USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1067 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 85 GLN : amide:sc= 0.0782 X(o=0.16,f=-0.013) USER MOD Set 1.2: A 161 CYS SG : rot -46:sc= 0.0832 USER MOD Set 2.1: A 93 HIS : no HE2:sc= -2.43 K(o=-4.7,f=-6.7!) USER MOD Set 2.2: A 129 HIS :FLIP no HD1:sc= -2.32 F(o=-7.4!,f=-4.7) USER MOD Set 3.1: A 56 THR OG1 : rot 180:sc= -0.238 USER MOD Set 3.2: A 74 ASN : amide:sc= -0.199 K(o=-0.44,f=-1.1) USER MOD Set 4.1: A 40 TYR OH : rot 180:sc= -1.74! USER MOD Set 4.2: A 77 MET CE :methyl -119:sc= -1.11 (180deg=-1.64) USER MOD Set 5.1: A 36 HIS : no HD1:sc= -0.384 X(o=-0.41,f=-0.31) USER MOD Set 5.2: A 38 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.324 F(o=-1.2,f=-0.32) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 178:sc= -0.165 (180deg=-0.179) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc=-0.00177 (180deg=-0.145) USER MOD Single : A 20 ASN : amide:sc= 0.0558 K(o=0.056,f=-10!) USER MOD Single : A 26 THR OG1 : rot -90:sc= 1.63 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= -0.787 X(o=-0.79,f=-1.1) USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 41 MET CE :methyl -164:sc= -0.0791 (180deg=-0.458) USER MOD Single : A 43 ASN : amide:sc= -0.492 K(o=-0.49,f=-5.4!) USER MOD Single : A 45 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.23!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0195 F(o=-0.87,f=-0.019) USER MOD Single : A 55 TYR OH : rot 70:sc= -0.178 USER MOD Single : A 80 LYS NZ :NH3+ -113:sc= -0.695 (180deg=-2.68!) USER MOD Single : A 81 ASN : amide:sc= -0.0634 K(o=-0.063,f=-1.2) USER MOD Single : A 82 SER OG : rot -42:sc= 0.709 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 92 THR OG1 : rot -155:sc= 1.35 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 123 THR OG1 : rot 60:sc= 1.17 USER MOD Single : A 124 THR OG1 : rot 20:sc= 0.77 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -1.77 K(o=-1.8,f=-3) USER MOD Single : A 134 THR OG1 : rot -117:sc= 0.321 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 138 ASN : amide:sc= -4.78! C(o=-4.8!,f=-5.3!) USER MOD Single : A 139 LYS NZ :NH3+ -125:sc= 0.964 (180deg=-2.2!) USER MOD Single : A 144 GLN : amide:sc= 0.3 X(o=0.3,f=0) USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 28:sc= 0.101 USER MOD Single : A 156 SER OG : rot -85:sc= 0.895 USER MOD Single : A 163 ASN : amide:sc= -0.0119 K(o=-0.012,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 8 3.563 9.926 -3.393 1.00 1.20 N ATOM 66 CA GLN A 8 4.815 10.653 -3.338 1.00 1.13 C ATOM 67 C GLN A 8 4.598 12.131 -3.597 1.00 0.98 C ATOM 68 O GLN A 8 4.032 12.518 -4.620 1.00 0.93 O ATOM 69 CB GLN A 8 5.823 10.088 -4.340 1.00 1.19 C ATOM 70 CG GLN A 8 6.605 8.897 -3.813 1.00 1.42 C ATOM 71 CD GLN A 8 7.414 9.230 -2.567 1.00 1.54 C ATOM 72 OE1 GLN A 8 7.871 10.470 -2.462 1.00 2.00 O flip ATOM 73 NE2 GLN A 8 7.634 8.374 -1.711 1.00 1.75 N flip ATOM 0 HA GLN A 8 5.220 10.532 -2.333 1.00 1.13 H new ATOM 0 HB2 GLN A 8 5.294 9.792 -5.246 1.00 1.19 H new ATOM 0 HB3 GLN A 8 6.523 10.875 -4.621 1.00 1.19 H new ATOM 0 HG2 GLN A 8 5.914 8.085 -3.586 1.00 1.42 H new ATOM 0 HG3 GLN A 8 7.277 8.535 -4.591 1.00 1.42 H new ATOM 0 HE21 GLN A 8 7.265 7.430 -1.827 1.00 1.75 H new ATOM 0 HE22 GLN A 8 8.185 8.608 -0.885 1.00 1.75 H new ATOM 82 N VAL A 9 5.028 12.953 -2.653 1.00 0.94 N ATOM 83 CA VAL A 9 5.024 14.392 -2.841 1.00 0.81 C ATOM 84 C VAL A 9 6.350 14.817 -3.446 1.00 0.79 C ATOM 85 O VAL A 9 7.406 14.589 -2.863 1.00 0.87 O ATOM 86 CB VAL A 9 4.799 15.143 -1.514 1.00 0.81 C ATOM 87 CG1 VAL A 9 4.696 16.645 -1.741 1.00 1.16 C ATOM 88 CG2 VAL A 9 3.561 14.611 -0.814 1.00 1.27 C ATOM 0 H VAL A 9 5.384 12.646 -1.748 1.00 0.94 H new ATOM 0 HA VAL A 9 4.200 14.645 -3.509 1.00 0.81 H new ATOM 0 HB VAL A 9 5.662 14.969 -0.871 1.00 0.81 H new ATOM 0 HG11 VAL A 9 4.537 17.147 -0.787 1.00 1.16 H new ATOM 0 HG12 VAL A 9 5.619 17.009 -2.194 1.00 1.16 H new ATOM 0 HG13 VAL A 9 3.858 16.856 -2.406 1.00 1.16 H new ATOM 0 HG21 VAL A 9 3.413 15.149 0.122 1.00 1.27 H new ATOM 0 HG22 VAL A 9 2.691 14.752 -1.456 1.00 1.27 H new ATOM 0 HG23 VAL A 9 3.689 13.549 -0.605 1.00 1.27 H new ATOM 98 N TYR A 10 6.289 15.418 -4.619 1.00 0.71 N ATOM 99 CA TYR A 10 7.487 15.762 -5.359 1.00 0.71 C ATOM 100 C TYR A 10 7.899 17.182 -5.036 1.00 0.62 C ATOM 101 O TYR A 10 7.062 18.082 -4.932 1.00 0.57 O ATOM 102 CB TYR A 10 7.236 15.580 -6.856 1.00 0.74 C ATOM 103 CG TYR A 10 6.532 14.276 -7.164 1.00 0.83 C ATOM 104 CD1 TYR A 10 7.159 13.057 -6.937 1.00 0.95 C ATOM 105 CD2 TYR A 10 5.235 14.262 -7.657 1.00 0.84 C ATOM 106 CE1 TYR A 10 6.512 11.863 -7.196 1.00 1.04 C ATOM 107 CE2 TYR A 10 4.583 13.072 -7.918 1.00 0.94 C ATOM 108 CZ TYR A 10 5.225 11.877 -7.687 1.00 1.03 C ATOM 109 OH TYR A 10 4.576 10.695 -7.946 1.00 1.14 O ATOM 0 H TYR A 10 5.418 15.679 -5.081 1.00 0.71 H new ATOM 0 HA TYR A 10 8.303 15.101 -5.069 1.00 0.71 H new ATOM 0 HB2 TYR A 10 6.635 16.411 -7.225 1.00 0.74 H new ATOM 0 HB3 TYR A 10 8.187 15.612 -7.388 1.00 0.74 H new ATOM 0 HD1 TYR A 10 8.168 13.042 -6.552 1.00 0.95 H new ATOM 0 HD2 TYR A 10 4.726 15.197 -7.840 1.00 0.84 H new ATOM 0 HE1 TYR A 10 7.013 10.924 -7.014 1.00 1.04 H new ATOM 0 HE2 TYR A 10 3.574 13.080 -8.302 1.00 0.94 H new ATOM 0 HH TYR A 10 3.676 10.883 -8.286 1.00 1.14 H new ATOM 119 N ARG A 11 9.188 17.372 -4.867 1.00 0.66 N ATOM 120 CA ARG A 11 9.713 18.636 -4.423 1.00 0.64 C ATOM 121 C ARG A 11 10.513 19.290 -5.534 1.00 0.56 C ATOM 122 O ARG A 11 11.249 18.621 -6.262 1.00 0.66 O ATOM 123 CB ARG A 11 10.570 18.412 -3.183 1.00 0.85 C ATOM 124 CG ARG A 11 10.981 19.683 -2.486 1.00 0.85 