USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 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 67 SER OG : rot 180:sc= -4.33! USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 HIS :FLIP no HD1:sc= -11! C(o=-21!,f=-21!) USER MOD Set 2.2: A 58 THR OG1 : rot 169:sc= -1.05 USER MOD Set 2.3: A 69 ASN : amide:sc= -8.58! C(o=-21!,f=-25!) USER MOD Set 3.1: A 36 SER OG : rot -160:sc= -1.43! USER MOD Set 3.2: A 57 SER OG : rot -125:sc= -0.898! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00766 K(o=-0.0077,f=-0.93) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.0312 (180deg=-0.212) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.54! C(o=-1.5!,f=-6.2!) USER MOD Single : A 48 THR OG1 : rot -47:sc= -0.567! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 58:sc= 0.224 USER MOD Single : A 52 THR OG1 : rot 140:sc= 0 USER MOD Single : A 55 SER OG : rot 58:sc= -4.4! USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.0577 (180deg=-0.313) USER MOD Single : A 68 THR OG1 : rot 59:sc= -4.9! USER MOD Single : A 70 ASN :FLIP amide:sc= -0.149 F(o=-0.75,f=-0.15) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -162:sc= -0.0894 (180deg=-0.438) USER MOD Single : A 88 LYS NZ :NH3+ -140:sc= -0.508 (180deg=-2.42!) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= -0.0197 (180deg=-0.208) USER MOD Single : A 92 GLN : amide:sc= -3.16 K(o=-3.2,f=-7.9!) USER MOD Single : A 100 TYR OH : rot -24:sc= -3.77! USER MOD Single : A 102 TYR OH : rot 101:sc= -4.89! USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.293 F(o=-1.3,f=-0.29) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N PRO A 29 -9.059 1.309 0.637 1.00 1.75 N ATOM 76 CA PRO A 29 -7.601 1.215 0.736 1.00 1.73 C ATOM 77 C PRO A 29 -6.907 1.115 -0.625 1.00 1.12 C ATOM 78 O PRO A 29 -7.545 0.850 -1.644 1.00 0.97 O ATOM 79 CB PRO A 29 -7.404 -0.042 1.573 1.00 2.28 C ATOM 80 CG PRO A 29 -8.588 -0.070 2.478 1.00 2.24 C ATOM 81 CD PRO A 29 -9.730 0.524 1.694 1.00 1.93 C ATOM 0 HA PRO A 29 -7.155 2.107 1.175 1.00 1.73 H new ATOM 0 HB2 PRO A 29 -7.360 -0.934 0.948 1.00 2.28 H new ATOM 0 HB3 PRO A 29 -6.472 -0.002 2.138 1.00 2.28 H new ATOM 0 HG2 PRO A 29 -8.817 -1.090 2.788 1.00 2.24 H new ATOM 0 HG3 PRO A 29 -8.398 0.504 3.385 1.00 2.24 H new ATOM 0 HD2 PRO A 29 -10.371 -0.250 1.272 1.00 1.93 H new ATOM 0 HD3 PRO A 29 -10.361 1.154 2.321 1.00 1.93 H new ATOM 89 N ARG A 30 -5.602 1.386 -0.632 1.00 1.14 N ATOM 90 CA ARG A 30 -4.808 1.389 -1.859 1.00 0.83 C ATOM 91 C ARG A 30 -3.310 1.486 -1.547 1.00 0.77 C ATOM 92 O ARG A 30 -2.908 1.691 -0.399 1.00 1.19 O ATOM 93 CB ARG A 30 -5.228 2.556 -2.758 1.00 1.44 C ATOM 94 CG ARG A 30 -4.951 3.923 -2.153 1.00 2.12 C ATOM 95 CD ARG A 30 -5.597 5.037 -2.963 1.00 2.57 C ATOM 96 NE ARG A 30 -5.151 5.038 -4.354 1.00 3.02 N ATOM 97 CZ ARG A 30 -5.272 6.085 -5.166 1.00 3.70 C ATOM 98 NH1 ARG A 30 -5.812 7.211 -4.721 1.00 4.01 N ATOM 99 NH2 ARG A 30 -4.854 6.006 -6.422 1.00 4.42 N ATOM 0 H ARG A 30 -5.068 1.608 0.208 1.00 1.14 H new ATOM 0 HA ARG A 30 -4.990 0.449 -2.380 1.00 0.83 H new ATOM 0 HB2 ARG A 30 -4.704 2.477 -3.710 1.00 1.44 H new ATOM 0 HB3 ARG A 30 -6.293 2.473 -2.973 1.00 1.44 H new ATOM 0 HG2 ARG A 30 -5.327 3.951 -1.130 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -3.875 4.087 -2.102 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -6.681 4.926 -2.931 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -5.362 5.999 -2.507 1.00 2.57 H new ATOM 0 HE ARG A 30 -4.723 4.189 -4.723 1.00 3.02 H new ATOM 0 HH11 ARG A 30 -6.135 7.275 -3.756 1.00 4.01 H new ATOM 0 HH12 ARG A 30 -5.904 8.013 -5.344 1.00 4.01 H new ATOM 0 HH21 ARG A 30 -4.439 5.141 -6.768 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -4.948 6.810 -7.042 1.00 4.42 H new ATOM 113 N LEU A 31 -2.473 1.315 -2.560 1.00 0.67 N ATOM 114 CA LEU A 31 -1.036 1.398 -2.347 1.00 0.66 C ATOM 115 C LEU A 31 -0.665 2.796 -1.883 1.00 0.79 C ATOM 116 O LEU A 31 -1.104 3.792 -2.460 1.00 1.21 O ATOM 117 CB LEU A 31 -0.269 1.061 -3.623 1.00 0.92 C ATOM 118 CG LEU A 31 1.206 1.486 -3.654 1.00 0.91 C ATOM 119 CD1 LEU A 31 1.935 1.011 -2.413 1.00 1.49 C ATOM 120 CD2 LEU A 31 1.882 0.952 -4.908 1.00 1.39 C ATOM 0 H LEU A 31 -2.757 1.121 -3.520 1.00 0.67 H new ATOM 0 HA LEU A 31 -0.764 0.671 -1.582 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -0.319 -0.017 -3.780 1.00 0.92 H new ATOM 0 HB3 LEU A 31 -0.779 1.530 -4.464 1.00 0.92 H new ATOM 0 HG LEU A 31 1.247 2.575 -3.671 1.00 0.91 H new ATOM 0 HD11 LEU A 31 2.978 1.325 -2.461 1.00 1.49 H new ATOM 0 HD12 LEU A 31 1.466 1.442 -1.528 1.00 1.49 H new ATOM 0 HD13 LEU A 31 1.886 -0.076 -2.356 1.00 1.49 H new ATOM 0 HD21 LEU A 31 2.927 1.261 -4.917 1.00 1.39 H new ATOM 0 HD22 LEU A 31 1.825 -0.136 -4.917 1.00 1.39 H new ATOM 0 HD23 LEU A 31 1.379 1.349 -5.790 1.00 1.39 H new ATOM 132 N SER A 32 0.143 2.863 -0.842 1.00 0.65 N ATOM 133 CA SER A 32 0.570 4.137 -0.304 1.00 0.88 C ATOM 134 C SER A 32 2.088 4.211 -0.219 1.00 0.67 C ATOM 135 O SER A 32 2.724 3.394 0.448 1.00 1.05 O ATOM 136 CB SER A 32 -0.044 4.368 1.074 1.00 1.42 C ATOM 137 OG SER A 32 -1.437 4.106 1.063 1.00 1.57 O ATOM 0 H SER A 32 0.516 2.049 -0.353 1.00 0.65 H new ATOM 0 HA SER A 32 0.225 4.920 -0.979 1.00 0.88 H new ATOM 0 HB2 SER A 32 0.444 3.724 1.806 1.00 1.42 H new ATOM 0 HB3 SER A 32 0.133 5.397 1.386 1.00 1.42 H new ATOM 0 HG SER A 32 -1.806 4.260 1.958 1.00 1.57 H new ATOM 143 N VAL A 33 2.660 5.209 -0.878 1.00 0.65 N ATOM 144 CA VAL A 33 4.097 5.405 -0.861 1.00 0.78 C ATOM 145 C VAL A 33 4.432 6.440 0.208 1.00 0.74 C ATOM 146 O VAL A 33 4.139 7.627 0.059 1.00 1.28 O ATOM 147 CB VAL A 33 4.617 5.859 -2.243 1.00 1.59 C ATOM 148 CG1 VAL A 33 4.169 7.277 -2.568 1.00 2.53 C ATOM 149 CG2 VAL A 33 6.129 5.736 -2.312 1.00 2.05 C ATOM 0 H VAL A 33 2.147 5.895 -1.431 1.00 0.65 H new ATOM 0 HA VAL A 33 4.588 4.460 -0.629 1.00 0.78 H new ATOM 0 HB VAL A 33 4.185 5.200 -2.996 1.00 1.59 H new ATOM 0 HG11 VAL A 33 4.552 7.564 -3.547 1.00 2.53 H new ATOM 0 HG12 VAL A 33 3.080 7.321 -2.577 1.00 2.53 H new ATOM 0 HG13 VAL A 33 4.553 7.962 -1.813 1.00 2.53 H new ATOM 0 HG21 VAL A 33 6.476 6.060 -3.293 1.00 2.05 H new ATOM 0 HG22 VAL A 33 6.580 6.362 -1.542 1.00 2.05 H new ATOM 0 HG23 VAL A 33 6.417 4.697 -2.150 1.00 2.05 H new ATOM 159 N PHE A 34 5.004 5.973 1.307 1.00 0.53 N ATOM 160 CA PHE A 34 5.331 6.847 2.421 1.00 0.78 C ATOM 161 C PHE A 34 6.812 6.796 2.769 1.00 0.52 C ATOM 162 O PHE A 34 7.528 5.880 2.363 1.00 0.90 O ATOM 163 CB PHE A 34 4.490 6.459 3.639 1.00 1.43 C ATOM 164 CG PHE A 34 3.125 7.088 3.653 1.00 1.74 C ATOM 165 CD1 PHE A 34 2.970 8.413 4.022 1.00 2.51 C ATOM 166 CD2 PHE A 34 1.998 6.357 3.298 1.00 1.73 C ATOM 167 CE1 PHE A 34 1.719 9.002 4.038 1.00 3.37 C ATOM 168 CE2 PHE A 34 0.745 6.942 3.313 1.00 2.58 C ATOM 169 CZ PHE A 34 0.606 8.266 3.683 1.00 3.43 C ATOM 0 H PHE A 34 5.251 4.994 1.451 1.00 0.53 H new ATOM 0 HA PHE A 34 5.103 7.871 2.124 1.00 0.78 H new ATOM 0 HB2 PHE A 34 4.381 5.375 3.665 1.00 1.43 H new ATOM 0 HB3 PHE A 34 5.023 6.747 4.545 1.00 1.43 H new ATOM 0 HD1 PHE A 34 3.837 8.994 4.301 1.00 2.51 H new ATOM 0 HD2 PHE A 34 2.102 5.322 3.008 1.00 1.73 H new ATOM 0 HE1 PHE A 34 1.613 10.037 4.328 1.00 3.37 H new ATOM 0 HE2 PHE A 34 -0.124 6.364 3.036 1.00 2.58 H new ATOM 0 HZ PHE A 34 -0.372 8.725 3.695 1.00 3.43 H new ATOM 179 N ARG A 35 7.260 7.793 3.524 1.00 0.77 N ATOM 180 CA ARG A 35 8.654 7.879 3.938 1.00 0.81 C ATOM 181 C ARG A 35 8.754 7.941 5.457 1.00 0.85 C ATOM 182 O ARG A 35 8.358 8.927 6.077 1.00 1.32 O ATOM 183 CB ARG A 35 9.312 9.114 3.320 1.00 1.41 C ATOM 184 CG ARG A 35 9.027 9.279 1.835 1.00 2.08 C ATOM 185 CD ARG A 35 9.463 10.647 1.337 1.00 2.72 C ATOM 186 NE ARG A 35 8.781 11.727 2.046 1.00 3.21 N ATOM 187 CZ ARG A 35 9.094 13.010 1.911 1.00 3.85 C ATOM 188 NH1 ARG A 35 10.072 13.375 1.094 1.00 4.13 N ATOM 189 NH2 ARG A 35 8.427 13.931 2.593 1.00 4.60 N ATOM 0 H ARG A 35 6.674 8.556 3.863 1.00 0.77 H new ATOM 0 HA ARG A 35 9.175 6.987 3.589 1.00 0.81 H new ATOM 0 HB2 ARG A 35 8.966 10.002 3.848 1.00 1.41 H new ATOM 0 HB3 ARG A 35 10.390 9.054 3.470 1.00 1.41 H new ATOM 0 HG2 ARG A 35 9.548 8.503 1.274 1.00 2.08 H new ATOM 0 HG3 ARG A 35 7.961 9.145 1.650 1.00 2.08 H new ATOM 0 HD2 ARG A 35 10.540 10.753 1.464 1.00 2.72 H new ATOM 0 HD3 ARG A 35 9.258 10.727 0.269 1.00 2.72 H new ATOM 0 HE ARG A 35 8.021 11.481 2.681 1.00 3.21 H new ATOM 0 HH11 ARG A 35 10.586 12.669 0.567 1.00 4.13 H new ATOM 0 HH12 ARG A 35 10.310 14.362 0.992 1.00 4.13 H new ATOM 0 HH21 ARG A 35 7.673 13.654 3.222 1.00 4.60 H new ATOM 0 HH22 ARG A 35 8.668 14.917 2.489 1.00 4.60 H new ATOM 203 N SER A 36 9.284 6.879 6.047 1.00 0.55 N ATOM 204 CA SER A 36 9.438 6.797 7.486 1.00 0.74 C ATOM 205 C SER A 36 10.584 7.682 7.972 1.00 0.79 C ATOM 206 O SER A 36 11.711 7.220 8.148 1.00 1.07 O ATOM 207 CB SER A 36 9.681 5.344 7.881 1.00 0.84 C ATOM 208 OG SER A 36 10.625 4.731 7.024 1.00 1.50 O ATOM 0 H SER A 36 9.616 6.057 5.543 1.00 0.55 H new ATOM 0 HA SER A 36 8.524 7.157 7.959 1.00 0.74 H new ATOM 0 HB2 SER A 36 10.037 5.299 8.910 1.00 0.84 H new ATOM 0 HB3 SER A 36 8.741 4.793 7.845 1.00 0.84 H new ATOM 0 HG SER A 36 10.534 3.757 7.080 1.00 1.50 H new ATOM 214 N ASN A 37 10.279 8.958 8.190 1.00 1.08 N ATOM 215 CA ASN A 37 11.267 9.924 8.659 1.00 1.18 C ATOM 216 C ASN A 37 12.456 10.023 7.703 1.00 1.17 C ATOM 217 O ASN A 37 12.463 10.854 6.794 1.00 1.97 O ATOM 218 CB ASN A 37 11.747 9.554 10.065 1.00 1.30 C ATOM 219 CG ASN A 37 10.662 9.718 11.110 1.00 1.89 C ATOM 220 OD1 ASN A 37 9.781 10.568 10.981 1.00 2.57 O ATOM 221 ND2 ASN A 37 10.723 8.903 12.157 1.00 2.42 N ATOM 0 H ASN A 37 9.348 9.349 8.048 1.00 1.08 H new ATOM 0 HA ASN A 37 10.785 10.901 8.692 1.00 1.18 H new ATOM 0 HB2 ASN A 37 12.095 8.521 10.066 1.00 1.30 H new ATOM 0 HB3 ASN A 37 12.600 10.179 10.330 1.00 1.30 H new ATOM 0 HD21 ASN A 37 10.022 8.967 12.895 1.00 2.42 H new ATOM 0 HD22 ASN A 37 11.471 8.213 12.223 1.00 2.42 H new ATOM 228 N LYS A 38 13.465 9.179 7.913 1.00 0.96 N ATOM 229 CA LYS A 38 14.656 9.186 7.068 1.00 0.85 C ATOM 230 C LYS A 38 14.692 7.986 6.122 1.00 0.75 C ATOM 231 O LYS A 38 15.609 7.860 5.311 1.00 1.11 O ATOM 232 CB LYS A 38 15.916 9.193 