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 156:sc= 0.294 USER MOD Set 1.2: A 60 CYS SG : rot -124:sc= -1.04 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -3.2 K(o=-6.6,f=-7.2) USER MOD Set 1.4: A 78 HIS : no HD1:sc= -2.7! K(o=-6.6!,f=-7.5) USER MOD Set 2.1: A 52 GLN : amide:sc= 0.754 K(o=0.61,f=-11!) USER MOD Set 2.2: A 56 LYS NZ :NH3+ -114:sc= -0.143 (180deg=-2.14!) USER MOD Set 3.1: A 27 CYS SG : rot 120:sc= 0.279 USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 30 CYS SG : rot -76:sc= -3.62! USER MOD Set 3.4: A 44 HIS : no HD1:sc= -6.55! C(o=-9.5!,f=-7.8!) USER MOD Set 3.5: A 48 CYS SG : rot 171:sc= 0.436 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.1) USER MOD Single : A 20 HIS : no HD1:sc= -2.84 X(o=-2.8,f=-2.8!) USER MOD Single : A 31 ASN : amide:sc= -4.73! C(o=-4.7!,f=-5.8!) USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.798 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 10:sc= 0.785 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0.0348 (180deg=0.0333) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -123:sc= -5.71! (180deg=-6.55!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 143:sc= -3.16 (180deg=-5.31!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= -0.927 (180deg=-2.03!) USER MOD Single : A 63 GLN : amide:sc= -4.58! C(o=-4.6!,f=-3.1!) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc=-0.00549 (180deg=-0.142) USER MOD Single : A 66 SER OG : rot 34:sc= 0.639 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.26) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -4.036 16.744 -7.095 1.00 0.00 N ATOM 95 CA PRO A 11 -4.323 16.382 -8.486 1.00 0.00 C ATOM 96 C PRO A 11 -3.055 16.208 -9.314 1.00 0.00 C ATOM 97 O PRO A 11 -2.896 15.214 -10.022 1.00 0.00 O ATOM 98 CB PRO A 11 -5.139 17.570 -9.001 1.00 0.00 C ATOM 99 CG PRO A 11 -4.724 18.715 -8.143 1.00 0.00 C ATOM 100 CD PRO A 11 -4.425 18.131 -6.790 1.00 0.00 C ATOM 0 HA PRO A 11 -4.843 15.427 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.931 17.767 -10.053 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.209 17.381 -8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.847 19.214 -8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.515 19.462 -8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.623 18.672 -6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.295 18.169 -6.135 1.00 0.00 H new ATOM 108 N GLU A 12 -2.154 17.181 -9.220 1.00 0.00 N ATOM 109 CA GLU A 12 -0.899 17.135 -9.961 1.00 0.00 C ATOM 110 C GLU A 12 0.277 17.513 -9.065 1.00 0.00 C ATOM 111 O GLU A 12 0.771 18.639 -9.115 1.00 0.00 O ATOM 112 CB GLU A 12 -0.958 18.074 -11.167 1.00 0.00 C ATOM 113 CG GLU A 12 -2.053 17.722 -12.160 1.00 0.00 C ATOM 114 CD GLU A 12 -3.359 18.434 -11.866 1.00 0.00 C ATOM 115 OE1 GLU A 12 -3.324 19.477 -11.180 1.00 0.00 O ATOM 116 OE2 GLU A 12 -4.416 17.949 -12.321 1.00 0.00 O ATOM 0 H GLU A 12 -2.270 18.011 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.752 16.114 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.112 19.094 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.004 18.055 -11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.722 17.979 -13.166 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.219 16.645 -12.145 1.00 0.00 H new ATOM 123 N GLU A 13 0.719 16.563 -8.246 1.00 0.00 N ATOM 124 CA GLU A 13 1.835 16.798 -7.338 1.00 0.00 C ATOM 125 C GLU A 13 3.157 16.394 -7.985 1.00 0.00 C ATOM 126 O GLU A 13 4.028 17.232 -8.215 1.00 0.00 O ATOM 127 CB GLU A 13 1.634 16.021 -6.036 1.00 0.00 C ATOM 128 CG GLU A 13 2.773 16.189 -5.044 1.00 0.00 C ATOM 129 CD GLU A 13 2.723 15.172 -3.920 1.00 0.00 C ATOM 130 OE1 GLU A 13 2.958 13.976 -4.192 1.00 0.00 O ATOM 131 OE2 GLU A 13 2.450 15.573 -2.770 1.00 0.00 O ATOM 0 H GLU A 13 0.322 15.625 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 13 1.870 17.864 -7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.705 16.347 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.519 14.962 -6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.724 16.098 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.737 17.193 -4.622 1.00 0.00 H new ATOM 138 N GLN A 14 3.297 15.104 -8.275 1.00 0.00 N ATOM 139 CA GLN A 14 4.512 14.588 -8.894 1.00 0.00 C ATOM 140 C GLN A 14 4.506 14.840 -10.398 1.00 0.00 C ATOM 141 O GLN A 14 5.561 14.962 -11.021 1.00 0.00 O ATOM 142 CB GLN A 14 4.656 13.091 -8.616 1.00 0.00 C ATOM 143 CG GLN A 14 4.979 12.769 -7.166 1.00 0.00 C ATOM 144 CD GLN A 14 5.313 11.306 -6.954 1.00 0.00 C ATOM 145 OE1 GLN A 14 6.475 10.943 -6.770 1.00 0.00 O ATOM 146 NE2 GLN A 14 4.292 10.456 -6.978 1.00 0.00 N ATOM 0 H GLN A 14 2.584 14.398 -8.091 1.00 0.00 H new ATOM 0 HA GLN A 14 5.362 15.114 -8.459 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.730 12.588 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.442 12.686 -9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.820 13.381 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.128 13.038 -6.540 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.345 10.801 -7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.455 9.459 -6.841 1.00 0.00 H new ATOM 155 N TRP A 15 3.312 14.918 -10.975 1.00 0.00 N ATOM 156 CA TRP A 15 3.170 15.155 -12.407 1.00 0.00 C ATOM 157 C TRP A 15 3.388 16.627 -12.739 1.00 0.00 C ATOM 158 O TRP A 15 3.544 16.992 -13.904 1.00 0.00 O ATOM 159 CB TRP A 15 1.785 14.712 -12.883 1.00 0.00 C ATOM 160 CG TRP A 15 1.541 13.243 -12.715 1.00 0.00 C ATOM 161 CD1 TRP A 15 2.471 12.245 -12.782 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.285 12.607 -12.454 1.00 0.00 C ATOM 163 NE1 TRP A 15 1.869 11.026 -12.579 1.00 0.00 N ATOM 164 CE2 TRP A 15 0.528 11.221 -12.375 1.00 0.00 C ATOM 165 CE3 TRP A 15 -1.021 13.072 -12.279 1.00 0.00 C ATOM 166 CZ2 TRP A 15 -0.487 10.301 -12.128 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -2.027 12.157 -12.035 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.756 10.785 -11.960 1.00 0.00 C ATOM 0 H TRP A 15 2.429 14.821 -10.474 1.00 0.00 H new ATOM 0 HA TRP A 15 3.929 14.569 -12.924 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.025 15.265 -12.331 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.669 14.974 -13.935 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.525 12.392 -12.967 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.343 10.123 -12.580 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.240 14.128 -12.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.280 9.242 -12.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.040 12.506 -11.900 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.564 10.095 -11.766 1.00 0.00 H new ATOM 179 N GLN A 16 3.399 17.466 -11.709 1.00 0.00 N ATOM 180 CA GLN A 16 3.598 18.899 -11.894 1.00 0.00 C ATOM 181 C GLN A 16 4.998 19.315 -11.455 1.00 0.00 C ATOM 182 O GLN A 16 5.722 19.976 -12.199 1.00 0.00 O ATOM 183 CB GLN A 16 2.549 19.687 -11.108 1.00 0.00 C ATOM 184 CG GLN A 16 2.731 21.194 -11.191 1.00 0.00 C ATOM 185 CD GLN A 16 2.895 21.684 -12.616 1.00 0.00 C ATOM 186 OE1 GLN A 16 3.939 22.225 -12.982 1.00 0.00 O ATOM 187 NE2 GLN A 16 1.862 21.497 -13.429 1.00 0.00 N ATOM 0 H GLN A 16 3.273 17.179 -10.738 1.00 0.00 H new ATOM 0 HA GLN A 16 3.489 19.121 -12.955 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.558 19.428 -11.481 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.586 19.382 -10.062 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.870 21.686 -10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.606 21.483 -10.608 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.016 21.044 -13.083 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.914 21.806 -14.400 1.00 0.00 H new ATOM 196 N ARG A 17 5.373 18.923 -10.241 1.00 0.00 N ATOM 197 CA ARG A 17 6.686 19.257 -9.702 1.00 0.00 C ATOM 198 C ARG A 17 7.778 19.007 -10.738 1.00 0.00 C ATOM 199 O ARG A 17 8.851 19.606 -10.680 1.00 0.00 O ATOM 200 CB ARG A 17 6.966 18.438 -8.441 1.00 0.00 C ATOM 201 CG ARG A 17 7.621 17.095 -8.720 1.00 0.00 C ATOM 202 CD ARG A 17 8.252 16.512 -7.466 1.00 0.00 C ATOM 203 NE ARG A 17 8.914 15.237 -7.728 1.00 0.00 N ATOM 204 CZ ARG A 17 9.904 14.756 -6.985 1.00 0.00 C ATOM 205 NH1 ARG A 17 10.345 15.440 -5.938 1.00 0.00 N ATOM 206 NH2 ARG A 17 10.455 13.587 -7.287 1.00 0.00 N ATOM 0 H ARG A 17 4.786 18.374 -9.613 1.00 0.00 H new ATOM 0 HA ARG A 17 6.688 20.317 -9.446 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.610 19.016 -7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.029 18.272 -7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.877 16.401 -9.111 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.383 17.214 -9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.976 17.220 