USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 12 SER OG : rot -6:sc= 2.16 USER MOD Set 1.2: A 14 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 5 SER OG : rot -14:sc= 0.568 USER MOD Single : A 16 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0298) USER MOD Single : A 24 CYS SG : rot 36:sc= 0.954 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc=-0.00663 (180deg=-0.109) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= -1 (180deg=-1.01) USER MOD Single : A 35 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.86) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= -0.0204 (180deg=-0.187) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= -0.0612 (180deg=-0.0846) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.15! C(o=-4.2!,f=-4.8!) USER MOD Single : A 53 TYR OH : rot -144:sc= 0.308 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= -0.641 (180deg=-0.773) USER MOD Single : A 58 THR OG1 : rot -78:sc= 1.2 USER MOD Single : A 61 SER OG : rot 27:sc= 0.648 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -144:sc= 2.36 (180deg=1.85) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -9.563 -3.318 4.388 1.00 0.00 N ATOM 46 CA SER A 5 -9.545 -1.928 3.954 1.00 0.00 C ATOM 47 C SER A 5 -9.185 -0.998 5.104 1.00 0.00 C ATOM 48 O SER A 5 -9.943 -0.842 6.062 1.00 0.00 O ATOM 49 CB SER A 5 -10.891 -1.557 3.341 1.00 0.00 C ATOM 50 OG SER A 5 -11.947 -2.275 3.955 1.00 0.00 O ATOM 0 HA SER A 5 -8.775 -1.811 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.062 -0.486 3.453 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.877 -1.768 2.272 1.00 0.00 H new ATOM 0 HG SER A 5 -11.578 -3.018 4.477 1.00 0.00 H new ATOM 56 N ARG A 6 -8.019 -0.388 4.987 1.00 0.00 N ATOM 57 CA ARG A 6 -7.441 0.381 6.071 1.00 0.00 C ATOM 58 C ARG A 6 -6.853 1.680 5.563 1.00 0.00 C ATOM 59 O ARG A 6 -6.934 1.984 4.380 1.00 0.00 O ATOM 60 CB ARG A 6 -6.354 -0.415 6.770 1.00 0.00 C ATOM 61 CG ARG A 6 -5.192 -0.795 5.871 1.00 0.00 C ATOM 62 CD ARG A 6 -4.216 -1.703 6.594 1.00 0.00 C ATOM 63 NE ARG A 6 -4.874 -2.901 7.117 1.00 0.00 N ATOM 64 CZ ARG A 6 -4.772 -3.314 8.382 1.00 0.00 C ATOM 65 NH1 ARG A 6 -4.056 -2.615 9.256 1.00 0.00 N ATOM 66 NH2 ARG A 6 -5.387 -4.425 8.768 1.00 0.00 N ATOM 0 H ARG A 6 -7.449 -0.412 4.141 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.241 0.604 6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.975 0.167 7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.792 -1.323 7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.567 -1.296 4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.677 0.106 5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.418 -1.995 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.750 -1.157 7.414 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.444 -3.453 6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.583 -1.761 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.979 -2.932 10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.937 -4.963 8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.310 -4.741 9.735 1.00 0.00 H new ATOM 80 N LEU A 7 -6.248 2.424 6.472 1.00 0.00 N ATOM 81 CA LEU A 7 -5.732 3.748 6.174 1.00 0.00 C ATOM 82 C LEU A 7 -4.272 3.663 5.725 1.00 0.00 C ATOM 83 O LEU A 7 -3.373 3.412 6.530 1.00 0.00 O ATOM 84 CB LEU A 7 -5.881 4.639 7.418 1.00 0.00 C ATOM 85 CG LEU A 7 -5.813 6.156 7.186 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.388 6.611 6.919 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.728 6.559 6.038 1.00 0.00 C ATOM 0 H LEU A 7 -6.101 2.128 7.437 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.302 4.188 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.836 4.408 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.100 4.367 8.128 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.155 6.650 8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.374 7.689 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.760 6.363 7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.006 6.108 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.668 7.637 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.417 6.047 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.755 6.282 6.277 1.00 0.00 H new ATOM 99 N TRP A 8 -4.063 3.861 4.431 1.00 0.00 N ATOM 100 CA TRP A 8 -2.735 3.873 3.838 1.00 0.00 C ATOM 101 C TRP A 8 -2.196 5.299 3.811 1.00 0.00 C ATOM 102 O TRP A 8 -2.965 6.254 3.696 1.00 0.00 O ATOM 103 CB TRP A 8 -2.777 3.329 2.402 1.00 0.00 C ATOM 104 CG TRP A 8 -3.222 1.898 2.280 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.456 1.392 2.565 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.436 0.794 1.811 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.484 0.042 2.312 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.258 -0.348 1.845 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.119 0.663 1.363 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.801 -1.604 1.454 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.668 -0.584 0.976 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.508 -1.703 1.019 1.00 0.00 C ATOM 0 H TRP A 8 -4.815 4.019 3.760 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.085 3.239 4.441 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.447 3.954 1.812 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.783 3.424 1.964 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.290 1.969 2.936 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.288 -0.570 2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.465 1.522 1.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.445 -2.470 1.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.350 -0.698 0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.128 -2.663 0.703 1.00 0.00 H new ATOM 123 N VAL A 9 -0.885 5.438 3.912 1.00 0.00 N ATOM 124 CA VAL A 9 -0.234 6.746 3.878 1.00 0.00 C ATOM 125 C VAL A 9 0.997 6.688 2.978 1.00 0.00 C ATOM 126 O VAL A 9 1.724 5.694 2.982 1.00 0.00 O ATOM 127 CB VAL A 9 0.197 7.202 5.295 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.893 8.553 5.241 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.995 7.263 6.235 1.00 0.00 C ATOM 0 H VAL A 9 -0.241 4.655 4.019 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.954 7.465 3.486 1.00 0.00 H new ATOM 0 HB VAL A 9 0.901 6.464 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.186 8.852 6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.780 8.481 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.213 9.296 4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.664 7.586 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.727 7.972 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.450 6.275 6.310 1.00 0.00 H new ATOM 139 N ASP A 10 1.229 7.736 2.189 1.00 0.00 N ATOM 140 CA ASP A 10 2.415 7.768 1.336 1.00 0.00 C ATOM 141 C ASP A 10 3.643 8.194 2.138 1.00 0.00 C ATOM 142 O ASP A 10 3.535 8.547 3.313 1.00 0.00 O ATOM 143 CB ASP A 10 2.226 8.701 0.133 1.00 0.00 C ATOM 144 CG ASP A 10 2.454 10.161 0.471 1.00 0.00 C ATOM 145 OD1 ASP A 10 1.501 10.824 0.907 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.591 10.649 0.294 1.00 0.00 O ATOM 0 H ASP A 10 0.627 8.556 2.122 1.00 0.00 H new ATOM 0 HA ASP A 10 2.568 6.758 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.914 8.406 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.216 8.578 -0.259 1.00 0.00 H new ATOM 151 N ARG A 11 