C ATOM 125 CD ARG A 11 11.416 19.396 -1.062 1.00 1.11 C ATOM 126 NE ARG A 11 10.272 19.065 -0.210 1.00 1.37 N ATOM 127 CZ ARG A 11 10.361 18.481 0.987 1.00 1.76 C ATOM 128 NH1 ARG A 11 11.535 18.055 1.441 1.00 2.15 N ATOM 129 NH2 ARG A 11 9.265 18.293 1.714 1.00 2.31 N ATOM 0 H ARG A 11 9.896 16.657 -5.033 1.00 0.66 H new ATOM 0 HA ARG A 11 8.894 19.308 -4.166 1.00 0.64 H new ATOM 0 HB2 ARG A 11 10.019 17.786 -2.481 1.00 0.85 H new ATOM 0 HB3 ARG A 11 11.466 17.859 -3.467 1.00 0.85 H new ATOM 0 HG2 ARG A 11 11.797 20.156 -3.033 1.00 0.85 H new ATOM 0 HG3 ARG A 11 10.149 20.387 -2.483 1.00 0.85 H new ATOM 0 HD2 ARG A 11 12.127 18.570 -1.057 1.00 1.11 H new ATOM 0 HD3 ARG A 11 11.934 20.265 -0.656 1.00 1.11 H new ATOM 0 HE ARG A 11 9.341 19.297 -0.556 1.00 1.37 H new ATOM 0 HH11 ARG A 11 12.375 18.174 0.874 1.00 2.15 H new ATOM 0 HH12 ARG A 11 11.597 17.610 2.357 1.00 2.15 H new ATOM 0 HH21 ARG A 11 8.358 18.595 1.357 1.00 2.31 H new ATOM 0 HH22 ARG A 11 9.330 17.847 2.629 1.00 2.31 H new ATOM 143 N GLY A 12 10.343 20.587 -5.677 1.00 0.46 N ATOM 144 CA GLY A 12 11.046 21.319 -6.696 1.00 0.45 C ATOM 145 C GLY A 12 11.071 22.789 -6.376 1.00 0.44 C ATOM 146 O GLY A 12 10.825 23.182 -5.236 1.00 0.50 O ATOM 0 H GLY A 12 9.722 21.152 -5.097 1.00 0.46 H new ATOM 0 HA2 GLY A 12 12.066 20.943 -6.782 1.00 0.45 H new ATOM 0 HA3 GLY A 12 10.565 21.160 -7.661 1.00 0.45 H new ATOM 150 N PHE A 13 11.373 23.604 -7.364 1.00 0.44 N ATOM 151 CA PHE A 13 11.424 25.040 -7.167 1.00 0.46 C ATOM 152 C PHE A 13 11.108 25.772 -8.463 1.00 0.43 C ATOM 153 O PHE A 13 11.243 25.217 -9.557 1.00 0.45 O ATOM 154 CB PHE A 13 12.794 25.460 -6.610 1.00 0.57 C ATOM 155 CG PHE A 13 13.890 24.461 -6.872 1.00 0.57 C ATOM 156 CD1 PHE A 13 14.598 24.485 -8.060 1.00 0.63 C ATOM 157 CD2 PHE A 13 14.216 23.495 -5.923 1.00 0.58 C ATOM 158 CE1 PHE A 13 15.610 23.575 -8.294 1.00 0.68 C ATOM 159 CE2 PHE A 13 15.223 22.586 -6.158 1.00 0.63 C ATOM 160 CZ PHE A 13 15.920 22.626 -7.344 1.00 0.67 C ATOM 0 H PHE A 13 11.587 23.298 -8.313 1.00 0.44 H new ATOM 0 HA PHE A 13 10.665 25.316 -6.435 1.00 0.46 H new ATOM 0 HB2 PHE A 13 13.076 26.417 -7.048 1.00 0.57 H new ATOM 0 HB3 PHE A 13 12.706 25.615 -5.535 1.00 0.57 H new ATOM 0 HD1 PHE A 13 14.357 25.222 -8.812 1.00 0.63 H new ATOM 0 HD2 PHE A 13 13.672 23.459 -4.991 1.00 0.58 H new ATOM 0 HE1 PHE A 13 16.160 23.607 -9.223 1.00 0.68 H new ATOM 0 HE2 PHE A 13 15.466 21.843 -5.413 1.00 0.63 H new ATOM 0 HZ PHE A 13 16.710 21.914 -7.530 1.00 0.67 H new ATOM 170 N ILE A 14 10.662 27.007 -8.329 1.00 0.42 N ATOM 171 CA ILE A 14 10.245 27.802 -9.472 1.00 0.42 C ATOM 172 C ILE A 14 11.450 28.288 -10.277 1.00 0.48 C ATOM 173 O ILE A 14 12.299 29.012 -9.758 1.00 0.56 O ATOM 174 CB ILE A 14 9.419 29.026 -9.025 1.00 0.43 C ATOM 175 CG1 ILE A 14 8.252 28.597 -8.122 1.00 0.41 C ATOM 176 CG2 ILE A 14 8.904 29.781 -10.241 1.00 0.46 C ATOM 177 CD1 ILE A 14 7.243 27.692 -8.805 1.00 0.38 C ATOM 0 H ILE A 14 10.578 27.486 -7.432 1.00 0.42 H new ATOM 0 HA ILE A 14 9.629 27.158 -10.099 1.00 0.42 H new ATOM 0 HB ILE A 14 10.065 29.688 -8.449 1.00 0.43 H new ATOM 0 HG12 ILE A 14 8.652 28.083 -7.248 1.00 0.41 H new ATOM 0 HG13 ILE A 14 7.739 29.488 -7.761 1.00 0.41 H new ATOM 0 HG21 ILE A 14 8.322 30.643 -9.915 1.00 0.46 H new ATOM 0 HG22 ILE A 14 9.747 30.119 -10.843 1.00 0.46 H new ATOM 0 HG23 ILE A 14 8.273 29.122 -10.838 1.00 0.46 H new ATOM 0 HD11 ILE A 14 6.451 27.434 -8.102 1.00 0.38 H new ATOM 0 HD12 ILE A 14 6.812 28.209 -9.663 1.00 0.38 H new ATOM 0 HD13 ILE A 14 7.740 26.782 -9.142 1.00 0.38 H new ATOM 189 N ALA A 15 11.518 27.888 -11.541 1.00 0.49 N ATOM 190 CA ALA A 15 12.611 28.305 -12.413 1.00 0.58 C ATOM 191 C ALA A 15 12.136 29.317 -13.455 1.00 0.65 C ATOM 192 O ALA A 15 12.845 30.267 -13.774 1.00 0.76 O ATOM 193 CB ALA A 15 13.236 27.099 -13.095 1.00 0.59 C ATOM 0 H ALA A 15 10.832 27.277 -11.985 1.00 0.49 H new ATOM 0 HA ALA A 15 13.365 28.790 -11.793 1.00 0.58 H new ATOM 0 HB1 ALA A 15 14.049 27.428 -13.742 1.00 0.59 H new ATOM 0 HB2 ALA A 15 13.626 26.416 -12.340 1.00 0.59 H new ATOM 0 HB3 ALA A 15 12.482 26.587 -13.693 1.00 0.59 H new ATOM 199 N VAL A 16 10.929 29.115 -13.969 1.00 0.66 N ATOM 200 CA VAL A 16 10.375 29.989 -14.997 1.00 0.78 C ATOM 201 C VAL A 16 8.928 30.348 -14.678 1.00 0.69 C ATOM 202 O VAL A 16 8.116 29.477 -14.361 1.00 0.67 O ATOM 203 CB VAL A 16 10.457 29.336 -16.403 1.00 0.94 C ATOM 204 CG1 VAL A 16 9.984 27.898 -16.353 1.00 1.55 C ATOM 205 CG2 VAL A 16 9.644 30.124 -17.425 1.00 1.42 C ATOM 0 H VAL A 16 10.313 28.351 -13.690 1.00 0.66 H new ATOM 0 HA VAL A 16 10.974 30.899 -15.007 1.00 0.78 H new ATOM 0 HB VAL A 16 11.501 29.350 -16.715 1.00 0.94 H new ATOM 0 HG11 VAL A 16 10.049 27.459 -17.348 1.00 1.55 H new ATOM 0 HG12 VAL A 16 10.612 27.332 -15.665 1.00 1.55 H new ATOM 0 HG13 VAL A 16 8.950 27.867 -16.010 1.00 1.55 H new ATOM 0 HG21 VAL A 16 9.721 29.643 -18.400 1.00 1.42 H new ATOM 0 HG22 VAL A 16 8.599 30.152 -17.115 1.00 1.42 H new ATOM 0 HG23 VAL A 16 10.030 31.141 -17.491 1.00 1.42 H new ATOM 215 N MET A 17 8.613 31.635 -14.760 1.00 0.73 N ATOM 216 CA MET A 17 7.262 32.108 -14.499 1.00 0.71 C ATOM 217 C MET A 17 6.726 32.868 -15.697 1.00 0.81 C ATOM 218 O MET A 17 7.405 33.738 -16.244 1.00 0.89 O ATOM 219 CB MET A 17 7.223 33.019 -13.268 1.00 0.74 C ATOM 220 CG MET A 17 7.705 32.347 -11.999 1.00 1.23 C ATOM 221 SD MET A 17 7.692 33.445 -10.571 1.00 1.42 S ATOM 222 CE MET A 17 5.931 33.614 -10.282 1.00 0.90 C ATOM 0 H MET A 17 9.277 32.369 -15.006 1.00 0.73 H new ATOM 0 HA MET A 17 6.639 31.234 -14.311 1.00 0.71 H new ATOM 0 HB2 MET A 17 7.837 33.899 -13.459 1.00 0.74 H new