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.484 16.372 -6.705 1.00 0.00 H new ATOM 0 HE ARG A 17 8.599 14.685 -8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.924 16.338 -5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.106 15.068 -5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.118 13.057 -8.091 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.215 13.219 -6.715 1.00 0.00 H new ATOM 220 N ALA A 18 7.496 18.117 -11.684 1.00 0.00 N ATOM 221 CA ALA A 18 8.454 17.789 -12.733 1.00 0.00 C ATOM 222 C ALA A 18 8.264 18.687 -13.951 1.00 0.00 C ATOM 223 O ALA A 18 9.223 19.005 -14.655 1.00 0.00 O ATOM 224 CB ALA A 18 8.322 16.325 -13.128 1.00 0.00 C ATOM 0 H ALA A 18 6.613 17.611 -11.746 1.00 0.00 H new ATOM 0 HA ALA A 18 9.457 17.960 -12.342 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.043 16.093 -13.912 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.515 15.695 -12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.313 16.137 -13.496 1.00 0.00 H new ATOM 230 N ILE A 19 7.021 19.091 -14.194 1.00 0.00 N ATOM 231 CA ILE A 19 6.707 19.952 -15.326 1.00 0.00 C ATOM 232 C ILE A 19 7.458 21.277 -15.235 1.00 0.00 C ATOM 233 O ILE A 19 7.961 21.788 -16.237 1.00 0.00 O ATOM 234 CB ILE A 19 5.196 20.237 -15.415 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.442 18.979 -15.852 1.00 0.00 C ATOM 236 CG2 ILE A 19 4.928 21.384 -16.378 1.00 0.00 C ATOM 237 CD1 ILE A 19 2.946 19.070 -15.649 1.00 0.00 C ATOM 0 H ILE A 19 6.216 18.835 -13.622 1.00 0.00 H new ATOM 0 HA ILE A 19 7.022 19.419 -16.223 1.00 0.00 H new ATOM 0 HB ILE A 19 4.838 20.527 -14.427 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.647 18.790 -16.906 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.825 18.124 -15.295 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.856 21.573 -16.430 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.438 22.281 -16.026 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.298 21.121 -17.369 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.477 18.144 -15.980 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.731 19.228 -14.592 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.550 19.904 -16.228 1.00 0.00 H new ATOM 249 N HIS A 20 7.532 21.827 -14.028 1.00 0.00 N ATOM 250 CA HIS A 20 8.224 23.091 -13.805 1.00 0.00 C ATOM 251 C HIS A 20 9.719 22.864 -13.601 1.00 0.00 C ATOM 252 O HIS A 20 10.541 23.686 -14.004 1.00 0.00 O ATOM 253 CB HIS A 20 7.636 23.812 -12.591 1.00 0.00 C ATOM 254 CG HIS A 20 8.342 23.497 -11.308 1.00 0.00 C ATOM 255 ND1 HIS A 20 9.237 24.359 -10.711 1.00 0.00 N ATOM 256 CD2 HIS A 20 8.278 22.408 -10.507 1.00 0.00 C ATOM 257 CE1 HIS A 20 9.695 23.813 -9.598 1.00 0.00 C ATOM 258 NE2 HIS A 20 9.128 22.629 -9.451 1.00 0.00 N ATOM 0 H HIS A 20 7.121 21.417 -13.189 1.00 0.00 H new ATOM 0 HA HIS A 20 8.086 23.713 -14.690 1.00 0.00 H new ATOM 0 HB2 HIS A 20 7.675 24.888 -12.763 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.584 23.543 -12.493 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.672 21.529 -10.668 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.411 24.259 -8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.294 21.984 -8.679 1.00 0.00 H new ATOM 266 N GLU A 21 10.062 21.743 -12.974 1.00 0.00 N ATOM 267 CA GLU A 21 11.458 21.409 -12.716 1.00 0.00 C ATOM 268 C GLU A 21 12.182 21.059 -14.013 1.00 0.00 C ATOM 269 O GLU A 21 13.178 21.688 -14.369 1.00 0.00 O ATOM 270 CB GLU A 21 11.553 20.240 -11.734 1.00 0.00 C ATOM 271 CG GLU A 21 11.587 20.669 -10.277 1.00 0.00 C ATOM 272 CD GLU A 21 12.243 19.637 -9.380 1.00 0.00 C ATOM 273 OE1 GLU A 21 11.596 18.609 -9.088 1.00 0.00 O ATOM 274 OE2 GLU A 21 13.402 19.857 -8.970 1.00 0.00 O ATOM 0 H GLU A 21 9.393 21.051 -12.636 1.00 0.00 H new ATOM 0 HA GLU A 21 11.939 22.283 -12.276 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.702 19.577 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.451 19.663 -11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.125 21.613 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.569 20.851 -9.932 1.00 0.00 H new ATOM 281 N ARG A 22 11.674 20.051 -14.714 1.00 0.00 N ATOM 282 CA ARG A 22 12.272 19.616 -15.970 1.00 0.00 C ATOM 283 C ARG A 22 11.544 20.231 -17.161 1.00 0.00 C ATOM 284 O ARG A 22 12.073 21.110 -17.839 1.00 0.00 O ATOM 285 CB ARG A 22 12.242 18.090 -16.072 1.00 0.00 C ATOM 286 CG ARG A 22 13.422 17.411 -15.398 1.00 0.00 C ATOM 287 CD ARG A 22 13.151 15.934 -15.154 1.00 0.00 C ATOM 288 NE ARG A 22 12.313 15.718 -13.978 1.00 0.00 N ATOM 289 CZ ARG A 22 11.893 14.521 -13.584 1.00 0.00 C ATOM 290 NH1 ARG A 22 12.231 13.438 -14.270 1.00 0.00 N ATOM 291 NH2 ARG A 22 11.133 14.406 -12.503 1.00 0.00 N ATOM 0 H ARG A 22 10.849 19.520 -14.433 1.00 0.00 H new ATOM 0 HA ARG A 22 13.308 19.954 -15.986 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.318 17.723 -15.625 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.222 17.805 -17.124 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.310 17.521 -16.020 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.634 17.905 -14.450 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.664 15.505 -16.030 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.097 15.408 -15.026 1.00 0.00 H new ATOM 0 HE ARG A 22 12.035 16.531 -13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.815 13.523 -15.102 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.907 12.520 -13.966 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.870 15.237 -11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.811 13.486 -12.201 1.00 0.00 H new ATOM 305 N GLY A 23 10.325 19.760 -17.411 1.00 0.00 N ATOM 306 CA GLY A 23 9.544 20.274 -18.521 1.00 0.00 C ATOM 307 C GLY A 23 8.127 19.737 -18.530 1.00 0.00 C ATOM 308 O GLY A 23 7.173 20.482 -18.309 1.00 0.00 O ATOM 0 H GLY A 23 9.865 19.032 -16.864 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.517 21.362 -18.469 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.035 20.012 -19.459 1.00 0.00 H new ATOM 312 N GLU A 24 7.989 18.440 -18.790 1.00 0.00 N ATOM 313 CA GLU A 24 6.677 17.805 -18.830 1.00 0.00 C ATOM 314 C GLU A 24 6.701 16.461 -18.109 1.00 0.00 C ATOM 315 O GLU A 24 7.764 15.956 -17.750 1.00 0.00 O ATOM 316 CB GLU A 24 6.224 17.611 -20.279 1.00 0.00 C ATOM 317 CG GLU A 24 7.108 16.663 -21.071 1.00 0.00 C ATOM 318 CD GLU A 24 6.740 16.615 -22.541 1.00 0.00 C ATOM 319 OE1 GLU A 24 6.428 17.682 -23.110 1.00 0.00 O ATOM 320 OE2 GLU A 24 6.763 15.510 -23.123 1.00 0.00 O ATOM 0 H GLU A 24 8.769 17.810 -18.976 1.00 0.00 H new ATOM 0 HA GLU A 24 5.969 18.459 -18.320 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.202 17.231 -20.284 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.206 18.580 -20.778 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.148 16.973 -20.970 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.031 15.661 -20.648 1.00 0.00 H new ATOM 327 N ALA A 25 5.521 15.887 -17.900 1.00 0.00 N ATOM 328 CA ALA A 25 5.405 14.601 -17.224 1.00 0.00 C ATOM 329 C ALA A 25 4.748 13.563 -18.126 1.00 0.00 C ATOM 330 O ALA A 25 3.529 13.390 -18.106 1.00 0.00 O ATOM 331 CB ALA A 25 4.618 14.753 -15.931 1.00 0.00 C ATOM 0 H ALA A 25 4.631 16.293 -18.189 1.00 0.00 H new ATOM 0 HA ALA A 25 6.410 14.253 -16.986 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.539 13.785 -15.437 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.131 15.455 -15.274 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.619 15.128 -16.155 1.00 0.00 H new ATOM 337 N VAL A 26 5.562 12.873 -18.919 1.00 0.00 N ATOM 338 CA VAL A 26 5.059 11.852 -19.829 1.00 0.00 C ATOM 339 C VAL A 26 4.474 10.671 -19.062 1.00 0.00 C ATOM 340 O VAL A 26 4.529 10.628 -17.832 1.00 0.00 O ATOM 341 CB VAL A 26 6.168 11.341 -20.768 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.813 12.499 -21.513 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.209 10.556 -19.983 1.00 0.00 C ATOM 0 H VAL A 26 6.573 13.003 -18.949 1.00 0.00 H new ATOM 0 HA VAL A 26 4.275 12.319 -20.425 1.00 0.00 H new ATOM 0 HB VAL A 26 5.719 10.673 -21.503 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.594 12.118 -22.171 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.058 13.016 -22.106 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.250 13.194 -20.796 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.985 10.202 -20.661 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.655 11.200 -19.225 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.733 9.703 -19.500 1.00 0.00 H new ATOM 353 N CYS A 27 3.915 9.715 -19.795 1.00 0.00 N ATOM 354 CA CYS A 27 3.319 8.533 -19.184 1.00 0.00 C ATOM 355 C CYS A 27 4.396 7.615 -18.612 1.00 0.00 C ATOM 356 O CYS A 27 5.330 7.208 -19.302 1.00 0.00 O ATOM 357 CB CYS