4.802 8.164 1.494 1.00 0.00 N ATOM 152 CA ARG A 11 6.067 8.489 2.147 1.00 0.00 C ATOM 153 C ARG A 11 6.023 9.857 2.820 1.00 0.00 C ATOM 154 O ARG A 11 6.336 9.982 4.005 1.00 0.00 O ATOM 155 CB ARG A 11 7.210 8.458 1.126 1.00 0.00 C ATOM 156 CG ARG A 11 8.550 8.943 1.666 1.00 0.00 C ATOM 157 CD ARG A 11 9.210 7.925 2.585 1.00 0.00 C ATOM 158 NE ARG A 11 8.474 7.702 3.831 1.00 0.00 N ATOM 159 CZ ARG A 11 8.989 7.072 4.890 1.00 0.00 C ATOM 160 NH1 ARG A 11 10.283 6.772 4.914 1.00 0.00 N ATOM 161 NH2 ARG A 11 8.230 6.817 5.947 1.00 0.00 N ATOM 0 H ARG A 11 4.894 7.915 0.509 1.00 0.00 H new ATOM 0 HA ARG A 11 6.239 7.738 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.327 7.438 0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.933 9.073 0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.217 9.161 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.403 9.877 2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.307 6.978 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.219 8.262 2.823 1.00 0.00 H new ATOM 0 HE ARG A 11 7.516 8.047 3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.879 7.023 4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.680 6.291 5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.251 7.102 5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.625 6.336 6.755 1.00 0.00 H new ATOM 175 N SER A 12 5.606 10.867 2.074 1.00 0.00 N ATOM 176 CA SER A 12 5.679 12.239 2.548 1.00 0.00 C ATOM 177 C SER A 12 4.524 12.571 3.489 1.00 0.00 C ATOM 178 O SER A 12 4.563 13.572 4.205 1.00 0.00 O ATOM 179 CB SER A 12 5.704 13.207 1.359 1.00 0.00 C ATOM 180 OG SER A 12 4.596 13.002 0.490 1.00 0.00 O ATOM 0 H SER A 12 5.214 10.763 1.138 1.00 0.00 H new ATOM 0 HA SER A 12 6.603 12.350 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.694 14.234 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.632 13.076 0.803 1.00 0.00 H new ATOM 0 HG SER A 12 4.092 12.214 0.783 1.00 0.00 H new ATOM 186 N GLY A 13 3.507 11.719 3.488 1.00 0.00 N ATOM 187 CA GLY A 13 2.339 11.953 4.311 1.00 0.00 C ATOM 188 C GLY A 13 1.409 12.959 3.677 1.00 0.00 C ATOM 189 O GLY A 13 0.695 13.690 4.365 1.00 0.00 O ATOM 0 H GLY A 13 3.472 10.867 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.809 11.014 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.650 12.311 5.292 1.00 0.00 H new ATOM 193 N THR A 14 1.420 12.995 2.357 1.00 0.00 N ATOM 194 CA THR A 14 0.625 13.944 1.607 1.00 0.00 C ATOM 195 C THR A 14 -0.775 13.388 1.372 1.00 0.00 C ATOM 196 O THR A 14 -1.760 14.125 1.415 1.00 0.00 O ATOM 197 CB THR A 14 1.300 14.287 0.262 1.00 0.00 C ATOM 198 OG1 THR A 14 2.613 14.822 0.503 1.00 0.00 O ATOM 199 CG2 THR A 14 0.481 15.296 -0.534 1.00 0.00 C ATOM 0 H THR A 14 1.979 12.368 1.778 1.00 0.00 H new ATOM 0 HA THR A 14 0.547 14.861 2.190 1.00 0.00 H new ATOM 0 HB THR A 14 1.370 13.369 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.260 14.088 0.562 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.987 15.514 -1.475 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.506 14.882 -0.740 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.376 16.215 0.043 1.00 0.00 H new ATOM 207 N PHE A 15 -0.875 12.085 1.141 1.00 0.00 N ATOM 208 CA PHE A 15 -2.180 11.473 0.991 1.00 0.00 C ATOM 209 C PHE A 15 -2.334 10.247 1.863 1.00 0.00 C ATOM 210 O PHE A 15 -1.400 9.466 2.057 1.00 0.00 O ATOM 211 CB PHE A 15 -2.520 11.145 -0.473 1.00 0.00 C ATOM 212 CG PHE A 15 -1.599 10.173 -1.167 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.740 8.798 -1.005 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.614 10.640 -2.017 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.915 7.920 -1.675 1.00 0.00 C ATOM 216 CE2 PHE A 15 0.215 9.764 -2.684 1.00 0.00 C ATOM 217 CZ PHE A 15 0.064 8.403 -2.515 1.00 0.00 C ATOM 0 H PHE A 15 -0.084 11.447 1.056 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.898 12.221 1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.532 10.743 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.527 12.076 -1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.505 8.414 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.493 11.704 -2.160 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.036 6.855 -1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.984 10.144 -3.340 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.712 7.717 -3.040 1.00 0.00 H new ATOM 227 N LYS A 16 -3.529 10.118 2.406 1.00 0.00 N ATOM 228 CA LYS A 16 -3.911 8.962 3.181 1.00 0.00 C ATOM 229 C LYS A 16 -5.228 8.425 2.647 1.00 0.00 C ATOM 230 O LYS A 16 -6.172 9.184 2.413 1.00 0.00 O ATOM 231 CB LYS A 16 -4.008 9.329 4.667 1.00 0.00 C ATOM 232 CG LYS A 16 -4.818 10.591 4.946 1.00 0.00 C ATOM 233 CD LYS A 16 -4.536 11.143 6.337 1.00 0.00 C ATOM 234 CE LYS A 16 -5.031 10.214 7.434 1.00 0.00 C ATOM 235 NZ LYS A 16 -6.514 10.193 7.523 1.00 0.00 N ATOM 0 H LYS A 16 -4.264 10.819 2.319 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.155 8.182 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.457 8.495 5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.001 9.461 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.581 11.348 4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.881 10.370 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.464 11.301 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.015 12.116 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.665 9.205 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.615 10.530 8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.809 10.494 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.913 10.842 6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.859 9.229 7.342 1.00 0.00 H new ATOM 249 N VAL A 17 -5.284 7.129 2.424 1.00 0.00 N ATOM 250 CA VAL A 17 -6.436 6.524 1.773 1.00 0.00 C ATOM 251 C VAL A 17 -6.892 5.269 2.469 1.00 0.00 C ATOM 252 O VAL A 17 -6.086 4.468 2.918 1.00 0.00 O ATOM 253 CB VAL A 17 -6.157 6.156 0.303 1.00 0.00 C ATOM 254 CG1 VAL A 17 -6.740 7.200 -0.624 1.00 0.00 C ATOM 255 CG2 VAL A 17 -4.667 5.975 0.051 1.00 0.00 C ATOM 0 H VAL A 17 -4.548 6.471 2.682 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.214 7.286 1.825 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.643 5.202 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.534 6.924 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.818 7.260 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.289 8.169 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.504 5.716 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.144 6.903 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.285 5.176 0.686 1.00 0.00 H new ATOM 265 N ASP A 18 -8.192 5.104 2.542 1.00 0.00 N ATOM 266 CA ASP A 18 -8.765 3.848 2.975 1.00 0.00 C ATOM 267 C ASP A 18 -8.768 2.905 1.803 1.00 0.00 C ATOM 268 O ASP A 18 -9.313 3.221 0.754 1.00 0.00 O ATOM 269 CB ASP A 18 -10.187 4.037 3.496 1.00 0.00 C ATOM 270 CG ASP A 18 -11.095 4.722 2.483 1.00 0.00 C ATOM 271 OD1 ASP A 18 -10.862 5.912 2.176 1.00 0.00 O ATOM 272 OD2 ASP A 18 -12.037 4.072 1.981 1.00 0.00 O ATOM 0 H ASP A 18 -8.875 5.824 2.307 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.169 3.443 3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.607 3.065 3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.159 4.628 4.412 1.00 0.00 H new ATOM 277 N ALA A 19 -8.131 1.768 1.957 1.00 0.00 N ATOM 278 CA ALA A 19 -8.011 0.844 0.841 1.00 