ATOM 0 HB3 MET A 17 6.202 33.369 -13.118 1.00 0.74 H new ATOM 0 HG2 MET A 17 7.075 31.482 -11.791 1.00 1.23 H new ATOM 0 HG3 MET A 17 8.717 31.974 -12.154 1.00 1.23 H new ATOM 0 HE1 MET A 17 5.765 34.239 -9.404 1.00 0.90 H new ATOM 0 HE2 MET A 17 5.462 34.076 -11.151 1.00 0.90 H new ATOM 0 HE3 MET A 17 5.494 32.630 -10.115 1.00 0.90 H new ATOM 232 N LYS A 18 5.528 32.502 -16.122 1.00 0.83 N ATOM 233 CA LYS A 18 4.799 33.250 -17.133 1.00 0.97 C ATOM 234 C LYS A 18 3.587 33.895 -16.465 1.00 1.03 C ATOM 235 O LYS A 18 3.443 33.820 -15.244 1.00 1.01 O ATOM 236 CB LYS A 18 4.360 32.323 -18.276 1.00 1.02 C ATOM 237 CG LYS A 18 4.760 32.812 -19.658 1.00 1.31 C ATOM 238 CD LYS A 18 6.275 32.847 -19.823 1.00 1.39 C ATOM 239 CE LYS A 18 6.853 31.459 -20.073 1.00 1.29 C ATOM 240 NZ LYS A 18 6.506 30.954 -21.429 1.00 2.03 N ATOM 0 H LYS A 18 5.034 31.679 -15.777 1.00 0.83 H new ATOM 0 HA LYS A 18 5.439 34.020 -17.563 1.00 0.97 H new ATOM 0 HB2 LYS A 18 4.790 31.334 -18.113 1.00 1.02 H new ATOM 0 HB3 LYS A 18 3.276 32.209 -18.242 1.00 1.02 H new ATOM 0 HG2 LYS A 18 4.326 32.159 -20.415 1.00 1.31 H new ATOM 0 HG3 LYS A 18 4.352 33.809 -19.824 1.00 1.31 H new ATOM 0 HD2 LYS A 18 6.534 33.503 -20.654 1.00 1.39 H new ATOM 0 HD3 LYS A 18 6.728 33.273 -18.927 1.00 1.39 H new ATOM 0 HE2 LYS A 18 7.937 31.491 -19.963 1.00 1.29 H new ATOM 0 HE3 LYS A 18 6.477 30.767 -19.320 1.00 1.29 H new ATOM 0 HZ1 LYS A 18 7.099 30.130 -21.655 1.00 2.03 H new ATOM 0 HZ2 LYS A 18 5.504 30.675 -21.450 1.00 2.03 H new ATOM 0 HZ3 LYS A 18 6.672 31.703 -22.131 1.00 2.03 H new ATOM 254 N GLU A 19 2.713 34.516 -17.239 1.00 1.21 N ATOM 255 CA GLU A 19 1.527 35.132 -16.662 1.00 1.32 C ATOM 256 C GLU A 19 0.388 34.119 -16.563 1.00 1.18 C ATOM 257 O GLU A 19 -0.598 34.342 -15.855 1.00 1.24 O ATOM 258 CB GLU A 19 1.087 36.362 -17.462 1.00 1.62 C ATOM 259 CG GLU A 19 0.724 36.064 -18.900 1.00 2.11 C ATOM 260 CD GLU A 19 1.934 35.893 -19.795 1.00 2.65 C ATOM 261 OE1 GLU A 19 2.405 36.899 -20.365 1.00 2.89 O ATOM 262 OE2 GLU A 19 2.416 34.752 -19.932 1.00 3.24 O ATOM 0 H GLU A 19 2.798 34.607 -18.251 1.00 1.21 H new ATOM 0 HA GLU A 19 1.784 35.466 -15.657 1.00 1.32 H new ATOM 0 HB2 GLU A 19 0.228 36.816 -16.968 1.00 1.62 H new ATOM 0 HB3 GLU A 19 1.890 37.099 -17.446 1.00 1.62 H new ATOM 0 HG2 GLU A 19 0.122 35.156 -18.936 1.00 2.11 H new ATOM 0 HG3 GLU A 19 0.104 36.873 -19.287 1.00 2.11 H new ATOM 269 N ASN A 20 0.530 33.010 -17.280 1.00 1.10 N ATOM 270 CA ASN A 20 -0.474 31.950 -17.270 1.00 1.07 C ATOM 271 C ASN A 20 0.030 30.673 -16.586 1.00 0.95 C ATOM 272 O ASN A 20 -0.668 30.095 -15.753 1.00 0.97 O ATOM 273 CB ASN A 20 -0.937 31.652 -18.701 1.00 1.19 C ATOM 274 CG ASN A 20 0.199 31.683 -19.712 1.00 1.48 C ATOM 275 OD1 ASN A 20 1.349 31.371 -19.397 1.00 2.03 O ATOM 276 ND2 ASN A 20 -0.111 32.076 -20.932 1.00 1.59 N ATOM 0 H ASN A 20 1.334 32.820 -17.878 1.00 1.10 H new ATOM 0 HA ASN A 20 -1.321 32.307 -16.684 1.00 1.07 H new ATOM 0 HB2 ASN A 20 -1.412 30.671 -18.726 1.00 1.19 H new ATOM 0 HB3 ASN A 20 -1.694 32.380 -18.991 1.00 1.19 H new ATOM 0 HD21 ASN A 20 0.612 32.129 -21.650 1.00 1.59 H new ATOM 0 HD22 ASN A 20 -1.074 32.327 -21.158 1.00 1.59 H new ATOM 283 N PHE A 21 1.234 30.231 -16.931 1.00 0.88 N ATOM 284 CA PHE A 21 1.769 28.985 -16.386 1.00 0.80 C ATOM 285 C PHE A 21 3.266 29.093 -16.113 1.00 0.75 C ATOM 286 O PHE A 21 3.865 30.156 -16.266 1.00 0.79 O ATOM 287 CB PHE A 21 1.499 27.814 -17.341 1.00 0.87 C ATOM 288 CG PHE A 21 2.016 28.019 -18.742 1.00 0.94 C ATOM 289 CD1 PHE A 21 3.370 27.928 -19.020 1.00 0.97 C ATOM 290 CD2 PHE A 21 1.140 28.289 -19.780 1.00 1.14 C ATOM 291 CE1 PHE A 21 3.843 28.106 -20.304 1.00 1.05 C ATOM 292 CE2 PHE A 21 1.606 28.470 -21.067 1.00 1.25 C ATOM 293 CZ PHE A 21 2.960 28.380 -21.331 1.00 1.15 C ATOM 0 H PHE A 21 1.856 30.712 -17.581 1.00 0.88 H new ATOM 0 HA PHE A 21 1.260 28.799 -15.440 1.00 0.80 H new ATOM 0 HB2 PHE A 21 1.952 26.913 -16.928 1.00 0.87 H new ATOM 0 HB3 PHE A 21 0.424 27.638 -17.386 1.00 0.87 H new ATOM 0 HD1 PHE A 21 4.065 27.715 -18.221 1.00 0.97 H new ATOM 0 HD2 PHE A 21 0.081 28.359 -19.581 1.00 1.14 H new ATOM 0 HE1 PHE A 21 4.901 28.031 -20.506 1.00 1.05 H new ATOM 0 HE2 PHE A 21 0.913 28.682 -21.868 1.00 1.25 H new ATOM 0 HZ PHE A 21 3.327 28.523 -22.337 1.00 1.15 H new ATOM 303 N GLY A 22 3.857 27.982 -15.706 1.00 0.71 N ATOM 304 CA GLY A 22 5.287 27.928 -15.497 1.00 0.68 C ATOM 305 C GLY A 22 5.787 26.502 -15.484 1.00 0.66 C ATOM 306 O GLY A 22 5.001 25.559 -15.621 1.00 0.70 O ATOM 0 H GLY A 22 3.366 27.109 -15.515 1.00 0.71 H new ATOM 0 HA2 GLY A 22 5.793 28.486 -16.285 1.00 0.68 H new ATOM 0 HA3 GLY A 22 5.537 28.412 -14.553 1.00 0.68 H new ATOM 310 N PHE A 23 7.087 26.337 -15.319 1.00 0.66 N ATOM 311 CA PHE A 23 7.682 25.012 -15.253 1.00 0.65 C ATOM 312 C PHE A 23 8.466 24.870 -13.960 1.00 0.56 C ATOM 313 O PHE A 23 9.148 25.807 -13.527 1.00 0.59 O ATOM 314 CB PHE A 23 8.596 24.759 -16.457 1.00 0.76 C ATOM 315 CG PHE A 23 7.910 24.939 -17.783 1.00 0.85 C ATOM 316 CD1 PHE A 23 7.117 23.936 -18.314 1.00 0.88 C ATOM 317 CD2 PHE A 23 8.061 26.116 -18.496 1.00 0.98 C ATOM 318 CE1 PHE A 23 6.488 24.105 -19.532 1.00 0.98 C ATOM 319 CE2 PHE A 23 7.439 26.294 -19.712 1.00 1.08 C ATOM 320 CZ PHE A 23 6.649 25.286 -20.233 1.00 1.06 C ATOM 0 H PHE A 23 7.753 27.104 -15.228 1.00 0.66 H new ATOM 0 HA PHE A 23 6.883 24.271 -15.276 1.00 0.65 H new ATOM 0 HB2 PHE A 23 9.449 25.436 -16.404 1.00 0.76 H new ATOM 0 HB3 PHE A 23 8.990 23.745 -16.396 1.00 0.76 H new ATOM 0 HD1 PHE A 23 6.989 23.012 -17.770 1.00 0.88 H new ATOM 0 HD2 PHE A 23 8.676 26.907 -18.093 1.00 0.98 H new ATOM 0 HE1 