7.935 1.00 0.86 C ATOM 233 CG LYS A 38 16.178 10.524 8.619 1.00 1.05 C ATOM 234 CD LYS A 38 17.497 10.513 9.373 1.00 1.75 C ATOM 235 CE LYS A 38 17.491 9.482 10.490 1.00 2.20 C ATOM 236 NZ LYS A 38 16.448 9.776 11.510 1.00 2.60 N ATOM 0 H LYS A 38 13.481 8.484 8.659 1.00 0.96 H new ATOM 0 HA LYS A 38 14.619 10.091 6.461 1.00 0.85 H new ATOM 0 HB2 LYS A 38 15.829 8.415 8.694 1.00 0.86 H new ATOM 0 HB3 LYS A 38 16.775 8.938 7.314 1.00 0.86 H new ATOM 0 HG2 LYS A 38 16.190 11.320 7.875 1.00 1.05 H new ATOM 0 HG3 LYS A 38 15.365 10.745 9.310 1.00 1.05 H new ATOM 0 HD2 LYS A 38 18.311 10.297 8.681 1.00 1.75 H new ATOM 0 HD3 LYS A 38 17.687 11.502 9.790 1.00 1.75 H new ATOM 0 HE2 LYS A 38 17.318 8.492 10.069 1.00 2.20 H new ATOM 0 HE3 LYS A 38 18.470 9.459 10.968 1.00 2.20 H new ATOM 0 HZ1 LYS A 38 16.614 9.193 12.355 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 16.491 10.782 11.770 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 15.509 9.559 11.119 1.00 2.60 H new ATOM 250 N HIS A 39 13.703 7.104 6.228 1.00 0.56 N ATOM 251 CA HIS A 39 13.647 5.924 5.376 1.00 0.60 C ATOM 252 C HIS A 39 12.382 5.942 4.528 1.00 0.52 C ATOM 253 O HIS A 39 11.453 6.694 4.807 1.00 0.67 O ATOM 254 CB HIS A 39 13.696 4.644 6.221 1.00 0.80 C ATOM 255 CG HIS A 39 14.504 4.764 7.478 1.00 1.26 C ATOM 256 ND1 HIS A 39 14.501 5.704 8.458 1.00 1.26 N flip ATOM 257 CD2 HIS A 39 15.447 3.833 7.851 1.00 1.99 C flip ATOM 258 CE1 HIS A 39 15.435 5.323 9.389 1.00 1.96 C flip ATOM 259 NE2 HIS A 39 15.991 4.192 9.000 1.00 2.40 N flip ATOM 0 H HIS A 39 12.933 7.184 6.893 1.00 0.56 H new ATOM 0 HA HIS A 39 14.514 5.938 4.716 1.00 0.60 H new ATOM 0 HB2 HIS A 39 12.678 4.357 6.484 1.00 0.80 H new ATOM 0 HB3 HIS A 39 14.108 3.838 5.614 1.00 0.80 H new ATOM 0 HD2 HIS A 39 15.703 2.946 7.291 1.00 1.99 H new ATOM 0 HE1 HIS A 39 15.676 5.862 10.293 1.00 1.96 H new ATOM 0 HE2 HIS A 39 16.718 3.681 9.501 1.00 2.40 H new ATOM 268 N ILE A 40 12.349 5.111 3.493 1.00 0.50 N ATOM 269 CA ILE A 40 11.183 5.041 2.617 1.00 0.51 C ATOM 270 C ILE A 40 10.330 3.817 2.929 1.00 0.46 C ATOM 271 O ILE A 40 10.734 2.682 2.686 1.00 0.68 O ATOM 272 CB ILE A 40 11.571 5.039 1.121 1.00 0.60 C ATOM 273 CG1 ILE A 40 12.956 4.420 0.899 1.00 1.21 C ATOM 274 CG2 ILE A 40 11.531 6.457 0.578 1.00 1.29 C ATOM 275 CD1 ILE A 40 13.037 2.956 1.268 1.00 2.23 C ATOM 0 H ILE A 40 13.109 4.480 3.240 1.00 0.50 H new ATOM 0 HA ILE A 40 10.600 5.941 2.811 1.00 0.51 H new ATOM 0 HB ILE A 40 10.848 4.426 0.583 1.00 0.60 H new ATOM 0 HG12 ILE A 40 13.232 4.537 -0.149 1.00 1.21 H new ATOM 0 HG13 ILE A 40 13.689 4.974 1.485 1.00 1.21 H new ATOM 0 HG21 ILE A 40 11.805 6.451 -0.477 1.00 1.29 H new ATOM 0 HG22 ILE A 40 10.525 6.861 0.689 1.00 1.29 H new ATOM 0 HG23 ILE A 40 12.234 7.079 1.132 1.00 1.29 H new ATOM 0 HD11 ILE A 40 14.047 2.590 1.083 1.00 2.23 H new ATOM 0 HD12 ILE A 40 12.794 2.833 2.323 1.00 2.23 H new ATOM 0 HD13 ILE A 40 12.329 2.389 0.664 1.00 2.23 H new ATOM 287 N TYR A 41 9.151 4.065 3.494 1.00 0.36 N ATOM 288 CA TYR A 41 8.236 3.004 3.872 1.00 0.31 C ATOM 289 C TYR A 41 7.292 2.632 2.749 1.00 0.36 C ATOM 290 O TYR A 41 6.513 3.460 2.277 1.00 0.46 O ATOM 291 CB TYR A 41 7.411 3.452 5.073 1.00 0.31 C ATOM 292 CG TYR A 41 6.863 2.320 5.909 1.00 0.33 C ATOM 293 CD1 TYR A 41 6.251 1.204 5.333 1.00 0.30 C ATOM 294 CD2 TYR A 41 6.973 2.363 7.289 1.00 0.48 C ATOM 295 CE1 TYR A 41 5.771 0.178 6.117 1.00 0.38 C ATOM 296 CE2 TYR A 41 6.492 1.340 8.076 1.00 0.57 C ATOM 297 CZ TYR A 41 5.891 0.249 7.487 1.00 0.53 C ATOM 298 OH TYR A 41 5.412 -0.776 8.270 1.00 0.63 O ATOM 0 H TYR A 41 8.809 5.004 3.700 1.00 0.36 H new ATOM 0 HA TYR A 41 8.837 2.127 4.113 1.00 0.31 H new ATOM 0 HB2 TYR A 41 8.029 4.089 5.706 1.00 0.31 H new ATOM 0 HB3 TYR A 41 6.580 4.063 4.720 1.00 0.31 H new ATOM 0 HD1 TYR A 41 6.153 1.145 4.259 1.00 0.30 H new ATOM 0 HD2 TYR A 41 7.445 3.215 7.757 1.00 0.48 H new ATOM 0 HE1 TYR A 41 5.302 -0.680 5.658 1.00 0.38 H new ATOM 0 HE2 TYR A 41 6.586 1.393 9.151 1.00 0.57 H new ATOM 0 HH TYR A 41 5.576 -0.571 9.214 1.00 0.63 H new ATOM 308 N ALA A 42 7.316 1.365 2.372 1.00 0.47 N ATOM 309 CA ALA A 42 6.406 0.874 1.362 1.00 0.60 C ATOM 310 C ALA A 42 5.172 0.331 2.072 1.00 0.48 C ATOM 311 O ALA A 42 5.291 -0.476 2.993 1.00 0.57 O ATOM 312 CB ALA A 42 7.064 -0.201 0.509 1.00 0.92 C ATOM 0 H ALA A 42 7.953 0.664 2.750 1.00 0.47 H new ATOM 0 HA ALA A 42 6.124 1.682 0.687 1.00 0.60 H new ATOM 0 HB1 ALA A 42 6.357 -0.553 -0.242 1.00 0.92 H new ATOM 0 HB2 ALA A 42 7.943 0.214 0.015 1.00 0.92 H new ATOM 0 HB3 ALA A 42 7.364 -1.035 1.143 1.00 0.92 H new ATOM 318 N GLN A 43 3.997 0.803 1.674 1.00 0.45 N ATOM 319 CA GLN A 43 2.753 0.381 2.309 1.00 0.39 C ATOM 320 C GLN A 43 1.676 0.117 1.260 1.00 0.40 C ATOM 321 O GLN A 43 0.981 1.035 0.840 1.00 0.51 O ATOM 322 CB GLN A 43 2.296 1.467 3.276 1.00 0.39 C ATOM 323 CG GLN A 43 0.950 1.192 3.929 1.00 0.99 C ATOM 324 CD GLN A 43 1.022 0.097 4.974 1.00 1.33 C ATOM 325 OE1 GLN A 43 0.839 -1.079 4.668 1.00 2.05 O ATOM 326 NE2 GLN A 43 1.293 0.480 6.216 1.00 1.85 N ATOM 0 H GLN A 43 3.879 1.476 0.917 1.00 0.45 H new ATOM 0 HA GLN A 43 2.924 -0.547 2.855 1.00 0.39 H new ATOM 0 HB2 GLN A 43 3.049 1.584 4.056 1.00 0.39 H new ATOM 0 HB3 GLN A 43 2.241 2.415 2.741 1.00 0.39 H new ATOM 0 HG2 GLN A 43 0.581 2.107 4.392 1.00 0.99 H new ATOM 0 HG3 GLN A 43 0.229 0.910 3.162 1.00 0.99 H new ATOM 0 HE21 GLN A 43 1.438 1.468 6.425 1.00 1.85 H new ATOM 0 HE22 GLN A 43 1.356 -0.214 6.961 1.00 1.85 H new ATOM 335 N ILE A 44 1.545 -1.139 0.832 1.00 0.43 N ATOM 336 CA ILE A 44 0.551 -1.490 -0.181 1.00 0.45 C ATOM 337 C ILE A 44 -0.661 -2.172 0.429 1.00 0.48 C ATOM 338 O ILE A 44 -0.600 -3.348 0.803 1.00 0.60 O ATOM 339 CB ILE A 44 1.131 -2.426 -1.272 1.00 0.49 C ATOM 340 CG1 ILE A 44 2.512 -1.949 -1.728 1.00 0.65 C ATOM 341 CG2 ILE A 44 0.179 -2.535 -2.469 1.00 0.51 C ATOM 342 CD1 ILE A 44 3.461 -3.078 -2.061 1.00 0.86 C ATOM 0 H ILE A 44 2.108 -1.921 1.166 1.00 0.43 H new ATOM 0 HA ILE A 44 0.253 -0.545 -0.635 1.00 0.45 H new ATOM 0 HB ILE A 44 1.240 -3.417 -0.832 1.00 0.49 H new ATOM 0 HG12 ILE A 44 2.396 -1.312 -2.605 1.00 0.65 H new ATOM 0 HG13 ILE A 44 2.953 -1.334 -0.943 1.00 0.65 H new ATOM 0 HG21 ILE A 44 0.611 -3.198 -3.219 1.00 0.51 H new ATOM 0 HG22 ILE A 44 -0.778 -2.938 -2.137 1.00 0.51 H new ATOM 0 HG23 ILE A 44 0.026 -1.547 -2.903 1.00 0.51 H new ATOM 0 HD11 ILE A 44 4.420 -2.666 -2.377 1.00 0.86 H new ATOM 0 HD12 ILE A 44 3.607 -3.703 -1.180 1.00 0.86 H new ATOM 0 HD13 ILE A 44 3.042 -3.680 -2.867 1.00 0.86 H new ATOM 354 N ILE A 45 -1.779 -1.452 0.494 1.00 0.52 N ATOM 355 CA ILE A 45 -2.998 -2.041 1.016 1.00 0.56 C ATOM 356 C ILE A 45 -3.965 -2.245 -0.142 1.00 0.54 C ATOM 357 O ILE A 45 -4.024 -1.421 -1.058 1.00 0.63 O ATOM 358 CB ILE A 45 -3.632 -1.186 2.124 1.00 0.69 C ATOM 359 CG1 ILE A 45 -4.978 -1.770 2.559 1.00 0.76 C ATOM 360 CG2 ILE A 45 -3.791 0.239 1.648 1.00 0.82 C ATOM 361 CD1 ILE A 45 -4.872 -3.128 3.211 1.00 1.19 C ATOM 0 H ILE A 45 -1.861 -0.480 0.197 1.00 0.52 H new ATOM 0 HA ILE A 45 -2.758 -2.999 1.478 1.00 0.56 H new ATOM 0 HB ILE A 45 -2.972 -1.192 2.991 1.00 0.69 H new ATOM 0 HG12 ILE A 45 -5.455 -1.080 3.255 1.00 0.76 H new ATOM 0 HG13 ILE A 45 -5.629 -1.845 1.688 1.00 0.76 H new ATOM 0 HG21 ILE A 45 -4.241 0.839 2.439 1.00 0.82 H new ATOM 0 HG22 ILE A 45 -2.814 0.649 1.393 1.00 0.82 H new ATOM 0 HG23 ILE A 45 -4.433 0.259 0.768 1.00 0.82 H new ATOM 0 HD11 ILE A 45 -5.866 -3.476 3.491 1.00 1.19 H new ATOM 0 HD12 ILE A 45 -4.425 -3.834 2.511 1.00 1.19 H new ATOM 0 HD13 ILE A 45 -4.248 -3.056 4.102 1.00 1.19 H new ATOM 373 N ASP A 46 -4.684 -3.361 -0.122 1.00 0.53 N ATOM 374 CA ASP A 46 -5.594 -3.703 -1.214 1.00 0.59 C ATOM 375 C ASP A 46 -6.460 -2.520 -1.628 1.00 0.59 C ATOM 376 O ASP A 46 -6.526 -1.512 -0.932 1.00 0.62 O ATOM 377 CB ASP A 46 -6.494 -4.862 -0.800 1.00 0.68 C ATOM 378 CG ASP A 46 -7.120 -4.653 0.564 1.00 0.66 C ATOM 379 OD1 ASP A 46 -8.142 -3.938 0.645 1.00 0.74 O ATOM 380 OD2 ASP A 46 -6.590 -5.202 1.552 1.00 0.89 O ATOM 0 H ASP A 46 -4.656 -4.044 0.635 1.00 0.53 H new ATOM 0 HA ASP A 46 -4.980 -3.989 -2.068 1.00 0.59 H new ATOM 0 HB2 ASP A 46 -7.282 -4.989 -1.542 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -5.913 -5.784 -0.792 1.00 0.68 H new ATOM 385 N ASP A 47 -7.102 -2.642 -2.790 1.00 0.86 N ATOM 386 CA ASP A 47 -7.943 -1.570 -3.313 1.00 0.96 C ATOM 387 C ASP A 47 -9.132 -2.117 -4.099 1.00 1.01 C ATOM 388 O ASP A 47 -10.277 -2.015 -3.661 1.00 0.96 O ATOM 389 CB ASP A 47 -7.118 -0.644 -4.207 1.00 1.17 C ATOM 390 CG ASP A 47 -7.935 0.507 -4.758 1.00 1.66 C ATOM 391 OD1 ASP A 47 -8.151 1.490 -4.018 1.00 2.45 O ATOM 392 OD2 ASP A 47 -8.361 0.426 -5.929 1.00 1.96 O ATOM 0 H ASP A 47 -7.055 -3.470 -3.384 1.00 0.86 H new ATOM 0 HA ASP A 47 -8.330 -1.010 -2.461 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -6.277 -0.249 -3.638 1.00 1.17 H new ATOM 0 HB3 ASP A 47 -6.701 -1.219 -5.034 1.00 1.17 H new ATOM 397 N THR A 48 -8.856 -2.679 -5.274 1.00 1.33 N ATOM 398 CA THR A 48 -9.910 -3.217 -6.128 1.00 1.52 C ATOM 399 C THR A 48 -10.090 -4.723 -5.941 1.00 1.57 C ATOM 400 O THR A 48 -11.200 -5.189 -5.680 1.00 1.64 O ATOM 401 CB THR A 48 -9.610 -2.909 -7.596 1.00 1.97 C ATOM 402 OG1 THR A 48 -8.454 -3.603 -8.029 1.00 2.28 O ATOM 403 CG2 THR A 48 -9.387 -1.436 -7.865 1.00 2.12 C ATOM 0 H THR A 48 -7.914 -2.773 -5.655 1.00 1.33 H new ATOM 0 HA THR A 48 -10.842 -2.733 -5.835 1.00 1.52 H new ATOM 0 HB THR A 48 -10.494 -3.233 -8.145 1.00 1.97 H new ATOM 0 HG1 THR A 48 -7.740 -3.494 -7.367 1.00 2.28 H new ATOM 0 HG21 THR A 48 -9.179 -1.287 -8.925 1.00 2.12 H new ATOM 0 HG22 THR A 48 -10.280 -0.876 -7.588 1.00 2.12 H new ATOM 0 HG23 THR A 48 -8.541 -1.083 -7.276 1.00 2.12 H new ATOM 411 N LYS A 49 -9.009 -5.486 -6.091 1.00 1.64 N ATOM 412 CA LYS A 49 -9.090 -6.938 -5.950 1.00 1.82 C ATOM 413 C LYS A 49 -8.240 -7.457 -4.793 1.00 2.06 C ATOM 414 O LYS A 49 -7.323 -8.255 -4.986 1.00 2.71 O ATOM 415 CB LYS A 49 -8.685 -7.625 -7.255 1.00 2.07 C ATOM 416 CG LYS A 49 -9.720 -7.474 -8.359 1.00 2.73 C ATOM 417 CD LYS A 49 -10.069 -8.814 -8.988 1.00 3.33 C ATOM 418 CE LYS A 49 -10.726 -9.745 -7.981 1.00 3.64 C ATOM 419 NZ LYS A 49 -11.159 -11.025 -8.609 1.00 4.26 N ATOM 0 H LYS A 49 -8.078 -5.129 -6.307 1.00 1.64 H new ATOM 0 HA LYS A 49 -10.128 -7.180 -5.723 1.00 1.82 H new ATOM 0 HB2 LYS A 49 -7.736 -7.211 -7.596 1.00 2.07 H new ATOM 0 HB3 LYS A 49 -8.520 -8.685 -7.064 1.00 2.07 H new ATOM 0 HG2 LYS A 49 -10.622 -7.017 -7.952 1.00 2.73 H new ATOM 0 HG3 LYS A 49 -9.339 -6.800 -9.126 1.00 2.73 H new ATOM 0 HD2 LYS A 49 -10.740 -8.657 -9.833 1.00 3.33 H new ATOM 0 HD3 LYS A 49 -9.165 -9.280 -9.381 1.00 3.33 H new ATOM 0 HE2 LYS A 49 -10.027 -9.956 -7.172 1.00 3.64 H new ATOM 0 HE3 LYS A 49 -11.589 -9.249 -7.536 1.00 3.64 H new ATOM 0 HZ1 LYS A 49 -11.602 -11.632 -7.890 1.00 4.26 H new ATOM 0 HZ2 LYS A 49 -11.845 -10.826 -9.365 1.00 4.26 H new ATOM 0 HZ3 LYS A 49 -10.332 -11.511 -9.011 1.00 4.26 H new ATOM 433 N SER A 50 -8.581 -7.016 -3.589 1.00 1.82 N ATOM 434 CA SER A 50 -7.893 -7.442 -2.371 1.00 2.14 C ATOM 435 C SER A 50 -6.383 -7.613 -2.555 1.00 1.89 C ATOM 436 O SER A 50 -5.855 -8.704 -2.338 1.00 2.60 O ATOM 437 CB SER A 50 -8.493 -8.758 -1.871 1.00 2.65 C ATOM 438 OG SER A 50 -8.355 -9.782 -2.842 1.00 3.31 O ATOM 0 H SER A 50 -9.340 -6.354 -3.426 1.00 1.82 H new ATOM 0 HA SER A 50 -8.038 -6.647 -1.639 1.00 2.14 H new ATOM 0 HB2 SER A 50 -7.999 -9.059 -0.947 1.00 2.65 H new ATOM 0 HB3 SER A 50 -9.548 -8.615 -1.636 1.00 2.65 H new ATOM 0 HG SER A 50 -7.406 -9.905 -3.055 1.00 3.31 H new ATOM 444 N ALA A 51 -5.680 -6.541 -2.916 1.00 1.33 N ATOM 445 CA ALA A 51 -4.232 -6.623 -3.068 1.00 1.15 C ATOM 446 C ALA A 51 -3.608 -6.992 -1.732 1.00 1.13 C ATOM 447 O ALA A 51 -4.292 -7.519 -0.855 1.00 1.56 O ATOM 448 CB ALA A 51 -3.664 -5.312 -3.594 1.00 1.20 C ATOM 0 H ALA A 51 -6.082 -5.623 -3.105 1.00 1.33 H new ATOM 0 HA ALA A 51 -3.992 -7.396 -3.798 1.00 1.15 H new ATOM 0 HB1 ALA A 51 -2.583 -5.400 -3.698 1.00 1.20 H new ATOM 0 HB2 ALA A 51 -4.105 -5.088 -4.565 1.00 1.20 H new ATOM 0 HB3 ALA A 51 -3.897 -4.508 -2.896 1.00 1.20 H new ATOM 454 N THR A 52 -2.326 -6.705 -1.551 1.00 1.05 N ATOM 455 CA THR A 52 -1.685 -7.016 -0.284 1.00 1.07 C ATOM 456 C THR A 52 -2.181 -6.039 0.763 1.00 0.91 C ATOM 457 O THR A 52 -2.602 -4.933 0.434 1.00 1.28 O ATOM 458 CB THR A 52 -0.157 -6.987 -0.386 1.00 1.64 C ATOM 459 OG1 THR A 52 0.427 -7.652 0.721 1.00 2.30 O ATOM 460 CG2 THR A 52 0.422 -5.595 -0.426 1.00 2.34 C ATOM 0 H THR A 52 -1.723 -6.268 -2.248 1.00 1.05 H new ATOM 0 HA THR A 52 -1.951 -8.033 0.003 1.00 1.07 H new ATOM 0 HB THR A 52 0.074 -7.486 -1.327 1.00 1.64 H new ATOM 0 HG1 THR A 52 1.195 -8.180 0.418 1.00 2.30 H new ATOM 0 HG21 THR A 52 1.508 -5.655 -0.498 1.00 2.34 H new ATOM 0 HG22 THR A 52 0.029 -5.062 -1.292 1.00 2.34 H new ATOM 0 HG23 THR A 52 0.148 -5.061 0.484 1.00 2.34 H new ATOM 468 N ILE A 53 -2.180 -6.461 2.012 1.00 1.13 N ATOM 469 CA ILE A 53 -2.691 -5.617 3.078 1.00 1.60 C ATOM 470 C ILE A 53 -1.586 -4.896 3.842 1.00 1.49 C ATOM 471 O ILE A 53 -1.826 -4.394 4.940 1.00 2.03 O ATOM 472 CB ILE A 53 -3.543 -6.435 4.069 1.00 2.38 C ATOM 473 CG1 ILE A 53 -4.322 -7.525 3.328 1.00 2.64 C ATOM 474 CG2 ILE A 53 -4.495 -5.525 4.833 1.00 3.14 C ATOM 475 CD1 ILE A 53 -5.291 -8.286 4.208 1.00 2.95 C ATOM 0 H ILE A 53 -1.836 -7.373 2.313 1.00 1.13 H new ATOM 0 HA ILE A 53 -3.310 -4.862 2.593 1.00 1.60 H new ATOM 0 HB ILE A 53 -2.876 -6.913 4.786 1.00 2.38 H new ATOM 0 HG12 ILE A 53 -4.873 -7.070 2.505 1.00 2.64 H new ATOM 0 HG13 ILE A 53 -3.615 -8.229 2.888 1.00 2.64 H new ATOM 0 HG21 ILE A 53 -5.088 -6.120 5.528 1.00 3.14 H new ATOM 0 HG22 ILE A 53 -3.922 -4.783 5.389 1.00 3.14 H new ATOM 0 HG23 ILE A 53 -5.158 -5.020 4.130 1.00 3.14 H new ATOM 0 HD11 ILE A 53 -5.806 -9.041 3.614 1.00 2.95 H new ATOM 0 HD12 ILE A 53 -4.744 -8.771 5.017 1.00 2.95 H new ATOM 0 HD13 ILE A 53 -6.021 -7.594 4.628 1.00 2.95 H new ATOM 487 N VAL A 54 -0.383 -4.826 3.270 1.00 0.90 N ATOM 488 CA VAL A 54 0.715 -4.142 3.947 1.00 0.93 C ATOM 489 C VAL A 54 1.997 -4.122 3.098 1.00 0.65 C ATOM 490 O VAL A 54 1.939 -4.146 1.869 1.00 0.59 O ATOM 491 CB VAL A 54 0.968 -4.778 5.344 1.00 1.31 C ATOM 492 CG1 VAL A 54 1.885 -5.997 5.275 1.00 1.86 C ATOM 493 CG2 VAL A 54 1.477 -3.743 6.343 1.00 2.03 C ATOM 0 H VAL A 54 -0.149 -5.225 2.361 1.00 0.90 H new ATOM 0 HA VAL A 54 0.421 -3.102 4.089 1.00 0.93 H new ATOM 0 HB VAL A 54 0.005 -5.139 5.704 1.00 1.31 H new ATOM 0 HG11 VAL A 54 2.028 -6.402 6.277 1.00 1.86 H new ATOM 0 HG12 VAL A 54 1.433 -6.757 4.638 1.00 1.86 H new ATOM 0 HG13 VAL A 54 2.850 -5.704 4.861 1.00 1.86 H new ATOM 0 HG21 VAL A 54 1.643 -4.220 7.309 1.00 2.03 H new ATOM 0 HG22 VAL A 54 2.414 -3.319 5.982 1.00 2.03 H new ATOM 0 HG23 VAL A 54 0.738 -2.950 6.453 1.00 2.03 H new ATOM 503 N SER A 55 3.142 -4.052 3.774 1.00 0.71 N ATOM 504 CA SER A 55 4.450 -4.000 3.139 1.00 0.61 C ATOM 505 C SER A 55 5.506 -3.883 4.248 1.00 0.71 C ATOM 506 O SER A 55 5.381 -4.562 5.267 1.00 0.96 O ATOM 507 CB SER A 55 4.476 -2.838 2.136 1.00 0.64 C ATOM 508 OG SER A 55 3.950 -3.234 0.883 1.00 1.38 O ATOM 0 H SER A 55 3.184 -4.030 4.793 1.00 0.71 H new ATOM 0 HA SER A 55 4.670 -4.902 2.568 1.00 0.61 H new ATOM 0 HB2 SER A 55 3.898 -2.002 2.529 1.00 0.64 H new ATOM 0 HB3 SER A 55 5.500 -2.486 2.009 1.00 0.64 H new ATOM 0 HG SER A 55 3.033 -3.560 1.001 1.00 1.38 H new ATOM 514 N ALA A 56 6.528 -3.052 4.096 1.00 0.63 N ATOM 515 CA ALA A 56 7.527 -2.937 5.156 1.00 0.77 C ATOM 516 C ALA A 56 8.529 -1.815 4.926 1.00 0.58 C ATOM 517 O ALA A 56 8.632 -1.252 3.833 1.00 0.59 O ATOM 518 CB ALA A 56 8.260 -4.254 5.335 1.00 1.17 C ATOM 0 H ALA A 56 6.688 -2.464 3.278 1.00 0.63 H new ATOM 0 HA ALA A 56 6.979 -2.687 6.064 1.00 0.77 H new ATOM 0 HB1 ALA A 56 9.001 -4.153 6.128 1.00 1.17 H new ATOM 0 HB2 ALA A 56 7.547 -5.034 5.602 1.00 1.17 H new ATOM 0 HB3 ALA A 56 8.759 -4.522 4.404 1.00 1.17 H new ATOM 524 N SER A 57 9.267 -1.506 5.990 1.00 0.52 N ATOM 525 CA SER A 57 10.283 -0.467 5.965 1.00 0.47 C ATOM 526 C SER A 57 11.269 -0.689 7.103 1.00 0.59 C ATOM 527 O SER A 57 11.276 -1.751 7.723 1.00 0.87 O ATOM 528 CB SER A 57 9.643 0.910 6.065 1.00 0.51 C ATOM 529 OG SER A 57 9.431 1.281 7.415 1.00 1.46 O ATOM 0 H SER A 57 9.174 -1.972 6.893 1.00 0.52 H new ATOM 0 HA SER A 57 10.821 -0.517 5.018 1.00 0.47 H new ATOM 0 HB2 SER A 57 10.282 1.647 5.579 1.00 0.51 H new ATOM 0 HB3 SER A 57 8.693 0.911 5.531 1.00 0.51 H new ATOM 0 HG SER A 57 8.486 1.503 7.549 1.00 1.46 H new ATOM 535 N THR A 58 12.101 0.307 7.374 1.00 0.75 N ATOM 536 CA THR A 58 13.102 0.209 8.435 1.00 0.94 C ATOM 537 C THR A 58 12.545 -0.419 9.712 1.00 1.00 C ATOM 538 O THR A 58 13.315 -0.942 10.517 1.00 1.41 O ATOM 539 CB THR A 58 13.676 1.587 8.751 1.00 1.24 C ATOM 540 OG1 THR A 58 14.680 1.497 9.745 1.00 1.39 O ATOM 541 CG2 THR A 58 12.635 2.572 9.240 1.00 1.99 C ATOM 0 H THR A 58 12.105 1.196 6.874 1.00 0.75 H new ATOM 0 HA THR A 58 13.890 -0.446 8.064 1.00 0.94 H new ATOM 0 HB THR A 58 14.084 1.951 7.808 1.00 1.24 H new ATOM 0 HG1 THR A 58 15.155 2.352 9.809 1.00 1.39 H new ATOM 0 HG21 THR A 58 13.110 3.531 9.446 1.00 1.99 H new ATOM 0 HG22 THR A 58 11.870 2.703 8.475 1.00 1.99 H new ATOM 0 HG23 THR A 58 12.174 2.192 10.152 1.00 1.99 H new ATOM 549 N LEU A 59 11.212 -0.382 9.902 1.00 1.17 N ATOM 550 CA LEU A 59 10.578 -0.975 11.090 1.00 1.34 C ATOM 551 C LEU A 59 11.270 -2.281 11.483 1.00 1.38 C ATOM 552 O LEU A 59 11.362 -2.609 12.665 1.00 1.80 O ATOM 553 CB LEU A 59 9.087 -1.201 10.843 1.00 1.71 C ATOM 554 CG LEU A 59 8.195 0.003 11.165 1.00 1.41 C ATOM 555 CD1 LEU A 59 8.064 0.180 12.670 1.00 1.74 C ATOM 556 CD2 LEU A 59 8.754 1.272 10.533 1.00 1.87 C ATOM 0 H LEU A 59 10.558 0.051 9.250 1.00 1.17 H new ATOM 0 HA LEU A 59 10.686 -0.277 11.920 1.00 1.34 H new ATOM 0 HB2 LEU A 59 8.943 -1.473 9.797 1.00 1.71 H new ATOM 0 HB3 LEU A 59 8.758 -2.050 11.442 1.00 1.71 H new ATOM 0 HG LEU A 59 7.206 -0.184 10.747 1.00 1.41 H new ATOM 0 HD11 LEU A 59 7.427 1.039 12.881 1.00 1.74 H new ATOM 0 HD12 LEU A 59 7.620 -0.716 13.104 1.00 1.74 H new ATOM 0 HD13 LEU A 59 9.050 0.344 13.104 1.00 1.74 H new ATOM 0 HD21 LEU A 59 8.106 2.114 10.774 1.00 1.87 H new ATOM 0 HD22 LEU A 59 9.755 1.462 10.921 1.00 1.87 H new ATOM 0 HD23 LEU A 59 8.802 1.149 9.451 1.00 1.87 H new ATOM 568 N ASP A 60 11.810 -2.978 10.470 1.00 1.26 N ATOM 569 CA ASP A 60 12.578 -4.210 10.651 1.00 1.54 C ATOM 570 C ASP A 60 11.764 -5.486 10.564 1.00 1.37 C ATOM 571 O ASP A 60 11.565 -6.169 11.568 1.00 1.36 O ATOM 572 CB ASP A 60 13.352 -4.204 11.964 1.00 2.10 C ATOM 573 CG ASP A 60 14.132 -2.921 12.172 1.00 2.87 C ATOM 574 OD1 ASP A 60 15.114 -2.697 11.435 1.00 3.17 O ATOM 575 OD2 ASP A 60 13.759 -2.137 13.071 1.00 3.56 O ATOM 0 H ASP A 60 11.722 -2.695 9.494 1.00 1.26 H new ATOM 0 HA ASP A 60 13.266 -4.215 9.806 1.00 1.54 H new ATOM 0 HB2 ASP A 60 12.657 -4.341 12.792 1.00 2.10 H new ATOM 0 HB3 ASP A 60 14.039 -5.050 11.981 1.00 2.10 H new ATOM 580 N LYS A 61 11.373 -5.862 9.354 1.00 1.65 N ATOM 581 CA LYS A 61 10.685 -7.123 9.176 1.00 1.85 C ATOM 582 C LYS A 61 11.764 -8.169 8.938 1.00 1.82 C ATOM 583 O LYS A 61 12.112 -8.947 9.826 1.00 1.93 O ATOM 584 CB LYS A 61 9.707 -7.052 8.002 1.00 2.35 C ATOM 585 CG LYS A 61 8.866 -8.307 7.841 1.00 2.39 C ATOM 586 CD LYS A 61 7.929 -8.204 6.648 1.00 2.98 C ATOM 587 CE LYS A 61 6.965 -9.380 6.592 1.00 3.67 C ATOM 588 NZ LYS A 61 6.040 -9.404 7.759 1.00 4.11 N ATOM 0 H LYS A 61 11.518 -5.322 8.501 1.00 1.65 H new ATOM 0 HA LYS A 61 10.088 -7.375 10.053 1.00 1.85 H new ATOM 0 HB2 LYS A 61 9.046 -6.196 8.140 1.00 2.35 H new ATOM 0 HB3 LYS A 61 10.266 -6.878 7.083 1.00 2.35 H new ATOM 0 HG2 LYS A 61 9.520 -9.170 7.717 1.00 2.39 H new ATOM 0 HG3 LYS A 61 8.285 -8.475 8.748 1.00 2.39 H new ATOM 0 HD2 LYS A 61 7.365 -7.273 6.706 1.00 2.98 H new ATOM 0 HD3 LYS A 61 8.512 -8.167 5.728 1.00 2.98 H new ATOM 0 HE2 LYS A 61 6.384 -9.328 5.671 1.00 3.67 H new ATOM 0 HE3 LYS A 61 7.531 -10.311 6.560 1.00 3.67 H new ATOM 0 HZ1 LYS A 61 5.241 -10.038 7.556 1.00 4.11 H new ATOM 0 HZ2 LYS A 61 6.549 -9.746 8.599 1.00 4.11 H new ATOM 0 HZ3 LYS A 61 5.683 -8.444 7.939 1.00 4.11 H new ATOM 602 N GLU A 62 12.361 -8.090 7.755 1.00 1.86 N ATOM 603 CA GLU A 62 13.494 -8.923 7.389 1.00 1.95 C ATOM 604 C GLU A 62 14.769 -8.141 7.700 1.00 1.79 C ATOM 605 O GLU A 62 15.793 -8.693 8.101 