0.00 C ATOM 279 C ALA A 19 -7.650 -0.558 1.283 1.00 0.00 C ATOM 280 O ALA A 19 -7.099 -0.769 2.365 1.00 0.00 O ATOM 281 CB ALA A 19 -6.978 1.353 -0.155 1.00 0.00 C ATOM 0 H ALA A 19 -7.693 1.459 2.825 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.990 0.793 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.898 0.652 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.286 2.329 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.010 1.443 0.339 1.00 0.00 H new ATOM 287 N GLU A 20 -8.004 -1.509 0.443 1.00 0.00 N ATOM 288 CA GLU A 20 -7.581 -2.883 0.603 1.00 0.00 C ATOM 289 C GLU A 20 -6.713 -3.260 -0.587 1.00 0.00 C ATOM 290 O GLU A 20 -6.940 -2.782 -1.702 1.00 0.00 O ATOM 291 CB GLU A 20 -8.794 -3.811 0.684 1.00 0.00 C ATOM 292 CG GLU A 20 -8.697 -4.851 1.790 1.00 0.00 C ATOM 293 CD GLU A 20 -7.546 -5.820 1.612 1.00 0.00 C ATOM 294 OE1 GLU A 20 -6.398 -5.459 1.951 1.00 0.00 O ATOM 295 OE2 GLU A 20 -7.793 -6.947 1.132 1.00 0.00 O ATOM 0 H GLU A 20 -8.595 -1.349 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.014 -2.988 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.690 -3.210 0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.915 -4.321 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.588 -4.342 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.630 -5.412 1.832 1.00 0.00 H new ATOM 302 N PHE A 21 -5.727 -4.099 -0.349 1.00 0.00 N ATOM 303 CA PHE A 21 -4.801 -4.500 -1.392 1.00 0.00 C ATOM 304 C PHE A 21 -5.409 -5.591 -2.246 1.00 0.00 C ATOM 305 O PHE A 21 -5.905 -6.596 -1.737 1.00 0.00 O ATOM 306 CB PHE A 21 -3.495 -4.985 -0.778 1.00 0.00 C ATOM 307 CG PHE A 21 -2.565 -5.655 -1.755 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.724 -4.916 -2.565 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.536 -7.037 -1.856 1.00 0.00 C ATOM 310 CE1 PHE A 21 -0.875 -5.538 -3.455 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.689 -7.665 -2.743 1.00 0.00 C ATOM 312 CZ PHE A 21 -0.857 -6.915 -3.544 1.00 0.00 C ATOM 0 H PHE A 21 -5.544 -4.520 0.562 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.595 -3.636 -2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.981 -4.136 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.722 -5.683 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.732 -3.838 -2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.187 -7.630 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.224 -4.948 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.678 -8.743 -2.810 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.192 -7.404 -4.241 1.00 0.00 H new ATOM 322 N ILE A 22 -5.364 -5.388 -3.543 1.00 0.00 N ATOM 323 CA ILE A 22 -5.899 -6.362 -4.473 1.00 0.00 C ATOM 324 C ILE A 22 -4.765 -7.055 -5.214 1.00 0.00 C ATOM 325 O ILE A 22 -4.707 -8.281 -5.285 1.00 0.00 O ATOM 326 CB ILE A 22 -6.844 -5.712 -5.507 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.325 -4.336 -5.036 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.039 -6.617 -5.757 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.130 -3.592 -6.081 1.00 0.00 C ATOM 0 H ILE A 22 -4.963 -4.558 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.469 -7.085 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.287 -5.577 -6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.932 -4.459 -4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.461 -3.733 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.701 -6.152 -6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.694 -7.578 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.580 -6.771 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.439 -2.626 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.519 -3.439 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.013 -4.175 -6.344 1.00 0.00 H new ATOM 341 N GLY A 23 -3.856 -6.255 -5.749 1.00 0.00 N ATOM 342 CA GLY A 23 -2.740 -6.795 -6.494 1.00 0.00 C ATOM 343 C GLY A 23 -1.687 -5.746 -6.772 1.00 0.00 C ATOM 344 O GLY A 23 -2.010 -4.596 -7.050 1.00 0.00 O ATOM 0 H GLY A 23 -3.872 -5.237 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.294 -7.618 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.099 -7.208 -7.437 1.00 0.00 H new ATOM 348 N CYS A 24 -0.431 -6.133 -6.683 1.00 0.00 N ATOM 349 CA CYS A 24 0.668 -5.219 -6.937 1.00 0.00 C ATOM 350 C CYS A 24 1.375 -5.622 -8.223 1.00 0.00 C ATOM 351 O CYS A 24 1.709 -6.793 -8.409 1.00 0.00 O ATOM 352 CB CYS A 24 1.637 -5.209 -5.746 1.00 0.00 C ATOM 353 SG CYS A 24 3.154 -4.265 -6.018 1.00 0.00 S ATOM 0 H CYS A 24 -0.143 -7.080 -6.435 1.00 0.00 H new ATOM 0 HA CYS A 24 0.282 -4.207 -7.057 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.121 -4.799 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.903 -6.238 -5.503 1.00 0.00 H new ATOM 0 HG CYS A 24 2.891 -3.223 -6.749 1.00 0.00 H new ATOM 359 N ALA A 25 1.590 -4.662 -9.113 1.00 0.00 N ATOM 360 CA ALA A 25 2.141 -4.959 -10.421 1.00 0.00 C ATOM 361 C ALA A 25 2.921 -3.774 -10.956 1.00 0.00 C ATOM 362 O ALA A 25 2.499 -2.625 -10.806 1.00 0.00 O ATOM 363 CB ALA A 25 1.030 -5.335 -11.389 1.00 0.00 C ATOM 0 H ALA A 25 1.391 -3.675 -8.950 1.00 0.00 H new ATOM 0 HA ALA A 25 2.822 -5.804 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.458 -5.555 -12.367 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.505 -6.215 -11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.329 -4.505 -11.479 1.00 0.00 H new ATOM 369 N LYS A 26 4.071 -4.067 -11.553 1.00 0.00 N ATOM 370 CA LYS A 26 4.916 -3.060 -12.191 1.00 0.00 C ATOM 371 C LYS A 26 5.401 -2.018 -11.185 1.00 0.00 C ATOM 372 O LYS A 26 5.733 -0.891 -11.556 1.00 0.00 O ATOM 373 CB LYS A 26 4.169 -2.375 -13.341 1.00 0.00 C ATOM 374 CG LYS A 26 3.644 -3.339 -14.396 1.00 0.00 C ATOM 375 CD LYS A 26 4.757 -4.188 -14.989 1.00 0.00 C ATOM 376 CE LYS A 26 4.220 -5.157 -16.030 1.00 0.00 C ATOM 377 NZ LYS A 26 3.681 -4.454 -17.225 1.00 0.00 N ATOM 0 H LYS A 26 4.446 -5.014 -11.609 1.00 0.00 H new ATOM 0 HA LYS A 26 5.789 -3.573 -12.594 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.332 -1.809 -12.932 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.836 -1.657 -13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.889 -3.988 -13.952 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.153 -2.777 -15.190 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.507 -3.541 -15.444 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.255 -4.744 -14.195 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.016 -5.835 -16.338 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.435 -5.768 -15.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.467 -5.148 -17.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.812 -3.945 -16.