USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 689 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 63 HIS : no HD1:sc= 0 X(o=-0.32,f=-0.32) USER MOD Set 1.2: A 65 TYR OH : rot 30:sc= -0.322 USER MOD Set 2.1: A 45 ASN : amide:sc= -3.43! C(o=-9!,f=-13!) USER MOD Set 2.2: A 47 ASN :FLIP amide:sc= -5.53! C(o=-13!,f=-9!) USER MOD Set 3.1: A 28 THR OG1 : rot -74:sc= 0.00223 USER MOD Set 3.2: A 88 GLN : amide:sc= -1.35! C(o=-1.3!,f=-7.4!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.111) USER MOD Single : A 19 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.7!) USER MOD Single : A 20 THR OG1 : rot 150:sc= -1.61 USER MOD Single : A 23 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 24 SER OG : rot -150:sc=-0.00407 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -148:sc= -0.0954 (180deg=-0.321) USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= -0.108 (180deg=-0.769) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 0.0137 (180deg=-0.312) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.488 USER MOD Single : A 41 ASN :FLIP amide:sc= -1.81 F(o=-2.6!,f=-1.8) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0236 USER MOD Single : A 56 SER OG : rot 180:sc= 0.501 USER MOD Single : A 58 SER OG : rot 83:sc= -1.28! USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= -0.102 (180deg=-0.791) USER MOD Single : A 74 ASN : amide:sc= -0.425 K(o=-0.42,f=-1.5) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.35 (180deg=-0.751) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -71:sc= 0.474 USER MOD Single : A 91 HIS : no HD1:sc= 0.133 K(o=0.13,f=-5.6!) USER MOD Single : A 92 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 7 -16.556 2.519 -15.338 1.00 1.00 N ATOM 88 CA ARG A 7 -17.166 3.064 -14.128 1.00 1.00 C ATOM 89 C ARG A 7 -16.318 2.804 -12.871 1.00 1.00 C ATOM 90 O ARG A 7 -16.605 3.331 -11.796 1.00 1.00 O ATOM 91 CB ARG A 7 -18.575 2.454 -13.947 1.00 1.00 C ATOM 92 CG ARG A 7 -19.490 3.400 -13.117 1.00 1.00 C ATOM 93 CD ARG A 7 -20.170 4.429 -14.031 1.00 1.00 C ATOM 94 NE ARG A 7 -20.903 5.396 -13.238 1.00 1.00 N ATOM 95 CZ ARG A 7 -21.622 6.350 -13.816 1.00 1.00 C ATOM 96 NH1 ARG A 7 -21.681 6.429 -15.122 1.00 1.00 N ATOM 97 NH2 ARG A 7 -22.264 7.210 -13.078 1.00 1.00 N ATOM 0 HA ARG A 7 -17.232 4.145 -14.250 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -19.024 2.272 -14.923 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -18.496 1.488 -13.447 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -20.246 2.816 -12.592 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -18.899 3.913 -12.358 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -19.421 4.938 -14.638 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -20.848 3.923 -14.719 1.00 1.00 H new ATOM 0 HE ARG A 7 -20.866 5.342 -12.220 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -21.174 5.756 -15.697 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -22.234 7.163 -15.564 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -22.213 7.148 -12.061 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -22.818 7.945 -13.517 1.00 1.00 H new ATOM 111 N ASP A 8 -15.275 1.991 -12.999 1.00 1.00 N ATOM 112 CA ASP A 8 -14.407 1.669 -11.849 1.00 1.00 C ATOM 113 C ASP A 8 -12.926 1.646 -12.256 1.00 1.00 C ATOM 114 O ASP A 8 -12.355 0.580 -12.487 1.00 1.00 O ATOM 115 CB ASP A 8 -14.818 0.306 -11.276 1.00 1.00 C ATOM 116 CG ASP A 8 -14.674 -0.788 -12.329 1.00 1.00 C ATOM 117 OD1 ASP A 8 -15.323 -0.684 -13.358 1.00 1.00 O ATOM 118 OD2 ASP A 8 -13.925 -1.720 -12.089 1.00 1.00 O ATOM 0 H ASP A 8 -15.004 1.542 -13.874 1.00 1.00 H new ATOM 0 HA ASP A 8 -14.529 2.443 -11.091 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -14.199 0.068 -10.411 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -15.850 0.349 -10.928 1.00 1.00 H new ATOM 123 N PRO A 9 -12.270 2.770 -12.333 1.00 1.00 N ATOM 124 CA PRO A 9 -10.822 2.840 -12.709 1.00 1.00 C ATOM 125 C PRO A 9 -9.942 1.927 -11.849 1.00 1.00 C ATOM 126 O PRO A 9 -10.053 1.894 -10.623 1.00 1.00 O ATOM 127 CB PRO A 9 -10.450 4.331 -12.484 1.00 1.00 C ATOM 128 CG PRO A 9 -11.747 5.082 -12.596 1.00 1.00 C ATOM 129 CD PRO A 9 -12.832 4.119 -12.086 1.00 1.00 C ATOM 0 HA PRO A 9 -10.659 2.501 -13.732 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -9.992 4.479 -11.506 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -9.731 4.674 -13.228 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -11.723 5.995 -12.001 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -11.940 5.378 -13.627 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -13.038 4.276 -11.027 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -13.773 4.262 -12.618 1.00 1.00 H new ATOM 137 N THR A 10 -9.043 1.194 -12.497 1.00 1.00 N ATOM 138 CA THR A 10 -8.122 0.288 -11.787 1.00 1.00 C ATOM 139 C THR A 10 -6.726 0.897 -11.731 1.00 1.00 C ATOM 140 O THR A 10 -5.873 0.625 -12.576 1.00 1.00 O ATOM 141 CB THR A 10 -8.059 -1.065 -12.507 1.00 1.00 C ATOM 142 OG1 THR A 10 -9.378 -1.563 -12.680 1.00 1.00 O ATOM 143 CG2 THR A 10 -7.234 -2.058 -11.675 1.00 1.00 C ATOM 0 H THR A 10 -8.926 1.203 -13.510 1.00 1.00 H new ATOM 0 HA THR A 10 -8.491 0.141 -10.772 1.00 1.00 H new ATOM 0 HB THR A 10 -7.585 -0.939 -13.481 1.00 1.00 H new ATOM 0 HG1 THR A 10 -9.344 -2.427 -13.141 1.00 1.00 H new ATOM 0 HG21 THR A 10 -7.192 -3.018 -12.190 1.00 1.00 H new ATOM 0 HG22 THR A 10 -6.223 -1.672 -11.545 1.00 1.00 H new ATOM 0 HG23 THR A 10 -7.701 -2.190 -10.699 1.00 1.00 H new ATOM 151 N LEU A 11 -6.488 1.730 -10.722 1.00 1.00 N ATOM 152 CA LEU A 11 -5.190 2.388 -10.554 1.00 1.00 C ATOM 153 C LEU A 11 -4.233 1.492 -9.780 1.00 1.00 C ATOM 154 O LEU A 11 -4.625 0.745 -8.884 1.00 1.00 O ATOM 155 CB LEU A 11 -5.392 3.727 -9.814 1.00 1.00 C ATOM 156 CG LEU A 11 -6.040 4.791 -10.759 1.00 1.00 C ATOM 157 CD1 LEU A 11 -6.804 5.837 -9.933 1.00 1.00 C ATOM 158 CD2 LEU A 11 -4.958 5.520 -11.594 1.00 1.00 C ATOM 0 H LEU A 11 -7.175 1.967 -10.007 1.00 1.00 H new ATOM 0 HA LEU A 11 -4.754 2.579 -11.535 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -6.028 3.573 -8.942 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -4.433 4.094 -9.449 1.00 1.00 H new ATOM 0 HG LEU A 11 -6.723 4.268 -11.428 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -7.251 6.573 -10.602 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -7.589 5.345 -9.359 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -6.115 6.337 -9.252 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -5.434 6.255 -12.243 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -4.261 6.024 -10.925 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -4.417 4.795 -12.202 1.00 1.00 H new ATOM 170 N THR A 12 -2.954 1.567 -10.133 1.00 1.00 N ATOM 171 CA THR A 12 -1.916 0.762 -9.478 1.00 1.00 C ATOM 172 C THR A 12 -1.012 1.646 -8.619 1.00 1.00 C ATOM 173 O THR A 12 -0.348 2.558 -9.111 1.00 1.00 O ATOM 174 CB THR A 12 -1.077 0.047 -10.542 1.00 1.00 C ATOM 175 OG1 THR A 12 -1.933 -0.726 -11.373 1.00 1.00 O ATOM 176 CG2 THR A 12 -0.054 -0.875 -9.865 1.00 1.00 C ATOM 0 H THR A 12 -2.605 2.178 -10.871 1.00 1.00 H new ATOM 0 HA THR A 12 -2.397 0.027 -8.833 1.00 1.00 H new ATOM 0 HB THR A 12 -0.549 0.787 -11.144 1.00 1.00 H new ATOM 0 HG1 THR A 12 -1.400 -1.184 -12.056 1.00 1.00 H new ATOM 0 HG21 THR A 12 0.540 -1.381 -10.626 1.00 1.00 H new ATOM 0 HG22 THR A 12 0.602 -0.284 -9.227 1.00 1.00 H new ATOM 0 HG23 THR A 12 -0.576 -1.616 -9.260 1.00 1.00 H new ATOM 184 N LEU A 13 -0.991 1.351 -7.324 1.00 1.00 N ATOM 185 CA LEU A 13 -0.167 2.104 -6.363 1.00 1.00 C ATOM 186 C LEU A 13 1.091 1.298 -6.010 1.00 1.00 C ATOM 187 O LEU A 13 1.034 0.098 -5.745 1.00 1.00 O ATOM 188 CB LEU A 13 -0.993 2.394 -5.081 1.00 1.00 C ATOM 189 CG LEU A 13 -1.862 3.660 -5.237 1.00 1.00 C ATOM 190 CD1 LEU A 13 -2.807 3.539 -6.425 1.00 1.00 C ATOM 191 CD2 LEU A 13 -2.654 3.893 -3.945 1.00 1.00 C ATOM 0 H LEU A 13 -1.534 0.595 -6.907 1.00 1.00 H new ATOM 0 HA LEU A 13 0.136 3.050 -6.812 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -1.632 1.539 -4.858 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -0.319 2.517 -4.234 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.208 4.512 -5.423 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.405 4.446 -6.508 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -2.228 3.401 -7.338 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -3.465 2.682 -6.280 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -3.269 4.787 -4.051 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -3.294 3.033 -3.751 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.962 4.026 -3.113 1.00 1.00 H new ATOM 203 N SER A 14 2.233 1.978 -5.993 1.00 1.00 N ATOM 204 CA SER A 14 3.506 1.333 -5.663 1.00 1.00 C ATOM 205 C SER A 14 3.631 1.175 -4.153 1.00 1.00 C ATOM 206 O SER A 14 3.871 2.146 -3.434 1.00 1.00 O ATOM 207 CB SER A 14 4.663 2.180 -6.182 1.00 1.00 C ATOM 208 OG SER A 14 4.563 2.298 -7.594 1.00 1.00 O ATOM 0 H SER A 14 2.307 2.973 -6.203 1.00 1.00 H new ATOM 0 HA SER A 14 3.537 0.350 -6.132 1.00 1.00 H new ATOM 0 HB2 SER A 14 4.641 3.167 -5.721 1.00 1.00 H new ATOM 0 HB3 SER A 14 5.614 1.722 -5.910 1.00 1.00 H new ATOM 0 HG SER A 14 5.305 2.843 -7.930 1.00 1.00 H new ATOM 214 N LEU A 15 3.467 -0.051 -3.666 1.00 1.00 N ATOM 215 CA LEU A 15 3.546 -0.313 -2.231 1.00 1.00 C ATOM 216 C LEU A 15 4.973 -0.123 -1.719 1.00 1.00 C ATOM 217 O LEU A 15 5.809 -1.024 -1.790 1.00 1.00 O ATOM 218 CB LEU A 15 3.097 -1.753 -1.963 1.00 1.00 C ATOM 219 CG LEU A 15 3.006 -2.046 -0.444 1.00 1.00 C ATOM 220 CD1 LEU A 15 1.882 -1.217 0.234 1.00 1.00 C ATOM 221 CD2 LEU A 15 2.744 -3.550 -0.252 1.00 1.00 C ATOM 0 H LEU A 15 3.280 -0.874 -4.238 1.00 1.00 H new ATOM 0 HA LEU A 15 2.897 0.390 -1.709 1.00 1.00 H new ATOM 0 HB2 LEU A 15 2.126 -1.925 -2.427 1.00 1.00 H new ATOM 0 HB3 LEU A 15 3.799 -2.446 -2.427 1.00 1.00 H new ATOM 0 HG LEU A 15 3.946 -1.760 0.027 1.00 1.00 H new ATOM 0 HD11 LEU A 15 1.850 -1.450 1.298 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.083 -0.154 0.101 1.00 1.00 H new ATOM 0 HD13 LEU A 15 0.923 -1.464 -0.221 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.677 -3.775 0.812 