1.00 1.95 O ATOM 606 CB GLU A 62 13.445 -9.291 5.905 1.00 2.09 C ATOM 607 CG GLU A 62 14.633 -10.121 5.446 1.00 2.41 C ATOM 608 CD GLU A 62 14.606 -10.406 3.957 1.00 3.00 C ATOM 609 OE1 GLU A 62 13.976 -11.406 3.554 1.00 3.14 O ATOM 610 OE2 GLU A 62 15.216 -9.630 3.193 1.00 3.80 O ATOM 0 H GLU A 62 12.070 -7.443 7.022 1.00 1.86 H new ATOM 0 HA GLU A 62 13.469 -9.854 7.956 1.00 1.95 H new ATOM 0 HB2 GLU A 62 12.527 -9.844 5.706 1.00 2.09 H new ATOM 0 HB3 GLU A 62 13.401 -8.377 5.313 1.00 2.09 H new ATOM 0 HG2 GLU A 62 15.556 -9.597 5.695 1.00 2.41 H new ATOM 0 HG3 GLU A 62 14.645 -11.064 5.992 1.00 2.41 H new ATOM 617 N PHE A 63 14.656 -6.826 7.487 1.00 1.55 N ATOM 618 CA PHE A 63 15.735 -5.865 7.701 1.00 1.41 C ATOM 619 C PHE A 63 16.453 -6.112 9.024 1.00 1.54 C ATOM 620 O PHE A 63 17.655 -6.382 9.042 1.00 1.79 O ATOM 621 CB PHE A 63 15.147 -4.450 7.634 1.00 1.10 C ATOM 622 CG PHE A 63 14.252 -4.232 6.443 1.00 0.91 C ATOM 623 CD1 PHE A 63 14.353 -5.040 5.321 1.00 1.23 C ATOM 624 CD2 PHE A 63 13.285 -3.245 6.462 1.00 0.72 C ATOM 625 CE1 PHE A 63 13.515 -4.861 4.244 1.00 1.22 C ATOM 626 CE2 PHE A 63 12.438 -3.071 5.379 1.00 0.88 C ATOM 627 CZ PHE A 63 12.556 -3.877 4.273 1.00 1.02 C ATOM 0 H PHE A 63 13.794 -6.395 7.154 1.00 1.55 H new ATOM 0 HA PHE A 63 16.486 -5.983 6.920 1.00 1.41 H new ATOM 0 HB2 PHE A 63 14.581 -4.256 8.545 1.00 1.10 H new ATOM 0 HB3 PHE A 63 15.962 -3.727 7.605 1.00 1.10 H new ATOM 0 HD1 PHE A 63 15.099 -5.820 5.292 1.00 1.23 H new ATOM 0 HD2 PHE A 63 13.189 -2.605 7.327 1.00 0.72 H new ATOM 0 HE1 PHE A 63 13.611 -5.495 3.375 1.00 1.22 H new ATOM 0 HE2 PHE A 63 11.683 -2.299 5.405 1.00 0.88 H new ATOM 0 HZ PHE A 63 11.897 -3.738 3.429 1.00 1.02 H new ATOM 637 N GLY A 64 15.716 -6.043 10.125 1.00 1.52 N ATOM 638 CA GLY A 64 16.312 -6.291 11.426 1.00 1.73 C ATOM 639 C GLY A 64 16.553 -5.031 12.241 1.00 1.66 C ATOM 640 O GLY A 64 15.810 -4.742 13.178 1.00 2.32 O ATOM 0 H GLY A 64 14.721 -5.821 10.142 1.00 1.52 H new ATOM 0 HA2 GLY A 64 15.662 -6.959 11.991 1.00 1.73 H new ATOM 0 HA3 GLY A 64 17.261 -6.810 11.288 1.00 1.73 H new ATOM 644 N LEU A 65 17.602 -4.288 11.900 1.00 1.73 N ATOM 645 CA LEU A 65 17.932 -3.067 12.630 1.00 2.08 C ATOM 646 C LEU A 65 18.294 -1.929 11.683 1.00 2.04 C ATOM 647 O LEU A 65 19.470 -1.685 11.415 1.00 2.62 O ATOM 648 CB LEU A 65 19.091 -3.323 13.594 1.00 2.62 C ATOM 649 CG LEU A 65 18.843 -4.420 14.629 1.00 2.98 C ATOM 650 CD1 LEU A 65 18.794 -5.786 13.959 1.00 3.23 C ATOM 651 CD2 LEU A 65 19.917 -4.389 15.706 1.00 3.51 C ATOM 0 H LEU A 65 18.234 -4.507 11.130 1.00 1.73 H new ATOM 0 HA LEU A 65 17.047 -2.772 13.194 1.00 2.08 H new ATOM 0 HB2 LEU A 65 19.975 -3.586 13.013 1.00 2.62 H new ATOM 0 HB3 LEU A 65 19.319 -2.395 14.118 1.00 2.62 H new ATOM 0 HG LEU A 65 17.878 -4.236 15.101 1.00 2.98 H new ATOM 0 HD11 LEU A 65 18.617 -6.554 14.712 1.00 3.23 H new ATOM 0 HD12 LEU A 65 17.987 -5.803 13.226 1.00 3.23 H new ATOM 0 HD13 LEU A 65 19.743 -5.980 13.459 1.00 3.23 H new ATOM 0 HD21 LEU A 65 19.725 -5.177 16.434 1.00 3.51 H new ATOM 0 HD22 LEU A 65 20.894 -4.547 15.250 1.00 3.51 H new ATOM 0 HD23 LEU A 65 19.903 -3.421 16.206 1.00 3.51 H new ATOM 663 N ASP A 66 17.278 -1.228 11.191 1.00 1.94 N ATOM 664 CA ASP A 66 17.488 -0.105 10.282 1.00 2.04 C ATOM 665 C ASP A 66 18.193 -0.553 9.005 1.00 1.41 C ATOM 666 O ASP A 66 19.142 -1.335 9.050 1.00 1.89 O ATOM 667 CB ASP A 66 18.307 0.988 10.970 1.00 2.97 C ATOM 668 CG ASP A 66 17.659 1.482 12.249 1.00 4.03 C ATOM 669 OD1 ASP A 66 17.925 0.889 13.315 1.00 4.42 O ATOM 670 OD2 ASP A 66 16.888 2.463 12.183 1.00 4.70 O ATOM 0 H ASP A 66 16.299 -1.417 11.406 1.00 1.94 H new ATOM 0 HA ASP A 66 16.510 0.294 10.012 1.00 2.04 H new ATOM 0 HB2 ASP A 66 19.302 0.604 11.196 1.00 2.97 H new ATOM 0 HB3 ASP A 66 18.436 1.826 10.285 1.00 2.97 H new ATOM 675 N SER A 67 17.727 -0.044 7.869 1.00 1.46 N ATOM 676 CA SER A 67 18.317 -0.383 6.577 1.00 2.04 C ATOM 677 C SER A 67 17.480 0.170 5.431 1.00 2.10 C ATOM 678 O SER A 67 18.011 0.564 4.392 1.00 2.64 O ATOM 679 CB SER A 67 18.460 -1.901 6.428 1.00 2.55 C ATOM 680 OG SER A 67 18.791 -2.252 5.096 1.00 2.95 O ATOM 0 H SER A 67 16.942 0.605 7.816 1.00 1.46 H new ATOM 0 HA SER A 67 19.307 0.072 6.537 1.00 2.04 H new ATOM 0 HB2 SER A 67 19.232 -2.265 7.106 1.00 2.55 H new ATOM 0 HB3 SER A 67 17.528 -2.387 6.715 1.00 2.55 H new ATOM 0 HG SER A 67 18.878 -3.226 5.026 1.00 2.95 H new ATOM 686 N THR A 68 16.169 0.192 5.627 1.00 1.67 N ATOM 687 CA THR A 68 15.248 0.693 4.612 1.00 1.78 C ATOM 688 C THR A 68 15.673 2.064 4.104 1.00 1.59 C ATOM 689 O THR A 68 15.310 2.452 2.994 1.00 2.23 O ATOM 690 CB THR A 68 13.826 0.744 5.164 1.00 2.14 C ATOM 691 OG1 THR A 68 13.343 -0.565 5.369 1.00 2.77 O ATOM 692 CG2 THR A 68 12.842 1.450 4.256 1.00 2.70 C ATOM 0 H THR A 68 15.717 -0.132 6.482 1.00 1.67 H new ATOM 0 HA THR A 68 15.273 0.004 3.768 1.00 1.78 H new ATOM 0 HB THR A 68 13.895 1.308 6.094 1.00 2.14 H new ATOM 0 HG1 THR A 68 13.932 -1.037 5.994 1.00 2.77 H new ATOM 0 HG21 THR A 68 11.854 1.445 4.716 1.00 2.70 H new ATOM 0 HG22 THR A 68 13.165 2.479 4.100 1.00 2.70 H new ATOM 0 HG23 THR A 68 12.798 0.934 3.297 1.00 2.70 H new ATOM 700 N ASN A 69 16.455 2.793 4.907 1.00 1.07 N ATOM 701 CA ASN A 69 16.936 4.117 4.506 1.00 1.18 C ATOM 702 C ASN A 69 17.404 4.085 3.055 1.00 1.14 C ATOM 703 O ASN A 69 17.279 5.062 2.317 1.00 2.00 O ATOM 704 CB ASN A 69 18.087 4.565 5.410 1.00 1.57 C ATOM 705 CG ASN A 69 17.614 5.312 6.639 1.00 1.96 C ATOM 706 OD1 ASN A 69 16.645 6.069 6.584 1.00 2.86 O ATOM 707 ND2 ASN A 69 18.296 5.099 7.757 1.00 1.89 N ATOM 0 H ASN A 69 16.766 2.491 5.830 1.00 1.07 H new ATOM 0 HA ASN A 69 16.115 4.827 4.604 1.00 1.18 H new ATOM 0 HB2 ASN A 69 18.660 3.691 5.720 1.00 1.57 H new ATOM 0 HB3 ASN A 69 18.762 5.203 4.840 1.00 1.57 H new ATOM 0 HD21 ASN A 69 18.023 5.572 8.619 1.00 1.89 H new ATOM 0 HD22 ASN A 69 19.093 4.462 7.755 1.00 1.89 H new ATOM 714 N ASN A 70 17.915 2.925 2.659 1.00 1.04 N ATOM 715 CA ASN A 70 18.379 2.702 1.302 1.00 1.32 C ATOM 716 C ASN A 70 17.422 1.742 0.603 1.00 1.16 C ATOM 717 O ASN A 70 16.961 0.772 1.206 1.00 1.05 O ATOM 718 CB ASN A 70 19.797 2.124 1.313 1.00 1.70 C ATOM 719 CG ASN A 70 20.764 2.921 0.457 1.00 1.67 C ATOM 720 OD1 ASN A 70 20.276 3.456 -0.657 1.00 2.23 O flip ATOM 721 ND2 ASN A 70 21.943 3.047 0.789 1.00 1.52 N flip ATOM 0 H ASN A 70 18.018 2.116 3.271 1.00 1.04 H new ATOM 0 HA ASN A 70 18.403 3.650 0.764 1.00 1.32 H new ATOM 0 HB2 ASN A 70 20.165 2.096 2.339 1.00 1.70 H new ATOM 0 HB3 ASN A 70 19.767 1.094 0.957 1.00 1.70 H new ATOM 0 HD21 ASN A 70 22.278 2.620 1.653 1.00 1.52 H new ATOM 0 HD22 ASN A 70 22.585 3.578 0.200 1.00 1.52 H new ATOM 728 N ILE A 71 17.108 2.017 -0.656 1.00 1.26 N ATOM 729 CA ILE A 71 16.186 1.177 -1.416 1.00 1.24 C ATOM 730 C ILE A 71 16.463 -0.312 -1.203 1.00 1.02 C ATOM 731 O ILE A 71 15.560 -1.135 -1.310 1.00 0.95 O ATOM 732 CB ILE A 71 16.268 1.495 -2.922 1.00 1.56 C ATOM 733 CG1 ILE A 71 15.958 2.973 -3.171 1.00 1.60 C ATOM 734 CG2 ILE A 71 15.318 0.606 -3.712 1.00 2.25 C ATOM 735 CD1 ILE A 71 14.611 3.407 -2.635 1.00 1.84 C ATOM 0 H ILE A 71 17.477 2.814 -1.174 1.00 1.26 H new ATOM 0 HA ILE A 71 15.184 1.399 -1.049 1.00 1.24 H new ATOM 0 HB ILE A 71 17.283 1.293 -3.263 1.00 1.56 H new ATOM 0 HG12 ILE A 71 16.736 3.582 -2.711 1.00 1.60 H new ATOM 0 HG13 ILE A 71 15.993 3.168 -4.243 1.00 1.60 H new ATOM 0 HG21 ILE A 71 15.392 0.847 -4.773 1.00 2.25 H new ATOM 0 HG22 ILE A 71 15.585 -0.439 -3.558 1.00 2.25 H new ATOM 0 HG23 ILE A 71 14.296 0.773 -3.372 1.00 2.25 H new ATOM 0 HD11 ILE A 71 14.459 4.465 -2.847 1.00 1.84 H new ATOM 0 HD12 ILE A 71 13.824 2.824 -3.114 1.00 1.84 H new ATOM 0 HD13 ILE A 71 14.579 3.245 -1.558 1.00 1.84 H new ATOM 747 N GLU A 72 17.713 -0.652 -0.909 1.00 1.00 N ATOM 748 CA GLU A 72 18.098 -2.046 -0.696 1.00 0.97 C ATOM 749 C GLU A 72 17.118 -2.779 0.226 1.00 0.79 C ATOM 750 O GLU A 72 16.487 -3.756 -0.179 1.00 0.78 O ATOM 751 CB GLU A 72 19.510 -2.115 -0.110 1.00 1.11 C ATOM 752 CG GLU A 72 20.000 -3.533 0.136 1.00 1.49 C ATOM 753 CD GLU A 72 21.395 -3.574 0.724 1.00 1.95 C ATOM 754 OE1 GLU A 72 22.369 -3.443 -0.046 1.00 2.41 O ATOM 755 OE2 GLU A 72 21.515 -3.737 1.957 1.00 2.49 O ATOM 0 H GLU A 72 18.478 0.016 -0.812 1.00 1.00 H new ATOM 0 HA GLU A 72 18.075 -2.543 -1.666 1.00 0.97 H new ATOM 0 HB2 GLU A 72 20.200 -1.614 -0.788 1.00 1.11 H new ATOM 0 HB3 GLU A 72 19.531 -1.564 0.830 1.00 1.11 H new ATOM 0 HG2 GLU A 72 19.310 -4.040 0.811 1.00 1.49 H new ATOM 0 HG3 GLU A 72 19.990 -4.085 -0.804 1.00 1.49 H new ATOM 762 N ALA A 73 17.005 -2.313 1.466 1.00 0.70 N ATOM 763 CA ALA A 73 16.117 -2.936 2.443 1.00 0.60 C ATOM 764 C ALA A 73 14.674 -2.941 1.965 1.00 0.54 C ATOM 765 O ALA A 73 14.078 -4.002 1.783 1.00 0.56 O ATOM 766 CB ALA A 73 16.226 -2.227 3.782 1.00 0.66 C ATOM 0 H ALA A 73 17.518 -1.505 1.819 1.00 0.70 H new ATOM 0 HA ALA A 73 16.431 -3.973 2.562 1.00 0.60 H new ATOM 0 HB1 ALA A 73 15.558 -2.702 4.501 1.00 0.66 H new ATOM 0 HB2 ALA A 73 17.252 -2.289 4.144 1.00 0.66 H new ATOM 0 HB3 ALA A 73 15.946 -1.180 3.663 1.00 0.66 H new ATOM 772 N ALA A 74 14.110 -1.759 1.745 1.00 0.56 N ATOM 773 CA ALA A 74 12.738 -1.672 1.271 1.00 0.65 C ATOM 774 C ALA A 74 12.573 -2.497 0.000 1.00 0.63 C ATOM 775 O ALA A 74 11.478 -2.960 -0.316 1.00 0.73 O ATOM 776 CB ALA A 74 12.328 -0.226 1.044 1.00 0.77 C ATOM 0 H ALA A 74 14.574 -0.862 1.885 1.00 0.56 H new ATOM 0 HA ALA A 74 12.079 -2.080 2.037 1.00 0.65 H new ATOM 0 HB1 ALA A 74 11.298 -0.191 0.690 1.00 0.77 H new ATOM 0 HB2 ALA A 74 12.409 0.326 1.980 1.00 0.77 H new ATOM 0 HB3 ALA A 74 12.983 0.225 0.299 1.00 0.77 H new ATOM 782 N LYS A 75 13.680 -2.705 -0.713 1.00 0.60 N ATOM 783 CA LYS A 75 13.655 -3.502 -1.930 1.00 0.69 C ATOM 784 C LYS A 75 13.560 -4.983 -1.583 1.00 0.68 C ATOM 785 O LYS A 75 13.131 -5.788 -2.406 1.00 0.81 O ATOM 786 CB LYS A 75 14.892 -3.235 -2.791 1.00 0.81 C ATOM 787 CG LYS A 75 14.960 -4.091 -4.045 1.00 1.26 C ATOM 788 CD LYS A 75 16.138 -3.694 -4.921 1.00 1.49 C ATOM 789 CE LYS A 75 16.218 -4.554 -6.171 1.00 1.90 C ATOM 790 NZ LYS A 75 17.335 -4.135 -7.062 1.00 2.16 N ATOM 0 H LYS A 75 14.598 -2.333 -0.467 1.00 0.60 H new ATOM 0 