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.387 -3.776 -17.577 1.00 0.00 H new ATOM 391 N GLY A 27 5.452 -2.402 -9.916 1.00 0.00 N ATOM 392 CA GLY A 27 5.936 -1.501 -8.886 1.00 0.00 C ATOM 393 C GLY A 27 4.833 -0.655 -8.280 1.00 0.00 C ATOM 394 O GLY A 27 5.094 0.207 -7.438 1.00 0.00 O ATOM 0 H GLY A 27 5.167 -3.322 -9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.417 -2.081 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.698 -0.847 -9.310 1.00 0.00 H new ATOM 398 N LYS A 28 3.600 -0.879 -8.714 1.00 0.00 N ATOM 399 CA LYS A 28 2.463 -0.147 -8.177 1.00 0.00 C ATOM 400 C LYS A 28 1.526 -1.084 -7.443 1.00 0.00 C ATOM 401 O LYS A 28 1.566 -2.299 -7.633 1.00 0.00 O ATOM 402 CB LYS A 28 1.695 0.552 -9.291 1.00 0.00 C ATOM 403 CG LYS A 28 2.563 1.399 -10.195 1.00 0.00 C ATOM 404 CD LYS A 28 1.716 2.186 -11.178 1.00 0.00 C ATOM 405 CE LYS A 28 2.522 3.274 -11.865 1.00 0.00 C ATOM 406 NZ LYS A 28 1.666 4.156 -12.700 1.00 0.00 N ATOM 0 H LYS A 28 3.363 -1.560 -9.435 1.00 0.00 H new ATOM 0 HA LYS A 28 2.848 0.600 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.184 -0.199 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.925 1.183 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.161 2.084 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.260 0.761 -10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.304 1.510 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.871 2.634 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.037 3.873 -11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.290 2.817 -12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.255 4.885 -13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.194 3.589 -13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.949 4.612 -12.101 1.00 0.00 H new ATOM 420 N ILE A 29 0.680 -0.513 -6.613 1.00 0.00 N ATOM 421 CA ILE A 29 -0.274 -1.277 -5.842 1.00 0.00 C ATOM 422 C ILE A 29 -1.695 -0.947 -6.280 1.00 0.00 C ATOM 423 O ILE A 29 -2.112 0.213 -6.233 1.00 0.00 O ATOM 424 CB ILE A 29 -0.122 -0.971 -4.339 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.315 -1.242 -3.887 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.098 -1.801 -3.525 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.611 -0.772 -2.480 1.00 0.00 C ATOM 0 H ILE A 29 0.635 0.494 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.079 -2.335 -6.015 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.347 0.083 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.510 -2.312 -3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.002 -0.751 -4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.976 -1.572 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.118 -1.568 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.902 -2.860 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.648 -0.999 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.449 0.304 -2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.950 -1.282 -1.779 1.00 0.00 H new ATOM 439 N HIS A 30 -2.424 -1.958 -6.734 1.00 0.00 N ATOM 440 CA HIS A 30 -3.838 -1.794 -7.025 1.00 0.00 C ATOM 441 C HIS A 30 -4.607 -1.882 -5.719 1.00 0.00 C ATOM 442 O HIS A 30 -4.504 -2.875 -4.987 1.00 0.00 O ATOM 443 CB HIS A 30 -4.358 -2.865 -7.988 1.00 0.00 C ATOM 444 CG HIS A 30 -3.751 -2.845 -9.365 1.00 0.00 C ATOM 445 ND1 HIS A 30 -4.495 -2.623 -10.502 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.479 -3.050 -9.791 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.716 -2.694 -11.561 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.486 -2.953 -11.164 1.00 0.00 N ATOM 0 H HIS A 30 -2.060 -2.895 -6.907 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.979 -0.826 -7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.180 -3.845 -7.545 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.438 -2.750 -8.084 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.620 -3.252 -9.168 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.032 -2.562 -12.585 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.675 -3.063 -11.773 1.00 0.00 H new ATOM 457 N LEU A 31 -5.368 -0.850 -5.433 1.00 0.00 N ATOM 458 CA LEU A 31 -6.058 -0.744 -4.160 1.00 0.00 C ATOM 459 C LEU A 31 -7.541 -0.510 -4.360 1.00 0.00 C ATOM 460 O LEU A 31 -7.959 0.241 -5.243 1.00 0.00 O ATOM 461 CB LEU A 31 -5.470 0.394 -3.322 1.00 0.00 C ATOM 462 CG LEU A 31 -4.041 0.182 -2.828 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.525 1.441 -2.147 1.00 0.00 C ATOM 464 CD2 LEU A 31 -3.984 -1.000 -1.875 1.00 0.00 C ATOM 0 H LEU A 31 -5.528 -0.066 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.921 -1.688 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.498 1.309 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.114 0.554 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.403 -0.033 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.505 1.275 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.537 2.269 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.163 1.682 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.960 -1.140 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.632 -0.809 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.320 -1.900 -2.391 1.00 0.00 H new ATOM 476 N HIS A 32 -8.325 -1.167 -3.537 1.00 0.00 N ATOM 477 CA HIS A 32 -9.762 -0.993 -3.541 1.00 0.00 C ATOM 478 C HIS A 32 -10.189 -0.325 -2.242 1.00 0.00 C ATOM 479 O HIS A 32 -10.215 -0.960 -1.187 1.00 0.00 O ATOM 480 CB HIS A 32 -10.461 -2.345 -3.719 1.00 0.00 C ATOM 481 CG HIS A 32 -11.956 -2.257 -3.700 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.735 -2.886 -2.755 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.813 -1.609 -4.522 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.007 -2.627 -2.995 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.084 -1.852 -4.064 1.00 0.00 N ATOM 0 H HIS A 32 -7.987 -1.837 -2.846 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.051 -0.356 -4.377 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.144 -2.786 -4.664 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.135 -3.019 -2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.546 -1.011 -5.381 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.844 -2.987 -2.416 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.944 -1.494 -4.479 1.00 0.00 H new ATOM 494 N LYS A 33 -10.482 0.965 -2.324 1.00 0.00 N ATOM 495 CA LYS A 33 -10.886 1.749 -1.171 1.00 0.00 C ATOM 496 C LYS A 33 -12.147 1.189 -0.537 1.00 0.00 C ATOM 497 O LYS A 33 -12.985 0.586 -1.212 1.00 0.00 O ATOM 498 CB LYS A 33 -11.145 3.197 -1.587 1.00 0.00 C ATOM 499 CG LYS A 33 -10.010 3.826 -2.375 1.00 0.00 C ATOM 500 CD LYS A 33 -10.175 5.332 -2.476 1.00 0.00 C ATOM 501 CE LYS A 33 -9.940 5.997 -1.129 1.00 0.00 C ATOM 502 NZ LYS A 33 -10.033 7.481 -1.210 1.00 0.00 N ATOM 0 H LYS A 33 -10.446 1.496 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.076 1.706 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.054 3.235 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.327 3.794 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.059 3.594 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.976 3.394 -3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.474 5.730 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.178 5.569 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.672 5.628 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.956 5.716 -0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.767 7.896 -0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.389 7.829 -1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.009 7.755 -1.444 1.00 0.00 H new ATOM 516 N ALA A 34 -12.287 1.428 0.762 1.00 0.00 N ATOM 517 CA ALA A 34 -13.480 1.024 1.491 1.00 0.00 C ATOM 518 C ALA A 34 -14.638 1.920 1.090 1.00 0.00 C ATOM 519 O ALA A 34 -15.800 1.624 1.356 1.00 0.00 O ATOM 520 CB ALA A 34 -13.243 1.094 2.992 1.00 0.00 C ATOM 0 H ALA A 34 -11.586 1.901 1.332 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.721 -0.009 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.147 0.788 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.423 0.428 