A 27 2.477 7.772 -20.210 1.00 0.00 C ATOM 358 SG CYS A 27 1.703 6.256 -19.561 1.00 0.00 S ATOM 0 H CYS A 27 3.862 9.735 -20.813 1.00 0.00 H new ATOM 0 HA CYS A 27 2.675 8.862 -18.368 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.696 8.433 -20.585 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.108 7.510 -21.059 1.00 0.00 H new ATOM 0 HG CYS A 27 0.411 6.349 -19.666 1.00 0.00 H new ATOM 363 N PRO A 28 4.262 7.280 -17.320 1.00 0.00 N ATOM 364 CA PRO A 28 5.213 6.406 -16.627 1.00 0.00 C ATOM 365 C PRO A 28 5.133 4.962 -17.110 1.00 0.00 C ATOM 366 O PRO A 28 5.786 4.075 -16.561 1.00 0.00 O ATOM 367 CB PRO A 28 4.781 6.504 -15.161 1.00 0.00 C ATOM 368 CG PRO A 28 3.337 6.867 -15.215 1.00 0.00 C ATOM 369 CD PRO A 28 3.172 7.728 -16.437 1.00 0.00 C ATOM 0 HA PRO A 28 6.246 6.707 -16.803 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.932 5.559 -14.640 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.359 7.258 -14.627 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.713 5.976 -15.278 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.036 7.404 -14.316 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.196 7.586 -16.900 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.259 8.788 -16.197 1.00 0.00 H new ATOM 377 N THR A 29 4.327 4.733 -18.143 1.00 0.00 N ATOM 378 CA THR A 29 4.161 3.396 -18.700 1.00 0.00 C ATOM 379 C THR A 29 4.790 3.296 -20.085 1.00 0.00 C ATOM 380 O THR A 29 5.637 2.438 -20.333 1.00 0.00 O ATOM 381 CB THR A 29 2.674 3.008 -18.795 1.00 0.00 C ATOM 382 OG1 THR A 29 2.024 3.250 -17.542 1.00 0.00 O ATOM 383 CG2 THR A 29 2.520 1.544 -19.178 1.00 0.00 C ATOM 0 H THR A 29 3.780 5.456 -18.610 1.00 0.00 H new ATOM 0 HA THR A 29 4.666 2.707 -18.024 1.00 0.00 H new ATOM 0 HB THR A 29 2.210 3.620 -19.569 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.078 3.002 -17.611 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.461 1.293 -19.239 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.990 1.370 -20.146 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.998 0.918 -18.424 1.00 0.00 H new ATOM 391 N CYS A 30 4.371 4.180 -20.986 1.00 0.00 N ATOM 392 CA CYS A 30 4.893 4.191 -22.347 1.00 0.00 C ATOM 393 C CYS A 30 5.435 5.571 -22.709 1.00 0.00 C ATOM 394 O CYS A 30 5.860 5.805 -23.840 1.00 0.00 O ATOM 395 CB CYS A 30 3.801 3.783 -23.338 1.00 0.00 C ATOM 396 SG CYS A 30 2.134 4.362 -22.886 1.00 0.00 S ATOM 0 H CYS A 30 3.671 4.898 -20.797 1.00 0.00 H new ATOM 0 HA CYS A 30 5.711 3.472 -22.403 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.055 4.174 -24.323 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.787 2.696 -23.420 1.00 0.00 H new ATOM 0 HG CYS A 30 1.664 3.624 -21.924 1.00 0.00 H new ATOM 401 N ASN A 31 5.417 6.481 -21.741 1.00 0.00 N ATOM 402 CA ASN A 31 5.906 7.838 -21.958 1.00 0.00 C ATOM 403 C ASN A 31 5.365 8.408 -23.266 1.00 0.00 C ATOM 404 O ASN A 31 6.095 9.045 -24.027 1.00 0.00 O ATOM 405 CB ASN A 31 7.435 7.854 -21.975 1.00 0.00 C ATOM 406 CG ASN A 31 8.014 6.835 -22.937 1.00 0.00 C ATOM 407 OD1 ASN A 31 8.112 5.650 -22.618 1.00 0.00 O ATOM 408 ND2 ASN A 31 8.401 7.292 -24.122 1.00 0.00 N ATOM 0 H ASN A 31 5.069 6.304 -20.799 1.00 0.00 H new ATOM 0 HA ASN A 31 5.552 8.461 -21.137 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.782 8.849 -22.252 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.809 7.655 -20.971 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.798 6.653 -24.810 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.301 8.283 -24.344 1.00 0.00 H new ATOM 415 N VAL A 32 4.081 8.177 -23.520 1.00 0.00 N ATOM 416 CA VAL A 32 3.442 8.668 -24.735 1.00 0.00 C ATOM 417 C VAL A 32 2.065 9.251 -24.434 1.00 0.00 C ATOM 418 O VAL A 32 1.101 8.516 -24.222 1.00 0.00 O ATOM 419 CB VAL A 32 3.296 7.551 -25.785 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.662 7.025 -26.199 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.424 6.426 -25.247 1.00 0.00 C ATOM 0 H VAL A 32 3.463 7.653 -22.901 1.00 0.00 H new ATOM 0 HA VAL A 32 4.086 9.451 -25.137 1.00 0.00 H new ATOM 0 HB VAL A 32 2.811 7.967 -26.668 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.539 6.236 -26.941 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.250 7.837 -26.626 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.177 6.624 -25.326 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.331 5.645 -26.002 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.880 6.010 -24.349 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.435 6.816 -25.005 1.00 0.00 H new ATOM 431 N VAL A 33 1.981 10.577 -24.418 1.00 0.00 N ATOM 432 CA VAL A 33 0.722 11.260 -24.145 1.00 0.00 C ATOM 433 C VAL A 33 0.736 12.681 -24.698 1.00 0.00 C ATOM 434 O VAL A 33 1.695 13.097 -25.349 1.00 0.00 O ATOM 435 CB VAL A 33 0.427 11.311 -22.634 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.496 10.172 -22.231 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.723 11.266 -21.838 1.00 0.00 C ATOM 0 H VAL A 33 2.770 11.200 -24.591 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.062 10.688 -24.641 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.078 12.251 -22.411 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.693 10.225 -21.160 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.436 10.255 -22.777 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.022 9.219 -22.466 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.497 11.303 -20.772 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.257 10.343 -22.064 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.345 12.120 -22.107 1.00 0.00 H new ATOM 447 N THR A 34 -0.335 13.423 -24.434 1.00 0.00 N ATOM 448 CA THR A 34 -0.447 14.798 -24.905 1.00 0.00 C ATOM 449 C THR A 34 0.862 15.554 -24.711 1.00 0.00 C ATOM 450 O THR A 34 1.743 15.110 -23.974 1.00 0.00 O ATOM 451 CB THR A 34 -1.575 15.552 -24.174 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.778 14.776 -24.197 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.826 16.906 -24.819 1.00 0.00 C ATOM 0 H THR A 34 -1.137 13.095 -23.896 1.00 0.00 H new ATOM 0 HA THR A 34 -0.681 14.750 -25.968 1.00 0.00 H new ATOM 0 HB THR A 34 -1.266 15.711 -23.141 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.554 15.375 -24.189 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.626 17.420 -24.286 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.916 17.505 -24.773 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.116 16.765 -25.860 1.00 0.00 H new ATOM 461 N ARG A 35 0.984 16.697 -25.378 1.00 0.00 N ATOM 462 CA ARG A 35 2.187 17.514 -25.279 1.00 0.00 C ATOM 463 C ARG A 35 2.364 18.054 -23.862 1.00 0.00 C ATOM 464 O ARG A 35 3.463 18.029 -23.309 1.00 0.00 O ATOM 465 CB ARG A 35 2.124 18.675 -26.274 1.00 0.00 C ATOM 466 CG ARG A 35 3.491 19.187 -26.699 1.00 0.00 C ATOM 467 CD ARG A 35 4.204 18.190 -27.599 1.00 0.00 C ATOM 468 NE ARG A 35 3.494 17.983 -28.858 1.00 0.00 N ATOM 469 CZ ARG A 35 3.979 17.266 -29.866 1.00 0.00 C ATOM 470 NH1 ARG A 35 5.168 16.690 -29.762 1.00 0.00 N ATOM 471 NH2 ARG A 35 3.273 17.124 -30.981 1.00 0.00 N ATOM 0 H ARG A 35 0.265 17.078 -25.993 1.00 0.00 H new ATOM 0 HA ARG A 35 3.044 16.884 -25.519 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.574 18.355 -27.159 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.561 19.495 -25.828 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.378 20.136 -27.223 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.099 19.381 -25.815 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.213 18.546 -27.806 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.303 17.238 -27.078 1.00 0.00 H new ATOM 0 HE ARG A 35 2.576 18.412 -28.970 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.713 16.797 -28.907 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.538 16.140 -30.537 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.357 17.566 -31.065 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.646 16.573 -31.754 1.00 0.00 H new ATOM 485 N LYS A 36 1.273 18.542 -23.281 1.00 0.00 N ATOM 486 CA LYS A 36 1.306 19.087 -21.929 1.00 0.00 C ATOM 487 C LYS A 36 1.295 17.969 -20.891 1.00 0.00 C ATOM 488 O LYS A 36 1.711 18.164 -19.748 1.00 0.00 O ATOM 489 CB LYS A 36 0.112 20.017 -21.703 1.00 0.00 C ATOM 490 CG LYS A 36 0.391 21.465 -22.071 1.00 0.00 C ATOM 491 CD LYS A 36 1.385 22.101 -21.114 1.00 0.00 C ATOM 492 CE LYS A 36 1.703 23.534 -21.511 1.00 0.00 C ATOM 493 NZ LYS A 36 2.640 23.594 -22.667 1.00 0.00 N ATOM 0 H LYS A 36 0.355 18.571 -23.725 1.00 0.00 H new ATOM 0 HA LYS A 36 2.229 19.655 -21.816 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.734 19.658 -22.290 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.183 19.968 -20.655 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.781 21.515 -23.088 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.541 22.031 -22.059 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.979 22.084 -20.102 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.303 21.514 -21.099 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.779 24.054 -21.765 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.141 24.058 -20.