HA LYS A 75 12.776 -3.215 -2.508 1.00 0.69 H new ATOM 0 HB2 LYS A 75 14.904 -2.184 -3.078 1.00 0.81 H new ATOM 0 HB3 LYS A 75 15.786 -3.412 -2.192 1.00 0.81 H new ATOM 0 HG2 LYS A 75 15.048 -5.141 -3.767 1.00 1.26 H new ATOM 0 HG3 LYS A 75 14.033 -3.988 -4.609 1.00 1.26 H new ATOM 0 HD2 LYS A 75 16.045 -2.646 -5.205 1.00 1.49 H new ATOM 0 HD3 LYS A 75 17.063 -3.789 -4.353 1.00 1.49 H new ATOM 0 HE2 LYS A 75 16.353 -5.597 -5.886 1.00 1.90 H new ATOM 0 HE3 LYS A 75 15.276 -4.491 -6.716 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 17.356 -4.746 -7.903 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 17.194 -3.147 -7.355 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 18.237 -4.219 -6.551 1.00 2.16 H new ATOM 804 N LYS A 76 13.938 -5.341 -0.351 1.00 0.60 N ATOM 805 CA LYS A 76 13.847 -6.735 0.072 1.00 0.66 C ATOM 806 C LYS A 76 12.389 -7.074 0.354 1.00 0.60 C ATOM 807 O LYS A 76 11.801 -7.949 -0.280 1.00 0.68 O ATOM 808 CB LYS A 76 14.661 -7.034 1.341 1.00 0.73 C ATOM 809 CG LYS A 76 15.963 -6.265 1.488 1.00 0.96 C ATOM 810 CD LYS A 76 16.484 -6.359 2.917 1.00 1.23 C ATOM 811 CE LYS A 76 17.957 -5.991 3.000 1.00 2.08 C ATOM 812 NZ LYS A 76 18.471 -6.060 4.395 1.00 2.52 N ATOM 0 H LYS A 76 14.301 -4.699 0.353 1.00 0.60 H new ATOM 0 HA LYS A 76 14.257 -7.339 -0.737 1.00 0.66 H new ATOM 0 HB2 LYS A 76 14.036 -6.823 2.209 1.00 0.73 H new ATOM 0 HB3 LYS A 76 14.886 -8.100 1.363 1.00 0.73 H new ATOM 0 HG2 LYS A 76 16.706 -6.663 0.797 1.00 0.96 H new ATOM 0 HG3 LYS A 76 15.806 -5.220 1.220 1.00 0.96 H new ATOM 0 HD2 LYS A 76 15.906 -5.696 3.560 1.00 1.23 H new ATOM 0 HD3 LYS A 76 16.340 -7.372 3.292 1.00 1.23 H new ATOM 0 HE2 LYS A 76 18.535 -6.664 2.367 1.00 2.08 H new ATOM 0 HE3 LYS A 76 18.102 -4.984 2.610 1.00 2.08 H new ATOM 0 HZ1 LYS A 76 19.478 -5.802 4.407 1.00 2.52 H new ATOM 0 HZ2 LYS A 76 17.937 -5.399 4.995 1.00 2.52 H new ATOM 0 HZ3 LYS A 76 18.357 -7.027 4.759 1.00 2.52 H new ATOM 826 N VAL A 77 11.821 -6.363 1.328 1.00 0.54 N ATOM 827 CA VAL A 77 10.434 -6.563 1.729 1.00 0.59 C ATOM 828 C VAL A 77 9.468 -5.761 0.861 1.00 0.57 C ATOM 829 O VAL A 77 8.511 -6.313 0.319 1.00 0.62 O ATOM 830 CB VAL A 77 10.222 -6.184 3.204 1.00 0.76 C ATOM 831 CG1 VAL A 77 8.821 -6.556 3.653 1.00 1.04 C ATOM 832 CG2 VAL A 77 11.264 -6.855 4.085 1.00 1.61 C ATOM 0 H VAL A 77 12.307 -5.638 1.856 1.00 0.54 H new ATOM 0 HA VAL A 77 10.223 -7.624 1.594 1.00 0.59 H new ATOM 0 HB VAL A 77 10.338 -5.105 3.301 1.00 0.76 H new ATOM 0 HG11 VAL A 77 8.689 -6.280 4.699 1.00 1.04 H new ATOM 0 HG12 VAL A 77 8.090 -6.025 3.043 1.00 1.04 H new ATOM 0 HG13 VAL A 77 8.676 -7.630 3.540 1.00 1.04 H new ATOM 0 HG21 VAL A 77 11.097 -6.574 5.125 1.00 1.61 H new ATOM 0 HG22 VAL A 77 11.183 -7.937 3.984 1.00 1.61 H new ATOM 0 HG23 VAL A 77 12.260 -6.535 3.779 1.00 1.61 H new ATOM 842 N GLY A 78 9.717 -4.455 0.729 1.00 0.61 N ATOM 843 CA GLY A 78 8.845 -3.614 -0.083 1.00 0.76 C ATOM 844 C GLY A 78 8.525 -4.262 -1.420 1.00 0.78 C ATOM 845 O GLY A 78 7.426 -4.106 -1.952 1.00 0.94 O ATOM 0 H GLY A 78 10.500 -3.968 1.166 1.00 0.61 H new ATOM 0 HA2 GLY A 78 7.919 -3.420 0.458 1.00 0.76 H new ATOM 0 HA3 GLY A 78 9.324 -2.649 -0.251 1.00 0.76 H new ATOM 849 N GLU A 79 9.489 -5.017 -1.945 1.00 0.70 N ATOM 850 CA GLU A 79 9.310 -5.723 -3.208 1.00 0.82 C ATOM 851 C GLU A 79 8.573 -7.031 -2.960 1.00 0.77 C ATOM 852 O GLU A 79 7.640 -7.380 -3.683 1.00 0.79 O ATOM 853 CB GLU A 79 10.662 -6.007 -3.864 1.00 0.91 C ATOM 854 CG GLU A 79 10.560 -6.813 -5.148 1.00 1.18 C ATOM 855 CD GLU A 79 9.770 -6.098 -6.228 1.00 1.88 C ATOM 856 OE1 GLU A 79 10.293 -5.114 -6.793 1.00 2.16 O ATOM 857 OE2 GLU A 79 8.631 -6.525 -6.511 1.00 2.67 O ATOM 0 H GLU A 79 10.403 -5.154 -1.513 1.00 0.70 H new ATOM 0 HA GLU A 79 8.725 -5.095 -3.880 1.00 0.82 H new ATOM 0 HB2 GLU A 79 11.158 -5.060 -4.078 1.00 0.91 H new ATOM 0 HB3 GLU A 79 11.293 -6.545 -3.157 1.00 0.91 H new ATOM 0 HG2 GLU A 79 11.563 -7.027 -5.518 1.00 1.18 H new ATOM 0 HG3 GLU A 79 10.088 -7.772 -4.933 1.00 1.18 H new ATOM 864 N LEU A 80 8.993 -7.743 -1.916 1.00 0.76 N ATOM 865 CA LEU A 80 8.365 -9.006 -1.552 1.00 0.78 C ATOM 866 C LEU A 80 6.863 -8.806 -1.407 1.00 0.72 C ATOM 867 O LEU A 80 6.069 -9.472 -2.069 1.00 0.73 O ATOM 868 CB LEU A 80 8.954 -9.538 -0.244 1.00 0.86 C ATOM 869 CG LEU A 80 8.391 -10.883 0.219 1.00 1.28 C ATOM 870 CD1 LEU A 80 8.682 -11.964 -0.811 1.00 1.69 C ATOM 871 CD2 LEU A 80 8.969 -11.266 1.573 1.00 2.00 C ATOM 0 H LEU A 80 9.765 -7.465 -1.310 1.00 0.76 H new ATOM 0 HA LEU A 80 8.557 -9.736 -2.338 1.00 0.78 H new ATOM 0 HB2 LEU A 80 10.033 -9.634 -0.362 1.00 0.86 H new ATOM 0 HB3 LEU A 80 8.783 -8.800 0.540 1.00 0.86 H new ATOM 0 HG LEU A 80 7.310 -10.787 0.322 1.00 1.28 H new ATOM 0 HD11 LEU A 80 8.275 -12.914 -0.466 1.00 1.69 H new ATOM 0 HD12 LEU A 80 8.220 -11.695 -1.761 1.00 1.69 H new ATOM 0 HD13 LEU A 80 9.760 -12.058 -0.945 1.00 1.69 H new ATOM 0 HD21 LEU A 80 8.557 -12.225 1.886 1.00 2.00 H new ATOM 0 HD22 LEU A 80 10.054 -11.344 1.497 1.00 2.00 H new ATOM 0 HD23 LEU A 80 8.711 -10.503 2.308 1.00 2.00 H new ATOM 883 N VAL A 81 6.485 -7.856 -0.557 1.00 0.75 N ATOM 884 CA VAL A 81 5.081 -7.543 -0.353 1.00 0.76 C ATOM 885 C VAL A 81 4.457 -7.107 -1.669 1.00 0.74 C ATOM 886 O VAL A 81 3.314 -7.444 -1.970 1.00 0.74 O ATOM 887 CB VAL A 81 4.893 -6.427 0.684 1.00 0.85 C ATOM 888 CG1 VAL A 81 5.650 -5.178 0.260 1.00 1.14 C ATOM 889 CG2 VAL A 81 3.413 -6.133 0.877 1.00 0.95 C ATOM 0 H VAL A 81 7.130 -7.294 -0.002 1.00 0.75 H new ATOM 0 HA VAL A 81 4.592 -8.443 0.020 1.00 0.76 H new ATOM 0 HB VAL A 81 5.300 -6.759 1.639 1.00 0.85 H new ATOM 0 HG11 VAL A 81 5.507 -4.395 1.005 1.00 1.14 H new ATOM 0 HG12 VAL A 81 6.712 -5.408 0.174 1.00 1.14 H new ATOM 0 HG13 VAL A 81 5.274 -4.834 -0.704 1.00 1.14 H new ATOM 0 HG21 VAL A 81 3.293 -5.340 1.615 1.00 0.95 H new ATOM 0 HG22 VAL A 81 2.978 -5.816 -0.071 1.00 0.95 H new ATOM 0 HG23 VAL A 81 2.906 -7.033 1.226 1.00 0.95 H new ATOM 899 N ALA A 82 5.231 -6.364 -2.457 1.00 0.81 N ATOM 900 CA ALA A 82 4.771 -5.893 -3.754 1.00 0.87 C ATOM 901 C ALA A 82 4.428 -7.078 -4.642 1.00 0.79 C ATOM 902 O ALA A 82 3.405 -7.082 -5.325 1.00 0.85 O ATOM 903 CB ALA A 82 5.831 -5.025 -4.412 1.00 1.03 C ATOM 0 H ALA A 82 6.180 -6.077 -2.217 1.00 0.81 H new ATOM 0 HA ALA A 82 3.876 -5.288 -3.611 1.00 0.87 H new ATOM 0 HB1 ALA A 82 5.470 -4.682 -5.381 1.00 1.03 H new ATOM 0 HB2 ALA A 82 6.042 -4.164 -3.777 1.00 1.03 H new ATOM 0 HB3 ALA A 82 6.743 -5.606 -4.550 1.00 1.03 H new ATOM 909 N LYS A 83 5.282 -8.097 -4.607 1.00 0.81 N ATOM 910 CA LYS A 83 5.059 -9.304 -5.388 1.00 0.89 C ATOM 911 C LYS A 83 3.746 -9.943 -4.963 1.00 0.81 C ATOM 912 O LYS A 83 2.996 -10.463 -5.789 1.00 0.90 O ATOM 913 CB LYS A 83 6.213 -10.289 -5.194 1.00 1.06 C ATOM 914 CG LYS A 83 5.974 -11.647 -5.834 1.00 1.43 C ATOM 915 CD LYS A 83 5.824 -11.538 -7.343 1.00 1.75 C ATOM 916 CE LYS A 83 5.667 -12.906 -7.986 1.00 2.04 C ATOM 917 NZ LYS A 83 6.833 -13.787 -7.703 1.00 2.68 N ATOM 0 H LYS A 83 6.134 -8.108 -4.046 1.00 0.81 H new ATOM 0 HA LYS A 83 5.009 -9.041 -6.445 1.00 0.89 H new ATOM 0 HB2 LYS A 83 7.122 -9.856 -5.611 1.00 1.06 H new ATOM 0 HB3 LYS A 83 6.386 -10.426 -4.127 1.00 1.06 H new ATOM 0 HG2 LYS A 83 6.805 -12.312 -5.598 1.00 1.43 H new ATOM 0 HG3 LYS A 83 5.076 -12.096 -5.410 1.00 1.43 H new ATOM 0 HD2 LYS A 83 4.957 -10.921 -7.580 1.00 1.75 H new ATOM 0 HD3 LYS A 83 6.696 -11.036 -7.761 1.00 1.75 H new ATOM 0 HE2 LYS A 83 4.757 -13.379 -7.617 1.00 2.04 H new ATOM 0 HE3 LYS A 83 5.552 -12.790 -9.064 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 6.847 -14.574 -8.383 1.00 2.68 H new ATOM 0 HZ2 LYS A 83 7.712 -13.238 -7.791 1.00 2.68 H new ATOM 0 HZ3 LYS A 83 6.756 -14.165 -6.737 1.00 2.68 H new ATOM 931 N ARG A 84 3.469 -9.876 -3.664 1.00 0.81 N ATOM 932 CA ARG A 84 2.238 -10.424 -3.116 1.00 0.84 C ATOM 933 C ARG A 84 1.071 -9.505 -3.451 1.00 0.61 C ATOM 934 O ARG A 84 -0.023 -9.962 -3.777 1.00 0.71 O ATOM 935 CB ARG A 84 2.358 -10.592 -1.599 1.00 1.13 C ATOM 936 CG ARG A 84 3.586 -11.380 -1.170 1.00 1.39 C ATOM 937 CD ARG A 84 3.606 -12.766 -1.795 1.00 1.98 C ATOM 938 NE ARG A 84 4.883 -13.444 -1.585 1.00 2.44 N ATOM 939 CZ ARG A 84 5.282 -14.497 -2.291 1.00 3.11 C ATOM 940 NH1 ARG A 84 4.499 -15.000 -3.236 1.00 3.54 N ATOM 941 NH2 ARG A 84 6.463 -15.049 -2.053 1.00 3.69 N ATOM 0 H ARG A 84 4.083 -9.446 -2.972 1.00 0.81 H new ATOM 0 HA ARG A 84 2.060 -11.404 -3.560 1.00 0.84 H new ATOM 0 HB2 ARG A 84 2.388 -9.607 -1.134 1.00 1.13 H new ATOM 0 HB3 ARG A 84 1.465 -11.094 -1.225 1.00 1.13 H new ATOM 0 HG2 ARG A 84 4.486 -10.837 -1.458 1.00 1.39 H new ATOM 0 HG3 ARG A 84 3.601 -11.469 -0.084 1.00 1.39 H new ATOM 0 HD2 ARG A 84 2.802 -13.367 -1.369 1.00 1.98 H new ATOM 0 HD3 ARG A 84 3.411 -12.684 -2.864 1.00 1.98 H new ATOM 0 HE ARG A 84 5.503 -13.090 -0.856 1.00 2.44 H new ATOM 0 HH11 ARG A 84 3.589 -14.579 -3.422 1.00 3.54 H new ATOM 0 HH12 ARG A 84 4.807 -15.808 -3.777 1.00 3.54 H new ATOM 0 HH21 ARG A 84 7.068 -14.666 -1.327 1.00 3.69 H new ATOM 0 HH22 ARG A 84 6.767 -15.857 -2.596 1.00 3.69 H new ATOM 955 N ALA A 85 1.323 -8.200 -3.387 1.00 0.61 N ATOM 956 CA ALA A 85 0.308 -7.208 -3.700 1.00 0.80 C ATOM 957 C ALA A 85 -0.103 -7.326 -5.157 1.00 1.06 C ATOM 958 O ALA A 85 -1.291 -7.338 -5.481 1.00 1.38 O ATOM 959 CB ALA A 85 0.822 -5.806 -3.396 1.00 1.21 C ATOM 0 H ALA A 85 2.226 -7.808 -3.120 1.00 0.61 H new ATOM 0 HA ALA A 85 -0.567 -7.391 -3.077 1.00 0.80 H new ATOM 0 HB1 ALA A 85 0.050 -5.075 -3.636 1.00 1.21 H new ATOM 0 HB2 ALA A 85 1.075 -5.733 -2.338 1.00 1.21 H new ATOM 0 HB3 ALA A 85 1.710 -5.606 -3.996 1.00 1.21 H new ATOM 965 N LEU A 86 0.890 -7.436 -6.031 1.00 1.11 N ATOM 966 CA LEU A 86 0.634 -7.580 -7.453 1.00 1.61 C ATOM 967 C LEU A 86 0.109 -8.985 -7.745 1.00 1.90 C ATOM 968 O LEU A 86 -0.593 -9.205 -8.733 1.00 2.47 O ATOM 969 CB LEU A 86 1.905 -7.301 -8.258 1.00 1.64 C ATOM 970 CG LEU A 86 3.051 -8.287 -8.031 1.00 1.91 C ATOM 971 CD1 LEU A 86 2.797 -9.581 -8.786 1.00 2.52 C ATOM 972 CD2 LEU A 86 4.376 -7.670 -8.453 1.00 1.92 C ATOM 0 H LEU A 86 1.878 -7.428 -5.777 1.00 1.11 H new ATOM 0 HA LEU A 86 -0.122 -6.853 -7.752 1.00 1.61 H new ATOM 0 HB2 LEU A 86 1.651 -7.302 -9.318 1.00 1.64 H new ATOM 0 HB3 LEU A 86 2.257 -6.298 -8.015 1.00 1.64 H new ATOM 0 HG LEU A 86 3.104 -8.516 -6.967 1.00 1.91 H new ATOM 0 HD11 LEU A 86 3.623 -10.271 -8.613 1.00 2.52 H new ATOM 0 HD12 LEU A 86 1.868 -10.031 -8.435 1.00 2.52 H new ATOM 0 HD13 LEU A 86 2.717 -9.370 -9.852 1.00 2.52 H new ATOM 0 HD21 LEU A 86 5.181 -8.386 -8.284 1.00 1.92 H new ATOM 0 HD22 LEU A 86 4.336 -7.411 -9.511 1.00 1.92 H new ATOM 0 HD23 LEU A 86 4.562 -6.770 -7.866 1.00 1.92 H new ATOM 984 N GLU A 87 0.443 -9.932 -6.863 1.00 1.70 N ATOM 985 CA GLU A 87 -0.005 -11.313 -7.008 1.00 2.11 C ATOM 986 C GLU A 87 -1.469 -11.439 -6.624 1.00 1.86 C ATOM 987 O GLU A 87 -2.312 -11.795 -7.448 1.00 2.33 O ATOM 988 CB GLU A 87 0.830 -12.244 -6.128 1.00 2.40 C ATOM 989 CG GLU A 87 1.970 -12.910 -6.871 1.00 2.35 C ATOM 990 CD GLU A 87 1.513 -14.096 -7.698 1.00 2.89 C ATOM 991 OE1 GLU A 87 1.098 -13.888 -8.856 1.00 3.20 O ATOM 992 OE2 GLU A 87 1.572 -15.233 -7.185 1.00 3.30 O ATOM 0 H GLU A 87 1.023 -9.763 -6.041 1.00 1.70 H new ATOM 0 HA GLU A 87 0.120 -11.600 -8.052 1.00 2.11 H new ATOM 0 HB2 GLU A 87 1.235 -11.675 -5.291 1.00 2.40 H new ATOM 0 HB3 GLU A 87 0.182 -13.013 -5.707 1.00 2.40 H new ATOM 0 HG2 GLU A 87 2.449 -12.180 -7.523 1.00 2.35 H new ATOM 0 HG3 GLU A 87 2.722 -13.240 -6.155 1.00 2.35 H new ATOM 999 N LYS A 88 -1.767 -11.136 -5.363 1.00 1.30 N ATOM 1000 CA LYS A 88 -3.133 -11.206 -4.871 1.00 1.38 C ATOM 1001 C LYS A 88 -4.063 -10.440 -5.798 1.00 1.33 C ATOM 1002 O LYS A 88 -4.978 -11.009 -6.392 1.00 2.14 O ATOM 1003 CB LYS A 88 -3.228 -10.640 -3.454 1.00 1.54 C ATOM 1004 CG LYS A 88 -2.907 -11.655 -2.368 1.00 1.94 C ATOM 1005 CD LYS A 88 -1.444 -12.062 -2.396 1.00 1.92 C ATOM 1006 CE LYS A 88 -1.152 -13.147 -1.374 1.00 2.31 C ATOM 1007 NZ LYS A 88 0.302 -13.461 -1.298 1.00 3.30 N ATOM 0 H LYS A 88 -1.081 -10.841 -4.668 1.00 1.30 H new ATOM 0 HA LYS A 88 -3.435 -12.253 -4.847 1.00 1.38 H new ATOM 0 HB2 LYS A 88 -2.545 -9.795 -3.363 1.00 1.54 H new ATOM 0 HB3 LYS A 88 -4.235 -10.255 -3.293 1.00 1.54 H new ATOM 0 HG2 LYS A 88 -3.149 -11.233 -1.392 1.00 1.94 H new ATOM 0 HG3 LYS A 88 -3.533 -12.538 -2.498 1.00 1.94 H new ATOM 0 HD2 LYS A 88 -1.183 -12.419 -3.392 1.00 1.92 H new ATOM 0 HD3 LYS A 88 -0.819 -11.192 -2.195 1.00 1.92 H new ATOM 0 HE2 LYS A 88 -1.506 -12.827 -0.394 1.00 2.31 H new ATOM 0 HE3 LYS A 88 -1.705 -14.049 -1.634 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 0.431 -14.488 -1.197 1.00 3.30 H new ATOM 0 HZ2 LYS A 88 0.773 -13.137 -2.167 1.00 3.30 H new ATOM 0 HZ3 LYS A 88 0.719 -12.978 -0.477 1.00 3.30 H new ATOM 1021 N GLY A 89 -3.797 -9.149 -5.939 1.00 1.17 N ATOM 1022 CA GLY A 89 -4.593 -8.329 -6.820 1.00 1.54 C ATOM 1023 C GLY A 89 -4.493 -8.820 -8.250 1.00 1.65 C ATOM 1024 O GLY A 89 -3.397 -9.123 -8.721 1.00 2.42 O ATOM 0 H GLY A 89 -3.044 -8.658 -5.458 1.00 1.17 H new ATOM 0 HA2 GLY A 89 -5.634 -8.345 -6.497 1.00 1.54 H new ATOM 0 HA3 GLY A 89 -4.257 -7.294 -6.762 1.00 1.54 H new ATOM 1028 N ILE A 90 -5.625 -8.894 -8.952 1.00 1.54 N ATOM 1029 CA ILE A 90 -5.636 -9.345 -10.348 1.00 1.78 C ATOM 1030 C ILE A 90 -4.472 -8.721 -11.122 1.00 1.49 C ATOM 1031 O ILE A 90 -3.935 -9.310 -12.061 1.00 1.75 O ATOM 1032 CB ILE A 90 -6.977 -8.987 -11.037 1.00 2.16 C ATOM 1033 CG1 ILE A 90 -6.909 -9.227 -12.549 1.00 2.83 C ATOM 1034 CG2 ILE A 90 -7.353 -7.541 -10.751 1.00 2.23 C ATOM 1035 CD1 ILE A 90 -8.234 -9.035 -13.250 1.00 3.26 C ATOM 0 H ILE A 90 -6.543 -8.649 -8.581 1.00 1.54 H new ATOM 0 HA ILE A 90 -5.524 -10.429 -10.349 1.00 1.78 H new ATOM 0 HB ILE A 90 -7.746 -9.641 -10.626 1.00 2.16 H new ATOM 0 HG12 ILE A 90 -6.175 -8.548 -12.984 1.00 2.83 H new ATOM 0 HG13 ILE A 90 -6.554 -10.241 -12.732 1.00 2.83 H new ATOM 0 HG21 ILE A 90 -8.297 -7.307 -11.242 1.00 2.23 H new ATOM 0 HG22 ILE A 90 -7.458 -7.398 -9.676 1.00 2.23 H new ATOM 0 HG23 ILE A 90 -6.573 -6.880 -11.130 1.00 2.23 H new ATOM 0 HD11 ILE A 90 -8.111 -9.221 -14.317 1.00 3.26 H new ATOM 0 HD12 ILE A 90 -8.966 -9.732 -12.842 1.00 3.26 H new ATOM 0 HD13 ILE A 90 -8.582 -8.013 -13.097 1.00 3.26 H new ATOM 1047 N LYS A 91 -4.098 -7.526 -10.698 1.00 1.32 N ATOM 1048 CA LYS A 91 -3.010 -6.778 -11.298 1.00 1.13 C ATOM 1049 C LYS A 91 -2.230 -6.076 -10.200 1.00 1.05 C ATOM 1050 O LYS A 91 -2.609 -6.138 -9.031 1.00 1.59 O ATOM 1051 CB LYS A 91 -3.548 -5.750 -12.293 1.00 1.58 C ATOM 1052 CG LYS A 91 -4.582 -6.315 -13.248 1.00 2.04 C ATOM 1053 CD LYS A 91 -5.127 -5.242 -14.177 1.00 2.66 C ATOM 1054 CE LYS A 91 -6.188 -5.802 -15.111 1.00 3.45 C ATOM 1055 NZ LYS A 91 -5.647 -6.882 -15.981 1.00 3.95 N ATOM 0 H LYS A 91 -4.547 -7.044 -9.919 1.00 1.32 H new ATOM 0 HA LYS A 91 -2.357 -7.465 -11.837 1.00 1.13 H new ATOM 0 HB2 LYS A 91 -3.989 -4.920 -11.742 1.00 1.58 H new ATOM 0 HB3 LYS A 91 -2.716 -5.344 -12.869 1.00 1.58 H new ATOM 0 HG2 LYS A 91 -4.135 -7.116 -13.838 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -5.401 -6.756 -12.680 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -5.552 -4.430 -13.587 1.00 2.66 H new ATOM 0 HD3 LYS A 91 -4.312 -4.818 -14.763 1.00 2.66 H new ATOM 0 HE2 LYS A 91 -7.020 -6.191 -14.524 1.00 3.45 H new ATOM 0 HE3 LYS A 91 -6.585 -4.999 -15.733 1.00 3.45 H new ATOM 0 HZ1 LYS A 91 -6.324 -7.085 -16.744 1.00 3.95 H new ATOM 0 HZ2 LYS A 91 -4.742 -6.576 -16.393 1.00 3.95 H new ATOM 0 HZ3 LYS A 91 -5.496 -7.741 -15.415 1.00 3.95 H new ATOM 1069 N GLN A 92 -1.163 -5.387 -10.569 1.00 0.75 N ATOM 1070 CA GLN A 92 -0.378 -4.660 -9.591 1.00 0.67 C ATOM 1071 C GLN A 92 -1.279 -3.630 -8.949 1.00 0.54 C ATOM 1072 O GLN A 92 -2.446 -3.539 -9.301 1.00 0.77 O ATOM 1073 CB GLN A 92 0.822 -3.966 -10.240 1.00 0.79 C ATOM 1074 CG GLN A 92 1.919 -4.909 -10.709 1.00 1.38 C ATOM 1075 CD GLN A 92 1.420 -5.973 -11.667 1.00 2.14 C ATOM 1076 OE1 GLN A 92 0.489 -5.744 -12.439 1.00 3.03 O ATOM 1077 NE2 GLN A 92 2.043 -7.144 -11.622 1.00 2.16 N ATOM 0 H GLN A 92 -0.825 -5.317 -11.529 1.00 0.75 H new ATOM 0 HA GLN A 92 0.011 -5.357 -8.849 1.00 0.67 H new ATOM 0 HB2 GLN A 92 0.472 -3.384 -11.093 1.00 0.79 H new ATOM 0 HB3 GLN A 92 1.247 -3.261 -9.526 1.00 0.79 H new ATOM 0 HG2 GLN A 92 2.704 -4.330 -11.195 1.00 1.38 H new ATOM 0 HG3 GLN A 92 2.370 -5.392 -9.842 1.00 1.38 H new ATOM 0 HE21 GLN A 92 2.810 -7.289 -10.966 1.00 2.16 H new ATOM 0 HE22 GLN A 92 1.755 -7.899 -12.244 1.00 2.16 H new ATOM 1086 N VAL A 93 -0.771 -2.896 -7.986 1.00 0.43 N ATOM 1087 CA VAL A 93 -1.578 -1.912 -7.291 1.00 0.44 C ATOM 1088 C VAL A 93 -1.145 -0.516 -7.727 1.00 0.75 C ATOM 1089 O VAL A 93 -0.127 -0.378 -8.389 1.00 1.27 O ATOM 1090 CB VAL A 93 -1.392 -2.094 -5.783 1.00 0.75 C ATOM 1091 CG1 VAL A 93 0.093 -2.121 -5.465 1.00 1.23 C ATOM 1092 CG2 VAL A 93 -2.116 -1.015 -4.994 1.00 1.73 C ATOM 0 H VAL A 93 0.195 -2.959 -7.664 1.00 0.43 H new ATOM 0 HA VAL A 93 -2.633 -2.041 -7.533 1.00 0.44 H new ATOM 0 HB VAL A 93 -1.836 -3.043 -5.482 1.00 0.75 H new ATOM 0 HG11 VAL A 93 0.233 -2.250 -4.392 1.00 1.23 H new ATOM 0 HG12 VAL A 93 0.564 -2.949 -5.995 1.00 1.23 H new ATOM 0 HG13 VAL A 93 0.550 -1.183 -5.780 1.00 1.23 H new ATOM 0 HG21 VAL A 93 -1.961 -1.178 -3.928 1.00 1.73 H new ATOM 0 HG22 VAL A 93 -1.725 -0.036 -5.272 1.00 1.73 H new ATOM 0 HG23 VAL A 93 -3.182 -1.056 -5.216 1.00 1.73 H new ATOM 1102 N VAL A 94 -1.929 0.512 -7.425 1.00 1.05 N ATOM 1103 CA VAL A 94 -1.585 1.853 -7.890 1.00 1.51 C ATOM 1104 C VAL A 94 -0.949 2.709 -6.812 1.00 1.18 C ATOM 1105 O VAL A 94 -1.544 2.999 -5.776 1.00 1.87 O ATOM 1106 CB VAL A 94 -2.819 2.586 -8.447 1.00 2.63 C ATOM 1107 CG1 VAL A 94 -3.871 2.763 -7.362 1.00 3.59 C ATOM 1108 CG2 VAL A 94 -2.421 3.929 -9.043 1.00 3.01 C ATOM 0 H VAL A 94 -2.786 0.449 -6.875 1.00 1.05 H new ATOM 0 HA VAL A 94 -0.851 1.708 -8.683 1.00 1.51 H new ATOM 0 HB VAL A 94 -3.251 1.978 -9.242 1.00 2.63 H new ATOM 0 HG11 VAL A 94 -4.735 3.283 -7.775 1.00 3.59 H new ATOM 0 HG12 VAL A 94 -4.179 1.785 -6.991 1.00 3.59 H new ATOM 0 HG13 VAL A 94 -3.453 3.347 -6.542 1.00 3.59 H new ATOM 0 HG21 VAL A 94 -3.307 4.432 -9.431 1.00 3.01 H new ATOM 0 HG22 VAL A 94 -1.962 4.547 -8.272 1.00 3.01 H new ATOM 0 HG23 VAL A 94 -1.709 3.771 -9.853 1.00 3.01 H new ATOM 1118 N PHE A 95 0.287 3.106 -7.096 1.00 0.67 N ATOM 1119 CA PHE A 95 1.079 3.925 -6.197 1.00 0.49 C ATOM 1120 C PHE A 95 0.339 5.157 -5.729 1.00 0.59 C ATOM 1121 O PHE A 95 0.317 6.173 -6.421 1.00 1.09 O ATOM 1122 CB PHE A 95 2.376 4.344 -6.867 1.00 0.90 C ATOM 1123 CG PHE A 95 2.199 5.070 -8.171 1.00 1.91 C ATOM 1124 CD1 PHE A 95 2.005 4.367 -9.348 1.00 2.38 C ATOM 1125 CD2 PHE A 95 2.240 6.454 -8.222 1.00 2.81 C ATOM 1126 CE1 PHE A 95 1.852 5.029 -10.551 1.00 3.55 C ATOM 1127 CE2 PHE A 95 2.087 7.122 -9.422 1.00 3.99 C ATOM 1128 CZ PHE A 95 1.892 6.409 -10.589 1.00 4.33 C ATOM 0 H PHE A 95 0.767 2.865 -7.963 1.00 0.67 H new ATOM 0 HA PHE A 95 1.290 3.311 -5.322 1.00 0.49 H new ATOM 0 HB2 PHE A 95 2.933 4.984 -6.183 1.00 0.90 H new ATOM 0 HB3 PHE A 95 2.984 3.456 -7.040 1.00 0.90 H new ATOM 0 HD1 PHE A 95 1.973 3.288 -9.325 1.00 2.38 H new ATOM 0 HD2 PHE A 95 2.393 7.017 -7.313 1.00 2.81 H new ATOM 0 HE1 PHE A 95 1.701 4.468 -11.461 1.00 3.55 H new ATOM 0 HE2 PHE A 95 2.120 8.201 -9.447 1.00 3.99 H new ATOM 0 HZ PHE A 95 1.771 6.929 -11.528 1.00 4.33 H new ATOM 1138 N ASP A 96 -0.232 5.055 -4.527 1.00 0.71 N ATOM 1139 CA ASP A 96 -0.972 6.152 -3.883 1.00 0.81 C ATOM 1140 C ASP A 96 -1.556 7.139 -4.909 1.00 0.85 C ATOM 1141 O ASP A 96 -1.978 6.727 -5.990 1.00 1.36 O ATOM 1142 CB ASP A 96 -0.038 6.864 -2.900 1.00 1.11 C ATOM 1143 CG ASP A 96 0.996 7.724 -3.603 1.00 1.67 C ATOM 1144 OD1 ASP A 96 1.867 7.159 -4.295 1.00 2.45 O ATOM 1145 OD2 ASP A 96 0.930 8.964 -3.462 1.00 1.69 O ATOM 0 H ASP A 96 -0.196 4.204 -3.966 1.00 0.71 H new ATOM 0 HA ASP A 96 -1.823 5.733 -3.346 1.00 0.81 H new ATOM 0 HB2 ASP A 96 -0.629 7.487 -2.228 1.00 1.11 H new ATOM 0 HB3 ASP A 96 0.469 6.122 -2.283 1.00 1.11 H new ATOM 1150 N ARG A 97 -1.554 8.435 -4.599 1.00 0.97 N ATOM 1151 CA ARG A 97 -2.051 9.424 -5.540 1.00 1.31 C ATOM 1152 C ARG A 97 -0.884 10.014 -6.334 1.00 1.52 C ATOM 1153 O ARG A 97 -0.991 11.100 -6.901 1.00 1.99 O ATOM 1154 CB ARG A 97 -2.818 10.530 -4.813 1.00 1.45 C ATOM 1155 CG ARG A 97 -1.965 11.345 -3.856 1.00 1.62 C ATOM 