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.988 2.116 3.273 1.00 0.00 H new ATOM 526 N ASN A 35 -14.288 3.030 0.451 1.00 0.00 N ATOM 527 CA ASN A 35 -15.262 3.947 -0.117 1.00 0.00 C ATOM 528 C ASN A 35 -15.871 3.357 -1.397 1.00 0.00 C ATOM 529 O ASN A 35 -16.882 3.845 -1.902 1.00 0.00 O ATOM 530 CB ASN A 35 -14.593 5.294 -0.416 1.00 0.00 C ATOM 531 CG ASN A 35 -15.588 6.370 -0.795 1.00 0.00 C ATOM 532 OD1 ASN A 35 -16.727 6.373 -0.329 1.00 0.00 O ATOM 533 ND2 ASN A 35 -15.164 7.295 -1.640 1.00 0.00 N ATOM 0 H ASN A 35 -13.319 3.318 0.313 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.065 4.102 0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.030 5.618 0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.876 5.167 -1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.789 8.047 -1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.212 7.256 -2.003 1.00 0.00 H new ATOM 540 N GLY A 36 -15.247 2.300 -1.913 1.00 0.00 N ATOM 541 CA GLY A 36 -15.759 1.634 -3.100 1.00 0.00 C ATOM 542 C GLY A 36 -15.043 2.048 -4.372 1.00 0.00 C ATOM 543 O GLY A 36 -15.470 1.693 -5.473 1.00 0.00 O ATOM 0 H GLY A 36 -14.394 1.892 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.666 0.555 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.822 1.852 -3.201 1.00 0.00 H new ATOM 547 N VAL A 37 -13.950 2.785 -4.229 1.00 0.00 N ATOM 548 CA VAL A 37 -13.190 3.265 -5.379 1.00 0.00 C ATOM 549 C VAL A 37 -11.927 2.427 -5.571 1.00 0.00 C ATOM 550 O VAL A 37 -11.309 2.002 -4.603 1.00 0.00 O ATOM 551 CB VAL A 37 -12.800 4.751 -5.206 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.120 5.291 -6.457 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.022 5.587 -4.857 1.00 0.00 C ATOM 0 H VAL A 37 -13.567 3.065 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.825 3.170 -6.260 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.088 4.818 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.857 6.338 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.216 4.716 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.799 5.207 -7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.728 6.630 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.759 5.506 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.456 5.225 -3.925 1.00 0.00 H new ATOM 563 N LYS A 38 -11.557 2.172 -6.815 1.00 0.00 N ATOM 564 CA LYS A 38 -10.342 1.425 -7.109 1.00 0.00 C ATOM 565 C LYS A 38 -9.269 2.387 -7.612 1.00 0.00 C ATOM 566 O LYS A 38 -9.494 3.127 -8.570 1.00 0.00 O ATOM 567 CB LYS A 38 -10.638 0.337 -8.149 1.00 0.00 C ATOM 568 CG LYS A 38 -9.569 -0.746 -8.266 1.00 0.00 C ATOM 569 CD LYS A 38 -8.387 -0.302 -9.115 1.00 0.00 C ATOM 570 CE LYS A 38 -8.799 -0.009 -10.554 1.00 0.00 C ATOM 571 NZ LYS A 38 -9.356 -1.210 -11.236 1.00 0.00 N ATOM 0 H LYS A 38 -12.079 2.471 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.978 0.938 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.588 -0.136 -7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.764 0.810 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.217 -1.015 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.010 -1.643 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.940 0.590 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.622 -1.079 -9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.542 0.788 -10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.935 0.355 -11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.464 -1.014 -12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.710 -2.014 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.284 -1.442 -10.828 1.00 0.00 H new ATOM 585 N ILE A 39 -8.114 2.373 -6.964 1.00 0.00 N ATOM 586 CA ILE A 39 -7.044 3.320 -7.272 1.00 0.00 C ATOM 587 C ILE A 39 -5.727 2.594 -7.542 1.00 0.00 C ATOM 588 O ILE A 39 -5.627 1.376 -7.366 1.00 0.00 O ATOM 589 CB ILE A 39 -6.831 4.338 -6.123 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.332 3.630 -4.855 1.00 0.00 C ATOM 591 CG2 ILE A 39 -8.115 5.110 -5.842 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.207 4.540 -3.652 1.00 0.00 C ATOM 0 H ILE A 39 -7.890 1.715 -6.218 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.353 3.859 -8.168 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.068 5.051 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.015 2.816 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.361 3.180 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.943 5.819 -5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.419 5.650 -6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.903 4.414 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.849 3.966 -2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.501 5.340 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.181 4.970 -3.418 1.00 0.00 H new ATOM 604 N ALA A 40 -4.726 3.347 -7.984 1.00 0.00 N ATOM 605 CA ALA A 40 -3.394 2.807 -8.225 1.00 0.00 C ATOM 606 C ALA A 40 -2.345 3.673 -7.544 1.00 0.00 C ATOM 607 O ALA A 40 -2.101 4.809 -7.954 1.00 0.00 O ATOM 608 CB ALA A 40 -3.109 2.717 -9.718 1.00 0.00 C ATOM 0 H ALA A 40 -4.814 4.343 -8.184 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.352 1.802 -7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.109 2.311 -9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.843 2.064 -10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.170 3.711 -10.161 1.00 0.00 H new ATOM 614 N VAL A 41 -1.739 3.136 -6.502 1.00 0.00 N ATOM 615 CA VAL A 41 -0.734 3.864 -5.745 1.00 0.00 C ATOM 616 C VAL A 41 0.623 3.191 -5.905 1.00 0.00 C ATOM 617 O VAL A 41 0.752 1.987 -5.697 1.00 0.00 O ATOM 618 CB VAL A 41 -1.106 3.951 -4.246 1.00 0.00 C ATOM 619 CG1 VAL A 41 -0.026 4.674 -3.462 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.443 4.655 -4.060 1.00 0.00 C ATOM 0 H VAL A 41 -1.925 2.194 -6.158 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.687 4.880 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.191 2.933 -3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.310 4.723 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.916 4.135 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.093 5.685 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.684 4.704 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.382 5.665 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.222 4.100 -4.583 1.00 0.00 H new ATOM 630 N ALA A 42 1.625 3.962 -6.301 1.00 0.00 N ATOM 631 CA ALA A 42 2.960 3.426 -6.503 1.00 0.00 C ATOM 632 C ALA A 42 3.570 2.998 -5.173 1.00 0.00 C ATOM 633 O ALA A 42 3.608 3.777 -4.218 1.00 0.00 O ATOM 634 CB ALA A 42 3.840 4.449 -7.197 1.00 0.00 C ATOM 0 H ALA A 42 1.537 4.961 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 42 2.890 2.546 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.837 4.033 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.409 4.703 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.907 5.347 -6.583 1.00 0.00 H new ATOM 640 N ALA A 43 4.059 1.765 -5.126 1.00 0.00 N ATOM 641 CA ALA A 43 4.537 1.162 -3.880 1.00 0.00 C ATOM 642 C ALA A 43 5.841 1.782 -3.388 1.00 0.00 C ATOM 643 O ALA A 43 6.269 1.537 -2.264 1.00 0.00 O ATOM 644 CB ALA A 43 4.722 -0.336 -4.066 1.00 0.00 C ATOM 0 H ALA A 43 4.137 1.156 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 43 3.779 1.357 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.078 -0.777 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.770 -0.789 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.452 -0.517 -4.855 1.00 0.00 H new ATOM 650 N ASP A 44 6.456 2.596 -4.221 1.00 0.00 N ATOM 651 CA ASP A 44 7.791 3.111 -3.927 1.00 0.00 C ATOM 652 C ASP A 44 7.748 4.489 -3.289 1.00 0.00 C ATOM 653 O ASP A 44 8.718 4.919 -2.665 1.00 0.00 O ATOM 654 CB ASP A 44 8.650 3.165 -5.187 1.00 0.00 C ATOM 655 CG ASP A 44 8.130 4.144 -6.216 1.00 0.00 C ATOM 656 OD1 ASP A 44 6.983 3.979 -6.675 1.00 0.00 O ATOM 657 OD2 ASP A 44 8.871 5.083 -6.584 1.00 0.00 O ATOM 0 H ASP A 44 6.061 2.918 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 44 8.237 2.418 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.669 3.440 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.697 2.171 -5.631 1.00 0.00 H new ATOM 662 N LYS A 45 6.640 5.194 -3.446 1.00 0.00 N ATOM 663 CA LYS A 45 6.504 6.501 -2.827 1.00 0.00 C ATOM 664 C LYS A 45 5.583 6.410 -1.618 1.00 0.00 C ATOM 665 O LYS A 45 5.043 7.410 -1.146 1.00 0.00 O ATOM 666 CB LYS A 45 6.013 7.544 -3.850 1.00 0.00 C ATOM 667 CG LYS A 45 4.772 7.144 -4.642 1.00 0.00 C ATOM 668 CD LYS A 45 3.490 7.355 -3.849 1.00 0.00 C ATOM 669 CE LYS A 45 3.307 8.819 -3.468 1.00 0.00 C ATOM 670 NZ LYS A 45 3.023 9.682 -4.646 1.00 0.00 N ATOM 0 H LYS A 45 5.832 4.889 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 45 7.482 6.834 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.804 8.475 -3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.821 7.749 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.728 7.726 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.850 6.096 -4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.636 7.021 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.513 6.743 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.489 8.906 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.207 9.176 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.840 10.655 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.842 9.676 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.188 9.319 -5.149 1.00 0.00 H new ATOM 684 N LEU A 46 5.422 5.194 -1.122 1.00 0.00 N ATOM 685 CA LEU A 46 4.512 4.920 -0.024 1.00 0.00 C ATOM 686 C LEU A 46 5.272 4.777 1.299 1.00 0.00 C ATOM 687 O LEU A 46 6.503 4.843 1.330 1.00 0.00 O ATOM 688 CB LEU A 46 3.755 3.643 -0.359 1.00 0.00 C ATOM 689 CG LEU A 46 2.318 3.557 0.146 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.520 4.797 -0.249 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.684 2.311 -0.430 1.00 0.00 C ATOM 0 H LEU A 46 5.917 4.372 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 46 3.815 5.749 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.744 3.526 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.312 2.799 0.048 1.00 0.00 H new ATOM 0 HG LEU A 46 2.318 3.507 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.500 4.707 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.987 5.683 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.502 4.887 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.655 2.231 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.694 2.368 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.246 1.434 -0.107 1.00 0.00 H new ATOM 703 N SER A 47 4.531 4.597 2.388 1.00 0.00 N ATOM 704 CA SER A 47 5.120 4.479 3.716 1.00 0.00 C ATOM 705 C SER A 47 5.473 3.031 4.030 1.00 0.00 C ATOM 706 O SER A 47 4.814 2.085 3.588 1.00 0.00 O ATOM 707 CB SER A 47 4.157 5.045 4.759 1.00 0.00 C ATOM 708 OG SER A 47 4.761 5.116 6.041 1.00 0.00 O ATOM 0 H SER A 47 3.513 4.529 2.375 1.00 0.00 H new ATOM 0 HA SER A 47 6.045 5.055 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.832 6.039 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.266 4.420 4.810 1.00 0.00 H new ATOM 0 HG SER A 47 4.120 5.484 6.685 1.00 0.00 H new ATOM 714 N ASN A 48 6.547 2.892 4.807 1.00 0.00 N ATOM 715 CA ASN A 48 7.171 1.605 5.101 1.00 0.00 C ATOM 716 C ASN A 48 6.184 0.640 5.719 1.00 0.00 C ATOM 717 O ASN A 48 6.264 -0.565 5.500 1.00 0.00 O ATOM 718 CB ASN A 48 8.300 1.781 6.104 1.00 0.00 C ATOM 719 CG ASN A 48 9.058 3.082 5.949 1.00 0.00 C ATOM 720 OD1 ASN A 48 8.640 4.114 6.469 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.182 3.047 5.259 1.00 0.00 N ATOM 0 H ASN A 48 7.013 3.681 5.255 1.00 0.00 H new ATOM 0 HA ASN A 48 7.540 1.213 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.889 1.729 7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.998 0.950 6.001 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.736 3.896 5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.497 2.171 4.842 1.00 0.00 H new ATOM 728 N GLU A 49 5.285 1.179 6.529 1.00 0.00 N ATOM 729 CA GLU A 49 4.336 0.389 7.260 1.00 0.00 C ATOM 730 C GLU A 49 3.345 -0.248 6.307 1.00 0.00 C ATOM 731 O GLU A 49 3.043 -1.445 6.392 1.00 0.00 O ATOM 732 CB GLU A 49 3.630 1.304 8.243 1.00 0.00 C ATOM 733 CG GLU A 49 4.559 1.904 9.286 1.00 0.00 C ATOM 734 CD GLU A 49 5.261 0.849 10.116 1.00 0.00 C ATOM 735 OE1 GLU A 49 6.307 0.332 9.668 1.00 0.00 O ATOM 736 OE2 GLU A 49 4.781 0.542 11.227 1.00 0.00 O ATOM 0 H GLU A 49 5.202 2.183 6.691 1.00 0.00 H new ATOM 0 HA GLU A 49 4.838 -0.415 7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.145 2.110 7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.843 0.744 8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.304 2.525 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.987 2.558 9.944 1.00 0.00 H new ATOM 743 N ASP A 50 2.866 0.568 5.388 1.00 0.00 N ATOM 744 CA ASP A 50 1.987 0.151 4.347 1.00 0.00 C ATOM 745 C ASP A 50 2.652 -0.928 3.506 1.00 0.00 C ATOM 746 O ASP A 50 2.020 -1.928 3.148 1.00 0.00 O ATOM 747 CB ASP A 50 1.659 1.375 3.510 1.00 0.00 C ATOM 748 CG ASP A 50 1.163 2.532 4.355 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.964 3.095 5.135 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.023 2.876 4.259 1.00 0.00 O ATOM 0 H ASP A 50 3.092 1.562 5.356 1.00 0.00 H new ATOM 0 HA ASP A 50 1.070 -0.275 4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.547 1.685 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.900 1.115 2.772 1.00 0.00 H new ATOM 755 N LEU A 51 3.947 -0.755 3.227 1.00 0.00 N ATOM 756 CA LEU A 51 4.675 -1.744 2.455 1.00 0.00 C ATOM 757 C LEU A 51 4.822 -3.028 3.250 1.00 0.00 C ATOM 758 O LEU A 51 4.603 -4.103 2.719 1.00 0.00 O ATOM 759 CB LEU A 51 6.055 -1.226 2.027 1.00 0.00 C ATOM 760 CG LEU A 51 6.080 -0.274 0.821 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.693 -0.112 0.220 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.669 1.074 1.210 1.00 0.00 C ATOM 0 H LEU A 51 4.499 0.050 3.522 1.00 0.00 H new ATOM 0 HA LEU A 51 4.100 -1.945 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.507 -0.714 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.687 -2.084 1.799 1.00 0.00 H new ATOM 0 HG LEU A 51 6.721 -0.715 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.742 0.567 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.324 -1.083 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.016 0.296 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.677 1.732 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.064 1.522 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.689 0.935 1.569 1.00 0.00 H new ATOM 774 N ALA A 52 5.142 -2.907 4.533 1.00 0.00 N ATOM 775 CA ALA A 52 5.333 -4.075 5.387 1.00 0.00 C ATOM 776 C ALA A 52 4.068 -4.913 5.413 1.00 0.00 C ATOM 777 O ALA A 52 4.117 -6.142 5.453 1.00 0.00 O ATOM 778 CB ALA A 52 