1.00 1.00 H new ATOM 0 HD22 LEU A 15 1.808 -3.821 -0.740 1.00 1.00 H new ATOM 0 HD23 LEU A 15 3.561 -4.121 -0.692 1.00 1.00 H new ATOM 233 N ILE A 16 5.249 1.063 -1.188 1.00 1.00 N ATOM 234 CA ILE A 16 6.580 1.391 -0.641 1.00 1.00 C ATOM 235 C ILE A 16 6.495 1.720 0.847 1.00 1.00 C ATOM 236 O ILE A 16 5.419 1.968 1.392 1.00 1.00 O ATOM 237 CB ILE A 16 7.187 2.573 -1.415 1.00 1.00 C ATOM 238 CG1 ILE A 16 6.227 3.787 -1.393 1.00 1.00 C ATOM 239 CG2 ILE A 16 7.439 2.137 -2.866 1.00 1.00 C ATOM 240 CD1 ILE A 16 6.948 5.032 -1.929 1.00 1.00 C ATOM 0 H ILE A 16 4.572 1.823 -1.120 1.00 1.00 H new ATOM 0 HA ILE A 16 7.224 0.519 -0.757 1.00 1.00 H new ATOM 0 HB ILE A 16 8.125 2.869 -0.944 1.00 1.00 H new ATOM 0 HG12 ILE A 16 5.346 3.576 -2.000 1.00 1.00 H new ATOM 0 HG13 ILE A 16 5.878 3.967 -0.376 1.00 1.00 H new ATOM 0 HG21 ILE A 16 7.870 2.967 -3.426 1.00 1.00 H new ATOM 0 HG22 ILE A 16 8.130 1.294 -2.878 1.00 1.00 H new ATOM 0 HG23 ILE A 16 6.496 1.840 -3.326 1.00 1.00 H new ATOM 0 HD11 ILE A 16 6.267 5.883 -1.911 1.00 1.00 H new ATOM 0 HD12 ILE A 16 7.815 5.248 -1.304 1.00 1.00 H new ATOM 0 HD13 ILE A 16 7.275 4.851 -2.953 1.00 1.00 H new ATOM 252 N ALA A 17 7.640 1.731 1.521 1.00 1.00 N ATOM 253 CA ALA A 17 7.684 2.022 2.957 1.00 1.00 C ATOM 254 C ALA A 17 7.607 3.528 3.217 1.00 1.00 C ATOM 255 O ALA A 17 7.798 4.337 2.310 1.00 1.00 O ATOM 256 CB ALA A 17 8.972 1.463 3.546 1.00 1.00 C ATOM 0 H ALA A 17 8.550 1.543 1.101 1.00 1.00 H new ATOM 0 HA ALA A 17 6.823 1.552 3.432 1.00 1.00 H new ATOM 0 HB1 ALA A 17 9.007 1.678 4.614 1.00 1.00 H new ATOM 0 HB2 ALA A 17 9.005 0.384 3.392 1.00 1.00 H new ATOM 0 HB3 ALA A 17 9.828 1.926 3.054 1.00 1.00 H new ATOM 262 N LYS A 18 7.316 3.903 4.459 1.00 1.00 N ATOM 263 CA LYS A 18 7.210 5.334 4.844 1.00 1.00 C ATOM 264 C LYS A 18 8.443 5.795 5.626 1.00 1.00 C ATOM 265 O LYS A 18 9.124 6.744 5.241 1.00 1.00 O ATOM 266 CB LYS A 18 5.898 5.565 5.677 1.00 1.00 C ATOM 267 CG LYS A 18 4.934 6.543 4.963 1.00 1.00 C ATOM 268 CD LYS A 18 5.480 7.983 5.046 1.00 1.00 C ATOM 269 CE LYS A 18 4.662 8.907 4.139 1.00 1.00 C ATOM 270 NZ LYS A 18 3.283 9.025 4.684 1.00 1.00 N ATOM 0 H LYS A 18 7.147 3.250 5.224 1.00 1.00 H new ATOM 0 HA LYS A 18 7.162 5.933 3.935 1.00 1.00 H new ATOM 0 HB2 LYS A 18 5.396 4.611 5.838 1.00 1.00 H new ATOM 0 HB3 LYS A 18 6.155 5.960 6.660 1.00 1.00 H new ATOM 0 HG2 LYS A 18 4.815 6.251 3.920 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.947 6.493 5.423 1.00 1.00 H new ATOM 0 HD2 LYS A 18 5.436 8.338 6.075 1.00 1.00 H new ATOM 0 HD3 LYS A 18 6.528 8.001 4.747 1.00 1.00 H new ATOM 0 HE2 LYS A 18 5.130 9.890 4.083 1.00 1.00 H new ATOM 0 HE3 LYS A 18 4.633 8.509 3.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.767 9.765 4.166 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 2.788 8.117 4.575 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 3.328 9.276 5.692 1.00 1.00 H new ATOM 284 N ASN A 19 8.730 5.113 6.730 1.00 1.00 N ATOM 285 CA ASN A 19 9.882 5.466 7.565 1.00 1.00 C ATOM 286 C ASN A 19 11.098 4.655 7.149 1.00 1.00 C ATOM 287 O ASN A 19 12.163 5.197 6.852 1.00 1.00 O ATOM 288 CB ASN A 19 9.537 5.192 9.037 1.00 1.00 C ATOM 289 CG ASN A 19 8.481 6.191 9.523 1.00 1.00 C ATOM 290 OD1 ASN A 19 8.206 7.183 8.844 1.00 1.00 O ATOM 291 ND2 ASN A 19 7.886 5.996 10.667 1.00 1.00 N ATOM 0 H ASN A 19 8.188 4.318 7.069 1.00 1.00 H new ATOM 0 HA ASN A 19 10.115 6.523 7.438 1.00 1.00 H new ATOM 0 HB2 ASN A 19 9.164 4.174 9.148 1.00 1.00 H new ATOM 0 HB3 ASN A 19 10.435 5.272 9.650 1.00 1.00 H new ATOM 0 HD21 ASN A 19 7.192 6.665 11.001 1.00 1.00 H new ATOM 0 HD22 ASN A 19 8.115 5.175 11.227 1.00 1.00 H new ATOM 298 N THR A 20 10.937 3.335 7.135 1.00 1.00 N ATOM 299 CA THR A 20 12.021 2.426 6.758 1.00 1.00 C ATOM 300 C THR A 20 13.349 2.811 7.443 1.00 1.00 C ATOM 301 O THR A 20 14.190 3.448 6.808 1.00 1.00 O ATOM 302 CB THR A 20 12.178 2.424 5.203 1.00 1.00 C ATOM 303 OG1 THR A 20 11.030 3.016 4.635 1.00 1.00 O ATOM 304 CG2 THR A 20 12.333 0.985 4.691 1.00 1.00 C ATOM 0 H THR A 20 10.064 2.867 7.381 1.00 1.00 H new ATOM 0 HA THR A 20 11.766 1.422 7.097 1.00 1.00 H new ATOM 0 HB THR A 20 13.067 2.988 4.920 1.00 1.00 H new ATOM 0 HG1 THR A 20 11.271 3.455 3.793 1.00 1.00 H new ATOM 0 HG21 THR A 20 12.442 0.994 3.606 1.00 1.00 H new ATOM 0 HG22 THR A 20 13.217 0.532 5.140 1.00 1.00 H new ATOM 0 HG23 THR A 20 11.451 0.405 4.962 1.00 1.00 H new ATOM 312 N PRO A 21 13.564 2.444 8.678 1.00 1.00 N ATOM 313 CA PRO A 21 14.830 2.770 9.398 1.00 1.00 C ATOM 314 C PRO A 21 16.054 2.268 8.624 1.00 1.00 C ATOM 315 O PRO A 21 16.089 1.134 8.147 1.00 1.00 O ATOM 316 CB PRO A 21 14.673 2.048 10.763 1.00 1.00 C ATOM 317 CG PRO A 21 13.190 1.886 10.946 1.00 1.00 C ATOM 318 CD PRO A 21 12.626 1.681 9.534 1.00 1.00 C ATOM 0 HA PRO A 21 14.990 3.842 9.512 1.00 1.00 H new ATOM 0 HB2 PRO A 21 15.179 1.082 10.760 1.00 1.00 H new ATOM 0 HB3 PRO A 21 15.109 2.633 11.572 1.00 1.00 H new ATOM 0 HG2 PRO A 21 12.964 1.034 11.587 1.00 1.00 H new ATOM 0 HG3 PRO A 21 12.754 2.766 11.419 1.00 1.00 H new ATOM 0 HD2 PRO A 21 12.599 0.626 9.261 1.00 1.00 H new ATOM 0 HD3 PRO A 21 11.607 2.058 9.449 1.00 1.00 H new ATOM 326 N ALA A 22 17.076 3.113 8.510 1.00 1.00 N ATOM 327 CA ALA A 22 18.296 2.762 7.794 1.00 1.00 C ATOM 328 C ALA A 22 18.938 1.492 8.352 1.00 1.00 C ATOM 329 O ALA A 22 19.814 0.899 7.720 1.00 1.00 O ATOM 330 CB ALA A 22 19.290 3.920 7.888 1.00 1.00 C ATOM 0 H ALA A 22 17.081 4.052 8.908 1.00 1.00 H new ATOM 0 HA ALA A 22 18.032 2.572 6.754 1.00 1.00 H new ATOM 0 HB1 ALA A 22 20.203 3.660 7.353 1.00 1.00 H new ATOM 0 HB2 ALA A 22 18.851 4.813 7.443 1.00 1.00 H new ATOM 0 HB3 ALA A 22 19.525 4.114 8.935 1.00 1.00 H new ATOM 336 N ASN A 23 18.512 1.063 9.536 1.00 1.00 N ATOM 337 CA ASN A 23 19.062 -0.144 10.173 1.00 1.00 C ATOM 338 C ASN A 23 18.252 -1.384 9.797 1.00 1.00 C ATOM 339 O ASN A 23 18.700 -2.515 9.989 1.00 1.00 O ATOM 340 CB ASN A 23 19.052 0.025 11.696 1.00 1.00 C ATOM 341 CG ASN A 23 19.728 -1.175 12.356 1.00 1.00 C ATOM 342 OD1 ASN A 23 19.058 -2.021 12.948 1.00 1.00 O ATOM 343 ND2 ASN A 23 21.024 -1.299 12.277 1.00 1.00 N ATOM 0 H ASN A 23 17.786 1.530 10.080 1.00 1.00 H new ATOM 0 HA ASN A 23 20.084 -0.278 9.819 1.00 1.00 H new ATOM 0 HB2 ASN A 23 19.571 0.943 11.972 1.00 1.00 H new ATOM 0 HB3 ASN A 23 18.027 0.118 12.054 1.00 1.00 H new ATOM 0 HD21 ASN A 23 21.487 -2.100 12.707 1.00 1.00 H new ATOM 0 HD22 ASN A 23 21.575 -0.595 11.785 1.00 1.00 H new ATOM 350 N SER A 24 17.055 -1.177 9.258 1.00 1.00 N ATOM 351 CA SER A 24 16.168 -2.284 8.857 1.00 1.00 C ATOM 352 C SER A 24 16.092 -2.393 7.340 1.00 1.00 C ATOM 353 O SER A 24 16.287 -1.418 6.614 1.00 1.00 O ATOM 354 CB SER A 24 14.766 -2.053 9.422 1.00 1.00 C ATOM 355 OG SER A 24 13.935 -3.152 9.069 1.00 1.00 O ATOM 0 H SER A 24 16.667 -0.250 9.084 1.00 1.00 H new ATOM 0 HA SER A 24 16.577 -3.213 9.254 1.00 1.00 H new ATOM 0 HB2 SER A 24 14.810 -1.948 10.506 1.00 1.00 H new ATOM 0 HB3 SER A 24 14.350 -1.125 9.028 1.00 1.00 H new ATOM 0 HG SER A 24 13.008 -2.846 8.982 1.00 1.00 H new ATOM 361 N MET A 25 15.811 -3.598 6.854 1.00 1.00 N ATOM 362 CA MET A 25 15.711 -3.844 5.408 1.00 1.00 C ATOM 363 C MET A 25 14.624 -4.879 5.126 1.00 1.00 C ATOM 364 O MET A 25 14.719 -6.041 5.521 1.00 1.00 O ATOM 365 CB MET A 25 17.061 -4.335 4.878 1.00 1.00 C ATOM 366 CG MET A 25 17.013 -4.451 3.348 1.00 1.00 C ATOM 367 SD MET A 25 18.631 -4.985 2.726 1.00 1.00 S ATOM 368 CE MET A 25 18.364 -6.775 2.819 1.00 1.00 C ATOM 0 H MET A 25 15.648 -4.421 7.433 1.00 1.00 H new ATOM 0 HA MET A 25 15.445 -2.916 4.902 1.00 1.00 H new ATOM 0 HB2 MET A 25 17.850 -3.644 5.174 1.00 1.00 H new ATOM 0 HB3 MET A 25 17.303 -5.303 5.317 1.00 1.00 H new ATOM 0 HG2 MET A 25 16.245 -5.165 3.051 1.00 1.00 H new ATOM 0 HG3 MET A 25 16.742 -3.491 2.909 1.00 1.00 H new ATOM 0 HE1 MET A 25 19.258 -7.295 2.474 1.00 1.00 H new ATOM 0 HE2 MET A 25 18.155 -7.059 3.850 1.00 1.00 H new ATOM 0 HE3 MET A 25 17.519 -7.050 2.188 1.00 1.00 H new ATOM 378 N ILE A 26 13.578 -4.444 4.430 1.00 1.00 N ATOM 379 CA ILE A 26 12.462 -5.330 4.111 1.00 1.00 C ATOM 380 C ILE A 26 12.886 -6.414 3.122 1.00 1.00 C ATOM 381 O ILE A 26 13.231 -6.145 1.972 1.00 1.00 O ATOM 382 CB ILE A 26 11.300 -4.511 3.493 1.00 1.00 C ATOM 383 CG1 ILE A 26 11.121 -3.163 4.264 1.00 1.00 C ATOM 384 CG2 ILE A 26 10.002 -5.345 3.555 1.00 1.00 C ATOM 385 CD1 ILE A 26 12.063 -2.049 3.735 1.00 1.00 C ATOM 0 H ILE A 26 13.479 -3.492 4.078 1.00 1.00 H new ATOM 0 HA ILE A 26 12.135 -5.805 5.036 1.00 1.00 H new ATOM 0 HB ILE A 26 11.529 -4.281 2.453 1.00 1.00 H new ATOM 0 HG12 ILE A 26 10.086 -2.832 4.176 1.00 1.00 H new ATOM 0 HG13 ILE A 26 11.315 -3.326 5.324 1.00 1.00 H new ATOM 0 HG21 ILE A 26 9.181 -4.774 3.122 1.00 1.00 H new ATOM 0 HG22 ILE A 26 10.136 -6.270 2.994 1.00 1.00 H new ATOM 0 HG23 ILE A 26 9.771 -5.581 4.594 1.00 1.00 H new ATOM 0 HD11 ILE A 26 11.899 -1.134 4.304 1.00 1.00 H new ATOM 0 HD12 ILE A 26 13.100 -2.366 3.848 1.00 1.00 H new ATOM 0 HD13 ILE A 26 11.852 -1.864 2.682 1.00 1.00 H new ATOM 397 N MET A 27 12.846 -7.662 3.582 1.00 1.00 N ATOM 398 CA MET A 27 13.205 -8.792 2.741 1.00 1.00 C ATOM 399 C MET A 27 12.165 -8.952 1.633 1.00 1.00 C ATOM 400 O MET A 27 12.463 -9.451 0.548 1.00 1.00 O ATOM 401 CB MET A 27 13.283 -10.068 3.584 1.00 1.00 C ATOM 402 CG MET A 27 13.871 -11.214 2.748 1.00 1.00 C ATOM 403 SD MET A 27 13.829 -12.752 3.709 1.00 1.00 S ATOM 404 CE MET A 27 15.394 -12.547 4.596 1.00 1.00 C ATOM 0 H MET A 27 12.569 -7.912 4.531 1.00 1.00 H new ATOM 0 HA MET A 27 14.182 -8.613 2.291 1.00 1.00 H new ATOM 0 HB2 MET A 27 13.901 -9.895 4.465 1.00 1.00 H new ATOM 0 HB3 MET A 27 12.289 -10.340 3.941 1.00 1.00 H new ATOM 0 HG2 MET A 27 13.302 -11.334 1.826 1.00 1.00 H new ATOM 0 HG3 MET A 27 14.896 -10.980 2.462 1.00 1.00 H new ATOM 0 HE1 MET A 27 15.840 -13.525 4.777 1.00 1.00 H new ATOM 0 HE2 MET A 27 16.075 -11.942 3.997 1.00 1.00 H new ATOM 0 HE3 MET A 27 15.210 -12.050 5.549 1.00 1.00 H new ATOM 414 N THR A 28 10.935 -8.529 1.904 1.00 1.00 N ATOM 415 CA THR A 28 9.856 -8.632 0.923 1.00 1.00 C ATOM 416 C THR A 28 10.121 -7.667 -0.233 1.00 1.00 C ATOM 417 O THR A 28 10.493 -6.513 -0.018 1.00 1.00 O ATOM 418 CB