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.832 24.588 -22.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.531 23.120 -22.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.212 23.116 -23.486 1.00 0.00 H new ATOM 507 N THR A 37 0.818 16.796 -21.296 1.00 0.00 N ATOM 508 CA THR A 37 0.753 15.647 -20.402 1.00 0.00 C ATOM 509 C THR A 37 0.118 16.023 -19.068 1.00 0.00 C ATOM 510 O THR A 37 0.654 15.713 -18.004 1.00 0.00 O ATOM 511 CB THR A 37 2.153 15.058 -20.142 1.00 0.00 C ATOM 512 OG1 THR A 37 2.967 16.014 -19.454 1.00 0.00 O ATOM 513 CG2 THR A 37 2.824 14.661 -21.449 1.00 0.00 C ATOM 0 H THR A 37 0.471 16.617 -22.238 1.00 0.00 H new ATOM 0 HA THR A 37 0.136 14.897 -20.897 1.00 0.00 H new ATOM 0 HB THR A 37 2.039 14.167 -19.524 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.412 16.768 -19.165 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.811 14.248 -21.241 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.217 13.912 -21.957 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.926 15.539 -22.087 1.00 0.00 H new ATOM 521 N LEU A 38 -1.028 16.692 -19.133 1.00 0.00 N ATOM 522 CA LEU A 38 -1.739 17.110 -17.929 1.00 0.00 C ATOM 523 C LEU A 38 -3.210 16.715 -18.000 1.00 0.00 C ATOM 524 O LEU A 38 -3.731 16.056 -17.101 1.00 0.00 O ATOM 525 CB LEU A 38 -1.613 18.623 -17.739 1.00 0.00 C ATOM 526 CG LEU A 38 -1.596 19.118 -16.292 1.00 0.00 C ATOM 527 CD1 LEU A 38 -2.702 18.453 -15.487 1.00 0.00 C ATOM 528 CD2 LEU A 38 -0.239 18.856 -15.655 1.00 0.00 C ATOM 0 H LEU A 38 -1.485 16.957 -20.006 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.288 16.604 -17.076 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.696 18.955 -18.227 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.442 19.105 -18.257 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.773 20.194 -16.294 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.674 18.818 -14.460 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.669 18.691 -15.931 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.557 17.373 -15.493 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.245 19.215 -14.626 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.033 17.786 -15.665 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.534 19.380 -16.217 1.00 0.00 H new ATOM 540 N VAL A 39 -3.875 17.121 -19.077 1.00 0.00 N ATOM 541 CA VAL A 39 -5.286 16.807 -19.268 1.00 0.00 C ATOM 542 C VAL A 39 -5.460 15.452 -19.946 1.00 0.00 C ATOM 543 O VAL A 39 -6.346 14.677 -19.588 1.00 0.00 O ATOM 544 CB VAL A 39 -5.992 17.885 -20.112 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.008 19.215 -19.373 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.318 18.027 -21.468 1.00 0.00 C ATOM 0 H VAL A 39 -3.459 17.668 -19.831 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.740 16.776 -18.278 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.024 17.575 -20.276 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.511 19.965 -19.984 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.540 19.100 -18.429 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.985 19.534 -19.176 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.830 18.793 -22.050 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.276 18.314 -21.328 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.364 17.076 -21.999 1.00 0.00 H new ATOM 556 N GLY A 40 -4.608 15.174 -20.928 1.00 0.00 N ATOM 557 CA GLY A 40 -4.685 13.912 -21.641 1.00 0.00 C ATOM 558 C GLY A 40 -3.989 12.786 -20.902 1.00 0.00 C ATOM 559 O GLY A 40 -4.387 11.625 -21.007 1.00 0.00 O ATOM 0 H GLY A 40 -3.866 15.800 -21.242 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.731 13.649 -21.796 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.236 14.027 -22.627 1.00 0.00 H new ATOM 563 N LEU A 41 -2.946 13.127 -20.154 1.00 0.00 N ATOM 564 CA LEU A 41 -2.191 12.135 -19.396 1.00 0.00 C ATOM 565 C LEU A 41 -3.081 11.441 -18.370 1.00 0.00 C ATOM 566 O LEU A 41 -2.871 10.274 -18.038 1.00 0.00 O ATOM 567 CB LEU A 41 -1.004 12.797 -18.693 1.00 0.00 C ATOM 568 CG LEU A 41 -0.326 11.971 -17.600 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.721 11.046 -18.202 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.303 12.882 -16.555 1.00 0.00 C ATOM 0 H LEU A 41 -2.603 14.083 -20.056 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.820 11.385 -20.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.257 13.050 -19.445 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.344 13.735 -18.254 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.084 11.359 -17.111 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.193 10.466 -17.409 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.244 10.370 -18.912 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.477 11.639 -18.717 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.781 12.277 -15.785 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.048 13.520 -17.030 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.470 13.503 -16.101 1.00 0.00 H new ATOM 582 N LYS A 42 -4.078 12.165 -17.873 1.00 0.00 N ATOM 583 CA LYS A 42 -5.004 11.619 -16.888 1.00 0.00 C ATOM 584 C LYS A 42 -6.021 10.695 -17.551 1.00 0.00 C ATOM 585 O LYS A 42 -6.376 9.651 -17.003 1.00 0.00 O ATOM 586 CB LYS A 42 -5.728 12.751 -16.156 1.00 0.00 C ATOM 587 CG LYS A 42 -4.823 13.562 -15.244 1.00 0.00 C ATOM 588 CD LYS A 42 -5.457 14.891 -14.869 1.00 0.00 C ATOM 589 CE LYS A 42 -6.405 14.743 -13.688 1.00 0.00 C ATOM 590 NZ LYS A 42 -6.987 16.051 -13.277 1.00 0.00 N ATOM 0 H LYS A 42 -4.266 13.132 -18.137 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.428 11.039 -16.167 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.180 13.417 -16.891 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.541 12.329 -15.565 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.610 12.991 -14.340 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.869 13.740 -15.741 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.677 15.611 -14.622 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.000 15.291 -15.725 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.208 14.055 -13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.871 14.303 -12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.666 15.901 -12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.227 16.683 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.475 16.483 -14.087 1.00 0.00 H new ATOM 604 N LYS A 43 -6.485 11.085 -18.733 1.00 0.00 N ATOM 605 CA LYS A 43 -7.459 10.292 -19.472 1.00 0.00 C ATOM 606 C LYS A 43 -6.775 9.160 -20.233 1.00 0.00 C ATOM 607 O LYS A 43 -7.411 8.171 -20.599 1.00 0.00 O ATOM 608 CB LYS A 43 -8.236 11.179 -20.448 1.00 0.00 C ATOM 609 CG LYS A 43 -8.995 12.307 -19.772 1.00 0.00 C ATOM 610 CD LYS A 43 -9.790 13.125 -20.776 1.00 0.00 C ATOM 611 CE LYS A 43 -9.927 14.573 -20.331 1.00 0.00 C ATOM 612 NZ LYS A 43 -10.835 14.710 -19.159 1.00 0.00 N ATOM 0 H LYS A 43 -6.202 11.946 -19.200 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.154 9.856 -18.754 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.541 11.603 -21.173 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.940 10.561 -21.005 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.670 11.894 -19.022 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.293 12.955 -19.247 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.299 13.087 -21.748 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.780 12.687 -20.902 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.944 14.969 -20.077 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.308 15.172 -21.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.902 15.712 -18.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.780 14.355 -19.