5.717 -3.645 6.795 1.00 0.00 C ATOM 0 H ALA A 52 5.275 -2.013 5.005 1.00 0.00 H new ATOM 0 HA ALA A 52 6.144 -4.679 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.856 -4.527 7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.645 -3.075 6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.925 -3.024 7.215 1.00 0.00 H new ATOM 784 N TYR A 53 2.940 -4.221 5.362 1.00 0.00 N ATOM 785 CA TYR A 53 1.632 -4.851 5.347 1.00 0.00 C ATOM 786 C TYR A 53 1.393 -5.597 4.031 1.00 0.00 C ATOM 787 O TYR A 53 1.061 -6.793 4.025 1.00 0.00 O ATOM 788 CB TYR A 53 0.593 -3.748 5.561 1.00 0.00 C ATOM 789 CG TYR A 53 -0.837 -4.115 5.238 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.595 -4.912 6.085 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.434 -3.619 4.091 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.914 -5.207 5.788 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.744 -3.913 3.783 1.00 0.00 C ATOM 794 CZ TYR A 53 -3.485 -4.704 4.635 1.00 0.00 C ATOM 795 OH TYR A 53 -4.805 -4.982 4.350 1.00 0.00 O ATOM 0 H TYR A 53 2.908 -3.202 5.330 1.00 0.00 H new ATOM 0 HA TYR A 53 1.558 -5.596 6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.639 -3.429 6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.873 -2.889 4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.150 -5.307 6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.862 -2.990 3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.494 -5.828 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.189 -3.526 2.878 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.913 -5.102 3.383 1.00 0.00 H new ATOM 805 N VAL A 54 1.627 -4.922 2.914 1.00 0.00 N ATOM 806 CA VAL A 54 1.405 -5.538 1.617 1.00 0.00 C ATOM 807 C VAL A 54 2.430 -6.645 1.364 1.00 0.00 C ATOM 808 O VAL A 54 2.126 -7.644 0.708 1.00 0.00 O ATOM 809 CB VAL A 54 1.395 -4.487 0.484 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.562 -3.552 0.595 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.354 -5.142 -0.888 1.00 0.00 C ATOM 0 H VAL A 54 1.966 -3.961 2.881 1.00 0.00 H new ATOM 0 HA VAL A 54 0.417 -5.998 1.624 1.00 0.00 H new ATOM 0 HB VAL A 54 0.483 -3.901 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.525 -2.826 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.520 -3.030 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.490 -4.120 0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.348 -4.372 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.232 -5.776 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.453 -5.749 -0.975 1.00 0.00 H new ATOM 821 N GLU A 55 3.634 -6.476 1.912 1.00 0.00 N ATOM 822 CA GLU A 55 4.614 -7.558 1.955 1.00 0.00 C ATOM 823 C GLU A 55 4.000 -8.812 2.554 1.00 0.00 C ATOM 824 O GLU A 55 4.235 -9.914 2.073 1.00 0.00 O ATOM 825 CB GLU A 55 5.824 -7.185 2.808 1.00 0.00 C ATOM 826 CG GLU A 55 6.619 -6.012 2.297 1.00 0.00 C ATOM 827 CD GLU A 55 7.894 -5.799 3.091 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.893 -6.497 2.822 1.00 0.00 O ATOM 829 OE2 GLU A 55 7.900 -4.944 3.992 1.00 0.00 O ATOM 0 H GLU A 55 3.952 -5.602 2.331 1.00 0.00 H new ATOM 0 HA GLU A 55 4.929 -7.736 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.483 -6.962 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.483 -8.050 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.868 -6.172 1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.007 -5.111 2.345 1.00 0.00 H new ATOM 836 N LYS A 56 3.204 -8.638 3.602 1.00 0.00 N ATOM 837 CA LYS A 56 2.651 -9.771 4.326 1.00 0.00 C ATOM 838 C LYS A 56 1.520 -10.406 3.539 1.00 0.00 C ATOM 839 O LYS A 56 1.331 -11.619 3.573 1.00 0.00 O ATOM 840 CB LYS A 56 2.172 -9.337 5.712 1.00 0.00 C ATOM 841 CG LYS A 56 3.279 -8.808 6.621 1.00 0.00 C ATOM 842 CD LYS A 56 4.387 -9.827 6.854 1.00 0.00 C ATOM 843 CE LYS A 56 5.436 -9.802 5.749 1.00 0.00 C ATOM 844 NZ LYS A 56 6.194 -8.520 5.727 1.00 0.00 N ATOM 0 H LYS A 56 2.929 -7.726 3.967 1.00 0.00 H new ATOM 0 HA LYS A 56 3.436 -10.517 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.413 -8.564 5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.691 -10.185 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.706 -7.908 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.849 -8.520 7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.867 -9.627 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.953 -10.825 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.130 -10.631 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.950 -9.952 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.837 -8.511 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.528 -7.724 5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.746 -8.428 6.603 1.00 0.00 H new ATOM 858 N ILE A 57 0.778 -9.578 2.821 1.00 0.00 N ATOM 859 CA ILE A 57 -0.279 -10.074 1.943 1.00 0.00 C ATOM 860 C ILE A 57 0.306 -10.884 0.786 1.00 0.00 C ATOM 861 O ILE A 57 -0.231 -11.923 0.401 1.00 0.00 O ATOM 862 CB ILE A 57 -1.109 -8.915 1.357 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.608 -8.009 2.477 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.279 -9.447 0.535 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.377 -6.806 1.981 1.00 0.00 C ATOM 0 H ILE A 57 0.884 -8.564 2.826 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.922 -10.710 2.550 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.469 -8.332 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.246 -8.588 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.756 -7.669 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.850 -8.611 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.900 -10.057 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.924 -10.054 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.702 -6.206 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.736 -6.205 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.249 -7.138 1.417 1.00 0.00 H new ATOM 877 N THR A 58 1.421 -10.414 0.253 1.00 0.00 N ATOM 878 CA THR A 58 1.974 -10.982 -0.973 1.00 0.00 C ATOM 879 C THR A 58 2.985 -12.090 -0.705 1.00 0.00 C ATOM 880 O THR A 58 2.938 -13.154 -1.325 1.00 0.00 O ATOM 881 CB THR A 58 2.645 -9.896 -1.832 1.00 0.00 C ATOM 882 OG1 THR A 58 3.558 -9.131 -1.034 1.00 0.00 O ATOM 883 CG2 THR A 58 1.608 -8.976 -2.448 1.00 0.00 C ATOM 0 H THR A 58 1.962 -9.644 0.645 1.00 0.00 H new ATOM 0 HA THR A 58 1.129 -11.413 -1.509 1.00 0.00 H new ATOM 0 HB THR A 58 3.193 -10.388 -2.636 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.057 -8.491 -0.486 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.107 -8.217 -3.050 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.936 -9.557 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.035 -8.492 -1.657 1.00 0.00 H new ATOM 891 N GLY A 59 3.892 -11.837 0.218 1.00 0.00 N ATOM 892 CA GLY A 59 4.987 -12.750 0.456 1.00 0.00 C ATOM 893 C GLY A 59 6.288 -12.180 -0.061 1.00 0.00 C ATOM 894 O GLY A 59 7.355 -12.753 0.145 1.00 0.00 O ATOM 0 H GLY A 59 3.891 -11.008 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.072 -12.951 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.784 -13.703 -0.032 1.00 0.00 H new ATOM 898 N PHE A 60 6.194 -11.033 -0.727 1.00 0.00 N ATOM 899 CA PHE A 60 7.364 -10.362 -1.270 1.00 0.00 C ATOM 900 C PHE A 60 7.937 -9.406 -0.240 1.00 0.00 C ATOM 901 O PHE A 60 7.433 -9.306 0.880 1.00 0.00 O ATOM 902 CB PHE A 60 7.001 -9.580 -2.536 1.00 0.00 C ATOM 903 CG