THR A 28 8.502 -8.297 1.586 1.00 1.00 C ATOM 419 OG1 THR A 28 8.429 -8.945 2.849 1.00 1.00 O ATOM 420 CG2 THR A 28 7.336 -8.789 0.703 1.00 1.00 C ATOM 0 H THR A 28 10.659 -8.112 2.793 1.00 1.00 H new ATOM 0 HA THR A 28 9.818 -9.652 0.541 1.00 1.00 H new ATOM 0 HB THR A 28 8.426 -7.217 1.709 1.00 1.00 H new ATOM 0 HG1 THR A 28 8.276 -9.904 2.716 1.00 1.00 H new ATOM 0 HG21 THR A 28 6.388 -8.546 1.183 1.00 1.00 H new ATOM 0 HG22 THR A 28 7.385 -8.301 -0.270 1.00 1.00 H new ATOM 0 HG23 THR A 28 7.410 -9.869 0.571 1.00 1.00 H new ATOM 428 N LYS A 29 9.933 -8.112 -1.471 1.00 1.00 N ATOM 429 CA LYS A 29 10.171 -7.255 -2.633 1.00 1.00 C ATOM 430 C LYS A 29 9.138 -6.142 -2.713 1.00 1.00 C ATOM 431 O LYS A 29 9.297 -5.169 -3.450 1.00 1.00 O ATOM 432 CB LYS A 29 10.157 -8.097 -3.914 1.00 1.00 C ATOM 433 CG LYS A 29 10.619 -7.248 -5.106 1.00 1.00 C ATOM 434 CD LYS A 29 10.765 -8.128 -6.339 1.00 1.00 C ATOM 435 CE LYS A 29 11.261 -7.272 -7.504 1.00 1.00 C ATOM 436 NZ LYS A 29 10.298 -6.163 -7.755 1.00 1.00 N ATOM 0 H LYS A 29 9.618 -9.055 -1.698 1.00 1.00 H new ATOM 0 HA LYS A 29 11.151 -6.791 -2.525 1.00 1.00 H new ATOM 0 HB2 LYS A 29 10.811 -8.961 -3.798 1.00 1.00 H new ATOM 0 HB3 LYS A 29 9.153 -8.479 -4.097 1.00 1.00 H new ATOM 0 HG2 LYS A 29 9.899 -6.453 -5.299 1.00 1.00 H new ATOM 0 HG3 LYS A 29 11.570 -6.768 -4.876 1.00 1.00 H new ATOM 0 HD2 LYS A 29 11.466 -8.939 -6.142 1.00 1.00 H new ATOM 0 HD3 LYS A 29 9.809 -8.587 -6.589 1.00 1.00 H new ATOM 0 HE2 LYS A 29 12.247 -6.867 -7.277 1.00 1.00 H new ATOM 0 HE3 LYS A 29 11.367 -7.885 -8.399 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 10.202 -6.012 -8.779 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 9.371 -6.410 -7.353 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 10.648 -5.292 -7.308 1.00 1.00 H new ATOM 450 N LEU A 30 8.067 -6.289 -1.939 1.00 1.00 N ATOM 451 CA LEU A 30 6.990 -5.295 -1.892 1.00 1.00 C ATOM 452 C LEU A 30 6.294 -5.121 -3.257 1.00 1.00 C ATOM 453 O LEU A 30 6.743 -4.300 -4.056 1.00 1.00 O ATOM 454 CB LEU A 30 7.546 -3.939 -1.403 1.00 1.00 C ATOM 455 CG LEU A 30 8.045 -4.059 0.068 1.00 1.00 C ATOM 456 CD1 LEU A 30 9.050 -2.940 0.371 1.00 1.00 C ATOM 457 CD2 LEU A 30 6.861 -3.959 1.064 1.00 1.00 C ATOM 0 H LEU A 30 7.918 -7.093 -1.329 1.00 1.00 H new ATOM 0 HA LEU A 30 6.239 -5.660 -1.191 1.00 1.00 H new ATOM 0 HB2 LEU A 30 8.365 -3.620 -2.047 1.00 1.00 H new ATOM 0 HB3 LEU A 30 6.772 -3.175 -1.470 1.00 1.00 H new ATOM 0 HG LEU A 30 8.524 -5.031 0.184 1.00 1.00 H new ATOM 0 HD11 LEU A 30 9.395 -3.030 1.401 1.00 1.00 H new ATOM 0 HD12 LEU A 30 9.901 -3.022 -0.305 1.00 1.00 H new ATOM 0 HD13 LEU A 30 8.569 -1.972 0.233 1.00 1.00 H new ATOM 0 HD21 LEU A 30 7.235 -4.046 2.084 1.00 1.00 H new ATOM 0 HD22 LEU A 30 6.362 -2.998 0.941 1.00 1.00 H new ATOM 0 HD23 LEU A 30 6.152 -4.763 0.868 1.00 1.00 H new ATOM 469 N PRO A 31 5.242 -5.846 -3.525 1.00 1.00 N ATOM 470 CA PRO A 31 4.499 -5.751 -4.821 1.00 1.00 C ATOM 471 C PRO A 31 3.427 -4.651 -4.812 1.00 1.00 C ATOM 472 O PRO A 31 2.942 -4.217 -3.767 1.00 1.00 O ATOM 473 CB PRO A 31 3.870 -7.150 -4.941 1.00 1.00 C ATOM 474 CG PRO A 31 3.519 -7.513 -3.522 1.00 1.00 C ATOM 475 CD PRO A 31 4.600 -6.853 -2.636 1.00 1.00 C ATOM 0 HA PRO A 31 5.143 -5.480 -5.658 1.00 1.00 H new ATOM 0 HB2 PRO A 31 2.987 -7.137 -5.580 1.00 1.00 H new ATOM 0 HB3 PRO A 31 4.568 -7.866 -5.375 1.00 1.00 H new ATOM 0 HG2 PRO A 31 2.525 -7.150 -3.261 1.00 1.00 H new ATOM 0 HG3 PRO A 31 3.510 -8.594 -3.386 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.160 -6.384 -1.756 1.00 1.00 H new ATOM 0 HD3 PRO A 31 5.323 -7.586 -2.279 1.00 1.00 H new ATOM 483 N SER A 32 3.040 -4.200 -6.001 1.00 1.00 N ATOM 484 CA SER A 32 2.024 -3.155 -6.136 1.00 1.00 C ATOM 485 C SER A 32 0.642 -3.668 -5.725 1.00 1.00 C ATOM 486 O SER A 32 0.481 -4.836 -5.375 1.00 1.00 O ATOM 487 CB SER A 32 1.974 -2.670 -7.580 1.00 1.00 C ATOM 488 OG SER A 32 1.506 -3.725 -8.409 1.00 1.00 O ATOM 0 H SER A 32 3.413 -4.540 -6.887 1.00 1.00 H new ATOM 0 HA SER A 32 2.296 -2.332 -5.475 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.315 -1.806 -7.664 1.00 1.00 H new ATOM 0 HB3 SER A 32 2.964 -2.349 -7.903 1.00 1.00 H new ATOM 0 HG SER A 32 1.470 -3.419 -9.339 1.00 1.00 H new ATOM 494 N VAL A 33 -0.351 -2.784 -5.772 1.00 1.00 N ATOM 495 CA VAL A 33 -1.735 -3.141 -5.401 1.00 1.00 C ATOM 496 C VAL A 33 -2.742 -2.497 -6.353 1.00 1.00 C ATOM 497 O VAL A 33 -2.502 -1.427 -6.913 1.00 1.00 O ATOM 498 CB VAL A 33 -2.024 -2.682 -3.961 1.00 1.00 C ATOM 499 CG1 VAL A 33 -1.919 -1.149 -3.855 1.00 1.00 C ATOM 500 CG2 VAL A 33 -3.434 -3.135 -3.542 1.00 1.00 C ATOM 0 H VAL A 33 -0.232 -1.813 -6.062 1.00 1.00 H new ATOM 0 HA VAL A 33 -1.837 -4.224 -5.470 1.00 1.00 H new ATOM 0 HB VAL A 33 -1.286 -3.132 -3.296 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -2.126 -0.840 -2.830 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -0.914 -0.833 -4.133 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -2.643 -0.687 -4.526 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -3.633 -2.807 -2.522 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -4.172 -2.697 -4.214 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -3.497 -4.222 -3.593 1.00 1.00 H new ATOM 510 N ARG A 34 -3.884 -3.155 -6.529 1.00 1.00 N ATOM 511 CA ARG A 34 -4.951 -2.650 -7.402 1.00 1.00 C ATOM 512 C ARG A 34 -6.012 -1.961 -6.556 1.00 1.00 C ATOM 513 O ARG A 34 -6.503 -2.514 -5.572 1.00 1.00 O ATOM 514 CB ARG A 34 -5.584 -3.814 -8.170 1.00 1.00 C ATOM 515 CG ARG A 34 -4.554 -4.419 -9.126 1.00 1.00 C ATOM 516 CD ARG A 34 -5.166 -5.624 -9.843 1.00 1.00 C ATOM 517 NE ARG A 34 -4.186 -6.222 -10.744 1.00 1.00 N ATOM 518 CZ ARG A 34 -4.447 -7.347 -11.406 1.00 1.00 C ATOM 519 NH1 ARG A 34 -5.603 -7.941 -11.264 1.00 1.00 N ATOM 520 NH2 ARG A 34 -3.543 -7.859 -12.199 1.00 1.00 N ATOM 0 H ARG A 34 -4.100 -4.044 -6.078 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.531 -1.937 -8.112 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -5.938 -4.573 -7.473 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -6.452 -3.465 -8.729 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -4.236 -3.673 -9.854 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -3.665 -4.724 -8.574 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -5.498 -6.362 -9.112 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -6.047 -5.314 -10.405 1.00 1.00 H new ATOM 0 HE ARG A 34 -3.281 -5.768 -10.869 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -6.308 -7.543 -10.644 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -5.799 -8.803 -11.773 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -2.641 -7.397 -12.309 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -3.740 -8.721 -12.708 1.00 1.00 H new ATOM 534 N VAL A 35 -6.368 -0.738 -6.937 1.00 1.00 N ATOM 535 CA VAL A 35 -7.373 0.041 -6.201 1.00 1.00 C ATOM 536 C VAL A 35 -8.478 0.540 -7.127 1.00 1.00 C ATOM 537 O VAL A 35 -8.301 0.709 -8.333 1.00 1.00 O ATOM 538 CB VAL A 35 -6.693 1.235 -5.513 1.00 1.00 C ATOM 539 CG1 VAL A 35 -7.683 1.944 -4.582 1.00 1.00 C ATOM 540 CG2 VAL A 35 -5.495 0.737 -4.698 1.00 1.00 C ATOM 0 H VAL A 35 -5.979 -0.260 -7.750 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.828 -0.609 -5.454 1.00 1.00 H new ATOM 0 HB VAL A 35 -6.356 1.939 -6.274 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -7.189 2.788 -4.101 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.534 2.303 -5.161 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -8.031 1.245 -3.821 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -5.011 1.582 -4.209 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.837 0.029 -3.944 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.783 0.245 -5.361 1.00 1.00 H new ATOM 550 N LYS A 36 -9.645 0.774 -6.537 1.00 1.00 N ATOM 551 CA LYS A 36 -10.818 1.255 -7.285 1.00 1.00 C ATOM 552 C LYS A 36 -11.357 2.543 -6.668 1.00 1.00 C ATOM 553 O LYS A 36 -11.368 2.714 -5.450 1.00 1.00 O ATOM 554 CB LYS A 36 -11.908 0.182 -7.264 1.00 1.00 C ATOM 555 CG LYS A 36 -11.414 -1.065 -8.003 1.00 1.00 C ATOM 556 CD LYS A 36 -12.497 -2.144 -7.968 1.00 1.00 C ATOM 557 CE LYS A 36 -11.978 -3.417 -8.643 1.00 1.00 C ATOM 558 NZ LYS A 36 -11.761 -3.157 -10.095 1.00 1.00 N ATOM 0 H LYS A 36 -9.812 0.640 -5.540 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.520 1.460 -8.313 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -12.165 -0.070 -6.235 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -12.815 0.561 -7.735 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -11.169 -0.815 -9.035 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -10.500 -1.437 -7.539 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -12.779 -2.357 -6.937 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -13.393 -1.790 -8.477 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -11.046 -3.735 -8.176 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -12.693 -4.229 -8.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -11.674 -4.062 -10.601 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -12.568 -2.623 -10.