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.458 14.159 -18.362 1.00 0.00 H new ATOM 626 N HIS A 44 -5.475 9.311 -20.465 1.00 0.00 N ATOM 627 CA HIS A 44 -4.704 8.300 -21.180 1.00 0.00 C ATOM 628 C HIS A 44 -4.188 7.231 -20.221 1.00 0.00 C ATOM 629 O HIS A 44 -4.114 6.054 -20.571 1.00 0.00 O ATOM 630 CB HIS A 44 -3.531 8.949 -21.916 1.00 0.00 C ATOM 631 CG HIS A 44 -2.406 8.003 -22.202 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.152 7.493 -23.458 1.00 0.00 N ATOM 633 CD2 HIS A 44 -1.464 7.475 -21.386 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.103 6.692 -23.401 1.00 0.00 C ATOM 635 NE2 HIS A 44 -0.667 6.664 -22.155 1.00 0.00 N ATOM 0 H HIS A 44 -4.934 10.123 -20.169 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.362 7.824 -21.907 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.890 9.368 -22.856 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.154 9.780 -21.320 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.359 7.658 -20.327 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.675 6.152 -24.232 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.132 6.127 -21.819 1.00 0.00 H new ATOM 643 N MET A 45 -3.833 7.650 -19.011 1.00 0.00 N ATOM 644 CA MET A 45 -3.325 6.728 -18.002 1.00 0.00 C ATOM 645 C MET A 45 -4.443 5.842 -17.463 1.00 0.00 C ATOM 646 O MET A 45 -4.248 4.647 -17.242 1.00 0.00 O ATOM 647 CB MET A 45 -2.674 7.503 -16.854 1.00 0.00 C ATOM 648 CG MET A 45 -3.669 8.016 -15.826 1.00 0.00 C ATOM 649 SD MET A 45 -2.866 8.716 -14.371 1.00 0.00 S ATOM 650 CE MET A 45 -1.788 9.929 -15.130 1.00 0.00 C ATOM 0 H MET A 45 -3.888 8.622 -18.705 1.00 0.00 H new ATOM 0 HA MET A 45 -2.576 6.091 -18.472 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.950 6.858 -16.356 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.120 8.347 -17.265 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.303 8.774 -16.286 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.321 7.199 -15.518 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.756 9.732 -14.838 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.877 9.867 -16.215 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.074 10.927 -14.799 1.00 0.00 H new ATOM 660 N GLU A 46 -5.614 6.436 -17.253 1.00 0.00 N ATOM 661 CA GLU A 46 -6.763 5.699 -16.739 1.00 0.00 C ATOM 662 C GLU A 46 -7.043 4.465 -17.591 1.00 0.00 C ATOM 663 O GLU A 46 -7.565 3.464 -17.100 1.00 0.00 O ATOM 664 CB GLU A 46 -8.000 6.599 -16.703 1.00 0.00 C ATOM 665 CG GLU A 46 -8.717 6.701 -18.038 1.00 0.00 C ATOM 666 CD GLU A 46 -10.084 7.347 -17.918 1.00 0.00 C ATOM 667 OE1 GLU A 46 -10.142 8.571 -17.678 1.00 0.00 O ATOM 668 OE2 GLU A 46 -11.095 6.629 -18.064 1.00 0.00 O ATOM 0 H GLU A 46 -5.792 7.425 -17.431 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.530 5.374 -15.725 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.695 6.217 -15.955 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.703 7.598 -16.382 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.106 7.279 -18.731 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.827 5.704 -18.464 1.00 0.00 H new ATOM 675 N VAL A 47 -6.693 4.544 -18.871 1.00 0.00 N ATOM 676 CA VAL A 47 -6.905 3.434 -19.792 1.00 0.00 C ATOM 677 C VAL A 47 -5.596 2.717 -20.100 1.00 0.00 C ATOM 678 O VAL A 47 -5.574 1.504 -20.310 1.00 0.00 O ATOM 679 CB VAL A 47 -7.538 3.914 -21.112 1.00 0.00 C ATOM 680 CG1 VAL A 47 -8.893 4.555 -20.853 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.608 4.883 -21.827 1.00 0.00 C ATOM 0 H VAL A 47 -6.261 5.366 -19.294 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.588 2.741 -19.301 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.690 3.049 -21.757 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.324 4.888 -21.797 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.557 3.827 -20.387 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.770 5.410 -20.189 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.071 5.212 -22.757 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.422 5.747 -21.189 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.664 4.385 -22.048 1.00 0.00 H new ATOM 691 N CYS A 48 -4.504 3.474 -20.125 1.00 0.00 N ATOM 692 CA CYS A 48 -3.189 2.912 -20.407 1.00 0.00 C ATOM 693 C CYS A 48 -3.010 1.569 -19.706 1.00 0.00 C ATOM 694 O CYS A 48 -2.802 0.543 -20.353 1.00 0.00 O ATOM 695 CB CYS A 48 -2.092 3.882 -19.965 1.00 0.00 C ATOM 696 SG CYS A 48 -0.412 3.382 -20.464 1.00 0.00 S ATOM 0 H CYS A 48 -4.504 4.479 -19.953 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.112 2.753 -21.483 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.304 4.867 -20.380 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.123 3.979 -18.880 1.00 0.00 H new ATOM 0 HG CYS A 48 0.418 4.354 -20.228 1.00 0.00 H new ATOM 701 N GLN A 49 -3.092 1.585 -18.379 1.00 0.00 N ATOM 702 CA GLN A 49 -2.938 0.369 -17.590 1.00 0.00 C ATOM 703 C GLN A 49 -3.829 -0.746 -18.128 1.00 0.00 C ATOM 704 O GLN A 49 -3.428 -1.909 -18.176 1.00 0.00 O ATOM 705 CB GLN A 49 -3.272 0.642 -16.123 1.00 0.00 C ATOM 706 CG GLN A 49 -2.215 1.460 -15.400 1.00 0.00 C ATOM 707 CD GLN A 49 -2.797 2.323 -14.298 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.353 1.815 -13.324 1.00 0.00 O ATOM 709 NE2 GLN A 49 -2.673 3.637 -14.446 1.00 0.00 N ATOM 0 H GLN A 49 -3.264 2.426 -17.829 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.899 0.047 -17.665 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.226 1.167 -16.068 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.401 -0.309 -15.605 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.469 0.788 -14.975 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.698 2.095 -16.119 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.205 4.016 -15.269 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.046 4.268 -13.736 1.00 0.00 H new ATOM 718 N LYS A 50 -5.042 -0.383 -18.533 1.00 0.00 N ATOM 719 CA LYS A 50 -5.992 -1.351 -19.069 1.00 0.00 C ATOM 720 C LYS A 50 -5.558 -1.831 -20.450 1.00 0.00 C ATOM 721 O LYS A 50 -5.777 -2.988 -20.813 1.00 0.00 O ATOM 722 CB LYS A 50 -7.390 -0.734 -19.147 1.00 0.00 C ATOM 723 CG LYS A 50 -8.305 -1.427 -20.143 1.00 0.00 C ATOM 724 CD LYS A 50 -8.242 -0.767 -21.510 1.00 0.00 C ATOM 725 CE LYS A 50 -9.423 0.165 -21.735 1.00 0.00 C ATOM 726 NZ LYS A 50 -9.281 1.434 -20.968 1.00 0.00 N ATOM 0 H LYS A 50 -5.390 0.575 -18.500 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.017 -2.209 -18.397 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.849 -0.769 -18.159 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.300 0.317 -19.420 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.021 -2.476 -20.231 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.330 -1.404 -19.774 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.312 -0.206 -21.602 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.229 -1.534 -22.285 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.510 0.391 -22.798 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.344 -0.337 -21.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.652 2.224 -21.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.815 1.364 -20.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.277 1.601 -20.756 1.00 0.00 H new ATOM 740 N LEU A 51 -4.940 -0.938 -21.215 1.00 0.00 N ATOM 741 CA LEU A 51 -4.474 -1.272 -22.556 1.00 0.00 C ATOM 742 C LEU A 51 -3.243 -2.171 -22.497 1.00 0.00 C ATOM 743 O LEU A 51 -3.272 -3.309 -22.964 1.00 0.00 O ATOM 744 CB LEU A 51 -4.151 0.004 -23.337 1.00 0.00 C ATOM 745 CG LEU A 51 -5.305 0.616 -24.130 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.941 2.011 -24.614 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.678 -0.277 -25.305 1.00 0.00 C ATOM 0 H LEU A 51 -4.750 0.023 -20.930 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.271 -1.812 -23.067 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.782 0.752 -22.635 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.337 -0.213 -24.028 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.170 0.697 -23.471 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.775 2.430 -25.177 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.725 2.649 -23.757 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.062 1.956 -25.256 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.501 0.175 -25.858 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.817 -0.390 -25.964 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.983 -1.256 -24.935 1.00 0.00 H new ATOM 759 N GLN A 52 -2.165 -1.652 -21.918 1.00 0.00 N ATOM 760 CA GLN A 52 -0.925 -2.410 -21.796 1.00 0.00 C ATOM 761 C GLN A 52 -1.211 -3.883 -21.527 1.00 0.00 C ATOM 762 O GLN A 52 -0.439 -4.757 -21.921 1.00 0.00 O ATOM 763 CB GLN A 52 -0.058 -1.833 -20.675 1.00 0.00 C ATOM 764 CG GLN A 52 -0.616 -2.087 -19.284 1.00 0.00 C ATOM 765 CD GLN A 52 0.469 -2.185 -18.230 1.00 0.00 C ATOM 766 OE1 GLN A 52 1.636 -2.422 -18.543 1.00 0.00 O ATOM 767 NE2 GLN A 52 0.090 -2.003 -16.970 1.00 0.00 N ATOM 0 H GLN A 52 -2.125 -0.711 -21.526 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.386 -2.331 -22.740 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.941 -2.264 -20.741 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.048 -0.759 -20.825 