PHE A 23 5.871 23.316 -19.936 1.00 0.98 H new ATOM 0 HE2 PHE A 23 7.568 27.218 -20.257 1.00 1.08 H new ATOM 0 HZ PHE A 23 6.159 25.421 -21.186 1.00 1.06 H new ATOM 330 N ILE A 24 8.348 23.716 -13.332 1.00 0.54 N ATOM 331 CA ILE A 24 8.997 23.479 -12.059 1.00 0.48 C ATOM 332 C ILE A 24 10.281 22.688 -12.249 1.00 0.54 C ATOM 333 O ILE A 24 10.268 21.595 -12.824 1.00 0.61 O ATOM 334 CB ILE A 24 8.069 22.715 -11.091 1.00 0.42 C ATOM 335 CG1 ILE A 24 6.751 23.474 -10.911 1.00 0.41 C ATOM 336 CG2 ILE A 24 8.754 22.501 -9.747 1.00 0.40 C ATOM 337 CD1 ILE A 24 5.747 22.758 -10.036 1.00 0.41 C ATOM 0 H ILE A 24 7.807 22.926 -13.685 1.00 0.54 H new ATOM 0 HA ILE A 24 9.231 24.453 -11.628 1.00 0.48 H new ATOM 0 HB ILE A 24 7.850 21.737 -11.519 1.00 0.42 H new ATOM 0 HG12 ILE A 24 6.962 24.452 -10.479 1.00 0.41 H new ATOM 0 HG13 ILE A 24 6.306 23.647 -11.891 1.00 0.41 H new ATOM 0 HG21 ILE A 24 8.083 21.961 -9.079 1.00 0.40 H new ATOM 0 HG22 ILE A 24 9.666 21.922 -9.892 1.00 0.40 H new ATOM 0 HG23 ILE A 24 9.003 23.467 -9.308 1.00 0.40 H new ATOM 0 HD11 ILE A 24 4.840 23.358 -9.957 1.00 0.41 H new ATOM 0 HD12 ILE A 24 5.505 21.791 -10.477 1.00 0.41 H new ATOM 0 HD13 ILE A 24 6.171 22.608 -9.043 1.00 0.41 H new ATOM 349 N GLU A 25 11.385 23.247 -11.781 1.00 0.58 N ATOM 350 CA GLU A 25 12.644 22.533 -11.789 1.00 0.67 C ATOM 351 C GLU A 25 12.616 21.517 -10.661 1.00 0.64 C ATOM 352 O GLU A 25 12.440 21.882 -9.497 1.00 0.63 O ATOM 353 CB GLU A 25 13.823 23.495 -11.619 1.00 0.78 C ATOM 354 CG GLU A 25 15.172 22.864 -11.936 1.00 0.95 C ATOM 355 CD GLU A 25 16.344 23.746 -11.558 1.00 1.60 C ATOM 356 OE1 GLU A 25 17.233 23.283 -10.810 1.00 2.07 O ATOM 357 OE2 GLU A 25 16.377 24.911 -12.005 1.00 2.30 O ATOM 0 H GLU A 25 11.432 24.189 -11.393 1.00 0.58 H new ATOM 0 HA GLU A 25 12.776 22.029 -12.746 1.00 0.67 H new ATOM 0 HB2 GLU A 25 13.673 24.359 -12.267 1.00 0.78 H new ATOM 0 HB3 GLU A 25 13.835 23.864 -10.594 1.00 0.78 H new ATOM 0 HG2 GLU A 25 15.255 21.914 -11.408 1.00 0.95 H new ATOM 0 HG3 GLU A 25 15.221 22.642 -13.002 1.00 0.95 H new ATOM 364 N THR A 26 12.729 20.247 -11.011 1.00 0.68 N ATOM 365 CA THR A 26 12.646 19.180 -10.029 1.00 0.69 C ATOM 366 C THR A 26 13.854 19.177 -9.106 1.00 0.71 C ATOM 367 O THR A 26 14.899 19.740 -9.432 1.00 0.82 O ATOM 368 CB THR A 26 12.498 17.813 -10.710 1.00 0.79 C ATOM 369 OG1 THR A 26 13.191 17.819 -11.965 1.00 0.84 O ATOM 370 CG2 THR A 26 11.028 17.473 -10.927 1.00 0.87 C ATOM 0 H THR A 26 12.879 19.930 -11.969 1.00 0.68 H new ATOM 0 HA THR A 26 11.757 19.366 -9.426 1.00 0.69 H new ATOM 0 HB THR A 26 12.933 17.053 -10.061 1.00 0.79 H new ATOM 0 HG1 THR A 26 12.582 18.113 -12.674 1.00 0.84 H new ATOM 0 HG21 THR A 26 10.947 16.500 -11.411 1.00 0.87 H new ATOM 0 HG22 THR A 26 10.516 17.444 -9.965 1.00 0.87 H new ATOM 0 HG23 THR A 26 10.569 18.232 -11.560 1.00 0.87 H new ATOM 378 N LEU A 27 13.696 18.536 -7.955 1.00 0.68 N ATOM 379 CA LEU A 27 14.713 18.545 -6.919 1.00 0.74 C ATOM 380 C LEU A 27 16.050 18.043 -7.442 1.00 0.89 C ATOM 381 O LEU A 27 17.090 18.659 -7.212 1.00 1.00 O ATOM 382 CB LEU A 27 14.294 17.665 -5.754 1.00 0.74 C ATOM 383 CG LEU A 27 15.003 17.995 -4.449 1.00 0.80 C ATOM 384 CD1 LEU A 27 14.388 19.230 -3.817 1.00 1.48 C ATOM 385 CD2 LEU A 27 14.958 16.811 -3.507 1.00 1.58 C ATOM 0 H LEU A 27 12.862 17.999 -7.717 1.00 0.68 H new ATOM 0 HA LEU A 27 14.823 19.579 -6.591 1.00 0.74 H new ATOM 0 HB2 LEU A 27 13.218 17.761 -5.607 1.00 0.74 H new ATOM 0 HB3 LEU A 27 14.489 16.623 -6.009 1.00 0.74 H new ATOM 0 HG LEU A 27 16.051 18.210 -4.659 1.00 0.80 H new ATOM 0 HD11 LEU A 27 14.904 19.456 -2.884 1.00 1.48 H new ATOM 0 HD12 LEU A 27 14.485 20.075 -4.499 1.00 1.48 H new ATOM 0 HD13 LEU A 27 13.333 19.047 -3.613 1.00 1.48 H new ATOM 0 HD21 LEU A 27 15.470 17.065 -2.579 1.00 1.58 H new ATOM 0 HD22 LEU A 27 13.920 16.557 -3.291 1.00 1.58 H new ATOM 0 HD23 LEU A 27 15.452 15.957 -3.972 1.00 1.58 H new ATOM 397 N SER A 28 16.016 16.915 -8.123 1.00 0.97 N ATOM 398 CA SER A 28 17.219 16.309 -8.644 1.00 1.16 C ATOM 399 C SER A 28 17.141 16.231 -10.159 1.00 1.12 C ATOM 400 O SER A 28 17.528 15.225 -10.750 1.00 1.25 O ATOM 401 CB SER A 28 17.399 14.912 -8.037 1.00 1.34 C ATOM 402 OG SER A 28 17.507 14.985 -6.623 1.00 2.04 O ATOM 0 H SER A 28 15.161 16.399 -8.328 1.00 0.97 H new ATOM 0 HA SER A 28 18.081 16.919 -8.373 1.00 1.16 H new ATOM 0 HB2 SER A 28 16.553 14.281 -8.309 1.00 1.34 H new ATOM 0 HB3 SER A 28 18.292 14.444 -8.450 1.00 1.34 H new ATOM 0 HG SER A 28 17.619 14.083 -6.257 1.00 2.04 H new ATOM 408 N HIS A 29 16.617 17.306 -10.768 1.00 1.00 N ATOM 409 CA HIS A 29 16.427 17.410 -12.225 1.00 1.01 C ATOM 410 C HIS A 29 15.802 16.130 -12.791 1.00 1.02 C ATOM 411 O HIS A 29 16.067 15.733 -13.928 1.00 1.13 O ATOM 412 CB HIS A 29 17.744 17.769 -12.960 1.00 1.17 C ATOM 413 CG HIS A 29 18.845 16.754 -12.846 1.00 1.75 C ATOM 414 ND1 HIS A 29 18.973 15.666 -13.680 1.00 2.53 N ATOM 415 CD2 HIS A 29 19.879 16.675 -11.966 1.00 2.06 C ATOM 416 CE1 HIS A 29 20.050 14.971 -13.290 1.00 3.29 C ATOM 417 NE2 HIS A 29 20.637 15.541 -12.254 1.00 3.03 N ATOM 0 H HIS A 29 16.310 18.135 -10.259 1.00 1.00 H new ATOM 0 HA HIS A 29 15.732 18.231 -12.402 1.00 1.01 H new ATOM 0 HB2 HIS A 29 17.521 17.920 -14.016 1.00 1.17 H new ATOM 0 HB3 HIS A 29 18.109 18.720 -12.572 1.00 1.17 H new ATOM 0 HD1 HIS A 29 18.356 15.431 -14.458 1.00 2.53 H new ATOM 0 HD2 HIS A 29 20.081 17.378 -11.171 1.00 2.06 H new ATOM 0 HE1 HIS A 29 20.393 14.062 -13.762 1.00 3.29 H new ATOM 425 N ASP A 30 14.942 15.524 -11.978 1.00 1.05 N ATOM 426 CA ASP A 30 14.267 14.275 -12.305 1.00 1.17 C ATOM 427 C ASP A 30 13.572 14.377 -13.655 1.00 1.15 C ATOM 428 O ASP A 30 13.703 13.493 -14.506 1.00 1.31 O ATOM 429 CB ASP A 30 13.235 13.949 -11.215 1.00 1.31 C ATOM 430 CG ASP A 30 13.809 14.035 -9.811 1.00 2.12 C ATOM 431 OD1 ASP A 30 13.990 15.169 -9.309 1.00 2.89 O ATOM 432 OD2 ASP A 30 14.064 12.974 -9.200 1.00 2.47 O ATOM 0 H ASP A 30 14.692 15.893 -11.061 1.00 1.05 H new ATOM 0 HA ASP A 30 15.010 13.479 -12.357 1.00 1.17 H new ATOM 0 HB2 ASP A 30 12.394 14.637 -11.301 1.00 1.31 H new ATOM 0 HB3 ASP A 30 12.844 12.945 -11.381 1.00 1.31 H new ATOM 437 N GLU A 31 12.844 15.470 -13.841 1.00 1.06 N ATOM 438 CA GLU A 31 12.140 15.741 -15.087 1.00 1.19 C ATOM 439 C GLU A 31 11.619 17.174 -15.096 1.00 1.07 C ATOM 440 O GLU A 31 11.719 17.887 -14.099 1.00 0.94 O ATOM 441 CB GLU A 31 10.992 14.746 -15.288 1.00 1.37 C ATOM 442 CG GLU A 31 10.020 14.677 -14.122 1.00 1.33 C ATOM 443 CD GLU A 31 9.059 13.515 -14.252 1.00 1.49 C ATOM 444 OE1 GLU A 31 7.855 13.760 -14.473 1.00 1.80 O ATOM 445 OE2 GLU A 31 9.493 12.354 -14.134 1.00 1.65 O ATOM 0 H GLU A 31 12.725 16.194 -13.132 1.00 1.06 H new ATOM 0 HA GLU A 31 12.840 15.621 -15.914 1.00 1.19 H new ATOM 0 HB2 GLU A 31 10.443 15.018 -16.189 1.00 1.37 H new ATOM 0 HB3 GLU A 31 11.411 13.754 -15.457 1.00 1.37 H new ATOM 0 HG2 GLU A 31 10.578 14.583 -13.190 1.00 1.33 H new ATOM 0 HG3 GLU A 31 9.457 15.608 -14.064 1.00 1.33 H new ATOM 452 N GLU A 32 11.076 17.596 -16.218 1.00 1.20 N ATOM 453 CA GLU A 32 10.560 18.943 -16.343 1.00 1.14 C ATOM 454 C GLU A 32 9.039 18.902 -16.295 1.00 1.04 C ATOM 455 O GLU A 32 8.402 18.228 -17.105 1.00 1.17 O ATOM 456 CB GLU A 32 11.066 19.574 -17.639 1.00 1.41 C ATOM 457 CG GLU A 32 10.747 21.050 -17.775 1.00 1.85 C ATOM 458 CD GLU A 32 11.492 21.681 -18.930 1.00 2.71 C ATOM 459 OE1 GLU A 32 10.990 21.608 -20.068 1.00 3.37 O ATOM 460 OE2 GLU A 32 12.591 22.228 -18.699 1.00 3.06 O ATOM 0 H GLU A 32 10.980 17.025 -17.058 1.00 1.20 H new ATOM 0 HA GLU A 32 10.913 19.559 -15.516 1.00 1.14 H new ATOM 0 HB2 GLU A 32 12.146 19.440 -17.698 1.00 1.41 H new ATOM 0 HB3 GLU A 32 10.632 19.040 -18.484 1.00 1.41 H new ATOM 0 HG2 GLU A 32 9.674 21.178 -17.921 1.00 1.85 H new ATOM 0 HG3 GLU A 32 11.007 21.565 -16.850 1.00 1.85 H new ATOM 467 N VAL A 33 8.464 19.601 -15.326 1.00 0.87 N ATOM 468 CA VAL A 33 7.037 19.501 -15.072 1.00 0.80 C ATOM 469 C VAL A 33 6.318 20.804 -15.384 1.00 0.75 C ATOM 470 O VAL A 33 6.730 21.881 -14.943 1.00 0.71 O ATOM 471 CB VAL A 33 6.749 19.115 -13.608 1.00 0.71 C ATOM 472 CG1 VAL A 33 5.260 18.881 -13.395 1.00 0.78 C ATOM 473 CG2 VAL A 33 7.547 17.885 -13.205 1.00 0.76 C ATOM 0 H VAL A 33 8.962 20.240 -14.707 1.00 0.87 H new ATOM 0 HA VAL A 33 6.663 18.718 -15.732 1.00 0.80 H new ATOM 0 HB VAL A 33 7.059 19.945 -12.973 1.00 0.71 H new ATOM 0 HG11 VAL A 33 5.079 18.610 -12.355 1.00 0.78 H new ATOM 0 HG12 VAL A 33 4.711 19.792 -13.633 1.00 0.78 H new ATOM 0 HG13 VAL A 33 4.922 18.074 -14.044 1.00 0.78 H new ATOM 0 HG21 VAL A 33 7.327 17.632 -12.168 1.00 0.76 H new ATOM 0 HG22 VAL A 33 7.275 17.048 -13.848 1.00 0.76 H new ATOM 0 HG23 VAL A 33 8.612 18.092 -13.310 1.00 0.76 H new ATOM 483 N PHE A 34 5.241 20.690 -16.142 1.00 0.83 N ATOM 484 CA PHE A 34 4.382 21.819 -16.438 1.00 0.82 C ATOM 485 C PHE A 34 3.300 21.949 -15.372 1.00 0.75 C ATOM 486 O PHE A 34 2.515 21.023 -15.150 1.00 0.78 O ATOM 487 CB PHE A 34 3.752 21.650 -17.827 1.00 0.94 C ATOM 488 CG PHE A 34 2.459 22.396 -18.012 1.00 0.95 C ATOM 489 CD1 PHE A 34 1.261 21.704 -18.073 1.00 1.02 C ATOM 490 CD2 PHE A 34 2.437 23.778 -18.114 1.00 0.93 C ATOM 491 CE1 PHE A 34 0.066 22.375 -18.233 1.00 1.06 C ATOM 492 CE2 PHE A 34 1.242 24.451 -18.276 1.00 0.97 C ATOM 493 CZ PHE A 34 0.057 23.748 -18.333 1.00 1.04 C ATOM 0 H PHE A 34 4.940 19.814 -16.568 1.00 0.83 H new ATOM 0 HA PHE A 34 4.980 22.730 -16.436 1.00 0.82 H new ATOM 0 HB2 PHE A 34 4.464 21.987 -18.580 1.00 0.94 H new ATOM 0 HB3 PHE A 34 3.576 20.590 -18.007 1.00 0.94 H new ATOM 0 HD1 PHE A 34 1.262 20.627 -17.994 1.00 1.02 H new ATOM 0 HD2 PHE A 34 3.362 24.333 -18.066 1.00 0.93 H new ATOM 0 HE1 PHE A 34 -0.861 21.824 -18.280 1.00 1.06 H new ATOM 0 HE2 PHE A 34 1.236 25.528 -18.358 1.00 0.97 H new ATOM 0 HZ PHE A 34 -0.878 24.274 -18.456 1.00 1.04 H new ATOM 503 N PHE A 35 3.275 23.083 -14.698 1.00 0.68 N ATOM 504 CA PHE A 35 2.217 23.361 -13.745 1.00 0.65 C ATOM 505 C PHE A 35 1.492 24.631 -14.162 1.00 0.66 C ATOM 506 O PHE A 35 2.089 25.534 -14.752 1.00 0.67 O ATOM 507 CB PHE A 35 2.771 23.489 -12.315 1.00 0.62 C ATOM 508 CG PHE A 35 3.232 24.871 -11.934 1.00 0.80 C ATOM 509 CD1 PHE A 35 4.391 25.408 -12.467 1.00 1.17 C ATOM 510 CD2 PHE A 35 2.500 25.632 -11.034 1.00 1.23 C ATOM 511 CE1 PHE A 35 4.817 26.672 -12.108 1.00 1.72 C ATOM 512 CE2 PHE A 35 2.919 26.896 -10.673 1.00 1.76 C ATOM 513 CZ PHE A 35 4.076 27.417 -11.213 1.00 1.96 C ATOM 0 H PHE A 35 3.971 23.823 -14.792 1.00 0.68 H new ATOM 0 HA PHE A 35 1.515 22.528 -13.743 1.00 0.65 H new ATOM 0 HB2 PHE A 35 2.000 23.173 -11.613 1.00 0.62 H new ATOM 0 HB3 PHE A 35 3.607 22.799 -12.202 1.00 0.62 H new ATOM 0 HD1 PHE A 35 4.970 24.831 -13.173 1.00 1.17 H new ATOM 0 HD2 PHE A 35 1.591 25.230 -10.611 1.00 1.23 H new ATOM 0 HE1 PHE A 35 5.727 27.076 -12.526 1.00 1.72 H new ATOM 0 HE2 PHE A 35 2.342 27.477 -9.969 1.00 1.76 H new ATOM 0 HZ PHE A 35 4.402 28.408 -10.935 1.00 1.96 H new ATOM 523 N HIS A 36 0.206 24.693 -13.889 1.00 0.72 N ATOM 524 CA HIS A 36 -0.567 25.876 -14.208 1.00 0.74 C ATOM 525 C HIS A 36 -0.925 26.585 -12.911 1.00 0.70 C ATOM 526 O HIS A 36 -1.358 25.941 -11.957 1.00 0.74 O ATOM 527 CB HIS A 36 -1.830 25.494 -14.986 1.00 0.84 C ATOM 528 CG HIS A 36 -2.335 26.576 -15.894 1.00 0.94 C ATOM 529 ND1 HIS A 36 -2.014 26.662 -17.233 1.00 1.06 N ATOM 530 CD2 HIS A 36 -3.171 27.616 -15.643 1.00 1.15 C ATOM 531 CE1 HIS A 36 -2.642 27.731 -17.738 1.00 1.12 C ATOM 532 NE2 HIS A 36 -3.360 28.342 -16.815 1.00 1.18 N ATOM 0 H HIS A 36 -0.325 23.942 -13.449 1.00 0.72 H new ATOM 0 HA HIS A 36 0.020 26.545 -14.838 1.00 0.74 H new ATOM 0 HB2 HIS A 36 -1.624 24.603 -15.579 1.00 0.84 H new ATOM 0 HB3 HIS A 36 -2.616 25.231 -14.278 1.00 0.84 H new ATOM 0 HD2 HIS A 36 -3.618 27.843 -14.686 1.00 1.15 H new ATOM 0 HE1 HIS A 36 -2.570 28.051 -18.767 1.00 1.12 H new ATOM 0 HE2 HIS A 36 -3.935 29.175 -16.936 1.00 1.18 H new ATOM 540 N PHE A 37 -0.729 27.897 -12.874 1.00 0.68 N ATOM 541 CA PHE A 37 -0.938 28.676 -11.648 1.00 0.67 C ATOM 542 C PHE A 37 -2.363 28.534 -11.100 1.00 0.73 C ATOM 543 O PHE A 37 -2.597 28.732 -9.912 1.00 0.75 O ATOM 544 CB PHE A 37 -0.611 30.151 -11.890 1.00 0.71 C ATOM 545 CG PHE A 37 0.866 30.439 -11.964 1.00 0.68 C ATOM 546 CD1 PHE A 37 1.483 30.691 -13.180 1.00 0.73 C ATOM 547 CD2 PHE A 37 1.636 30.460 -10.811 1.00 0.69 C ATOM 548 CE1 PHE A 37 2.841 30.959 -13.242 1.00 0.74 C ATOM 549 CE2 PHE A 37 2.992 30.726 -10.868 1.00 0.72 C ATOM 550 CZ PHE A 37 3.596 30.976 -12.086 1.00 0.73 C ATOM 0 H PHE A 37 -0.426 28.449 -13.676 1.00 0.68 H new ATOM 0 HA PHE A 37 -0.260 28.273 -10.896 1.00 0.67 H new ATOM 0 HB2 PHE A 37 -1.082 30.471 -12.820 1.00 0.71 H new ATOM 0 HB3 PHE A 37 -1.049 30.747 -11.090 1.00 0.71 H new ATOM 0 HD1 PHE A 37 0.899 30.678 -14.088 1.00 0.73 H new ATOM 0 HD2 PHE A 37 1.171 30.266 -9.856 1.00 0.69 H new ATOM 0 HE1 PHE A 37 3.309 31.155 -14.195 1.00 0.74 H new ATOM 0 HE2 PHE A 37 3.579 30.738 -9.961 1.00 0.72 H new ATOM 0 HZ PHE A 37 4.655 31.184 -12.133 1.00 0.73 H new ATOM 560 N SER A 38 -3.306 28.181 -11.967 1.00 0.80 N ATOM 561 CA SER A 38 -4.692 27.957 -11.555 1.00 0.90 C ATOM 562 C SER A 38 -4.836 26.698 -10.686 1.00 0.92 C ATOM 563 O SER A 38 -5.853 26.505 -10.015 1.00 1.07 O ATOM 564 CB SER A 38 -5.579 27.843 -12.793 1.00 0.98 C ATOM 565 OG SER A 38 -5.394 28.963 -13.642 1.00 1.63 O ATOM 0 H SER A 38 -3.137 28.043 -12.963 1.00 0.80 H new ATOM 0 HA SER A 38 -5.005 28.808 -10.950 1.00 0.90 H new ATOM 0 HB2 SER A 38 -5.343 26.927 -13.334 1.00 0.98 H new ATOM 0 HB3 SER A 38 -6.625 27.775 -12.493 1.00 0.98 H new ATOM 0 HG SER A 38 -5.968 28.874 -14.431 1.00 1.63 H new ATOM 571 N ASN A 39 -3.816 25.849 -10.702 1.00 0.82 N ATOM 572 CA ASN A 39 -3.811 24.633 -9.894 1.00 0.87 C ATOM 573 C ASN A 39 -2.892 24.815 -8.695 1.00 0.80 C ATOM 574 O ASN A 39 -2.607 23.872 -7.953 1.00 0.87 O ATOM 575 CB ASN A 39 -3.360 23.427 -10.721 1.00 0.92 C ATOM 576 CG ASN A 39 -4.383 23.010 -11.766 1.00 1.28 C ATOM 577 OD1 ASN A 39 -4.254 23.538 -12.974 1.00 2.07 O flip ATOM 578 ND2 ASN A 39 -5.282 22.216 -11.490 1.00 1.54 N flip ATOM 0 H ASN A 39 -2.978 25.980 -11.268 1.00 0.82 H new ATOM 0 HA ASN A 39 -4.827 24.446 -9.547 1.00 0.87 H new ATOM 0 HB2 ASN A 39 -2.418 23.664 -11.216 1.00 0.92 H new ATOM 0 HB3 ASN A 39 -3.167 22.587 -10.054 1.00 0.92 H new ATOM 0 HD21 ASN A 39 -5.350 21.830 -10.548 1.00 1.54 H new ATOM 0 HD22 ASN A 39 -5.959 21.944 -12.203 1.00 1.54 H new ATOM 585 N TYR A 40 -2.426 26.044 -8.518 1.00 0.72 N ATOM 586 CA TYR A 40 -1.546 26.391 -7.415 1.00 0.66 C ATOM 587 C TYR A 40 -2.364 26.902 -6.234 1.00 0.73 C ATOM 588 O TYR A 40 -3.172 27.820 -6.373 1.00 0.87 O ATOM 589 CB TYR A 40 -0.534 27.452 -7.873 1.00 0.65 C ATOM 590 CG TYR A 40 0.319 28.027 -6.766 1.00 0.59 C ATOM 591 CD1 TYR A 40 1.462 27.373 -6.329 1.00 0.55 C ATOM 592 CD2 TYR A 40 -0.023 29.227 -6.158 1.00 0.75 C ATOM 593 CE1 TYR A 40 2.241 27.901 -5.319 1.00 0.64 C ATOM 594 CE2 TYR A 40 0.753 29.759 -5.151 1.00 0.81 C ATOM 595 CZ TYR A 40 1.879 29.092 -4.734 1.00 0.74 C ATOM 596 OH TYR A 40 2.649 29.619 -3.732 1.00 0.91 O ATOM 0 H TYR A 40 -2.648 26.826 -9.135 1.00 0.72 H new ATOM 0 HA TYR A 40 -1.001 25.503 -7.096 1.00 0.66 H new ATOM 0 HB2 TYR A 40 0.120 27.011 -8.626 1.00 0.65 H new ATOM 0 HB3 TYR A 40 -1.074 28.265 -8.357 1.00 0.65 H new ATOM 0 HD1 TYR A 40 1.747 26.437 -6.786 1.00 0.55 H new ATOM 0 HD2 TYR A 40 -0.911 29.752 -6.479 1.00 0.75 H new ATOM 0 HE1 TYR A 40 3.129 27.382 -4.990 1.00 0.64 H new ATOM 0 HE2 TYR A 40 0.477 30.697 -4.692 1.00 0.81 H new ATOM 0 HH TYR A 40 2.256 30.464 -3.427 1.00 0.91 H new ATOM 606 N MET A 41 -2.154 26.306 -5.073 1.00 0.69 N ATOM 607 CA MET A 41 -2.894 26.695 -3.885 1.00 0.79 C ATOM 608 C MET A 41 -2.081 27.678 -3.055 1.00 0.77 C ATOM 609 O MET A 41 -1.148 27.287 -2.346 1.00 0.77 O ATOM 610 CB MET A 41 -3.248 25.464 -3.052 1.00 0.87 C ATOM 611 CG MET A 41 -4.170 25.765 -1.873 1.00 1.35 C ATOM 612 SD MET A 41 -4.465 24.336 -0.813 1.00 1.73 S ATOM 613 CE MET A 41 -5.225 23.204 -1.977 1.00 1.39 C ATOM 0 H MET A 41 -1.480 25.554 -4.928 1.00 0.69 H new ATOM 0 HA MET A 41 -3.818 27.182 -4.196 1.00 0.79 H new ATOM 0 HB2 MET A 41 -3.726 24.726 -3.696 1.00 0.87 H new ATOM 0 HB3 MET A 41 -2.329 25.013 -2.677 1.00 0.87 H new ATOM 0 HG2 MET A 41 -3.735 26.567 -1.277 1.00 1.35 H new ATOM 0 HG3 MET A 41 -5.124 26.131 -2.252 1.00 1.35 H new ATOM 0 HE1 MET A 41 -5.719 22.399 -1.432 1.00 1.39 H new ATOM 0 HE2 MET A 41 -5.960 23.739 -2.578 1.00 1.39 H new ATOM 0 HE3 MET A 41 -4.459 22.784 -2.629 1.00 1.39 H new ATOM 623 N GLY A 42 -2.427 28.950 -3.161 1.00 0.87 N ATOM 624 CA GLY A 42 -1.731 29.979 -2.417 1.00 0.91 C ATOM 625 C GLY A 42 -1.693 31.289 -3.175 1.00 0.92 C ATOM 626 O GLY A 42 -2.592 31.577 -3.966 1.00 1.05 O ATOM 0 H GLY A 42 -3.184 29.291 -3.754 1.00 0.87 H new ATOM 0 HA2 GLY A 42 -2.223 30.129 -1.456 1.00 0.91 H new ATOM 0 HA3 GLY A 42 -0.713 