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -10.889 -2.605 -10.222 1.00 1.00 H new ATOM 572 N THR A 37 -11.812 3.455 -7.522 1.00 1.00 N ATOM 573 CA THR A 37 -12.364 4.749 -7.069 1.00 1.00 C ATOM 574 C THR A 37 -13.723 5.030 -7.716 1.00 1.00 C ATOM 575 O THR A 37 -13.914 4.831 -8.914 1.00 1.00 O ATOM 576 CB THR A 37 -11.396 5.887 -7.428 1.00 1.00 C ATOM 577 OG1 THR A 37 -11.152 5.870 -8.828 1.00 1.00 O ATOM 578 CG2 THR A 37 -10.076 5.712 -6.667 1.00 1.00 C ATOM 0 H THR A 37 -11.814 3.331 -8.534 1.00 1.00 H new ATOM 0 HA THR A 37 -12.494 4.694 -5.988 1.00 1.00 H new ATOM 0 HB THR A 37 -11.839 6.842 -7.147 1.00 1.00 H new ATOM 0 HG1 THR A 37 -10.536 6.596 -9.062 1.00 1.00 H new ATOM 0 HG21 THR A 37 -9.396 6.523 -6.927 1.00 1.00 H new ATOM 0 HG22 THR A 37 -10.269 5.731 -5.594 1.00 1.00 H new ATOM 0 HG23 THR A 37 -9.624 4.758 -6.938 1.00 1.00 H new ATOM 586 N GLU A 38 -14.664 5.511 -6.911 1.00 1.00 N ATOM 587 CA GLU A 38 -16.019 5.845 -7.398 1.00 1.00 C ATOM 588 C GLU A 38 -16.211 7.355 -7.393 1.00 1.00 C ATOM 589 O GLU A 38 -17.266 7.869 -7.018 1.00 1.00 O ATOM 590 CB GLU A 38 -17.080 5.185 -6.506 1.00 1.00 C ATOM 591 CG GLU A 38 -16.989 3.656 -6.620 1.00 1.00 C ATOM 592 CD GLU A 38 -17.380 3.194 -8.023 1.00 1.00 C ATOM 593 OE1 GLU A 38 -18.044 3.950 -8.713 1.00 1.00 O ATOM 594 OE2 GLU A 38 -17.006 2.090 -8.387 1.00 1.00 O ATOM 0 H GLU A 38 -14.524 5.682 -5.915 1.00 1.00 H new ATOM 0 HA GLU A 38 -16.130 5.471 -8.416 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -16.935 5.489 -5.469 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -18.074 5.521 -6.801 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -15.974 3.329 -6.394 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -17.645 3.192 -5.883 1.00 1.00 H new ATOM 601 N GLY A 39 -15.182 8.080 -7.819 1.00 1.00 N ATOM 602 CA GLY A 39 -15.218 9.551 -7.872 1.00 1.00 C ATOM 603 C GLY A 39 -14.878 10.056 -9.267 1.00 1.00 C ATOM 604 O GLY A 39 -15.030 11.243 -9.552 1.00 1.00 O ATOM 0 H GLY A 39 -14.301 7.675 -8.137 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -16.208 9.904 -7.585 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -14.512 9.962 -7.151 1.00 1.00 H new ATOM 608 N TYR A 40 -14.424 9.159 -10.137 1.00 1.00 N ATOM 609 CA TYR A 40 -14.069 9.508 -11.510 1.00 1.00 C ATOM 610 C TYR A 40 -12.964 10.557 -11.542 1.00 1.00 C ATOM 611 O TYR A 40 -12.810 11.351 -10.613 1.00 1.00 O ATOM 612 CB TYR A 40 -15.306 10.032 -12.251 1.00 1.00 C ATOM 613 CG TYR A 40 -16.477 9.102 -11.993 1.00 1.00 C ATOM 614 CD1 TYR A 40 -16.622 7.934 -12.753 1.00 1.00 C ATOM 615 CD2 TYR A 40 -17.414 9.406 -10.994 1.00 1.00 C ATOM 616 CE1 TYR A 40 -17.702 7.073 -12.515 1.00 1.00 C ATOM 617 CE2 TYR A 40 -18.493 8.547 -10.759 1.00 1.00 C ATOM 618 CZ TYR A 40 -18.637 7.380 -11.520 1.00 1.00 C ATOM 619 OH TYR A 40 -19.703 6.536 -11.288 1.00 1.00 O ATOM 0 H TYR A 40 -14.292 8.173 -9.912 1.00 1.00 H new ATOM 0 HA TYR A 40 -13.701 8.610 -12.005 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -15.546 11.040 -11.913 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -15.104 10.094 -13.320 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -15.902 7.697 -13.522 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -17.302 10.305 -10.405 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -17.813 6.172 -13.100 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -19.215 8.784 -9.991 1.00 1.00 H new ATOM 0 HH TYR A 40 -20.255 6.897 -10.563 1.00 1.00 H new ATOM 629 N ASN A 41 -12.186 10.568 -12.620 1.00 1.00 N ATOM 630 CA ASN A 41 -11.097 11.532 -12.760 1.00 1.00 C ATOM 631 C ASN A 41 -10.432 11.398 -14.150 1.00 1.00 C ATOM 632 O ASN A 41 -10.372 10.296 -14.698 1.00 1.00 O ATOM 633 CB ASN A 41 -10.045 11.305 -11.650 1.00 1.00 C ATOM 634 CG ASN A 41 -9.696 9.822 -11.541 1.00 1.00 C ATOM 635 OD1 ASN A 41 -10.082 8.998 -12.476 1.00 1.00 O flip ATOM 636 ND2 ASN A 41 -9.053 9.406 -10.577 1.00 1.00 N flip ATOM 0 H ASN A 41 -12.287 9.925 -13.405 1.00 1.00 H new ATOM 0 HA ASN A 41 -11.508 12.537 -12.664 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -9.146 11.881 -11.869 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -10.430 11.665 -10.696 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -8.752 10.052 -9.847 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -8.821 8.415 -10.508 1.00 1.00 H new ATOM 643 N PRO A 42 -9.933 12.463 -14.713 1.00 1.00 N ATOM 644 CA PRO A 42 -9.265 12.401 -16.065 1.00 1.00 C ATOM 645 C PRO A 42 -7.931 11.622 -16.033 1.00 1.00 C ATOM 646 O PRO A 42 -7.740 10.626 -16.728 1.00 1.00 O ATOM 647 CB PRO A 42 -9.059 13.897 -16.428 1.00 1.00 C ATOM 648 CG PRO A 42 -8.994 14.614 -15.104 1.00 1.00 C ATOM 649 CD PRO A 42 -9.940 13.845 -14.168 1.00 1.00 C ATOM 0 HA PRO A 42 -9.862 11.862 -16.801 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -8.143 14.042 -17.001 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -9.880 14.271 -17.040 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -7.977 14.622 -14.712 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -9.304 15.654 -15.206 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -9.589 13.870 -13.136 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -10.943 14.272 -14.174 1.00 1.00 H new ATOM 657 N SER A 43 -7.007 12.102 -15.207 1.00 1.00 N ATOM 658 CA SER A 43 -5.690 11.447 -15.097 1.00 1.00 C ATOM 659 C SER A 43 -5.012 11.821 -13.792 1.00 1.00 C ATOM 660 O SER A 43 -4.652 10.967 -12.982 1.00 1.00 O ATOM 661 CB SER A 43 -4.801 11.879 -16.260 1.00 1.00 C ATOM 662 OG SER A 43 -3.551 11.216 -16.159 1.00 1.00 O ATOM 0 H SER A 43 -7.131 12.922 -14.613 1.00 1.00 H new ATOM 0 HA SER A 43 -5.841 10.368 -15.123 1.00 1.00 H new ATOM 0 HB2 SER A 43 -5.279 11.637 -17.209 1.00 1.00 H new ATOM 0 HB3 SER A 43 -4.656 12.959 -16.242 1.00 1.00 H new ATOM 0 HG SER A 43 -2.975 11.488 -16.904 1.00 1.00 H new ATOM 668 N ILE A 44 -4.844 13.124 -13.590 1.00 1.00 N ATOM 669 CA ILE A 44 -4.217 13.690 -12.365 1.00 1.00 C ATOM 670 C ILE A 44 -2.712 13.862 -12.587 1.00 1.00 C ATOM 671 O ILE A 44 -2.273 14.667 -13.408 1.00 1.00 O ATOM 672 CB ILE A 44 -4.521 12.821 -11.088 1.00 1.00 C ATOM 673 CG1 ILE A 44 -6.057 12.604 -10.938 1.00 1.00 C ATOM 674 CG2 ILE A 44 -4.011 13.491 -9.785 1.00 1.00 C ATOM 675 CD1 ILE A 44 -6.327 11.462 -9.953 1.00 1.00 C ATOM 0 H ILE A 44 -5.134 13.833 -14.264 1.00 1.00 H new ATOM 0 HA ILE A 44 -4.657 14.669 -12.177 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.001 11.873 -11.228 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -6.530 13.520 -10.585 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -6.497 12.371 -11.908 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -4.244 12.853 -8.932 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -2.932 13.633 -9.847 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.498 14.458 -9.659 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -7.402 11.315 -9.852 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -5.869 10.545 -10.324 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -5.902 11.712 -8.981 1.00 1.00 H new ATOM 687 N ASN A 45 -1.924 13.093 -11.844 1.00 1.00 N ATOM 688 CA ASN A 45 -0.466 13.187 -11.970 1.00 1.00 C ATOM 689 C ASN A 45 0.211 12.140 -11.094 1.00 1.00 C ATOM 690 O ASN A 45 1.375 11.794 -11.285 1.00 1.00 O ATOM 691 CB ASN A 45 0.032 14.604 -11.543 1.00 1.00 C ATOM 692 CG ASN A 45 1.292 14.970 -12.315 1.00 1.00 C ATOM 693 OD1 ASN A 45 1.984 14.087 -12.819 1.00 1.00 O ATOM 694 ND2 ASN A 45 1.627 16.221 -12.441 1.00 1.00 N ATOM 0 H ASN A 45 -2.255 12.411 -11.162 1.00 1.00 H new ATOM 0 HA ASN A 45 -0.208 13.012 -13.014 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -0.747 15.343 -11.731 1.00 1.00 H new ATOM 0 HB3 ASN A 45 0.235 14.619 -10.472 1.00 1.00 H new ATOM 0 HD21 ASN A 45 2.468 16.474 -12.960 1.00 1.00 H new ATOM 0 HD22 ASN A 45 1.049 16.949 -12.021 1.00 1.00 H new ATOM 701 N VAL A 46 -0.529 11.633 -10.112 1.00 1.00 N ATOM 702 CA VAL A 46 -0.017 10.633 -9.157 1.00 1.00 C ATOM 703 C VAL A 46 1.501 10.755 -8.953 1.00 1.00 C ATOM 704 O VAL A 46 2.236 9.768 -8.944 1.00 1.00 O ATOM 705 CB VAL A 46 -0.382 9.213 -9.626 1.00 1.00 C ATOM 706 CG1 VAL A 46 -1.904 8.990 -9.528 1.00 1.00 C ATOM 707 CG2 VAL A 46 0.070 9.036 -11.083 1.00 1.00 C ATOM 0 H VAL A 46 -1.500 11.898 -9.949 1.00 1.00 H new ATOM 0 HA VAL A 46 -0.491 10.827 -8.195 1.00 1.00 H new ATOM 0 HB VAL A 46 0.119 8.485 -8.988 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -2.146 7.981 -9.863 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -2.224 9.115 -8.494 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -2.419 9.715 -10.158 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.185 8.032 -11.424 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -0.433 9.771 -11.712 1.00 1.00 H new ATOM 0 HG23 VAL A 46 1.149 9.179 -11.149 1.00 1.00 H new ATOM 717 N ASN A 47 1.964 11.994 -8.815 1.00 1.00 N ATOM 718 CA ASN A 47 3.383 12.272 -8.621 1.00 1.00 C ATOM 719 C ASN A 47 3.840 11.810 -7.244 1.00 1.00 C ATOM 720 O ASN A 47 4.930 11.259 -7.093 1.00 1.00 O ATOM 721 CB ASN A 47 3.635 13.783 -8.779 1.00 1.00 C ATOM 722 CG ASN A 47 3.495 14.195 -10.242 1.00 1.00 C ATOM 723 OD1 ASN A 47 3.321 15.453 -10.542 1.00 1.00 O flip ATOM 724 ND2 ASN A 47 3.554 13.348 -11.133 1.00 1.00 N flip ATOM 0 H ASN A 47 1.373 12.825 -8.834 1.00 1.00 H new ATOM 0 HA ASN A 47 3.954 11.725 -9.371 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.927 14.342 -8.168 1.00 1.00 H new ATOM 0 HB3 ASN A 47 4.633 14.031 -8.418 1.00 1.00 H new ATOM 0 HD21 ASN A 47 3.690 12.366 -10.895 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.467 13.628 -12.110 1.00 1.00 H new ATOM 731 N GLU A 48 2.999 12.049 -6.242 1.00 1.00 N ATOM 732 CA GLU A 48 3.298 11.678 -4.850 1.00 1.00 C ATOM 733 C GLU A 48 2.148 10.864 -4.250 1.00 1.00 C ATOM 734 O GLU A 48 2.090 10.657 -3.038 1.00 1.00 O ATOM 735 CB GLU A 48 3.532 12.960 -4.035 1.00 1.00 C ATOM 736 CG GLU A 48 2.340 13.907 -4.195 1.00 1.00 C ATOM 737 CD GLU A 48 2.585 15.195 -3.418 1.00 1.00 C ATOM 738 OE1 GLU A 48 3.239 15.128 -2.391 1.00 1.00 O ATOM 739 OE2 GLU A 48 2.113 16.229 -3.861 1.00 1.00 O ATOM 0 H GLU A 48 2.094 12.503 -6.364 1.00 1.00 H new ATOM 0 HA GLU A 48 4.194 11.058 -4.823 1.00 1.00 H new ATOM 0 HB2 GLU A 48 3.671 12.712 -2.983 1.00 1.00 H new ATOM 0 HB3 GLU A 48 4.445 13.452 -4.370 1.00 1.00 H new ATOM 0 HG2 GLU A 48 2.185 14.134 -5.250 1.00 1.00 H new ATOM 0 HG3 GLU A 48 1.431 13.424 -3.836 1.00 1.00 H new ATOM 746 N LEU A 49 1.240 10.402 -5.103 1.00 1.00 N ATOM 747 CA LEU A 49 0.087 9.594 -4.658 1.00 1.00 C ATOM 748 C LEU A 49 0.406 8.106 -4.829 1.00 1.00 C ATOM 749 O LEU A 49 0.511 7.585 -5.940 1.00 1.00 O ATOM 750 CB LEU A 49 -1.167 9.948 -5.471 1.00 1.00 C ATOM 751 CG LEU A 49 -1.342 11.479 -5.536 1.00 1.00 C ATOM 752 CD1 LEU A 49 -2.613 11.812 -6.332 1.00 1.00 C ATOM 753 CD2 LEU A 49 -1.454 12.070 -4.109 1.00 1.00 C ATOM 0 H LEU A 49 1.271 10.568 -6.109 1.00 1.00 H new ATOM 0 HA LEU A 49 -0.106 9.810 -3.607 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -1.084 9.541 -6.479 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -2.046 9.493 -5.015 1.00 1.00 H new ATOM 0 HG LEU A 49 -0.473 11.915 -6.028 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -2.740 12.894 -6.380 