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.303 -1.283 -19.020 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.195 -3.011 -19.292 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.888 -1.809 -16.755 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.777 -2.058 -16.218 1.00 0.00 H new ATOM 776 N ASP A 53 -2.325 -4.151 -20.855 1.00 0.00 N ATOM 777 CA ASP A 53 -2.714 -5.519 -20.534 1.00 0.00 C ATOM 778 C ASP A 53 -3.017 -6.310 -21.802 1.00 0.00 C ATOM 779 O ASP A 53 -2.496 -7.407 -22.001 1.00 0.00 O ATOM 780 CB ASP A 53 -3.935 -5.522 -19.612 1.00 0.00 C ATOM 781 CG ASP A 53 -4.688 -6.837 -19.653 1.00 0.00 C ATOM 782 OD1 ASP A 53 -4.066 -7.887 -19.386 1.00 0.00 O ATOM 783 OD2 ASP A 53 -5.900 -6.817 -19.952 1.00 0.00 O ATOM 0 H ASP A 53 -2.975 -3.439 -20.522 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.879 -5.996 -20.021 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.615 -5.322 -18.589 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.606 -4.713 -19.900 1.00 0.00 H new ATOM 788 N ALA A 54 -3.865 -5.746 -22.657 1.00 0.00 N ATOM 789 CA ALA A 54 -4.237 -6.398 -23.906 1.00 0.00 C ATOM 790 C ALA A 54 -3.001 -6.800 -24.705 1.00 0.00 C ATOM 791 O ALA A 54 -2.996 -7.826 -25.386 1.00 0.00 O ATOM 792 CB ALA A 54 -5.128 -5.483 -24.734 1.00 0.00 C ATOM 0 H ALA A 54 -4.307 -4.839 -22.507 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.791 -7.305 -23.663 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.398 -5.983 -25.664 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.032 -5.249 -24.172 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.593 -4.561 -24.960 1.00 0.00 H new ATOM 798 N LEU A 55 -1.955 -5.985 -24.617 1.00 0.00 N ATOM 799 CA LEU A 55 -0.713 -6.256 -25.333 1.00 0.00 C ATOM 800 C LEU A 55 0.394 -6.663 -24.366 1.00 0.00 C ATOM 801 O LEU A 55 1.550 -6.270 -24.527 1.00 0.00 O ATOM 802 CB LEU A 55 -0.282 -5.024 -26.130 1.00 0.00 C ATOM 803 CG LEU A 55 -1.032 -4.775 -27.439 1.00 0.00 C ATOM 804 CD1 LEU A 55 -1.094 -3.287 -27.745 1.00 0.00 C ATOM 805 CD2 LEU A 55 -0.372 -5.530 -28.584 1.00 0.00 C ATOM 0 H LEU A 55 -1.942 -5.132 -24.058 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.891 -7.082 -26.021 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.399 -4.146 -25.495 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.781 -5.115 -26.355 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.051 -5.144 -27.327 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.631 -3.130 -28.680 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.613 -2.771 -26.937 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.082 -2.892 -27.837 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.919 -5.341 -29.508 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.658 -5.192 -28.697 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.382 -6.598 -28.369 1.00 0.00 H new ATOM 817 N LYS A 56 0.034 -7.455 -23.362 1.00 0.00 N ATOM 818 CA LYS A 56 0.997 -7.920 -22.370 1.00 0.00 C ATOM 819 C LYS A 56 1.135 -9.438 -22.416 1.00 0.00 C ATOM 820 O LYS A 56 0.142 -10.164 -22.354 1.00 0.00 O ATOM 821 CB LYS A 56 0.570 -7.477 -20.969 1.00 0.00 C ATOM 822 CG LYS A 56 1.427 -8.062 -19.859 1.00 0.00 C ATOM 823 CD LYS A 56 1.508 -7.126 -18.665 1.00 0.00 C ATOM 824 CE LYS A 56 2.545 -6.034 -18.883 1.00 0.00 C ATOM 825 NZ LYS A 56 1.967 -4.852 -19.581 1.00 0.00 N ATOM 0 H LYS A 56 -0.918 -7.789 -23.213 1.00 0.00 H new ATOM 0 HA LYS A 56 1.966 -7.478 -22.604 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.610 -6.389 -20.913 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.468 -7.766 -20.806 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.012 -9.020 -19.544 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.430 -8.258 -20.238 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.532 -6.673 -18.489 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.760 -7.696 -17.771 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.954 -5.724 -17.921 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.374 -6.432 -19.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.402 -4.757 -20.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.940 -4.979 -19.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.155 -3.994 -19.024 1.00 0.00 H new ATOM 839 N CYS A 57 2.372 -9.912 -22.522 1.00 0.00 N ATOM 840 CA CYS A 57 2.640 -11.344 -22.574 1.00 0.00 C ATOM 841 C CYS A 57 2.404 -11.992 -21.213 1.00 0.00 C ATOM 842 O CYS A 57 2.023 -11.322 -20.254 1.00 0.00 O ATOM 843 CB CYS A 57 4.079 -11.599 -23.030 1.00 0.00 C ATOM 844 SG CYS A 57 4.307 -13.163 -23.934 1.00 0.00 S ATOM 0 H CYS A 57 3.205 -9.325 -22.574 1.00 0.00 H new ATOM 0 HA CYS A 57 1.953 -11.790 -23.293 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.398 -10.774 -23.667 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.731 -11.598 -22.156 1.00 0.00 H new ATOM 0 HG CYS A 57 5.357 -13.075 -24.695 1.00 0.00 H new ATOM 849 N GLN A 58 2.634 -13.299 -21.138 1.00 0.00 N ATOM 850 CA GLN A 58 2.445 -14.037 -19.895 1.00 0.00 C ATOM 851 C GLN A 58 3.698 -14.831 -19.538 1.00 0.00 C ATOM 852 O GLN A 58 4.220 -14.721 -18.428 1.00 0.00 O ATOM 853 CB GLN A 58 1.246 -14.980 -20.013 1.00 0.00 C ATOM 854 CG GLN A 58 1.073 -15.897 -18.813 1.00 0.00 C ATOM 855 CD GLN A 58 -0.275 -16.589 -18.797 1.00 0.00 C ATOM 856 OE1 GLN A 58 -0.645 -17.275 -19.751 1.00 0.00 O ATOM 857 NE2 GLN A 58 -1.019 -16.413 -17.712 1.00 0.00 N ATOM 0 H GLN A 58 2.951 -13.868 -21.923 1.00 0.00 H new ATOM 0 HA GLN A 58 2.254 -13.316 -19.100 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.340 -14.388 -20.141 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.359 -15.588 -20.911 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.863 -16.648 -18.818 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.190 -15.317 -17.898 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.674 -15.836 -16.945 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.936 -16.854 -17.645 1.00 0.00 H new ATOM 866 N HIS A 59 4.175 -15.631 -20.486 1.00 0.00 N ATOM 867 CA HIS A 59 5.368 -16.444 -20.271 1.00 0.00 C ATOM 868 C HIS A 59 6.548 -15.575 -19.847 1.00 0.00 C ATOM 869 O HIS A 59 7.303 -15.934 -18.943 1.00 0.00 O ATOM 870 CB HIS A 59 5.719 -17.217 -21.542 1.00 0.00 C ATOM 871 CG HIS A 59 4.768 -18.334 -21.846 1.00 0.00 C ATOM 872 ND1 HIS A 59 4.759 -19.525 -21.152 1.00 0.00 N ATOM 873 CD2 HIS A 59 3.789 -18.435 -22.776 1.00 0.00 C ATOM 874 CE1 HIS A 59 3.817 -20.311 -21.642 1.00 0.00 C ATOM 875 NE2 HIS A 59 3.213 -19.673 -22.628 1.00 0.00 N ATOM 0 H HIS A 59 3.755 -15.734 -21.410 1.00 0.00 H new ATOM 0 HA HIS A 59 5.156 -17.153 -19.471 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.736 -16.526 -22.385 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.725 -17.624 -21.443 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.513 -17.682 -23.499 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.581 -21.306 -21.295 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.444 -20.040 -23.188 1.00 0.00 H new ATOM 883 N CYS A 60 6.702 -14.432 -20.507 1.00 0.00 N ATOM 884 CA CYS A 60 7.791 -13.513 -20.200 1.00 0.00 C ATOM 885 C CYS A 60 7.284 -12.317 -19.399 1.00 0.00 C ATOM 886 O CYS A 60 8.052 -11.649 -18.708 1.00 0.00 O ATOM 887 CB CYS A 60 8.458 -13.031 -21.490 1.00 0.00 C ATOM 888 SG CYS A 60 7.493 -11.786 -22.406 1.00 0.00 S ATOM 0 H CYS A 60 6.086 -14.120 -21.258 1.00 0.00 H new ATOM 0 HA CYS A 60 8.525 -14.047 -19.597 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.434 -12.612 -21.247 1.00 0.00 H new ATOM 0 HB3 CYS A 60 8.632 -13.889 -22.139 1.00 0.00 H new ATOM 0 HG CYS A 60 7.293 -12.200 -23.622 1.00 0.00 H new ATOM 893 N ARG A 61 5.985 -12.053 -19.498 1.00 0.00 N ATOM 894 CA ARG A 61 5.375 -10.938 -18.785 1.00 0.00 C ATOM 895 C ARG A 61 6.049 -9.621 -19.157 1.00 0.00 C ATOM 896 O ARG A 61 6.483 -8.865 -18.287 1.00 0.00 O ATOM 897 CB ARG A 61 5.465 -11.161 -17.274 1.00 0.00 C ATOM 898 CG ARG A 61 4.255 -11.871 -16.689 1.00 0.00 C ATOM 899 CD ARG A 61 3.096 -10.911 -16.476 1.00 0.00 C ATOM 900 NE ARG A 61 3.351 -9.980 -15.380 1.00 0.00 N ATOM 901 CZ ARG A 61 3.142 -10.275 -14.101 1.00 0.00 C ATOM 902 NH1 ARG A 61 2.678 -11.469 -13.760 1.00 0.00 N ATOM 903 NH2 ARG A 61 3.398 -9.374 -13.161 1.00 0.00 N ATOM 0 H ARG A 61 5.335 -12.597 -20.066 1.00 0.00 H new ATOM 0 HA ARG A 61 4.326 -10.884 -19.075 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.359 -11.744 -17.054 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.584 -10.197 -16.780 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.945 -12.675 -17.357 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.526 -12.332 -15.739 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.916 -10.350 -17.393 