PHE A 60 6.421 -10.422 -3.634 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.109 -11.518 -4.128 1.00 0.00 C ATOM 905 CD2 PHE A 60 5.187 -10.109 -4.181 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.577 -12.286 -5.143 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.650 -10.873 -5.196 1.00 0.00 C ATOM 908 CZ PHE A 60 5.345 -11.964 -5.678 1.00 0.00 C ATOM 0 H PHE A 60 5.313 -10.549 -0.903 1.00 0.00 H new ATOM 0 HA PHE A 60 8.106 -11.120 -1.522 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.286 -8.800 -2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.895 -9.081 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.073 -11.774 -3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.639 -9.256 -3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.123 -13.138 -5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.687 -10.618 -5.613 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.926 -12.565 -6.472 1.00 0.00 H new ATOM 918 N SER A 61 8.987 -8.707 -0.616 1.00 0.00 N ATOM 919 CA SER A 61 9.566 -7.712 0.250 1.00 0.00 C ATOM 920 C SER A 61 9.619 -6.366 -0.459 1.00 0.00 C ATOM 921 O SER A 61 10.168 -6.248 -1.557 1.00 0.00 O ATOM 922 CB SER A 61 10.963 -8.127 0.697 1.00 0.00 C ATOM 923 OG SER A 61 11.428 -7.273 1.726 1.00 0.00 O ATOM 0 H SER A 61 9.454 -8.812 -1.516 1.00 0.00 H new ATOM 0 HA SER A 61 8.937 -7.622 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.947 -9.158 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.648 -8.092 -0.150 1.00 0.00 H new ATOM 0 HG SER A 61 10.663 -6.906 2.217 1.00 0.00 H new ATOM 929 N LEU A 62 9.044 -5.355 0.173 1.00 0.00 N ATOM 930 CA LEU A 62 9.045 -4.013 -0.383 1.00 0.00 C ATOM 931 C LEU A 62 10.059 -3.153 0.352 1.00 0.00 C ATOM 932 O LEU A 62 9.948 -1.931 0.386 1.00 0.00 O ATOM 933 CB LEU A 62 7.646 -3.379 -0.326 1.00 0.00 C ATOM 934 CG LEU A 62 6.527 -4.221 -0.952 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.264 -3.398 -1.085 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.943 -4.768 -2.309 1.00 0.00 C ATOM 0 H LEU A 62 8.570 -5.439 1.072 1.00 0.00 H new ATOM 0 HA LEU A 62 9.328 -4.077 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.394 -3.184 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.680 -2.414 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 62 6.333 -5.067 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.478 -4.007 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.945 -3.059 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.458 -2.534 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.129 -5.360 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.172 -3.940 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.826 -5.396 -2.193 1.00 0.00 H new ATOM 948 N GLU A 63 11.048 -3.816 0.942 1.00 0.00 N ATOM 949 CA GLU A 63 12.155 -3.155 1.593 1.00 0.00 C ATOM 950 C GLU A 63 12.810 -2.174 0.632 1.00 0.00 C ATOM 951 O GLU A 63 13.065 -1.021 0.972 1.00 0.00 O ATOM 952 CB GLU A 63 13.164 -4.212 2.020 1.00 0.00 C ATOM 953 CG GLU A 63 13.637 -4.053 3.441 1.00 0.00 C ATOM 954 CD GLU A 63 12.625 -4.551 4.450 1.00 0.00 C ATOM 955 OE1 GLU A 63 12.612 -5.768 4.736 1.00 0.00 O ATOM 956 OE2 GLU A 63 11.840 -3.730 4.960 1.00 0.00 O ATOM 0 H GLU A 63 11.097 -4.834 0.978 1.00 0.00 H new ATOM 0 HA GLU A 63 11.800 -2.604 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.716 -5.199 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.025 -4.172 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.573 -4.597 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.850 -3.001 3.634 1.00 0.00 H new ATOM 963 N LYS A 64 13.045 -2.650 -0.585 1.00 0.00 N ATOM 964 CA LYS A 64 13.621 -1.833 -1.648 1.00 0.00 C ATOM 965 C LYS A 64 12.748 -0.616 -1.955 1.00 0.00 C ATOM 966 O LYS A 64 13.239 0.400 -2.446 1.00 0.00 O ATOM 967 CB LYS A 64 13.797 -2.670 -2.916 1.00 0.00 C ATOM 968 CG LYS A 64 12.525 -3.386 -3.349 1.00 0.00 C ATOM 969 CD LYS A 64 12.653 -3.998 -4.733 1.00 0.00 C ATOM 970 CE LYS A 64 13.775 -5.021 -4.806 1.00 0.00 C ATOM 971 NZ LYS A 64 13.857 -5.647 -6.150 1.00 0.00 N ATOM 0 H LYS A 64 12.843 -3.610 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 64 14.592 -1.478 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.134 -2.023 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.582 -3.408 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.287 -4.168 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.693 -2.682 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.711 -4.474 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.835 -3.209 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.724 -4.539 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.614 -5.793 -4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.633 -6.339 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.960 -6.128 -6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.035 -4.913 -6.865 1.00 0.00 H new ATOM 985 N PHE A 65 11.458 -0.718 -1.655 1.00 0.00 N ATOM 986 CA PHE A 65 10.521 0.361 -1.939 1.00 0.00 C ATOM 987 C PHE A 65 10.444 1.331 -0.767 1.00 0.00 C ATOM 988 O PHE A 65 9.935 2.443 -0.903 1.00 0.00 O ATOM 989 CB PHE A 65 9.131 -0.199 -2.256 1.00 0.00 C ATOM 990 CG PHE A 65 9.061 -0.947 -3.558 1.00 0.00 C ATOM 991 CD1 PHE A 65 8.914 -0.264 -4.754 1.00 0.00 C ATOM 992 CD2 PHE A 65 9.142 -2.328 -3.587 1.00 0.00 C ATOM 993 CE1 PHE A 65 8.846 -0.944 -5.954 1.00 0.00 C ATOM 994 CE2 PHE A 65 9.075 -3.016 -4.785 1.00 0.00 C ATOM 995 CZ PHE A 65 8.928 -2.323 -5.969 1.00 0.00 C ATOM 0 H PHE A 65 11.038 -1.537 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 65 10.884 0.902 -2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.825 -0.864 -1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.415 0.623 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.852 0.814 -4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.259 -2.875 -2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.729 -0.399 -6.879 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.138 -4.094 -4.794 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.877 -2.858 -6.906 1.00 0.00 H new ATOM 1005 N LYS A 66 10.970 0.917 0.378 1.00 0.00 N ATOM 1006 CA LYS A 66 10.978 1.767 1.556 1.00 0.00 C ATOM 1007 C LYS A 66 12.137 2.745 1.468 1.00 0.00 C ATOM 1008 O LYS A 66 13.276 2.357 1.207 1.00 0.00 O ATOM 1009 CB LYS A 66 11.079 0.930 2.829 1.00 0.00 C ATOM 1010 CG LYS A 66 9.942 -0.069 2.983 1.00 0.00 C ATOM 1011 CD LYS A 66 10.158 -1.009 4.158 1.00 0.00 C ATOM 1012 CE LYS A 66 9.063 -2.061 4.227 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.325 -3.082 5.276 1.00 0.00 N ATOM 0 H LYS A 66 11.395 -0.000 0.514 1.00 0.00 H new ATOM 0 HA LYS A 66 10.042 2.324 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.028 0.393 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.089 1.595 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.004 0.469 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.846 -0.652 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.129 -1.496 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.176 -0.438 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.108 -1.575 4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.974 -2.553 3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.996 -4.012 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.346 -3.125 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.817 -2.824 6.146 1.00 0.00 H new