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -2.525 11.412 -7.342 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -3.478 11.367 -5.840 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.577 13.151 -4.172 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -2.315 11.636 -3.602 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -0.548 11.840 -3.548 1.00 1.00 H new ATOM 765 N PHE A 50 0.561 7.421 -3.702 1.00 1.00 N ATOM 766 CA PHE A 50 0.895 5.994 -3.709 1.00 1.00 C ATOM 767 C PHE A 50 0.289 5.269 -2.504 1.00 1.00 C ATOM 768 O PHE A 50 -0.643 5.743 -1.854 1.00 1.00 O ATOM 769 CB PHE A 50 2.425 5.838 -3.685 1.00 1.00 C ATOM 770 CG PHE A 50 3.022 6.426 -4.948 1.00 1.00 C ATOM 771 CD1 PHE A 50 2.919 5.715 -6.147 1.00 1.00 C ATOM 772 CD2 PHE A 50 3.686 7.659 -4.923 1.00 1.00 C ATOM 773 CE1 PHE A 50 3.478 6.229 -7.320 1.00 1.00 C ATOM 774 CE2 PHE A 50 4.243 8.173 -6.097 1.00 1.00 C ATOM 775 CZ PHE A 50 4.140 7.459 -7.294 1.00 1.00 C ATOM 0 H PHE A 50 0.462 7.826 -2.771 1.00 1.00 H new ATOM 0 HA PHE A 50 0.480 5.548 -4.613 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.837 6.340 -2.809 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.691 4.784 -3.603 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.406 4.765 -6.167 1.00 1.00 H new ATOM 0 HD2 PHE A 50 3.767 8.211 -3.998 1.00 1.00 H new ATOM 0 HE1 PHE A 50 3.398 5.677 -8.245 1.00 1.00 H new ATOM 0 HE2 PHE A 50 4.754 9.124 -6.079 1.00 1.00 H new ATOM 0 HZ PHE A 50 4.572 7.858 -8.199 1.00 1.00 H new ATOM 785 N ALA A 51 0.854 4.100 -2.217 1.00 1.00 N ATOM 786 CA ALA A 51 0.415 3.272 -1.085 1.00 1.00 C ATOM 787 C ALA A 51 1.569 3.148 -0.112 1.00 1.00 C ATOM 788 O ALA A 51 2.729 3.045 -0.515 1.00 1.00 O ATOM 789 CB ALA A 51 -0.017 1.885 -1.577 1.00 1.00 C ATOM 0 H ALA A 51 1.623 3.698 -2.754 1.00 1.00 H new ATOM 0 HA ALA A 51 -0.440 3.736 -0.593 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -0.340 1.282 -0.728 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -0.842 1.990 -2.282 1.00 1.00 H new ATOM 0 HB3 ALA A 51 0.823 1.396 -2.071 1.00 1.00 H new ATOM 795 N TYR A 52 1.270 3.158 1.182 1.00 1.00 N ATOM 796 CA TYR A 52 2.327 3.065 2.203 1.00 1.00 C ATOM 797 C TYR A 52 1.982 2.078 3.302 1.00 1.00 C ATOM 798 O TYR A 52 0.892 1.508 3.349 1.00 1.00 O ATOM 799 CB TYR A 52 2.563 4.443 2.816 1.00 1.00 C ATOM 800 CG TYR A 52 2.884 5.435 1.714 1.00 1.00 C ATOM 801 CD1 TYR A 52 1.847 6.132 1.077 1.00 1.00 C ATOM 802 CD2 TYR A 52 4.214 5.656 1.324 1.00 1.00 C ATOM 803 CE1 TYR A 52 2.137 7.042 0.055 1.00 1.00 C ATOM 804 CE2 TYR A 52 4.501 6.570 0.306 1.00 1.00 C ATOM 805 CZ TYR A 52 3.465 7.263 -0.330 1.00 1.00 C ATOM 806 OH TYR A 52 3.750 8.158 -1.340 1.00 1.00 O ATOM 0 H TYR A 52 0.322 3.228 1.553 1.00 1.00 H new ATOM 0 HA TYR A 52 3.230 2.705 1.709 1.00 1.00 H new ATOM 0 HB2 TYR A 52 1.678 4.766 3.365 1.00 1.00 H new ATOM 0 HB3 TYR A 52 3.384 4.399 3.532 1.00 1.00 H new ATOM 0 HD1 TYR A 52 0.823 5.966 1.376 1.00 1.00 H new ATOM 0 HD2 TYR A 52 5.016 5.120 1.810 1.00 1.00 H new ATOM 0 HE1 TYR A 52 1.336 7.574 -0.437 1.00 1.00 H new ATOM 0 HE2 TYR A 52 5.525 6.742 0.010 1.00 1.00 H new ATOM 0 HH TYR A 52 4.719 8.193 -1.482 1.00 1.00 H new ATOM 816 N VAL A 53 2.945 1.879 4.196 1.00 1.00 N ATOM 817 CA VAL A 53 2.779 0.958 5.326 1.00 1.00 C ATOM 818 C VAL A 53 3.383 1.583 6.583 1.00 1.00 C ATOM 819 O VAL A 53 4.383 2.300 6.525 1.00 1.00 O ATOM 820 CB VAL A 53 3.466 -0.389 5.010 1.00 1.00 C ATOM 821 CG1 VAL A 53 2.645 -1.171 3.973 1.00 1.00 C ATOM 822 CG2 VAL A 53 4.867 -0.129 4.441 1.00 1.00 C ATOM 0 H VAL A 53 3.853 2.343 4.164 1.00 1.00 H new ATOM 0 HA VAL A 53 1.718 0.775 5.495 1.00 1.00 H new ATOM 0 HB VAL A 53 3.538 -0.971 5.929 1.00 1.00 H new ATOM 0 HG11 VAL A 53 3.139 -2.119 3.758 1.00 1.00 H new ATOM 0 HG12 VAL A 53 1.648 -1.363 4.368 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.566 -0.587 3.056 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.351 -1.080 4.218 1.00 1.00 H new ATOM 0 HG22 VAL A 53 4.785 0.460 3.527 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.461 0.418 5.173 1.00 1.00 H new ATOM 832 N ASP A 54 2.769 1.302 7.728 1.00 1.00 N ATOM 833 CA ASP A 54 3.252 1.851 9.002 1.00 1.00 C ATOM 834 C ASP A 54 4.326 0.945 9.596 1.00 1.00 C ATOM 835 O ASP A 54 4.060 0.112 10.462 1.00 1.00 O ATOM 836 CB ASP A 54 2.078 1.979 9.978 1.00 1.00 C ATOM 837 CG ASP A 54 1.079 3.017 9.468 1.00 1.00 C ATOM 838 OD1 ASP A 54 1.470 3.842 8.657 1.00 1.00 O ATOM 839 OD2 ASP A 54 -0.061 2.969 9.893 1.00 1.00 O ATOM 0 H ASP A 54 1.945 0.705 7.806 1.00 1.00 H new ATOM 0 HA ASP A 54 3.687 2.835 8.825 1.00 1.00 H new ATOM 0 HB2 ASP A 54 1.584 1.014 10.093 1.00 1.00 H new ATOM 0 HB3 ASP A 54 2.444 2.269 10.963 1.00 1.00 H new ATOM 844 N LEU A 55 5.553 1.129 9.122 1.00 1.00 N ATOM 845 CA LEU A 55 6.689 0.328 9.607 1.00 1.00 C ATOM 846 C LEU A 55 7.216 0.909 10.920 1.00 1.00 C ATOM 847 O LEU A 55 7.987 0.261 11.627 1.00 1.00 O ATOM 848 CB LEU A 55 7.813 0.286 8.518 1.00 1.00 C ATOM 849 CG LEU A 55 8.066 -1.159 8.016 1.00 1.00 C ATOM 850 CD1 LEU A 55 6.899 -1.628 7.133 1.00 1.00 C ATOM 851 CD2 LEU A 55 9.359 -1.198 7.190 1.00 1.00 C ATOM 0 H LEU A 55 5.793 1.817 8.409 1.00 1.00 H new ATOM 0 HA LEU A 55 6.358 -0.693 9.797 1.00 1.00 H new ATOM 0 HB2 LEU A 55 7.530 0.920 7.677 1.00 1.00 H new ATOM 0 HB3 LEU A 55 8.735 0.696 8.930 1.00 1.00 H new ATOM 0 HG LEU A 55 8.154 -1.818 8.880 1.00 1.00 H new ATOM 0 HD11 LEU A 55 7.090 -2.644 6.787 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.975 -1.609 7.711 1.00 1.00 H new ATOM 0 HD13 LEU A 55 6.803 -0.964 6.274 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.535 -2.214 6.838 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.265 -0.529 6.335 1.00 1.00 H new ATOM 0 HD23 LEU A 55 10.197 -0.878 7.810 1.00 1.00 H new ATOM 863 N SER A 56 6.791 2.128 11.233 1.00 1.00 N ATOM 864 CA SER A 56 7.203 2.839 12.467 1.00 1.00 C ATOM 865 C SER A 56 8.498 2.278 13.074 1.00 1.00 C ATOM 866 O SER A 56 9.599 2.602 12.629 1.00 1.00 O ATOM 867 CB SER A 56 6.073 2.758 13.492 1.00 1.00 C ATOM 868 OG SER A 56 5.788 1.393 13.760 1.00 1.00 O ATOM 0 H SER A 56 6.150 2.663 10.647 1.00 1.00 H new ATOM 0 HA SER A 56 7.405 3.876 12.197 1.00 1.00 H new ATOM 0 HB2 SER A 56 6.361 3.270 14.410 1.00 1.00 H new ATOM 0 HB3 SER A 56 5.184 3.261 13.112 1.00 1.00 H new ATOM 0 HG SER A 56 5.065 1.333 14.418 1.00 1.00 H new ATOM 874 N GLY A 57 8.364 1.415 14.076 1.00 1.00 N ATOM 875 CA GLY A 57 9.523 0.807 14.713 1.00 1.00 C ATOM 876 C GLY A 57 10.332 -0.004 13.697 1.00 1.00 C ATOM 877 O GLY A 57 11.411 0.408 13.272 1.00 1.00 O ATOM 0 H GLY A 57 7.466 1.123 14.462 1.00 1.00 H new ATOM 0 HA2 GLY A 57 10.152 1.582 15.152 1.00 1.00 H new ATOM 0 HA3 GLY A 57 9.199 0.160 15.528 1.00 1.00 H new ATOM 881 N SER A 58 9.808 -1.168 13.328 1.00 1.00 N ATOM 882 CA SER A 58 10.443 -2.094 12.339 1.00 1.00 C ATOM 883 C SER A 58 11.138 -3.261 13.034 1.00 1.00 C ATOM 884 O SER A 58 12.268 -3.604 12.683 1.00 1.00 O ATOM 885 CB SER A 58 11.474 -1.394 11.412 1.00 1.00 C ATOM 886 OG SER A 58 10.951 -0.152 10.972 1.00 1.00 O ATOM 0 H SER A 58 8.924 -1.517 13.698 1.00 1.00 H new ATOM 0 HA SER A 58 9.619 -2.455 11.723 1.00 1.00 H new ATOM 0 HB2 SER A 58 12.411 -1.237 11.946 1.00 1.00 H new ATOM 0 HB3 SER A 58 11.698 -2.030 10.555 1.00 1.00 H new ATOM 0 HG SER A 58 11.111 0.531 11.656 1.00 1.00 H new ATOM 892 N GLU A 59 10.474 -3.869 14.013 1.00 1.00 N ATOM 893 CA GLU A 59 11.063 -4.984 14.750 1.00 1.00 C ATOM 894 C GLU A 59 11.040 -6.291 13.920 1.00 1.00 C ATOM 895 O GLU A 59 9.988 -6.648 13.390 1.00 1.00 O ATOM 896 CB GLU A 59 10.294 -5.189 16.068 1.00 1.00 C ATOM 897 CG GLU A 59 10.508 -3.978 16.995 1.00 1.00 C ATOM 898 CD GLU A 59 9.855 -2.737 16.393 1.00 1.00 C ATOM 899 OE1 GLU A 59 8.666 -2.792 16.124 1.00 1.00 O ATOM 900 OE2 GLU A 59 10.555 -1.759 16.194 1.00 1.00 O ATOM 0 H GLU A 59 9.534 -3.611 14.313 1.00 1.00 H new ATOM 0 HA GLU A 59 12.105 -4.741 14.960 1.00 1.00 H new ATOM 0 HB2 GLU A 59 9.231 -5.317 15.863 1.00 1.00 H new ATOM 0 HB3 GLU A 59 10.636 -6.099 16.560 1.00 1.00 H new ATOM 0 HG2 GLU A 59 10.083 -4.182 17.978 1.00 1.00 H new ATOM 0 HG3 GLU A 59 11.574 -3.804 17.139 1.00 1.00 H new ATOM 907 N PRO A 60 12.127 -7.004 13.805 1.00 1.00 N ATOM 908 CA PRO A 60 12.159 -8.294 13.028 1.00 1.00 C ATOM 909 C PRO A 60 10.948 -9.196 13.310 1.00 1.00 C ATOM 910 O PRO A 60 10.057 -8.863 14.092 1.00 1.00 O ATOM 911 CB PRO A 60 13.468 -8.975 13.498 1.00 1.00 C ATOM 912 CG PRO A 60 14.378 -7.845 13.879 1.00 1.00 C ATOM 913 CD PRO A 60 13.465 -6.706 14.384 1.00 1.00 C ATOM 0 HA PRO A 60 12.121 -8.111 11.954 1.00 1.00 H new ATOM 0 HB2 PRO A 60 13.286 -9.638 14.344 1.00 1.00 H new ATOM 0 HB3 PRO A 60 13.904 -9.582 12.705 1.00 1.00 H new ATOM 0 HG2 PRO A 60 15.079 -8.154 14.654 1.00 1.00 H new ATOM 0 HG3 PRO A 60 14.971 -7.518 13.025 1.00 1.00 H new ATOM 0 HD2 PRO A 60 13.428 -6.682 15.473 1.00 1.00 H new ATOM 0 HD3 PRO A 60 13.830 -5.732 14.056 1.00 1.00 H new ATOM 921 N GLY A 61 10.933 -10.359 12.666 1.00 1.00 N ATOM 922 CA GLY A 61 9.854 -11.347 12.832 1.00 1.00 C ATOM 923 C GLY A 61 8.914 -11.325 11.633 1.00 1.00 C ATOM 924 O GLY A 61 9.347 -11.170 10.490 1.00 1.00 O ATOM 0 H GLY A 61 11.662 -10.649 12.015 1.00 1.00 H new ATOM 0 HA2 GLY A 61 10.281 -12.343 12.947 1.00 1.00 H new ATOM 0 HA3 GLY A 61 9.295 -11.133 13.743 1.00 1.00 H new ATOM 928 N GLU A 62 7.617 -11.470 11.884 1.00 1.00 N ATOM 929 CA GLU A 62 6.605 -11.467 10.817 1.00 1.00 C ATOM 930 C GLU A 62 5.388 -10.654 11.262 1.00 1.00 C ATOM 931 O GLU A 62 4.339 -11.202 11.599 1.00 1.00 O ATOM 932 CB GLU A 62 6.186 -12.916 10.491 1.00 1.00 C ATOM 933 CG GLU A 62 7.434 -13.813 10.294 1.00 1.00 C ATOM 934 CD GLU A 62 8.081 -14.173 11.637 1.00 1.00 C ATOM 935 OE1 GLU A 62 7.424 -14.036 12.655 1.00 1.00 O ATOM 936 OE2 GLU A 62 9.230 -14.591 11.620 1.00 1.00 O ATOM 0 H GLU A 62 7.234 -11.592 12.821 1.00 1.00 H new ATOM 0 HA GLU A 62 7.027 -11.011 9.921 1.00 1.00 H new ATOM 0 HB2 GLU A 62 5.570 -13.313 11.298 1.00 1.00 H new ATOM 0 HB3 GLU A 62 5.576 -12.929 9.588 1.00 1.00 H new ATOM 0 HG2 GLU A 62 7.149 -14.725 9.769 1.00 1.00 H new ATOM 0 HG3 GLU A 62 8.160 -13.297 9.665 1.00 1.00 H new ATOM 943 N HIS A 63 5.537 -9.334 11.253 