29.651 -2.207 1.00 0.91 H new ATOM 630 N ASN A 43 -0.658 32.081 -2.940 1.00 0.89 N ATOM 631 CA ASN A 43 -0.492 33.350 -3.639 1.00 0.91 C ATOM 632 C ASN A 43 0.615 33.223 -4.686 1.00 0.83 C ATOM 633 O ASN A 43 1.798 33.181 -4.345 1.00 0.83 O ATOM 634 CB ASN A 43 -0.159 34.467 -2.641 1.00 1.02 C ATOM 635 CG ASN A 43 -0.150 35.854 -3.269 1.00 1.48 C ATOM 636 OD1 ASN A 43 0.151 36.023 -4.451 1.00 2.14 O ATOM 637 ND2 ASN A 43 -0.484 36.858 -2.473 1.00 2.03 N ATOM 0 H ASN A 43 0.081 31.869 -2.270 1.00 0.89 H new ATOM 0 HA ASN A 43 -1.425 33.604 -4.141 1.00 0.91 H new ATOM 0 HB2 ASN A 43 -0.886 34.448 -1.829 1.00 1.02 H new ATOM 0 HB3 ASN A 43 0.817 34.270 -2.199 1.00 1.02 H new ATOM 0 HD21 ASN A 43 -0.498 37.812 -2.834 1.00 2.03 H new ATOM 0 HD22 ASN A 43 -0.727 36.677 -1.499 1.00 2.03 H new ATOM 644 N PRO A 44 0.239 33.144 -5.974 1.00 0.84 N ATOM 645 CA PRO A 44 1.191 32.938 -7.067 1.00 0.82 C ATOM 646 C PRO A 44 1.885 34.217 -7.525 1.00 0.88 C ATOM 647 O PRO A 44 2.995 34.174 -8.051 1.00 0.91 O ATOM 648 CB PRO A 44 0.309 32.389 -8.180 1.00 0.92 C ATOM 649 CG PRO A 44 -1.025 33.015 -7.952 1.00 1.01 C ATOM 650 CD PRO A 44 -1.153 33.227 -6.463 1.00 0.93 C ATOM 0 HA PRO A 44 2.010 32.284 -6.766 1.00 0.82 H new ATOM 0 HB2 PRO A 44 0.705 32.647 -9.162 1.00 0.92 H new ATOM 0 HB3 PRO A 44 0.248 31.302 -8.137 1.00 0.92 H new ATOM 0 HG2 PRO A 44 -1.105 33.962 -8.486 1.00 1.01 H new ATOM 0 HG3 PRO A 44 -1.823 32.372 -8.322 1.00 1.01 H new ATOM 0 HD2 PRO A 44 -1.601 34.194 -6.234 1.00 0.93 H new ATOM 0 HD3 PRO A 44 -1.784 32.467 -6.003 1.00 0.93 H new ATOM 658 N ASN A 45 1.236 35.354 -7.320 1.00 0.94 N ATOM 659 CA ASN A 45 1.777 36.632 -7.765 1.00 1.05 C ATOM 660 C ASN A 45 2.995 36.992 -6.920 1.00 1.04 C ATOM 661 O ASN A 45 3.894 37.708 -7.357 1.00 1.15 O ATOM 662 CB ASN A 45 0.696 37.710 -7.648 1.00 1.15 C ATOM 663 CG ASN A 45 1.010 38.989 -8.411 1.00 1.43 C ATOM 664 OD1 ASN A 45 2.162 39.382 -8.571 1.00 2.08 O ATOM 665 ND2 ASN A 45 -0.029 39.648 -8.895 1.00 1.88 N ATOM 0 H ASN A 45 0.334 35.419 -6.848 1.00 0.94 H new ATOM 0 HA ASN A 45 2.088 36.562 -8.807 1.00 1.05 H new ATOM 0 HB2 ASN A 45 -0.248 37.304 -8.013 1.00 1.15 H new ATOM 0 HB3 ASN A 45 0.553 37.953 -6.595 1.00 1.15 H new ATOM 0 HD21 ASN A 45 0.114 40.511 -9.420 1.00 1.88 H new ATOM 0 HD22 ASN A 45 -0.973 39.293 -8.744 1.00 1.88 H new ATOM 672 N TRP A 46 3.031 36.445 -5.716 1.00 0.98 N ATOM 673 CA TRP A 46 4.111 36.722 -4.782 1.00 1.04 C ATOM 674 C TRP A 46 5.152 35.609 -4.800 1.00 0.96 C ATOM 675 O TRP A 46 5.927 35.447 -3.855 1.00 1.02 O ATOM 676 CB TRP A 46 3.550 36.917 -3.373 1.00 1.10 C ATOM 677 CG TRP A 46 2.882 38.250 -3.188 1.00 1.28 C ATOM 678 CD1 TRP A 46 1.800 38.728 -3.869 1.00 1.30 C ATOM 679 CD2 TRP A 46 3.251 39.270 -2.254 1.00 1.56 C ATOM 680 NE1 TRP A 46 1.479 39.987 -3.421 1.00 1.52 N ATOM 681 CE2 TRP A 46 2.358 40.344 -2.430 1.00 1.67 C ATOM 682 CE3 TRP A 46 4.258 39.382 -1.294 1.00 1.80 C ATOM 683 CZ2 TRP A 46 2.435 41.509 -1.674 1.00 1.97 C ATOM 684 CZ3 TRP A 46 4.335 40.540 -0.543 1.00 2.13 C ATOM 685 CH2 TRP A 46 3.433 41.594 -0.741 1.00 2.18 C ATOM 0 H TRP A 46 2.322 35.804 -5.361 1.00 0.98 H new ATOM 0 HA TRP A 46 4.606 37.642 -5.092 1.00 1.04 H new ATOM 0 HB2 TRP A 46 2.833 36.124 -3.160 1.00 1.10 H new ATOM 0 HB3 TRP A 46 4.359 36.818 -2.649 1.00 1.10 H new ATOM 0 HD1 TRP A 46 1.273 38.195 -4.646 1.00 1.30 H new ATOM 0 HE1 TRP A 46 0.712 40.562 -3.769 1.00 1.52 H new ATOM 0 HE3 TRP A 46 4.964 38.579 -1.141 1.00 1.80 H new ATOM 0 HZ2 TRP A 46 1.733 42.317 -1.818 1.00 1.97 H new ATOM 0 HZ3 TRP A 46 5.104 40.634 0.210 1.00 2.13 H new ATOM 0 HH2 TRP A 46 3.527 42.490 -0.146 1.00 2.18 H new ATOM 696 N LEU A 47 5.164 34.847 -5.882 1.00 0.85 N ATOM 697 CA LEU A 47 6.181 33.835 -6.092 1.00 0.78 C ATOM 698 C LEU A 47 7.420 34.448 -6.738 1.00 0.82 C ATOM 699 O LEU A 47 7.323 35.423 -7.490 1.00 0.92 O ATOM 700 CB LEU A 47 5.625 32.704 -6.960 1.00 0.68 C ATOM 701 CG LEU A 47 4.988 31.550 -6.189 1.00 0.62 C ATOM 702 CD1 LEU A 47 4.277 30.585 -7.127 1.00 0.57 C ATOM 703 CD2 LEU A 47 6.061 30.816 -5.410 1.00 0.66 C ATOM 0 H LEU A 47 4.475 34.913 -6.631 1.00 0.85 H new ATOM 0 HA LEU A 47 6.470 33.423 -5.125 1.00 0.78 H new ATOM 0 HB2 LEU A 47 4.882 33.120 -7.640 1.00 0.68 H new ATOM 0 HB3 LEU A 47 6.433 32.308 -7.575 1.00 0.68 H new ATOM 0 HG LEU A 47 4.246 31.959 -5.504 1.00 0.62 H new ATOM 0 HD11 LEU A 47 3.834 29.775 -6.548 1.00 0.57 H new ATOM 0 HD12 LEU A 47 3.493 31.115 -7.668 1.00 0.57 H new ATOM 0 HD13 LEU A 47 4.994 30.173 -7.837 1.00 0.57 H new ATOM 0 HD21 LEU A 47 5.610 29.991 -4.858 1.00 0.66 H new ATOM 0 HD22 LEU A 47 6.809 30.425 -6.100 1.00 0.66 H new ATOM 0 HD23 LEU A 47 6.537 31.503 -4.711 1.00 0.66 H new ATOM 715 N GLU A 48 8.580 33.878 -6.427 1.00 0.81 N ATOM 716 CA GLU A 48 9.849 34.344 -6.967 1.00 0.89 C ATOM 717 C GLU A 48 10.648 33.160 -7.501 1.00 0.71 C ATOM 718 O GLU A 48 10.418 32.015 -7.103 1.00 0.62 O ATOM 719 CB GLU A 48 10.658 35.086 -5.894 1.00 1.15 C ATOM 720 CG GLU A 48 10.041 36.405 -5.449 1.00 1.48 C ATOM 721 CD GLU A 48 10.915 37.157 -4.460 1.00 1.86 C ATOM 722 OE1 GLU A 48 11.993 37.650 -4.855 1.00 2.35 O ATOM 723 OE2 GLU A 48 10.527 37.257 -3.274 1.00 2.13 O ATOM 0 H GLU A 48 8.665 33.082 -5.795 1.00 0.81 H new ATOM 0 HA GLU A 48 9.646 35.038 -7.782 1.00 0.89 H new ATOM 0 HB2 GLU A 48 10.768 34.438 -5.025 1.00 1.15 H new ATOM 0 HB3 GLU A 48 11.660 35.278 -6.278 1.00 1.15 H new ATOM 0 HG2 GLU A 48 9.866 37.032 -6.323 1.00 1.48 H new ATOM 0 HG3 GLU A 48 9.069 36.212 -4.995 1.00 1.48 H new ATOM 730 N LEU A 49 11.580 33.438 -8.399 1.00 0.75 N ATOM 731 CA LEU A 49 12.396 32.393 -9.002 1.00 0.67 C ATOM 