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.189 -11.478 -16.266 1.00 0.00 H new ATOM 0 HE ARG A 61 3.709 -9.053 -15.609 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.480 -12.164 -14.480 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.519 -11.693 -12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.755 -8.454 -13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.237 -9.601 -12.180 1.00 0.00 H new ATOM 917 N LYS A 62 6.133 -9.351 -20.455 1.00 0.00 N ATOM 918 CA LYS A 62 6.753 -8.125 -20.944 1.00 0.00 C ATOM 919 C LYS A 62 5.752 -7.287 -21.732 1.00 0.00 C ATOM 920 O LYS A 62 4.835 -7.822 -22.355 1.00 0.00 O ATOM 921 CB LYS A 62 7.962 -8.456 -21.822 1.00 0.00 C ATOM 922 CG LYS A 62 8.598 -7.236 -22.464 1.00 0.00 C ATOM 923 CD LYS A 62 10.055 -7.487 -22.817 1.00 0.00 C ATOM 924 CE LYS A 62 10.971 -7.209 -21.635 1.00 0.00 C ATOM 925 NZ LYS A 62 10.945 -8.316 -20.640 1.00 0.00 N ATOM 0 H LYS A 62 5.779 -9.965 -21.188 1.00 0.00 H new ATOM 0 HA LYS A 62 7.086 -7.546 -20.082 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.710 -8.970 -21.218 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.653 -9.149 -22.605 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.045 -6.968 -23.365 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.529 -6.388 -21.783 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.179 -8.521 -23.140 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.341 -6.854 -23.657 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.991 -7.066 -21.992 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.669 -6.280 -21.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.854 -8.351 -20.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.177 -8.152 -19.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.785 -9.219 -21.130 1.00 0.00 H new ATOM 939 N GLN A 63 5.936 -5.971 -21.702 1.00 0.00 N ATOM 940 CA GLN A 63 5.049 -5.059 -22.415 1.00 0.00 C ATOM 941 C GLN A 63 5.466 -4.926 -23.876 1.00 0.00 C ATOM 942 O GLN A 63 6.656 -4.892 -24.193 1.00 0.00 O ATOM 943 CB GLN A 63 5.050 -3.684 -21.745 1.00 0.00 C ATOM 944 CG GLN A 63 3.815 -2.855 -22.056 1.00 0.00 C ATOM 945 CD GLN A 63 3.724 -2.469 -23.519 1.00 0.00 C ATOM 946 OE1 GLN A 63 4.622 -1.822 -24.059 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.636 -2.864 -24.170 1.00 0.00 N ATOM 0 H GLN A 63 6.691 -5.513 -21.192 1.00 0.00 H new ATOM 0 HA GLN A 63 4.041 -5.471 -22.380 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.127 -3.815 -20.666 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.936 -3.135 -22.063 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.924 -3.418 -21.777 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.825 -1.952 -21.446 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.916 -3.399 -23.683 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.520 -2.633 -25.157 1.00 0.00 H new ATOM 956 N PHE A 64 4.480 -4.851 -24.763 1.00 0.00 N ATOM 957 CA PHE A 64 4.744 -4.723 -26.192 1.00 0.00 C ATOM 958 C PHE A 64 3.911 -3.598 -26.800 1.00 0.00 C ATOM 959 O PHE A 64 2.682 -3.663 -26.823 1.00 0.00 O ATOM 960 CB PHE A 64 4.442 -6.041 -26.908 1.00 0.00 C ATOM 961 CG PHE A 64 5.535 -7.062 -26.769 1.00 0.00 C ATOM 962 CD1 PHE A 64 5.640 -7.831 -25.621 1.00 0.00 C ATOM 963 CD2 PHE A 64 6.457 -7.253 -27.786 1.00 0.00 C ATOM 964 CE1 PHE A 64 6.644 -8.772 -25.490 1.00 0.00 C ATOM 965 CE2 PHE A 64 7.462 -8.193 -27.660 1.00 0.00 C ATOM 966 CZ PHE A 64 7.557 -8.953 -26.511 1.00 0.00 C ATOM 0 H PHE A 64 3.490 -4.877 -24.518 1.00 0.00 H new ATOM 0 HA PHE A 64 5.799 -4.481 -26.321 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.515 -6.456 -26.512 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.275 -5.841 -27.966 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.929 -7.694 -24.820 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.389 -6.661 -28.687 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.715 -9.365 -24.590 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.173 -8.333 -28.460 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.343 -9.687 -26.411 1.00 0.00 H new ATOM 976 N LYS A 65 4.590 -2.567 -27.292 1.00 0.00 N ATOM 977 CA LYS A 65 3.916 -1.427 -27.902 1.00 0.00 C ATOM 978 C LYS A 65 3.704 -1.655 -29.395 1.00 0.00 C ATOM 979 O LYS A 65 3.768 -0.718 -30.191 1.00 0.00 O ATOM 980 CB LYS A 65 4.728 -0.149 -27.680 1.00 0.00 C ATOM 981 CG LYS A 65 3.933 1.124 -27.910 1.00 0.00 C ATOM 982 CD LYS A 65 3.279 1.612 -26.628 1.00 0.00 C ATOM 983 CE LYS A 65 1.828 1.165 -26.537 1.00 0.00 C ATOM 984 NZ LYS A 65 0.962 1.888 -27.509 1.00 0.00 N ATOM 0 H LYS A 65 5.608 -2.498 -27.280 1.00 0.00 H new ATOM 0 HA LYS A 65 2.941 -1.317 -27.427 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.115 -0.147 -26.661 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.589 -0.155 -28.348 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.591 1.899 -28.302 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.167 0.945 -28.665 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.832 1.233 -25.769 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.329 2.700 -26.584 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.766 0.093 -26.723 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.459 1.335 -25.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.032 1.808 -27.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.235 2.891 -27.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.077 1.470 -28.454 1.00 0.00 H new ATOM 998 N SER A 66 3.451 -2.906 -29.769 1.00 0.00 N ATOM 999 CA SER A 66 3.233 -3.256 -31.167 1.00 0.00 C ATOM 1000 C SER A 66 2.495 -4.586 -31.285 1.00 0.00 C ATOM 1001 O SER A 66 2.788 -5.539 -30.562 1.00 0.00 O ATOM 1002 CB SER A 66 4.568 -3.334 -31.910 1.00 0.00 C ATOM 1003 OG SER A 66 4.935 -2.069 -32.433 1.00 0.00 O ATOM 0 H SER A 66 3.392 -3.693 -29.123 1.00 0.00 H new ATOM 0 HA SER A 66 2.619 -2.477 -31.619 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.344 -3.690 -31.233 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.495 -4.059 -32.721 1.00 0.00 H new ATOM 0 HG SER A 66 4.636 -1.363 -31.823 1.00 0.00 H new ATOM 1009 N LYS A 67 1.534 -4.643 -32.200 1.00 0.00 N ATOM 1010 CA LYS A 67 0.752 -5.855 -32.416 1.00 0.00 C ATOM 1011 C LYS A 67 1.582 -6.918 -33.130 1.00 0.00 C ATOM 1012 O LYS A 67 1.740 -8.032 -32.632 1.00 0.00 O ATOM 1013 CB LYS A 67 -0.503 -5.539 -33.233 1.00 0.00 C ATOM 1014 CG LYS A 67 -1.669 -5.051 -32.391 1.00 0.00 C ATOM 1015 CD LYS A 67 -1.591 -3.553 -32.144 1.00 0.00 C ATOM 1016 CE LYS A 67 -2.560 -3.116 -31.056 1.00 0.00 C ATOM 1017 NZ LYS A 67 -3.977 -3.221 -31.501 1.00 0.00 N ATOM 0 H LYS A 67 1.277 -3.863 -32.805 1.00 0.00 H new ATOM 0 HA LYS A 67 0.455 -6.244 -31.442 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.261 -4.781 -33.977 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.807 -6.433 -33.777 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.606 -5.289 -32.893 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.676 -5.578 -31.437 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.575 -3.283 -31.857 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.814 -3.019 -33.068 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.411 -3.731 -30.169 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.345 -2.087 -30.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.606 -2.914 -30.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.126 -2.614 -32.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.190 -4.208 -31.750 1.00 0.00 H new ATOM 1031 N ALA A 68 2.109 -6.564 -34.297 1.00 0.00 N ATOM 1032 CA ALA A 68 2.926 -7.487 -35.077 1.00 0.00 C ATOM 1033 C ALA A 68 4.136 -7.958 -34.278 1.00 0.00 C ATOM 1034 O ALA A 68 4.595 -9.088 -34.438 1.00 0.00 O ATOM 1035 CB ALA A 68 3.370 -6.830 -36.375 1.00 0.00 C ATOM 0 H ALA A 68 1.985 -5.646 -34.723 1.00 0.00 H new ATOM 0 HA ALA A 68 2.319 -8.360 -35.314 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.979 -7.530 -36.947 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.494 -6.550 -36.959 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.956 -5.939 -36.150 1.00 0.00 H new ATOM 1041 N GLY A 69 4.650 -7.083 -33.419 1.00 0.00 N ATOM 1042 CA GLY A 69 5.803 -7.429 -32.609 1.00 0.00 C ATOM 1043 C GLY A 69 5.488 -8.490 -31.573 1.00 0.00 C ATOM 1044 O GLY A 69 6.263 -9.427 -31.378 1.00 0.00 O ATOM 0 H GLY A 69 4.288 -6.141 -33.270 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.604 -7.785 -33.257 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.172 -6.534 -32.107 1.00 0.00 H new ATOM 1048 N LEU A 70 4.349 -8.342 -30.906 1.00 0.00 N ATOM 1049 CA LEU A 70 3.933 -9.295 -29.882 1.00 0.00 C ATOM 1050 C LEU A 70 3.660 -10.665 -30.493 1.00 0.00 C ATOM 1051 O LEU A 70 4.053 -11.692 -29.940 1.00 0.00 O ATOM 1052 CB LEU A 70 2.683 -8.786 -29.162 1.00 0.00 C ATOM 1053 CG LEU A 70 2.065 -9.738 -28.137 1.00 0.00 C ATOM 1054 CD1 LEU A 70 2.903 -9.771 -26.868 1.00 0.00 C ATOM 1055 CD2 LEU A 70 0.634 -9.327 -27.823 1.00 0.00 C ATOM 0 H LEU A 70 3.697 -7.572 -31.055 1.00 0.00 H new ATOM 0 HA LEU A 70 4.745 -9.395 -29.161 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.933 -7.853 -28.657 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.927 -8.550 -29.911 1.00 0.00 H new ATOM 0 HG LEU A 70 2.048 -10.741 -28.564 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.449 -10.453 -26.150 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.910 -10.113 -27.106 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.951 -8.771 -26.438 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.210 -10.015 -27.092 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.627 -8.316 -27.416 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.039 -9.355 -28.736 1.00 0.00 H new ATOM 1067 N ASN A 71 2.985 -10.674 -31.638 1.00 0.00 N ATOM 1068 CA ASN A 71 2.661 -11.918 -32.325 1.00 0.00 C ATOM 1069 C ASN A 71 3.928 -12.688 -32.685 1.00 0.00 C ATOM 1070 O ASN A 71 4.060 -13.870 -32.369 1.00 0.00 O ATOM 1071 CB ASN A 71 1.850 -11.630 -33.590 1.00 0.00 C ATOM 1072 CG ASN A 71 0.538 -10.932 -33.289 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -0.250 -11.396 -32.465 1.00 0.00 O ATOM 1074 ND2 ASN A 71 0.297 -9.811 -33.959 1.00 0.00 N ATOM 0 H ASN A 71 2.652 -9.833 -32.109 1.00 0.00 H new ATOM 0 HA ASN A 71 2.064 -12.531 -31.650 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.441 -11.011 -34.264 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.649 -12.566 -34.111 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.570 -9.298 -33.800 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.979 -9.463 -34.633 1.00 0.00 H new ATOM 1081 N TYR A 72 4.859 -12.008 -33.346 1.00 0.00 N ATOM 1082 CA TYR A 72 6.115 -12.628 -33.750 1.00 0.00 C ATOM 1083 C TYR A 72 6.904 -13.102 -32.534 1.00 0.00 C ATOM 1084 O TYR A 72 7.421 -14.220 -32.512 1.00 0.00 O ATOM 1085 CB TYR A 72 6.955 -11.642 -34.564 1.00 0.00 C ATOM 1086 CG TYR A 72 8.077 -12.297 -35.338 1.00 0.00 C ATOM 1087 CD1 TYR A 72 7.807 -13.180 -36.377 1.00 0.00 C ATOM 1088 CD2 TYR A 72 9.406 -12.033 -35.032 1.00 0.00 C ATOM 1089 CE1 TYR A 72 8.828 -13.781 -37.086 1.00 0.00 C ATOM 1090 CE2 TYR A 72 10.434 -12.629 -35.737 1.00 0.00 C ATOM 1091 CZ TYR A 72 10.140 -13.503 -36.763 1.00 0.00 C ATOM 1092 OH TYR A 72 11.160 -14.099 -37.468 1.00 0.00 O ATOM 0 H TYR A 72 4.767 -11.028 -33.613 1.00 0.00 H new ATOM 0 HA TYR A 72 5.881 -13.494 -34.369 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.305 -11.113 -35.261 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.377 -10.895 -33.891 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.781 -13.400 -36.634 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.640 -11.350 -34.229 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.601 -14.466 -37.890 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.462 -12.412 -35.486 1.00 0.00 H new ATOM 0 HH TYR A 72 12.022 -13.795 -37.115 1.00 0.00 H new ATOM 1102 N HIS A 73 6.993 -12.245 -31.522 1.00 0.00 N ATOM 1103 CA HIS A 73 7.718 -12.575 -30.300 1.00 0.00 C ATOM 1104 C HIS A 73 7.099 -13.789 -29.614 1.00 0.00 C ATOM 1105 O HIS A 73 7.774 -14.792 -29.375 1.00 0.00 O ATOM 1106 CB HIS A 73 7.721 -11.381 -29.345 1.00 0.00 C ATOM 1107 CG HIS A 73 7.735 -11.771 -27.899 1.00 0.00 C ATOM 1108 ND1 HIS A 73 8.885 -11.802 -27.139 1.00 0.00 N ATOM 1109 CD2 HIS A 73 6.730 -12.146 -27.074 1.00 0.00 C ATOM 1110 CE1 HIS A 73 8.586 -12.181 -25.909 1.00 0.00 C ATOM 1111 NE2 HIS A 73 7.285 -12.396 -25.843 1.00 0.00 N ATOM 0 H HIS A 73 6.572 -11.316 -31.524 1.00 0.00 H new ATOM 0 HA HIS A 73 8.746 -12.816 -30.570 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.593 -10.761 -29.554 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.840 -10.769 -29.539 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.820 -11.569 -27.474 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.686 -12.233 -27.335 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.287 -12.296 -25.095 1.00 0.00 H new ATOM 1119 N THR A 74 5.812 -13.692 -29.297 1.00 0.00 N ATOM 1120 CA THR A 74 5.103 -14.781 -28.636 1.00 0.00 C ATOM 1121 C THR A 74 5.577 -16.136 -29.148 1.00 0.00 C ATOM 1122 O THR A 74 5.997 -16.992 -28.370 1.00 0.00 O ATOM 1123 CB THR A 74 3.581 -14.669 -28.845 1.00 0.00 C ATOM 1124 OG1 THR A 74 3.097 -13.448 -28.275 1.00 0.00 O ATOM 1125 CG2 THR A 74 2.860 -15.850 -28.213 1.00 0.00 C ATOM 0 H THR A 74 5.239 -12.870 -29.487 1.00 0.00 H new ATOM 0 HA THR A 74 5.323 -14.701 -27.571 1.00 0.00 H new ATOM 0 HB THR A 74 3.382 -14.673 -29.917 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.199 -12.721 -28.924 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.787 -15.749 -28.373 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.210 -16.776 -28.669 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.066 -15.872 -27.143 1.00 0.00 H new ATOM 1133 N MET A 75 5.506 -16.325 -30.462 1.00 0.00 N ATOM 1134 CA MET A 75 5.930 -17.577 -31.078 1.00 0.00 C ATOM 1135 C MET A 75 7.450 -17.704 -31.060 1.00 0.00 C ATOM 1136 O MET A 75 7.992 -18.727 -30.643 1.00 0.00 O ATOM 1137 CB MET A 75 5.416 -17.662 -32.516 1.00 0.00 C ATOM 1138 CG MET A 75 6.050 -18.784 -33.322 1.00 0.00 C ATOM 1139 SD MET A 75 5.015 -19.322 -34.697 1.00 0.00 S ATOM 1140 CE MET A 75 5.607 -18.251 -36.006 1.00 0.00 C ATOM 0 H MET A 75 5.159 -15.627 -31.120 1.00 0.00 H new ATOM 0 HA MET A 75 5.508 -18.399 -30.500 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.335 -17.803 -32.499 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.606 -16.713 -33.018 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.014 -18.450 -33.707 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.245 -19.632 -32.666 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.061 -18.464 -36.925 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.450 -17.210 -35.724 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.671 -18.427 -36.167 1.00 0.00 H new ATOM 1150 N ALA A 76 8.133 -16.659 -31.516 1.00 0.00 N ATOM 1151 CA ALA A 76 9.590 -16.653 -31.551 1.00 0.00 C ATOM 1152 C ALA A 76 10.172 -17.179 -30.243 1.00 0.00 C ATOM 1153 O ALA A 76 10.869 -18.193 -30.228 1.00 0.00 O ATOM 1154 CB ALA A 76 10.106 -15.251 -31.835 1.00 0.00 C ATOM 0 H ALA A 76 7.700 -15.805 -31.867 1.00 0.00 H new ATOM 0 HA ALA A 76 9.912 -17.315 -32.354 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.196 -15.262 -31.858 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.726 -14.912 -32.799 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.767 -14.573 -31.052 1.00 0.00 H new ATOM 1160 N GLU A 77 9.881 -16.482 -29.149 1.00 0.00 N ATOM 1161 CA GLU A 77 10.378 -16.880 -27.837 1.00 0.00 C ATOM 1162 C GLU A 77 9.553 -18.030 -27.268 1.00 0.00 C ATOM 1163 O GLU A 77 10.092 -19.077 -26.908 1.00 0.00 O ATOM 1164 CB GLU A 77 10.348 -15.691 -26.874 1.00 0.00 C ATOM 1165 CG GLU A 77 11.615 -14.852 -26.903 1.00 0.00 C ATOM 1166 CD GLU A 77 12.874 -15.696 -26.885 1.00 0.00 C ATOM 1167 OE1 GLU A 77 13.059 -16.468 -25.921 1.00 0.00 O ATOM 1168 OE2 GLU A 77 13.676 -15.585 -27.837 1.00 0.00 O ATOM 0 H GLU A 77 9.305 -15.640 -29.145 1.00 0.00 H new ATOM 0 HA GLU A 77 11.408 -17.218 -27.954 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.496 -15.057 -27.120 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.189 -16.059 -25.860 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.613 -14.228 -27.797 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.621 -14.179 -26.045 1.00 0.00 H new ATOM 1175 N HIS A 78 8.242 -17.828 -27.190 1.00 0.00 N ATOM 1176 CA HIS A 78 7.341 -18.847 -26.665 1.00 0.00 C ATOM 1177 C HIS A 78 6.632 -19.582 -27.799 1.00 0.00 C ATOM 1178 O HIS A 78 5.467 -19.314 -28.093 1.00 0.00 O ATOM 1179 CB HIS A 78 6.310 -18.215 -25.729 1.00 0.00 C ATOM 1180 CG HIS A 78 6.848 -17.062 -24.938 1.00 0.00 C ATOM 1181 ND1 HIS A 78 8.084 -17.079 -24.328 1.00 0.00 N ATOM 1182 CD2 HIS A 78 6.310 -15.851 -24.660 1.00 0.00 C ATOM 1183 CE1 HIS A 78 8.283 -15.930 -23.708 1.00 0.00 C ATOM 1184 NE2 HIS A 78 7.221 -15.167 -23.895 1.00 0.00 N ATOM 0 H HIS A 78 7.780 -16.968 -27.484 1.00 0.00 H new ATOM 0 HA HIS A 78 7.936 -19.567 -26.104 1.00 0.00 H new ATOM 0 HB2 HIS A 78 5.457 -17.875 -26.317 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.941 -18.976 -25.042 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.344 -15.490 -24.981 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.164 -15.660 -23.144 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.098 -14.223 -23.530 1.00 0.00 H new