1.00 1.00 N ATOM 944 CA HIS A 63 4.465 -8.429 11.679 1.00 1.00 C ATOM 945 C HIS A 63 3.612 -7.962 10.506 1.00 1.00 C ATOM 946 O HIS A 63 4.115 -7.610 9.441 1.00 1.00 O ATOM 947 CB HIS A 63 5.089 -7.189 12.340 1.00 1.00 C ATOM 948 CG HIS A 63 5.756 -7.545 13.637 1.00 1.00 C ATOM 949 ND1 HIS A 63 5.069 -7.555 14.839 1.00 1.00 N ATOM 950 CD2 HIS A 63 7.053 -7.865 13.941 1.00 1.00 C ATOM 951 CE1 HIS A 63 5.951 -7.868 15.804 1.00 1.00 C ATOM 952 NE2 HIS A 63 7.175 -8.066 15.312 1.00 1.00 N ATOM 0 H HIS A 63 6.391 -8.862 10.955 1.00 1.00 H new ATOM 0 HA HIS A 63 3.828 -8.976 12.374 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.817 -6.741 11.664 1.00 1.00 H new ATOM 0 HB3 HIS A 63 4.317 -6.441 12.518 1.00 1.00 H new ATOM 0 HD2 HIS A 63 7.858 -7.948 13.226 1.00 1.00 H new ATOM 0 HE1 HIS A 63 5.699 -7.949 16.851 1.00 1.00 H new ATOM 0 HE2 HIS A 63 8.019 -8.312 15.830 1.00 1.00 H new ATOM 961 N ASP A 64 2.302 -7.940 10.730 1.00 1.00 N ATOM 962 CA ASP A 64 1.361 -7.485 9.715 1.00 1.00 C ATOM 963 C ASP A 64 1.236 -5.969 9.796 1.00 1.00 C ATOM 964 O ASP A 64 1.199 -5.390 10.882 1.00 1.00 O ATOM 965 CB ASP A 64 0.003 -8.153 9.933 1.00 1.00 C ATOM 966 CG ASP A 64 0.100 -9.663 9.693 1.00 1.00 C ATOM 967 OD1 ASP A 64 1.210 -10.164 9.587 1.00 1.00 O ATOM 968 OD2 ASP A 64 -0.940 -10.296 9.623 1.00 1.00 O ATOM 0 H ASP A 64 1.869 -8.232 11.606 1.00 1.00 H new ATOM 0 HA ASP A 64 1.721 -7.758 8.723 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.343 -7.962 10.949 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.735 -7.719 9.258 1.00 1.00 H new ATOM 973 N TYR A 65 1.181 -5.308 8.645 1.00 1.00 N ATOM 974 CA TYR A 65 1.076 -3.835 8.603 1.00 1.00 C ATOM 975 C TYR A 65 -0.019 -3.375 7.643 1.00 1.00 C ATOM 976 O TYR A 65 -0.064 -3.767 6.477 1.00 1.00 O ATOM 977 CB TYR A 65 2.422 -3.236 8.187 1.00 1.00 C ATOM 978 CG TYR A 65 3.466 -3.574 9.243 1.00 1.00 C ATOM 979 CD1 TYR A 65 3.381 -2.978 10.512 1.00 1.00 C ATOM 980 CD2 TYR A 65 4.511 -4.474 8.962 1.00 1.00 C ATOM 981 CE1 TYR A 65 4.329 -3.276 11.497 1.00 1.00 C ATOM 982 CE2 TYR A 65 5.462 -4.768 9.955 1.00 1.00 C ATOM 983 CZ TYR A 65 5.370 -4.166 11.221 1.00 1.00 C ATOM 984 OH TYR A 65 6.300 -4.461 12.201 1.00 1.00 O ATOM 0 H TYR A 65 1.206 -5.756 7.729 1.00 1.00 H new ATOM 0 HA TYR A 65 0.809 -3.486 9.601 1.00 1.00 H new ATOM 0 HB2 TYR A 65 2.726 -3.631 7.218 1.00 1.00 H new ATOM 0 HB3 TYR A 65 2.335 -2.155 8.077 1.00 1.00 H new ATOM 0 HD1 TYR A 65 2.580 -2.286 10.728 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.582 -4.936 7.989 1.00 1.00 H new ATOM 0 HE1 TYR A 65 4.256 -2.817 12.472 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.265 -5.458 9.744 1.00 1.00 H new ATOM 0 HH TYR A 65 5.879 -4.392 13.083 1.00 1.00 H new ATOM 994 N GLU A 66 -0.900 -2.525 8.159 1.00 1.00 N ATOM 995 CA GLU A 66 -2.011 -1.990 7.390 1.00 1.00 C ATOM 996 C GLU A 66 -1.523 -1.055 6.287 1.00 1.00 C ATOM 997 O GLU A 66 -0.697 -0.171 6.519 1.00 1.00 O ATOM 998 CB GLU A 66 -2.948 -1.220 8.330 1.00 1.00 C ATOM 999 CG GLU A 66 -3.559 -2.178 9.371 1.00 1.00 C ATOM 1000 CD GLU A 66 -2.501 -2.631 10.377 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -1.556 -1.889 10.594 1.00 1.00 O ATOM 1002 OE2 GLU A 66 -2.657 -3.710 10.923 1.00 1.00 O ATOM 0 H GLU A 66 -0.862 -2.189 9.121 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.539 -2.822 6.923 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -2.397 -0.426 8.834 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -3.741 -0.742 7.754 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -4.376 -1.681 9.894 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -3.984 -3.046 8.868 1.00 1.00 H new ATOM 1009 N VAL A 67 -2.050 -1.251 5.083 1.00 1.00 N ATOM 1010 CA VAL A 67 -1.673 -0.420 3.942 1.00 1.00 C ATOM 1011 C VAL A 67 -2.355 0.946 4.035 1.00 1.00 C ATOM 1012 O VAL A 67 -3.577 1.049 4.141 1.00 1.00 O ATOM 1013 CB VAL A 67 -2.099 -1.111 2.647 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -1.647 -0.292 1.427 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -1.480 -2.511 2.584 1.00 1.00 C ATOM 0 H VAL A 67 -2.737 -1.975 4.871 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.592 -0.279 3.948 1.00 1.00 H new ATOM 0 HB VAL A 67 -3.186 -1.190 2.633 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -1.958 -0.798 0.513 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -2.100 0.699 1.466 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -0.561 -0.195 1.436 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -1.785 -3.002 1.660 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -0.393 -2.430 2.611 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.821 -3.098 3.437 1.00 1.00 H new ATOM 1025 N LYS A 68 -1.557 2.007 3.991 1.00 1.00 N ATOM 1026 CA LYS A 68 -2.086 3.383 4.063 1.00 1.00 C ATOM 1027 C LYS A 68 -1.943 4.077 2.703 1.00 1.00 C ATOM 1028 O LYS A 68 -0.849 4.229 2.161 1.00 1.00 O ATOM 1029 CB LYS A 68 -1.333 4.174 5.140 1.00 1.00 C ATOM 1030 CG LYS A 68 -2.004 5.537 5.352 1.00 1.00 C ATOM 1031 CD LYS A 68 -1.310 6.276 6.493 1.00 1.00 C ATOM 1032 CE LYS A 68 -2.005 7.618 6.719 1.00 1.00 C ATOM 1033 NZ LYS A 68 -1.954 8.423 5.466 1.00 1.00 N ATOM 0 H LYS A 68 -0.542 1.951 3.906 1.00 1.00 H new ATOM 0 HA LYS A 68 -3.143 3.343 4.325 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -1.324 3.614 6.075 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -0.294 4.313 4.842 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -1.950 6.127 4.437 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -3.061 5.402 5.582 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -1.344 5.678 7.403 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -0.258 6.433 6.254 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -3.041 7.457 7.018 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -1.519 8.159 7.531 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -2.090 9.429 5.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -1.029 8.294 5.008 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -2.707 8.109 4.821 1.00 1.00 H new ATOM 1047 N VAL A 69 -3.072 4.509 2.152 1.00 1.00 N ATOM 1048 CA VAL A 69 -3.091 5.186 0.834 1.00 1.00 C ATOM 1049 C VAL A 69 -3.418 6.666 0.985 1.00 1.00 C ATOM 1050 O VAL A 69 -4.403 7.032 1.627 1.00 1.00 O ATOM 1051 CB VAL A 69 -4.131 4.508 -0.084 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -3.654 3.095 -0.426 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -5.492 4.421 0.624 1.00 1.00 C ATOM 0 H VAL A 69 -3.990 4.409 2.586 1.00 1.00 H new ATOM 0 HA VAL A 69 -2.100 5.100 0.388 1.00 1.00 H new ATOM 0 HB VAL A 69 -4.240 5.099 -0.993 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -4.385 2.611 -1.074 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -2.694 3.149 -0.939 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -3.543 2.516 0.491 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -6.215 3.941 -0.035 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -5.390 3.836 1.538 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -5.838 5.424 0.872 1.00 1.00 H new ATOM 1063 N GLU A 70 -2.595 7.513 0.373 1.00 1.00 N ATOM 1064 CA GLU A 70 -2.791 8.953 0.440 1.00 1.00 C ATOM 1065 C GLU A 70 -4.256 9.322 0.074 1.00 1.00 C ATOM 1066 O GLU A 70 -4.731 8.896 -0.979 1.00 1.00 O ATOM 1067 CB GLU A 70 -1.812 9.645 -0.533 1.00 1.00 C ATOM 1068 CG GLU A 70 -1.789 11.164 -0.280 1.00 1.00 C ATOM 1069 CD GLU A 70 -1.108 11.476 1.052 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -0.204 10.744 1.421 1.00 1.00 O ATOM 1071 OE2 GLU A 70 -1.500 12.444 1.683 1.00 1.00 O ATOM 0 H GLU A 70 -1.785 7.223 -0.175 1.00 1.00 H new ATOM 0 HA GLU A 70 -2.597 9.293 1.457 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -0.811 9.233 -0.406 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.110 9.446 -1.562 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -1.261 11.665 -1.091 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -2.807 11.553 -0.274 1.00 1.00 H new ATOM 1078 N PRO A 71 -4.957 10.075 0.876 1.00 1.00 N ATOM 1079 CA PRO A 71 -6.381 10.450 0.565 1.00 1.00 C ATOM 1080 C PRO A 71 -6.475 11.489 -0.562 1.00 1.00 C ATOM 1081 O PRO A 71 -6.092 12.647 -0.395 1.00 1.00 O ATOM 1082 CB PRO A 71 -6.906 11.020 1.907 1.00 1.00 C ATOM 1083 CG PRO A 71 -5.683 11.586 2.573 1.00 1.00 C ATOM 1084 CD PRO A 71 -4.517 10.669 2.162 1.00 1.00 C ATOM 0 HA PRO A 71 -6.963 9.602 0.204 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -7.662 11.788 1.744 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -7.367 10.243 2.516 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -5.504 12.613 2.254 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -5.802 11.605 3.656 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -3.591 11.231 2.045 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -4.331 9.901 2.913 1.00 1.00 H new ATOM 1092 N ILE A 72 -7.007 11.076 -1.708 1.00 1.00 N ATOM 1093 CA ILE A 72 -7.142 11.984 -2.859 1.00 1.00 C ATOM 1094 C ILE A 72 -8.415 12.868 -2.719 1.00 1.00 C ATOM 1095 O ILE A 72 -9.497 12.335 -2.476 1.00 1.00 O ATOM 1096 CB ILE A 72 -7.199 11.172 -4.182 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -5.914 10.277 -4.337 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -7.316 12.136 -5.402 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -6.177 8.849 -3.828 1.00 1.00 C ATOM 0 H ILE A 72 -7.351 10.130 -1.871 1.00 1.00 H new ATOM 0 HA ILE A 72 -6.270 12.637 -2.882 1.00 1.00 H new ATOM 0 HB ILE A 72 -8.077 10.527 -4.149 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -5.612 10.245 -5.384 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -5.088 10.720 -3.781 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -7.355 11.554 -6.323 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -8.225 12.731 -5.310 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -6.450 12.798 -5.427 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.275 8.249 -3.945 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -6.455 8.884 -2.775 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.988 8.401 -4.403 1.00 1.00 H new ATOM 1111 N PRO A 73 -8.319 14.160 -2.870 1.00 1.00 N ATOM 1112 CA PRO