1156 CD ARG A 97 -2.794 12.393 -3.132 1.00 1.98 C ATOM 1157 NE ARG A 97 -1.978 13.249 -2.275 1.00 2.55 N ATOM 1158 CZ ARG A 97 -2.404 14.401 -1.768 1.00 3.26 C ATOM 1159 NH1 ARG A 97 -3.631 14.830 -2.031 1.00 3.49 N ATOM 1160 NH2 ARG A 97 -1.604 15.127 -0.999 1.00 4.10 N ATOM 0 H ARG A 97 -1.218 8.816 -3.715 1.00 0.97 H new ATOM 0 HA ARG A 97 -2.740 8.936 -6.229 1.00 1.31 H new ATOM 0 HB2 ARG A 97 -3.258 11.200 -5.552 1.00 1.45 H new ATOM 0 HB3 ARG A 97 -3.642 10.082 -4.258 1.00 1.45 H new ATOM 0 HG2 ARG A 97 -1.497 10.682 -3.128 1.00 1.62 H new ATOM 0 HG3 ARG A 97 -1.161 11.832 -4.407 1.00 1.62 H new ATOM 0 HD2 ARG A 97 -3.318 13.008 -3.864 1.00 1.98 H new ATOM 0 HD3 ARG A 97 -3.555 11.898 -2.529 1.00 1.98 H new ATOM 0 HE ARG A 97 -1.030 12.946 -2.054 1.00 2.55 H new ATOM 0 HH11 ARG A 97 -4.249 14.275 -2.623 1.00 3.49 H new ATOM 0 HH12 ARG A 97 -3.957 15.715 -1.641 1.00 3.49 H new ATOM 0 HH21 ARG A 97 -0.659 14.802 -0.795 1.00 4.10 H new ATOM 0 HH22 ARG A 97 -1.934 16.011 -0.611 1.00 4.10 H new ATOM 1174 N GLY A 98 0.235 9.279 -6.371 1.00 1.57 N ATOM 1175 CA GLY A 98 1.408 9.732 -7.098 1.00 1.94 C ATOM 1176 C GLY A 98 2.513 10.242 -6.186 1.00 1.60 C ATOM 1177 O GLY A 98 2.563 11.432 -5.876 1.00 2.16 O ATOM 0 H GLY A 98 0.344 8.377 -5.907 1.00 1.57 H new ATOM 0 HA2 GLY A 98 1.793 8.911 -7.702 1.00 1.94 H new ATOM 0 HA3 GLY A 98 1.118 10.526 -7.787 1.00 1.94 H new ATOM 1181 N GLY A 99 3.411 9.347 -5.762 1.00 1.23 N ATOM 1182 CA GLY A 99 4.504 9.757 -4.897 1.00 1.25 C ATOM 1183 C GLY A 99 5.236 10.972 -5.446 1.00 1.56 C ATOM 1184 O GLY A 99 5.170 12.052 -4.860 1.00 2.33 O ATOM 0 H GLY A 99 3.399 8.356 -6.001 1.00 1.23 H new ATOM 0 HA2 GLY A 99 4.116 9.985 -3.904 1.00 1.25 H new ATOM 0 HA3 GLY A 99 5.206 8.931 -4.783 1.00 1.25 H new ATOM 1188 N TYR A 100 5.914 10.806 -6.587 1.00 1.47 N ATOM 1189 CA TYR A 100 6.636 11.916 -7.216 1.00 1.80 C ATOM 1190 C TYR A 100 7.342 11.476 -8.497 1.00 1.69 C ATOM 1191 O TYR A 100 8.562 11.583 -8.603 1.00 2.19 O ATOM 1192 CB TYR A 100 7.649 12.526 -6.239 1.00 2.04 C ATOM 1193 CG TYR A 100 8.797 11.619 -5.829 1.00 1.95 C ATOM 1194 CD1 TYR A 100 8.935 10.317 -6.315 1.00 2.11 C ATOM 1195 CD2 TYR A 100 9.762 12.087 -4.948 1.00 2.40 C ATOM 1196 CE1 TYR A 100 9.996 9.526 -5.934 1.00 2.30 C ATOM 1197 CE2 TYR A 100 10.823 11.296 -4.562 1.00 2.59 C ATOM 1198 CZ TYR A 100 10.937 10.019 -5.060 1.00 2.40 C ATOM 1199 OH TYR A 100 11.987 9.226 -4.673 1.00 2.76 O ATOM 0 H TYR A 100 5.978 9.921 -7.090 1.00 1.47 H new ATOM 0 HA TYR A 100 5.899 12.674 -7.482 1.00 1.80 H new ATOM 0 HB2 TYR A 100 8.065 13.426 -6.691 1.00 2.04 H new ATOM 0 HB3 TYR A 100 7.117 12.837 -5.340 1.00 2.04 H new ATOM 0 HD1 TYR A 100 8.198 9.924 -7.000 1.00 2.11 H new ATOM 0 HD2 TYR A 100 9.680 13.090 -4.557 1.00 2.40 H new ATOM 0 HE1 TYR A 100 10.089 8.522 -6.320 1.00 2.30 H new ATOM 0 HE2 TYR A 100 11.561 11.677 -3.872 1.00 2.59 H new ATOM 0 HH TYR A 100 11.738 8.283 -4.771 1.00 2.76 H new ATOM 1209 N LEU A 101 6.573 10.965 -9.459 1.00 1.42 N ATOM 1210 CA LEU A 101 7.128 10.484 -10.726 1.00 1.38 C ATOM 1211 C LEU A 101 7.961 9.220 -10.497 1.00 1.16 C ATOM 1212 O LEU A 101 7.620 8.162 -11.021 1.00 1.18 O ATOM 1213 CB LEU A 101 7.959 11.581 -11.408 1.00 1.57 C ATOM 1214 CG LEU A 101 8.964 11.095 -12.456 1.00 1.80 C ATOM 1215 CD1 LEU A 101 8.253 10.354 -13.577 1.00 2.20 C ATOM 1216 CD2 LEU A 101 9.766 12.263 -13.012 1.00 2.28 C ATOM 0 H LEU A 101 5.560 10.873 -9.385 1.00 1.42 H new ATOM 0 HA LEU A 101 6.303 10.231 -11.392 1.00 1.38 H new ATOM 0 HB2 LEU A 101 7.277 12.285 -11.884 1.00 1.57 H new ATOM 0 HB3 LEU A 101 8.501 12.132 -10.639 1.00 1.57 H new ATOM 0 HG LEU A 101 9.655 10.404 -11.972 1.00 1.80 H new ATOM 0 HD11 LEU A 101 8.984 10.017 -14.311 1.00 2.20 H new ATOM 0 HD12 LEU A 101 7.727 9.492 -13.167 1.00 2.20 H new ATOM 0 HD13 LEU A 101 7.537 11.021 -14.058 1.00 2.20 H new ATOM 0 HD21 LEU A 101 10.475 11.897 -13.755 1.00 2.28 H new ATOM 0 HD22 LEU A 101 9.090 12.980 -13.478 1.00 2.28 H new ATOM 0 HD23 LEU A 101 10.309 12.750 -12.202 1.00 2.28 H new ATOM 1228 N TYR A 102 9.036 9.363 -9.698 1.00 1.11 N ATOM 1229 CA TYR A 102 9.966 8.277 -9.322 1.00 0.96 C ATOM 1230 C TYR A 102 11.389 8.617 -9.717 1.00 1.03 C ATOM 1231 O TYR A 102 11.637 9.679 -10.284 1.00 1.54 O ATOM 1232 CB TYR A 102 9.575 6.899 -9.881 1.00 0.93 C ATOM 1233 CG TYR A 102 8.327 6.323 -9.257 1.00 0.90 C ATOM 1234 CD1 TYR A 102 7.619 7.025 -8.291 1.00 0.95 C ATOM 1235 CD2 TYR A 102 7.860 5.076 -9.636 1.00 0.93 C ATOM 1236 CE1 TYR A 102 6.481 6.501 -7.723 1.00 1.05 C ATOM 1237 CE2 TYR A 102 6.722 4.542 -9.071 1.00 1.01 C ATOM 1238 CZ TYR A 102 6.036 5.260 -8.116 1.00 1.06 C ATOM 1239 OH TYR A 102 4.899 4.740 -7.558 1.00 1.25 O ATOM 0 H TYR A 102 9.290 10.260 -9.285 1.00 1.11 H new ATOM 0 HA TYR A 102 9.897 8.200 -8.237 1.00 0.96 H new ATOM 0 HB2 TYR A 102 9.427 6.982 -10.958 1.00 0.93 H new ATOM 0 HB3 TYR A 102 10.402 6.206 -9.725 1.00 0.93 H new ATOM 0 HD1 TYR A 102 7.968 7.999 -7.980 1.00 0.95 H new ATOM 0 HD2 TYR A 102 8.396 4.513 -10.386 1.00 0.93 H new ATOM 0 HE1 TYR A 102 5.941 7.060 -6.974 1.00 1.05 H new ATOM 0 HE2 TYR A 102 6.370 3.567 -9.375 1.00 1.01 H new ATOM 0 HH TYR A 102 4.150 4.850 -8.180 1.00 1.25 H new ATOM 1249 N HIS A 103 12.308 7.699 -9.374 1.00 0.77 N ATOM 1250 CA HIS A 103 13.755 7.824 -9.628 1.00 0.89 C ATOM 1251 C HIS A 103 14.500 7.970 -8.302 1.00 0.87 C ATOM 1252 O HIS A 103 15.682 7.644 -8.204 1.00 1.36 O ATOM 1253 CB HIS A 103 14.105 9.000 -10.547 1.00 1.19 C ATOM 1254 CG HIS A 103 15.572 9.133 -10.818 1.00 1.63 C ATOM 1255 ND1 HIS A 103 16.584 9.563 -10.026 1.00 2.23 N flip ATOM 1256 CD2 HIS A 103 16.148 8.803 -12.027 1.00 2.09 C flip ATOM 1257 CE1 HIS A 103 17.738 9.485 -10.765 1.00 2.54 C flip ATOM 1258 NE2 HIS A 103 17.450 9.023 -11.967 1.00 2.39 N flip ATOM 0 H HIS A 103 12.061 6.829 -8.902 1.00 0.77 H new ATOM 0 HA HIS A 103 14.065 6.915 -10.143 1.00 0.89 H new ATOM 0 HB2 HIS A 103 13.579 8.880 -11.494 1.00 1.19 H new ATOM 0 HB3 HIS A 103 13.742 9.923 -10.096 1.00 1.19 H new ATOM 0 HD2 HIS A 103 15.618 8.424 -12.888 1.00 2.09 H new ATOM 0 HE1 HIS A 103 18.724 9.758 -10.418 1.00 2.54 H new ATOM 0 HE2 HIS A 103 18.118 8.863 -12.721 1.00 2.39 H new ATOM 1267 N GLY A 104 13.792 8.452 -7.280 1.00 0.90 N ATOM 1268 CA GLY A 104 14.393 8.620 -5.970 1.00 0.97 C ATOM 1269 C GLY A 104 14.176 7.414 -5.067 1.00 0.93 C ATOM 1270 O GLY A 104 14.406 6.278 -5.478 1.00 1.07 O ATOM 0 H GLY A 104 12.812 8.729 -7.339 1.00 0.90 H new ATOM 0 HA2 GLY A 104 15.463 8.795 -6.085 1.00 0.97 H new ATOM 0 HA3 GLY A 104 13.974 9.506 -5.493 1.00 0.97 H new ATOM 1274 N ARG A 105 13.755 7.664 -3.826 1.00 0.88 N ATOM 1275 CA ARG A 105 13.537 6.592 -2.855 1.00 0.90 C ATOM 1276 C ARG A 105 12.094 6.059 -2.847 1.00 0.73 C ATOM 1277 O ARG A 105 11.874 4.862 -3.032 1.00 0.92 O ATOM 1278 CB ARG A 105 13.913 7.076 -1.453 1.00 1.06 C ATOM 1279 CG ARG A 105 15.386 7.428 -1.295 1.00 1.51 C ATOM 1280 CD ARG A 105 15.757 8.676 -2.081 1.00 1.92 C ATOM 1281 NE ARG A 105 17.072 9.190 -1.703 1.00 2.44 N ATOM 1282 CZ ARG A 105 18.214 8.796 -2.261 1.00 3.16 C ATOM 1283 NH1 ARG A 105 18.216 7.862 -3.206 1.00 3.59 N ATOM 1284 NH2 ARG A 105 19.361 9.332 -1.868 1.00 3.76 N ATOM 0 H ARG A 105 13.558 8.600 -3.470 1.00 0.88 H new ATOM 0 HA ARG A 105 14.177 5.764 -3.159 1.00 0.90 H new ATOM 0 HB2 ARG A 105 13.312 7.952 -1.209 1.00 1.06 H new ATOM 0 HB3 ARG A 105 13.655 6.301 -0.731 1.00 1.06 H new ATOM 0 HG2 ARG A 105 15.611 7.583 -0.240 1.00 1.51 H new ATOM 0 HG3 ARG A 105 15.998 6.591 -1.632 1.00 1.51 H new ATOM 0 HD2 ARG A 105 15.749 8.449 -3.147 1.00 1.92 H new ATOM 0 HD3 ARG A 105 15.005 9.447 -1.914 1.00 1.92 H new ATOM 0 HE ARG A 105 17.117 9.894 -0.966 1.00 2.44 H new ATOM 0 HH11 ARG A 105 17.338 7.441 -3.509 1.00 3.59 H new ATOM 0 HH12 ARG A 105 19.096 7.566 -3.628 1.00 3.59 H new ATOM 0 HH21 ARG A 105 19.367 10.045 -1.139 1.00 3.76 H new ATOM 0 HH22 ARG A 105 20.237 9.031 -2.295 1.00 3.76 H new ATOM 1298 N VAL A 106 11.120 6.937 -2.595 1.00 0.59 N ATOM 1299 CA VAL A 106 9.711 6.521 -2.523 1.00 0.62 C ATOM 1300 C VAL A 106 9.332 5.621 -3.703 1.00 0.67 C ATOM 1301 O VAL A 106 8.456 4.744 -3.598 1.00 0.70 O ATOM 1302 CB VAL A 106 8.750 7.748 -2.432 1.00 0.79 C ATOM 1303 CG1 VAL A 106 9.322 8.803 -1.500 1.00 1.42 C ATOM 1304 CG2 VAL A 106 8.449 8.362 -3.794 1.00 1.76 C ATOM 0 H VAL A 106 11.275 7.933 -2.438 1.00 0.59 H new ATOM 0 HA VAL A 106 9.597 5.942 -1.607 1.00 0.62 H new ATOM 0 HB VAL A 106 7.807 7.378 -2.030 1.00 0.79 H new ATOM 0 HG11 VAL A 106 8.639 9.651 -1.448 1.00 1.42 H new ATOM 0 HG12 VAL A 106 9.449 8.378 -0.504 1.00 1.42 H new ATOM 0 HG13 VAL A 106 10.288 9.137 -1.878 1.00 1.42 H new ATOM 0 HG21 VAL A 106 7.776 9.211 -3.670 1.00 1.76 H new ATOM 0 HG22 VAL A 106 9.378 8.699 -4.254 1.00 1.76 H new ATOM 0 HG23 VAL A 106 7.977 7.616 -4.433 1.00 1.76 H new ATOM 1314 N LYS A 107 9.994 5.848 -4.828 1.00 0.76 N ATOM 1315 CA LYS A 107 9.737 5.079 -6.024 1.00 0.89 C ATOM 1316 C LYS A 107 9.926 3.595 -5.775 1.00 0.75 C ATOM 1317 O LYS A 107 9.055 2.812 -6.080 1.00 0.76 O ATOM 1318 CB LYS A 107 10.642 5.537 -7.162 1.00 1.17 C ATOM 1319 CG LYS A 107 12.058 5.867 -6.724 1.00 1.89 C ATOM 1320 CD LYS A 107 13.089 5.136 -7.568 1.00 2.96 C ATOM 1321 CE LYS A 107 13.367 3.738 -7.032 1.00 3.87 C ATOM 1322 NZ LYS A 107 14.390 3.025 -7.847 1.00 4.87 N ATOM 0 H LYS A 107 10.715 6.562 -4.932 1.00 0.76 H new ATOM 0 HA LYS A 107 8.698 5.248 -6.308 1.00 0.89 H new ATOM 0 HB2 LYS A 107 10.679 4.756 -7.921 1.00 1.17 H new ATOM 0 HB3 LYS A 107 10.203 6.417 -7.632 1.00 1.17 H new ATOM 0 HG2 LYS A 107 12.222 6.942 -6.799 1.00 1.89 H new ATOM 0 HG3 LYS A 107 12.188 5.597 -5.676 1.00 1.89 H new ATOM 0 HD2 LYS A 107 12.735 5.068 -8.597 1.00 2.96 H new ATOM 0 HD3 LYS A 107 14.016 5.709 -7.587 1.00 2.96 H new ATOM 0 HE2 LYS A 107 13.709 3.806 -5.999 1.00 3.87 H new ATOM 0 HE3 LYS A 107 12.442 3.161 -7.024 1.00 3.87 H new ATOM 0 HZ1 LYS A 107 14.551 2.077 -7.450 1.00 4.87 H new ATOM 0 HZ2 LYS A 107 14.053 2.937 -8.827 1.00 4.87 H new ATOM 0 HZ3 LYS A 107 15.281 3.562 -7.834 1.00 4.87 H new ATOM 1336 N ALA A 108 11.066 3.208 -5.224 1.00 0.77 N ATOM 1337 CA ALA A 108 11.339 1.799 -4.958 1.00 0.73 C ATOM 1338 C ALA A 108 10.141 1.086 -4.328 1.00 0.63 C ATOM 1339 O ALA A 108 9.870 -0.075 -4.635 1.00 0.68 O ATOM 1340 CB ALA A 108 12.562 1.665 -4.067 1.00 0.85 C ATOM 0 H ALA A 108 11.816 3.844 -4.952 1.00 0.77 H new ATOM 0 HA ALA A 108 11.533 1.316 -5.916 1.00 0.73 H new ATOM 0 HB1 ALA A 108 12.758 0.610 -3.874 1.00 0.85 H new ATOM 0 HB2 ALA A 108 13.425 2.109 -4.564 1.00 0.85 H new ATOM 0 HB3 ALA A 108 12.382 2.179 -3.123 1.00 0.85 H new ATOM 1346 N LEU A 109 9.430 1.783 -3.449 1.00 0.70 N ATOM 1347 CA LEU A 109 8.269 1.203 -2.781 1.00 0.80 C ATOM 1348 C LEU A 109 7.218 0.758 -3.797 1.00 0.66 C ATOM 1349 O LEU A 109 6.911 -0.431 -3.918 1.00 0.76 O ATOM 1350 CB LEU A 109 7.649 2.218 -1.819 1.00 1.05 C ATOM 1351 CG LEU A 109 8.641 2.963 -0.922 1.00 1.76 C ATOM 1352 CD1 LEU A 109 7.902 3.908 0.014 1.00 2.64 C ATOM 1353 CD2 LEU A 109 9.493 1.981 -0.132 1.00 2.27 C ATOM 0 H LEU A 109 9.635 2.746 -3.183 1.00 0.70 H new ATOM 0 HA LEU A 109 8.606 0.331 -2.221 1.00 0.80 H new ATOM 0 HB2 LEU A 109 7.090 2.951 -2.401 1.00 1.05 H new ATOM 0 HB3 LEU A 109 6.930 1.700 -1.185 1.00 1.05 H new ATOM 0 HG LEU A 109 9.303 3.553 -1.555 1.00 1.76 H new ATOM 0 HD11 LEU A 109 8.621 4.430 0.645 1.00 2.64 H new ATOM 0 HD12 LEU A 109 7.339 4.634 -0.572 1.00 2.64 H new ATOM 0 HD13 LEU A 109 7.216 3.337 0.640 1.00 2.64 H new ATOM 0 HD21 LEU A 109 10.191 2.531 0.499 1.00 2.27 H new ATOM 0 HD22 LEU A 109 8.849 1.362 0.493 1.00 2.27 H new ATOM 0 HD23 LEU A 109 10.050 1.346 -0.821 1.00 2.27 H new ATOM 1365 N ALA A 110 6.673 1.717 -4.534 1.00 0.56 N ATOM 1366 CA ALA A 110 5.656 1.404 -5.541 1.00 0.60 C ATOM 1367 C ALA A 110 6.292 0.763 -6.776 1.00 0.59 C ATOM 1368 O ALA A 110 5.672 -0.041 -7.471 1.00 0.70 O ATOM 1369 CB ALA A 110 4.894 2.660 -5.918 1.00 0.79 C ATOM 0 H ALA A 110 6.911 2.706 -4.459 1.00 0.56 H new ATOM 0 HA ALA A 110 4.955 0.686 -5.116 1.00 0.60 H new ATOM 0 HB1 ALA A 110 4.140 2.417 -6.667 1.00 0.79 H new ATOM 0 HB2 ALA A 110 4.407 3.070 -5.033 1.00 0.79 H new ATOM 0 HB3 ALA A 110 5.586 3.397 -6.325 1.00 0.79 H new ATOM 1375 N ASP A 111 7.542 1.133 -7.020 1.00 0.57 N ATOM 1376 CA ASP A 111 8.335 0.639 -8.135 1.00 0.59 C ATOM 1377 C ASP A 111 8.178 -0.863 -8.286 1.00 0.55 C ATOM 1378 O ASP A 111 7.947 -1.361 -9.380 1.00 0.56 O ATOM 1379 CB ASP A 111 9.811 0.979 -7.924 1.00 0.78 C ATOM 1380 CG ASP A 111 10.700 0.406 -9.011 1.00 0.84 C ATOM 1381 OD1 ASP A 111 10.911 1.097 -10.030 1.00 0.88 O ATOM 1382 OD2 ASP A 111 11.184 -0.733 -8.843 1.00 0.94 O ATOM 0 H ASP A 111 8.043 1.800 -6.434 1.00 0.57 H new ATOM 0 HA ASP A 111 7.977 1.122 -9.044 1.00 0.59 H new ATOM 0 HB2 ASP A 111 9.930 2.062 -7.895 1.00 0.78 H new ATOM 0 HB3 ASP A 111 10.134 0.596 -6.956 1.00 0.78 H new ATOM 1387 N ALA A 112 8.287 -1.591 -7.175 1.00 0.61 N ATOM 1388 CA ALA A 112 8.133 -3.043 -7.209 1.00 0.70 C ATOM 1389 C ALA A 112 6.902 -3.406 -8.031 1.00 0.67 C ATOM 1390 O ALA A 112 6.975 -4.176 -8.994 1.00 0.75 O ATOM 1391 CB ALA A 112 8.016 -3.595 -5.796 1.00 0.82 C ATOM 0 H ALA A 112 8.479 -1.204 -6.251 1.00 0.61 H new ATOM 0 HA ALA A 112 9.013 -3.487 -7.675 1.00 0.70 H new ATOM 0 HB1 ALA A 112 7.902 -4.678 -5.837 1.00 0.82 H new ATOM 0 HB2 ALA A 112 8.915 -3.346 -5.232 1.00 0.82 H new ATOM 0 HB3 ALA A 112 7.147 -3.157 -5.305 1.00 0.82 H new ATOM 1397 N ALA A 113 5.783 -2.797 -7.664 1.00 0.64 N ATOM 1398 CA ALA A 113 4.532 -3.003 -8.374 1.00 0.72 C ATOM 1399 C ALA A 113 4.518 -2.212 -9.678 1.00 0.67 C ATOM 1400 O ALA A 113 3.811 -2.563 -10.622 1.00 0.86 O ATOM 1401 CB ALA A 113 3.360 -2.581 -7.501 1.00 0.77 C ATOM 0 H ALA A 113 5.718 -2.154 -6.875 1.00 0.64 H new ATOM 0 HA ALA A 113 4.440 -4.063 -8.609 1.00 0.72 H new ATOM 0 HB1 ALA A 113 2.427 -2.739 -8.042 1.00 0.77 H new ATOM 0 HB2 ALA A 113 3.354 -3.175 -6.587 1.00 0.77 H new ATOM 0 HB3 ALA A 113 3.457 -1.526 -7.247 1.00 0.77 H new ATOM 1407 N ARG A 114 5.288 -1.125 -9.720 1.00 0.57 N ATOM 1408 CA ARG A 114 5.325 -0.284 -10.907 1.00 0.62 C ATOM 1409 C ARG A 114 6.127 -0.920 -12.037 1.00 0.65 C ATOM 1410 O ARG A 114 5.591 -1.197 -13.110 1.00 0.75 O ATOM 1411 CB ARG A 114 5.873 1.099 -10.581 1.00 0.69 C ATOM 1412 CG ARG A 114 5.399 2.178 -11.546 1.00 1.00 C ATOM 1413 CD ARG A 114 6.047 2.042 -12.913 1.00 1.56 C ATOM 1414 NE ARG A 114 5.636 3.115 -13.816 1.00 1.95 N ATOM 1415 CZ ARG A 114 6.239 3.380 -14.970 1.00 2.59 C ATOM 1416 NH1 ARG A 114 7.276 2.653 -15.364 1.00 3.23 N ATOM 1417 NH2 ARG A 114 5.804 4.374 -15.733 1.00 3.01 N ATOM 0 H ARG A 114 5.886 -0.812 -8.955 1.00 0.57 H new ATOM 0 HA ARG A 114 4.296 -0.180 -11.252 1.00 0.62 H new ATOM 0 HB2 ARG A 114 5.575 1.371 -9.568 1.00 0.69 H new ATOM 0 HB3 ARG A 114 6.962 1.063 -10.594 1.00 0.69 H new ATOM 0 HG2 ARG A 114 4.316 2.120 -11.651 1.00 1.00 H new ATOM 0 HG3 ARG A 114 5.627 3.160 -11.132 1.00 1.00 H new ATOM 0 HD2 ARG A 114 7.131 2.054 -12.804 1.00 1.56 H new ATOM 0 HD3 ARG A 114 5.780 1.079 -13.348 1.00 1.56 H new ATOM 0 HE ARG A 114 4.841 3.694 -13.545 1.00 1.95 H new ATOM 0 HH11 ARG A 114 7.613 1.887 -14.780 1.00 3.23 H new ATOM 0 HH12 ARG A 114 7.736 2.860 -16.251 1.00 3.23 H new ATOM 0 HH21 ARG A 114 5.006 4.935 -15.434 1.00 3.01 H new ATOM 0 HH22 ARG A 114 6.267 4.577 -16.619 1.00 3.01 H new ATOM 1431 N GLU A 115 7.407 -1.152 -11.790 1.00 0.63 N ATOM 1432 CA GLU A 115 8.279 -1.758 -12.782 1.00 0.71 C ATOM 1433 C GLU A 115 7.678 -3.056 -13.300 1.00 0.85 C ATOM 1434 O GLU A 115 7.686 -3.318 -14.503 1.00 1.02 O ATOM 1435 CB GLU A 115 9.661 -2.021 -12.182 1.00 0.67 C ATOM 1436 CG GLU A 115 10.685 -2.495 -13.197 1.00 1.21 C ATOM 1437 CD GLU A 115 12.061 -2.680 -12.590 1.00 1.83 C ATOM 1438 OE1 GLU A 115 12.321 -3.765 -12.027 1.00 2.59 O ATOM 1439 OE2 GLU A 115 12.879 -1.740 -12.673 1.00 1.97 O ATOM 0 H GLU A 115 7.866 -0.928 -10.907 1.00 0.63 H new ATOM 0 HA GLU A 115 8.383 -1.066 -13.618 1.00 0.71 H new ATOM 0 HB2 GLU A 115 10.024 -1.107 -11.712 1.00 0.67 H new ATOM 0 HB3 GLU A 115 9.569 -2.769 -11.395 1.00 0.67 H new ATOM 0 HG2 GLU A 115 10.353 -3.438 -13.630 1.00 1.21 H new ATOM 0 HG3 GLU A 115 10.745 -1.774 -14.012 1.00 1.21 H new ATOM 1446 N ALA A 116 7.150 -3.869 -12.388 1.00 0.84 N ATOM 1447 CA ALA A 116 6.543 -5.137 -12.771 1.00 1.03 C ATOM 1448 C ALA A 116 5.360 -4.914 -13.700 1.00 1.11 C ATOM 1449 O ALA A 116 5.110 -5.708 -14.608 1.00 1.28 O ATOM 1450 CB ALA A 116 6.118 -5.920 -11.538 1.00 1.08 C ATOM 0 H ALA A 116 7.131 -3.673 -11.387 1.00 0.84 H new ATOM 0 HA ALA A 116 7.289 -5.722 -13.309 1.00 1.03 H new ATOM 0 HB1 ALA A 116 5.667 -6.864 -11.844 1.00 1.08 H new ATOM 0 HB2 ALA A 116 6.990 -6.120 -10.915 1.00 1.08 H new ATOM 0 HB3 ALA A 116 5.392 -5.338 -10.970 1.00 1.08 H new ATOM 1456 N GLY A 117 4.637 -3.829 -13.468 1.00 1.01 N ATOM 1457 CA GLY A 117 3.488 -3.510 -14.288 1.00 1.09 C ATOM 1458 C GLY A 117 2.397 -2.868 -13.474 1.00 0.98 C ATOM 1459 O GLY A 117 1.509 -3.546 -12.965 1.00 1.07 O ATOM 0 H GLY A 117 4.827 -3.160 -12.722 1.00 1.01 H new ATOM 0 HA2 GLY A 117 3.788 -2.838 -15.092 1.00 1.09 H new ATOM 0 HA3 GLY A 117 3.109 -4.419 -14.756 1.00 1.09 H new ATOM 1463 N LEU A 118 2.497 -1.559 -13.320 1.00 0.99 N ATOM 1464 CA LEU A 118 1.546 -0.804 -12.512 1.00 1.08 C ATOM 1465 C LEU A 118 0.170 -0.665 -13.157 1.00 0.96 C ATOM 1466 O LEU A 118 -0.049 0.195 -14.011 1.00 1.25 O ATOM 1467 CB LEU A 118 2.100 0.591 -12.228 1.00 1.61 C ATOM 1468 CG LEU A 118 1.817 1.147 -10.827 1.00 2.05 C ATOM 1469 CD1 LEU A 118 0.384 1.638 -10.744 1.00 2.65 C ATOM 1470 CD2 LEU A 118 2.090 0.107 -9.738 1.00 2.48 C ATOM 0 H LEU A 118 3.230 -0.992 -13.745 1.00 0.99 H new ATOM 0 HA LEU A 118 1.414 -1.371 -11.591 1.00 1.08 H new ATOM 0 HB2 LEU A 118 3.179 0.571 -12.380 1.00 1.61 H new ATOM 0 HB3 LEU A 118 1.688 1.282 -12.963 1.00 1.61 H new ATOM 0 HG LEU A 118 2.494 1.984 -10.656 1.00 2.05 H new ATOM 0 HD11 LEU A 118 0.191 2.031 -9.746 1.00 2.65 H new ATOM 0 HD12 LEU A 118 0.226 2.425 -11.481 1.00 2.65 H new ATOM 0 HD13 LEU A 118 -0.296 0.811 -10.946 1.00 2.65 H new ATOM 0 HD21 LEU A 118 1.878 0.540 -8.760 1.00 2.48 H new ATOM 0 HD22 LEU A 118 1.452 -0.762 -9.897 1.00 2.48 H new ATOM 0 HD23 LEU A 118 3.136 -0.198 -9.780 1.00 2.48 H new ATOM 1482 N GLU A 119 -0.765 -1.487 -12.695 1.00 0.73 N ATOM 1483 CA GLU A 119 -2.140 -1.444 -13.163 1.00 0.78 C ATOM 1484 C GLU A 119 -3.088 -1.615 -11.979 1.00 0.72 C ATOM 1485 O GLU A 119 -3.169 -2.697 -11.409 1.00 0.66 O ATOM 1486 CB GLU A 119 -2.392 -2.549 -14.191 1.00 0.84 C ATOM 1487 CG GLU A 119 -1.387 -2.561 -15.326 1.00 1.48 C ATOM 1488 CD GLU A 119 -1.649 -3.671 -16.326 1.00 2.17 C ATOM 1489 OE1 GLU A 119 -2.460 -3.459 -17.252 1.00 2.56 O ATOM 1490 OE2 GLU A 119 -1.045 -4.755 -16.180 1.00 2.85 O ATOM 0 H GLU A 119 -0.589 -2.200 -11.987 1.00 0.73 H new ATOM 0 HA GLU A 119 -2.319 -0.480 -13.639 1.00 0.78 H new ATOM 0 HB2 GLU A 119 -2.370 -3.515 -13.687 1.00 0.84 H new ATOM 0 HB3 GLU A 119 -3.393 -2.428 -14.604 1.00 0.84 H new ATOM 0 HG2 GLU A 119 -1.414 -1.600 -15.840 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -0.383 -2.676 -14.916 1.00 1.48 H new ATOM 1497 N PHE A 120 -3.808 -0.557 -11.617 1.00 0.85 N ATOM 1498 CA PHE A 120 -4.749 -0.623 -10.498 1.00 0.91 C ATOM 1499 C PHE A 120 -5.306 0.755 -10.161 1.00 1.15 C ATOM 1500 O PHE A 120 -6.176 0.838 -9.268 1.00 1.57 O ATOM 1501 CB PHE A 120 -4.096 -1.239 -9.267 1.00 0.78 C ATOM 1502 CG PHE A 120 -4.797 -2.476 -8.775 1.00 1.08 C ATOM 1503 CD1 PHE A 120 -5.270 -3.424 -9.673 1.00 1.42 C ATOM 1504 CD2 PHE A 120 -4.965 -2.700 -7.418 1.00 1.53 C ATOM 1505 CE1 PHE A 120 -5.900 -4.570 -9.223 1.00 1.77 C ATOM 1506 CE2 PHE A 120 -5.596 -3.843 -6.965 1.00 1.97 C ATOM 1507 CZ PHE A 120 -6.064 -4.779 -7.867 1.00 1.95 C ATOM 1508 OXT PHE A 120 -4.865 1.740 -10.789 1.00 1.71 O ATOM 0 H PHE A 120 -3.760 0.352 -12.077 1.00 0.85 H new ATOM 0 HA PHE A 120 -5.576 -1.261 -10.808 1.00 0.91 H new ATOM 0 HB2 PHE A 120 -3.060 -1.486 -9.499 1.00 0.78 H new ATOM 0 HB3 PHE A 120 -4.076 -0.499 -8.467 1.00 0.78 H new ATOM 0 HD1 PHE A 120 -5.145 -3.265 -10.734 1.00 1.42 H new ATOM 0 HD2 PHE A 120 -4.599 -1.974 -6.707 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -6.263 -5.301 -9.931 1.00 1.77 H new ATOM 0 HE2 PHE A 120 -5.723 -4.005 -5.905 1.00 1.97 H new ATOM 0 HZ PHE A 120 -6.557 -5.672 -7.513 1.00 1.95 H new