A 73 -9.518 15.063 -2.751 1.00 1.00 C ATOM 1113 C PRO A 73 -10.537 14.848 -3.884 1.00 1.00 C ATOM 1114 O PRO A 73 -10.179 14.648 -5.043 1.00 1.00 O ATOM 1115 CB PRO A 73 -8.915 16.493 -2.791 1.00 1.00 C ATOM 1116 CG PRO A 73 -7.609 16.339 -3.519 1.00 1.00 C ATOM 1117 CD PRO A 73 -7.091 14.937 -3.170 1.00 1.00 C ATOM 0 HA PRO A 73 -10.084 14.866 -1.840 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -9.577 17.187 -3.309 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -8.764 16.887 -1.786 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -7.747 16.447 -4.595 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -6.898 17.105 -3.211 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -6.536 14.500 -4.000 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -6.417 14.963 -2.314 1.00 1.00 H new ATOM 1125 N ASN A 74 -11.821 14.902 -3.541 1.00 1.00 N ATOM 1126 CA ASN A 74 -12.921 14.734 -4.503 1.00 1.00 C ATOM 1127 C ASN A 74 -12.965 13.311 -5.060 1.00 1.00 C ATOM 1128 O ASN A 74 -13.684 13.020 -6.015 1.00 1.00 O ATOM 1129 CB ASN A 74 -12.789 15.742 -5.662 1.00 1.00 C ATOM 1130 CG ASN A 74 -14.080 15.784 -6.475 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -15.171 15.676 -5.914 1.00 1.00 O ATOM 1132 ND2 ASN A 74 -14.021 15.933 -7.770 1.00 1.00 N ATOM 0 H ASN A 74 -12.136 15.064 -2.584 1.00 1.00 H new ATOM 0 HA ASN A 74 -13.852 14.922 -3.968 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -12.567 16.734 -5.267 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -11.955 15.461 -6.305 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -14.880 15.960 -8.320 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -13.116 16.022 -8.232 1.00 1.00 H new ATOM 1139 N ILE A 75 -12.187 12.411 -4.467 1.00 1.00 N ATOM 1140 CA ILE A 75 -12.143 10.997 -4.905 1.00 1.00 C ATOM 1141 C ILE A 75 -12.466 10.085 -3.731 1.00 1.00 C ATOM 1142 O ILE A 75 -11.995 10.265 -2.607 1.00 1.00 O ATOM 1143 CB ILE A 75 -10.747 10.663 -5.504 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -10.693 11.037 -7.023 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -10.370 9.159 -5.306 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -11.304 9.931 -7.912 1.00 1.00 C ATOM 0 H ILE A 75 -11.574 12.624 -3.680 1.00 1.00 H new ATOM 0 HA ILE A 75 -12.890 10.837 -5.683 1.00 1.00 H new ATOM 0 HB ILE A 75 -10.014 11.262 -4.964 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -11.230 11.971 -7.186 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -9.658 11.209 -7.318 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -9.388 8.970 -5.739 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -10.348 8.927 -4.241 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -11.111 8.530 -5.799 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -11.246 10.232 -8.958 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -10.751 9.003 -7.770 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -12.347 9.777 -7.636 1.00 1.00 H new ATOM 1158 N LYS A 76 -13.285 9.077 -4.007 1.00 1.00 N ATOM 1159 CA LYS A 76 -13.701 8.117 -2.989 1.00 1.00 C ATOM 1160 C LYS A 76 -12.841 6.845 -3.047 1.00 1.00 C ATOM 1161 O LYS A 76 -12.780 6.141 -4.055 1.00 1.00 O ATOM 1162 CB LYS A 76 -15.205 7.778 -3.204 1.00 1.00 C ATOM 1163 CG LYS A 76 -15.962 7.717 -1.864 1.00 1.00 C ATOM 1164 CD LYS A 76 -15.420 6.586 -0.962 1.00 1.00 C ATOM 1165 CE LYS A 76 -15.678 5.195 -1.582 1.00 1.00 C ATOM 1166 NZ LYS A 76 -15.682 4.179 -0.492 1.00 1.00 N ATOM 0 H LYS A 76 -13.677 8.902 -4.932 1.00 1.00 H new ATOM 0 HA LYS A 76 -13.564 8.556 -2.001 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -15.661 8.530 -3.848 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -15.294 6.821 -3.719 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -15.869 8.672 -1.348 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -17.024 7.558 -2.051 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -14.350 6.724 -0.807 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -15.894 6.642 0.018 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -16.632 5.187 -2.109 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -14.907 4.959 -2.315 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -16.160 3.317 -0.823 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -14.703 3.952 -0.226 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -16.186 4.559 0.335 1.00 1.00 H new ATOM 1180 N ILE A 77 -12.178 6.542 -1.936 1.00 1.00 N ATOM 1181 CA ILE A 77 -11.330 5.347 -1.852 1.00 1.00 C ATOM 1182 C ILE A 77 -12.178 4.127 -1.502 1.00 1.00 C ATOM 1183 O ILE A 77 -12.408 3.845 -0.325 1.00 1.00 O ATOM 1184 CB ILE A 77 -10.244 5.567 -0.771 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -9.306 4.323 -0.682 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -10.896 5.862 0.626 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -8.581 4.052 -2.018 1.00 1.00 C ATOM 0 H ILE A 77 -12.208 7.101 -1.083 1.00 1.00 H new ATOM 0 HA ILE A 77 -10.852 5.173 -2.816 1.00 1.00 H new ATOM 0 HB ILE A 77 -9.649 6.434 -1.058 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -8.569 4.480 0.106 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -9.891 3.447 -0.402 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -10.113 6.013 1.369 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -11.510 6.760 0.559 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -11.519 5.018 0.922 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -7.938 3.178 -1.912 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -9.317 3.869 -2.801 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -7.975 4.918 -2.285 1.00 1.00 H new ATOM 1199 N VAL A 78 -12.641 3.389 -2.506 1.00 1.00 N ATOM 1200 CA VAL A 78 -13.468 2.203 -2.272 1.00 1.00 C ATOM 1201 C VAL A 78 -12.859 1.323 -1.187 1.00 1.00 C ATOM 1202 O VAL A 78 -13.527 0.986 -0.208 1.00 1.00 O ATOM 1203 CB VAL A 78 -13.607 1.399 -3.574 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -14.427 0.113 -3.339 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -14.311 2.272 -4.615 1.00 1.00 C ATOM 0 H VAL A 78 -12.460 3.588 -3.490 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.453 2.531 -1.939 1.00 1.00 H new ATOM 0 HB VAL A 78 -12.616 1.112 -3.925 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -14.512 -0.440 -4.274 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -13.926 -0.507 -2.595 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -15.422 0.376 -2.981 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -14.417 1.715 -5.546 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.297 2.554 -4.246 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -13.721 3.170 -4.796 1.00 1.00 H new ATOM 1215 N GLU A 79 -11.594 0.943 -1.333 1.00 1.00 N ATOM 1216 CA GLU A 79 -10.933 0.106 -0.341 1.00 1.00 C ATOM 1217 C GLU A 79 -9.426 0.017 -0.633 1.00 1.00 C ATOM 1218 O GLU A 79 -8.730 1.023 -0.763 1.00 1.00 O ATOM 1219 CB GLU A 79 -11.581 -1.311 -0.304 1.00 1.00 C ATOM 1220 CG GLU A 79 -11.228 -2.033 1.014 1.00 1.00 C ATOM 1221 CD GLU A 79 -11.754 -3.465 0.985 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -11.513 -4.146 0.003 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -12.389 -3.861 1.949 1.00 1.00 O ATOM 0 H GLU A 79 -11.008 1.201 -2.127 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.061 0.561 0.641 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -12.663 -1.225 -0.400 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.232 -1.899 -1.153 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -10.147 -2.037 1.157 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -11.659 -1.496 1.859 1.00 1.00 H new ATOM 1230 N ILE A 80 -8.925 -1.211 -0.712 1.00 1.00 N ATOM 1231 CA ILE A 80 -7.500 -1.454 -0.966 1.00 1.00 C ATOM 1232 C ILE A 80 -7.335 -2.822 -1.620 1.00 1.00 C ATOM 1233 O ILE A 80 -7.116 -2.931 -2.825 1.00 1.00 O ATOM 1234 CB ILE A 80 -6.688 -1.412 0.359 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -6.898 -0.050 1.082 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -5.182 -1.617 0.075 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -6.029 0.065 2.344 1.00 1.00 C ATOM 0 H ILE A 80 -9.482 -2.059 -0.604 1.00 1.00 H new ATOM 0 HA ILE A 80 -7.123 -0.674 -1.627 1.00 1.00 H new ATOM 0 HB ILE A 80 -7.044 -2.217 1.002 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -6.657 0.765 0.399 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -7.948 0.060 1.352 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -4.627 -1.585 1.013 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -5.030 -2.585 -0.403 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -4.825 -0.826 -0.585 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -6.204 1.030 2.820 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -6.288 -0.734 3.038 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -4.977 -0.019 2.070 1.00 1.00 H new ATOM 1249 N SER A 81 -7.420 -3.886 -0.825 1.00 1.00 N ATOM 1250 CA SER A 81 -7.281 -5.256 -1.303 1.00 1.00 C ATOM 1251 C SER A 81 -5.911 -5.490 -1.986 1.00 1.00 C ATOM 1252 O SER A 81 -5.766 -5.064 -3.132 1.00 1.00 O ATOM 1253 CB SER A 81 -8.403 -5.588 -2.290 1.00 1.00 C ATOM 1254 OG SER A 81 -8.381 -6.984 -2.553 1.00 1.00 O ATOM 0 H SER A 81 -7.589 -3.819 0.179 1.00 1.00 H new ATOM 0 HA SER A 81 -7.346 -5.911 -0.434 1.00 1.00 H new ATOM 0 HB2 SER A 81 -9.368 -5.297 -1.876 1.00 1.00 H new ATOM 0 HB3 SER A 81 -8.270 -5.027 -3.215 1.00 1.00 H new ATOM 0 HG SER A 81 -9.097 -7.209 -3.183 1.00 1.00 H new ATOM 1260 N PRO A 82 -4.944 -6.104 -1.361 1.00 1.00 N ATOM 1261 CA PRO A 82 -5.020 -6.663 0.042 1.00 1.00 C ATOM 1262 C PRO A 82 -5.139 -5.551 1.094 1.00 1.00 C ATOM 1263 O PRO A 82 -4.394 -4.571 1.065 1.00 1.00 O ATOM 1264 CB PRO A 82 -3.687 -7.472 0.203 1.00 1.00 C ATOM 1265 CG PRO A 82 -3.125 -7.594 -1.190 1.00 1.00 C ATOM 1266 CD PRO A 82 -3.607 -6.345 -1.935 1.00 1.00 C ATOM 0 HA PRO A 82 -5.904 -7.283 0.192 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -2.991 -6.956 0.864 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -3.873 -8.453 0.640 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -2.036 -7.644 -1.171 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -3.478 -8.503 -1.678 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -2.941 -5.498 -1.773 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -3.655 -6.512 -3.011 1.00 1.00 H new ATOM 1274 N ARG A 83 -6.051 -5.713 2.046 1.00 1.00 N ATOM 1275 CA ARG A 83 -6.233 -4.720 3.104 1.00 1.00 C ATOM 1276 C ARG A 83 -4.991 -4.677 3.986 1.00 1.00 C ATOM 1277 O ARG A 83 -4.500 -3.612 4.363 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.465 -5.087 3.943 1.00 1.00 C ATOM 1279 CG ARG A 83 -8.744 -4.861 3.124 1.00 1.00 C ATOM 1280 CD ARG A 83 -9.956 -5.350 3.923 1.00 1.00 C ATOM 1281 NE ARG A 83 -9.916 -6.803 4.029 1.00 1.00 N ATOM 1282 CZ ARG A 83 -10.867 -7.483 4.662 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -11.870 -6.856 5.226 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -10.795 -8.783 4.721 1.00 1.00 N ATOM 0 H ARG A 83 -6.674 -6.518 2.109 1.00 1.00 H new ATOM 0 HA ARG A 83 -6.384 -3.736 2.660 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.404 -6.129 4.257 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -7.492 -4.482 4.849 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -8.854 -3.803 2.887 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -8.681 -5.395 2.176 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.954 -4.902 4.917 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.878 -5.036 3.434 1.00 1.00 H new ATOM 0 HE ARG A 83 -9.139 -7.311 3.607 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -11.925 -5.838 5.181 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -12.595 -7.385 5.710 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -10.013 -9.271 4.284 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -11.520 -9.313 5.205 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.473 -5.853 4.325 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.274 -5.984 5.165 1.00 1.00 C ATOM 1300 C VAL A 84 -2.285 -6.934 4.492 1.00 1.00 C ATOM 1301 O VAL A 84 -2.678 -7.806 3.718 1.00 1.00 O ATOM 1302 CB VAL A 84 -3.669 -6.535 6.541 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.471 -6.482 7.493 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -4.812 -5.694 7.118 1.00 1.00 C ATOM 0 H VAL A 84 -4.868 -6.746 4.028 1.00 1.00 H new ATOM 0 HA VAL A 84 -2.808 -5.007 5.291 1.00 1.00 H new ATOM 0 HB VAL A 84 -3.992 -7.570 6.430 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -2.762 -6.875 8.467 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -1.657 -7.083 7.088 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.139 -5.450 7.603 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.094 -6.085 8.096 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.486 -4.659 7.221 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.671 -5.739 6.448 1.00 1.00 H new ATOM 1314 N VAL A 85 -0.997 -6.764 4.777 1.00 1.00 N ATOM 1315 CA VAL A 85 0.040 -7.621 4.181 1.00 1.00 C ATOM 1316 C VAL A 85 1.195 -7.871 5.161 1.00 1.00 C ATOM 1317 O VAL A 85 1.692 -6.957 5.819 1.00 1.00 O ATOM 1318 CB VAL A 85 0.566 -6.976 2.875 1.00 1.00 C ATOM 1319 CG1 VAL A 85 0.914 -5.503 3.120 1.00 1.00 C ATOM 1320 CG2 VAL A 85 1.825 -7.718 2.366 1.00 1.00 C ATOM 0 H VAL A 85 -0.642 -6.048 5.411 1.00 1.00 H new ATOM 0 HA VAL A 85 -0.408 -8.588 3.950 1.00 1.00 H new ATOM 0 HB VAL A 85 -0.218 -7.048 2.121 1.00 1.00 H new ATOM 0 HG11 VAL A 85 1.283 -5.058 2.196 1.00 1.00 H new ATOM 0 HG12 VAL A 85 0.023 -4.969 3.450 1.00 1.00 H new ATOM 0 HG13 VAL A 85 1.684 -5.434 3.889 1.00 1.00 H new ATOM 0 HG21 VAL A 85 2.178 -7.248 1.448 1.00 1.00 H new ATOM 0 HG22 VAL A 85 2.608 -7.668 3.123 1.00 1.00 H new ATOM 0 HG23 VAL A 85 1.578 -8.761 2.168 1.00 1.00 H new ATOM 1330 N THR A 86 1.629 -9.127 5.219 1.00 1.00 N ATOM 1331 CA THR A 86 2.735 -9.544 6.080 1.00 1.00 C ATOM 1332 C THR A 86 4.074 -9.227 5.419 1.00 1.00 C ATOM 1333 O THR A 86 4.316 -9.562 4.260 1.00 1.00 O ATOM 1334 CB THR A 86 2.633 -11.052 6.333 1.00 1.00 C ATOM 1335 OG1 THR A 86 1.339 -11.358 6.840 1.00 1.00 O ATOM 1336 CG2 THR A 86 3.700 -11.489 7.343 1.00 1.00 C ATOM 0 H THR A 86 1.224 -9.886 4.671 1.00 1.00 H new ATOM 0 HA THR A 86 2.675 -9.003 7.024 1.00 1.00 H new ATOM 0 HB THR A 86 2.795 -11.585 5.396 1.00 1.00 H new ATOM 0 HG1 THR A 86 1.257 -11.016 7.755 1.00 1.00 H new ATOM 0 HG21 THR A 86 3.619 -12.562 7.516 1.00 1.00 H new ATOM 0 HG22 THR A 86 4.690 -11.258 6.949 1.00 1.00 H new ATOM 0 HG23 THR A 86 3.551 -10.958 8.283 1.00 1.00 H new ATOM 1344 N LEU A 87 4.954 -8.581 6.179 1.00 1.00 N ATOM 1345 CA LEU A 87 6.288 -8.208 5.666 1.00 1.00 C ATOM 1346 C LEU A 87 7.363 -8.576 6.684 1.00 1.00 C ATOM 1347 O LEU A 87 7.312 -8.156 7.840 1.00 1.00 O ATOM 1348 CB LEU A 87 6.342 -6.693 5.386 1.00 1.00 C ATOM 1349 CG LEU A 87 5.179 -6.244 4.462 1.00 1.00 C ATOM 1350 CD1 LEU A 87 5.111 -4.708 4.433 1.00 1.00 C ATOM 1351 CD2 LEU A 87 5.383 -6.757 3.022 1.00 1.00 C ATOM 0 H LEU A 87 4.779 -8.303 7.145 1.00 1.00 H new ATOM 0 HA LEU A 87 6.470 -8.752 4.739 1.00 1.00 H new ATOM 0 HB2 LEU A 87 6.292 -6.146 6.327 1.00 1.00 H new ATOM 0 HB3 LEU A 87 7.295 -6.442 4.921 1.00 1.00 H new ATOM 0 HG LEU A 87 4.253 -6.661 4.857 1.00 1.00 H new ATOM 0 HD11 LEU A 87 4.294 -4.392 3.784 1.00 1.00 H new ATOM 0 HD12 LEU A 87 4.939 -4.332 5.442 1.00 1.00 H new ATOM 0 HD13 LEU A 87 6.051 -4.309 4.053 1.00 1.00 H new ATOM 0 HD21 LEU A 87 4.553 -6.427 2.397 1.00 1.00 H new ATOM 0 HD22 LEU A 87 6.317 -6.361 2.623 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.423 -7.846 3.026 1.00 1.00 H new ATOM 1363 N GLN A 88 8.341 -9.364 6.247 1.00 1.00 N ATOM 1364 CA GLN A 88 9.435 -9.796 7.117 1.00 1.00 C ATOM 1365 C GLN A 88 10.624 -8.847 6.993 1.00 1.00 C ATOM 1366 O GLN A 88 11.180 -8.645 5.914 1.00 1.00 O ATOM 1367 CB GLN A 88 9.858 -11.217 6.740 1.00 1.00 C ATOM 1368 CG GLN A 88 8.634 -12.162 6.804 1.00 1.00 C ATOM 1369 CD GLN A 88 7.722 -11.948 5.595 1.00 1.00 C ATOM 1370 OE1 GLN A 88 8.123 -11.313 4.620 1.00 1.00 O ATOM 1371 NE2 GLN A 88 6.514 -12.441 5.605 1.00 1.00 N ATOM 0 H GLN A 88 8.400 -9.719 5.292 1.00 1.00 H new ATOM 0 HA GLN A 88 9.090 -9.783 8.151 1.00 1.00 H new ATOM 0 HB2 GLN A 88 10.284 -11.226 5.737 1.00 1.00 H new ATOM 0 HB3 GLN A 88 10.635 -11.567 7.419 1.00 1.00 H new ATOM 0 HG2 GLN A 88 8.970 -13.199 6.834 1.00 1.00 H new ATOM 0 HG3 GLN A 88 8.076 -11.981 7.723 1.00 1.00 H new ATOM 0 HE21 GLN A 88 6.184 -12.967 6.414 1.00 1.00 H new ATOM 0 HE22 GLN A 88 5.899 -12.301 4.803 1.00 1.00 H new ATOM 1380 N LEU A 89 11.008 -8.262 8.123 1.00 1.00 N ATOM 1381 CA LEU A 89 12.128 -7.315 8.168 1.00 1.00 C ATOM 1382 C LEU A 89 13.396 -8.036 8.606 1.00 1.00 C ATOM 1383 O LEU A 89 13.344 -9.129 9.168 1.00 1.00 O ATOM 1384 CB LEU A 89 11.807 -6.174 9.159 1.00 1.00 C ATOM 1385 CG LEU A 89 10.326 -5.777 9.058 1.00 1.00 C ATOM 1386 CD1 LEU A 89 10.053 -4.661 10.059 1.00 1.00 C ATOM 1387 CD2 LEU A 89 9.998 -5.279 7.636 1.00 1.00 C ATOM 0 H LEU A 89 10.561 -8.425 9.025 1.00 1.00 H new ATOM 0 HA LEU A 89 12.281 -6.894 7.174 1.00 1.00 H new ATOM 0 HB2 LEU A 89 12.036 -6.492 10.176 1.00 1.00 H new ATOM 0 HB3 LEU A 89 12.437 -5.310 8.945 1.00 1.00 H new ATOM 0 HG LEU A 89 9.703 -6.645 9.275 1.00 1.00 H new ATOM 0 HD11 LEU A 89 9.005 -4.367 10.000 1.00 1.00 H new ATOM 0 HD12 LEU A 89 10.275 -5.013 11.066 1.00 1.00 H new ATOM 0 HD13 LEU A 89 10.684 -3.803 9.828 1.00 1.00 H new ATOM 0 HD21 LEU A 89 8.945 -5.002 7.581 1.00 1.00 H new ATOM 0 HD22 LEU A 89 10.614 -4.411 7.403 1.00 1.00 H new ATOM 0 HD23 LEU A 89 10.202 -6.072 6.917 1.00 1.00 H new ATOM 1399 N GLU A 90 14.544 -7.419 8.344 1.00 1.00 N ATOM 1400 CA GLU A 90 15.821 -8.023 8.728 1.00 1.00 C ATOM 1401 C GLU A 90 16.884 -6.953 8.960 1.00 1.00 C ATOM 1402 O GLU A 90 16.853 -5.872 8.369 1.00 1.00 O ATOM 1403 CB GLU A 90 16.281 -9.000 7.640 1.00 1.00 C ATOM 1404 CG GLU A 90 17.550 -9.736 8.096 1.00 1.00 C ATOM 1405 CD GLU A 90 17.934 -10.813 7.087 1.00 1.00 C ATOM 1406 OE1 GLU A 90 17.440 -10.762 5.973 1.00 1.00 O ATOM 1407 OE2 GLU A 90 18.713 -11.679 7.447 1.00 1.00 O ATOM 0 H GLU A 90 14.620 -6.516 7.875 1.00 1.00 H new ATOM 0 HA GLU A 90 15.679 -8.566 9.662 1.00 1.00 H new ATOM 0 HB2 GLU A 90 15.490 -9.719 7.428 1.00 1.00 H new ATOM 0 HB3 GLU A 90 16.477 -8.460 6.714 1.00 1.00 H new ATOM 0 HG2 GLU A 90 18.369 -9.026 8.208 1.00 1.00 H new ATOM 0 HG3 GLU A 90 17.384 -10.188 9.074 1.00 1.00 H new ATOM 1414 N HIS A 91 17.835 -7.273 9.831 1.00 1.00 N ATOM 1415 CA HIS A 91 18.914 -6.349 10.154 1.00 1.00 C ATOM 1416 C HIS A 91 19.810 -6.121 8.940 1.00 1.00 C ATOM 1417 O HIS A 91 20.120 -7.052 8.197 1.00 1.00 O ATOM 1418 CB HIS A 91 19.739 -6.917 11.311 1.00 1.00 C ATOM 1419 CG HIS A 91 20.253 -8.283 10.939 1.00 1.00 C ATOM 1420 ND1 HIS A 91 19.403 -9.339 10.642 1.00 1.00 N ATOM 1421 CD2 HIS A 91 21.525 -8.785 10.823 1.00 1.00 C ATOM 1422 CE1 HIS A 91 20.169 -10.410 10.364 1.00 1.00 C ATOM 1423 NE2 HIS A 91 21.470 -10.127 10.460 1.00 1.00 N ATOM 0 H HIS A 91 17.880 -8.164 10.325 1.00 1.00 H new ATOM 0 HA HIS A 91 18.483 -5.392 10.446 1.00 1.00 H new ATOM 0 HB2 HIS A 91 20.573 -6.252 11.538 1.00 1.00 H new ATOM 0 HB3 HIS A 91 19.128 -6.980 12.211 1.00 1.00 H new ATOM 0 HD2 HIS A 91 22.432 -8.223 10.989 1.00 1.00 H new ATOM 0 HE1 HIS A 91 19.779 -11.381 10.096 1.00 1.00 H new ATOM 0 HE2 HIS A 91 22.255 -10.759 10.301 1.00 1.00 H new ATOM 1432 N HIS A 92 20.227 -4.876 8.740 1.00 1.00 N ATOM 1433 CA HIS A 92 21.080 -4.513 7.612 1.00 1.00 C ATOM 1434 C HIS A 92 22.447 -5.181 7.718 1.00 1.00 C ATOM 1435 O HIS A 92 23.463 -4.526 7.948 1.00 1.00 O ATOM 1436 CB HIS A 92 21.251 -2.987 7.571 1.00 1.00 C ATOM 1437 CG HIS A 92 21.961 -2.579 6.306 1.00 1.00 C ATOM 1438 ND1 HIS A 92 23.294 -2.197 6.292 1.00 1.00 N ATOM 1439 CD2 HIS A 92 21.531 -2.480 5.006 1.00 1.00 C ATOM 1440 CE1 HIS A 92 23.615 -1.889 5.021 1.00 1.00 C ATOM 1441 NE2 HIS A 92 22.576 -2.045 4.196 1.00 1.00 N ATOM 0 H HIS A 92 19.986 -4.094 9.349 1.00 1.00 H new ATOM 0 HA HIS A 92 20.604 -4.858 6.694 1.00 1.00 H new ATOM 0 HB2 HIS A 92 20.276 -2.503 7.622 1.00 1.00 H new ATOM 0 HB3 HIS A 92 21.819 -2.653 8.440 1.00 1.00 H new ATOM 0 HD2 HIS A 92 20.532 -2.706 4.663 1.00 1.00 H new ATOM 0 HE1 HIS A 92 24.593 -1.556 4.707 1.00 1.00 H new ATOM 0 HE2 HIS A 92 22.553 -1.881 3.190 1.00 1.00 H new