732 C LEU A 49 13.389 31.846 -7.985 1.00 0.67 C ATOM 733 O LEU A 49 14.224 32.578 -7.461 1.00 0.73 O ATOM 734 CB LEU A 49 13.134 32.940 -10.229 1.00 0.76 C ATOM 735 CG LEU A 49 12.231 33.550 -11.308 1.00 0.85 C ATOM 736 CD1 LEU A 49 13.067 34.123 -12.440 1.00 1.40 C ATOM 737 CD2 LEU A 49 11.255 32.516 -11.850 1.00 1.11 C ATOM 0 H LEU A 49 11.791 34.380 -8.728 1.00 0.75 H new ATOM 0 HA LEU A 49 11.744 31.580 -9.322 1.00 0.67 H new ATOM 0 HB2 LEU A 49 13.844 33.698 -9.899 1.00 0.76 H new ATOM 0 HB3 LEU A 49 13.714 32.132 -10.676 1.00 0.76 H new ATOM 0 HG LEU A 49 11.658 34.356 -10.850 1.00 0.85 H new ATOM 0 HD11 LEU A 49 12.410 34.552 -13.197 1.00 1.40 H new ATOM 0 HD12 LEU A 49 13.725 34.899 -12.049 1.00 1.40 H new ATOM 0 HD13 LEU A 49 13.666 33.330 -12.887 1.00 1.40 H new ATOM 0 HD21 LEU A 49 10.626 32.974 -12.614 1.00 1.11 H new ATOM 0 HD22 LEU A 49 11.810 31.686 -12.287 1.00 1.11 H new ATOM 0 HD23 LEU A 49 10.629 32.146 -11.038 1.00 1.11 H new ATOM 749 N GLY A 50 13.290 30.555 -7.716 1.00 0.66 N ATOM 750 CA GLY A 50 14.153 29.930 -6.738 1.00 0.72 C ATOM 751 C GLY A 50 13.397 29.478 -5.505 1.00 0.69 C ATOM 752 O GLY A 50 13.935 28.745 -4.678 1.00 0.75 O ATOM 0 H GLY A 50 12.623 29.925 -8.161 1.00 0.66 H new ATOM 0 HA2 GLY A 50 14.649 29.072 -7.191 1.00 0.72 H new ATOM 0 HA3 GLY A 50 14.934 30.632 -6.445 1.00 0.72 H new ATOM 756 N GLN A 51 12.149 29.924 -5.385 1.00 0.62 N ATOM 757 CA GLN A 51 11.308 29.576 -4.242 1.00 0.60 C ATOM 758 C GLN A 51 10.998 28.083 -4.213 1.00 0.56 C ATOM 759 O GLN A 51 10.439 27.530 -5.169 1.00 0.53 O ATOM 760 CB GLN A 51 10.015 30.407 -4.273 1.00 0.59 C ATOM 761 CG GLN A 51 8.953 29.991 -3.253 1.00 0.60 C ATOM 762 CD GLN A 51 9.434 29.985 -1.812 1.00 0.70 C ATOM 763 OE1 GLN A 51 10.423 30.803 -1.499 1.00 1.06 O flip ATOM 764 NE2 GLN A 51 8.919 29.239 -0.983 1.00 0.87 N flip ATOM 0 H GLN A 51 11.696 30.530 -6.069 1.00 0.62 H new ATOM 0 HA GLN A 51 11.855 29.809 -3.328 1.00 0.60 H new ATOM 0 HB2 GLN A 51 10.269 31.453 -4.104 1.00 0.59 H new ATOM 0 HB3 GLN A 51 9.583 30.342 -5.272 1.00 0.59 H new ATOM 0 HG2 GLN A 51 8.102 30.667 -3.336 1.00 0.60 H new ATOM 0 HG3 GLN A 51 8.594 28.994 -3.507 1.00 0.60 H new ATOM 0 HE21 GLN A 51 8.157 28.620 -1.258 1.00 0.87 H new ATOM 0 HE22 GLN A 51 9.254 29.239 -0.019 1.00 0.87 H new ATOM 773 N GLU A 52 11.399 27.442 -3.121 1.00 0.57 N ATOM 774 CA GLU A 52 11.145 26.028 -2.908 1.00 0.55 C ATOM 775 C GLU A 52 9.648 25.749 -2.788 1.00 0.50 C ATOM 776 O GLU A 52 8.942 26.401 -2.017 1.00 0.55 O ATOM 777 CB GLU A 52 11.869 25.544 -1.646 1.00 0.63 C ATOM 778 CG GLU A 52 13.381 25.732 -1.693 1.00 1.15 C ATOM 779 CD GLU A 52 13.859 27.003 -1.007 1.00 1.94 C ATOM 780 OE1 GLU A 52 14.776 26.908 -0.157 1.00 2.44 O ATOM 781 OE2 GLU A 52 13.328 28.094 -1.309 1.00 2.51 O ATOM 0 H GLU A 52 11.909 27.891 -2.360 1.00 0.57 H new ATOM 0 HA GLU A 52 11.526 25.484 -3.772 1.00 0.55 H new ATOM 0 HB2 GLU A 52 11.472 26.079 -0.783 1.00 0.63 H new ATOM 0 HB3 GLU A 52 11.648 24.487 -1.495 1.00 0.63 H new ATOM 0 HG2 GLU A 52 13.860 24.873 -1.223 1.00 1.15 H new ATOM 0 HG3 GLU A 52 13.705 25.747 -2.734 1.00 1.15 H new ATOM 788 N VAL A 53 9.167 24.783 -3.561 1.00 0.43 N ATOM 789 CA VAL A 53 7.761 24.400 -3.526 1.00 0.40 C ATOM 790 C VAL A 53 7.612 22.881 -3.645 1.00 0.41 C ATOM 791 O VAL A 53 8.445 22.207 -4.257 1.00 0.44 O ATOM 792 CB VAL A 53 6.940 25.089 -4.653 1.00 0.37 C ATOM 793 CG1 VAL A 53 6.918 26.607 -4.486 1.00 0.41 C ATOM 794 CG2 VAL A 53 7.487 24.716 -6.024 1.00 0.37 C ATOM 0 H VAL A 53 9.732 24.249 -4.222 1.00 0.43 H new ATOM 0 HA VAL A 53 7.367 24.733 -2.566 1.00 0.40 H new ATOM 0 HB VAL A 53 5.914 24.729 -4.575 1.00 0.37 H new ATOM 0 HG11 VAL A 53 6.335 27.053 -5.292 1.00 0.41 H new ATOM 0 HG12 VAL A 53 6.466 26.861 -3.527 1.00 0.41 H new ATOM 0 HG13 VAL A 53 7.937 26.992 -4.520 1.00 0.41 H new ATOM 0 HG21 VAL A 53 6.898 25.209 -6.797 1.00 0.37 H new ATOM 0 HG22 VAL A 53 8.526 25.036 -6.100 1.00 0.37 H new ATOM 0 HG23 VAL A 53 7.429 23.636 -6.157 1.00 0.37 H new ATOM 804 N GLU A 54 6.564 22.342 -3.045 1.00 0.47 N ATOM 805 CA GLU A 54 6.281 20.918 -3.149 1.00 0.54 C ATOM 806 C GLU A 54 4.873 20.707 -3.685 1.00 0.52 C ATOM 807 O GLU A 54 3.988 21.540 -3.475 1.00 0.54 O ATOM 808 CB GLU A 54 6.463 20.212 -1.799 1.00 0.72 C ATOM 809 CG GLU A 54 5.656 20.819 -0.662 1.00 0.81 C ATOM 810 CD GLU A 54 5.841 20.085 0.652 1.00 1.05 C ATOM 811 OE1 GLU A 54 6.834 19.332 0.792 1.00 1.49 O ATOM 812 OE2 GLU A 54 5.001 20.273 1.558 1.00 1.30 O ATOM 0 H GLU A 54 5.895 22.867 -2.481 1.00 0.47 H new ATOM 0 HA GLU A 54 6.994 20.477 -3.846 1.00 0.54 H new ATOM 0 HB2 GLU A 54 6.183 19.164 -1.909 1.00 0.72 H new ATOM 0 HB3 GLU A 54 7.519 20.233 -1.531 1.00 0.72 H new ATOM 0 HG2 GLU A 54 5.946 21.862 -0.534 1.00 0.81 H new ATOM 0 HG3 GLU A 54 4.599 20.813 -0.930 1.00 0.81 H new ATOM 819 N TYR A 55 4.669 19.604 -4.389 1.00 0.54 N ATOM 820 CA TYR A 55 3.407 19.370 -5.070 1.00 0.58 C ATOM 821 C TYR A 55 3.256 17.905 -5.470 1.00 0.64 C ATOM 822 O TYR A 55 4.142 17.085 -5.219 1.00 0.66 O ATOM 823 CB TYR A 55 3.312 20.273 -6.307 1.00 0.55 C ATOM 824 CG TYR A 55 4.339 19.985 -7.378 1.00 0.52 C ATOM 825 CD1 TYR A 55 5.696 20.151 -7.140 1.00 0.54 C ATOM 826 CD2 TYR A 55 3.941 19.561 -8.633 1.00 0.63 C ATOM 827 CE1 TYR A 55 6.628 19.900 -8.124 1.00 0.56 C ATOM 828 CE2 TYR A 55 4.865 19.307 -9.627 1.00 0.65 C ATOM 829 CZ TYR A 55 6.208 19.477 -9.364 1.00 0.57 C ATOM 830 OH TYR A 55 7.136 19.231 -10.347 1.00 0.63 O ATOM 0 H TYR A 55 5.358 18.861 -4.503 1.00 0.54 H new ATOM 0 HA TYR A 55 2.596 19.611 -4.383 1.00 0.58 H new ATOM 0 HB2 TYR A 55 2.317 20.170 -6.740 1.00 0.55 H new ATOM 0 HB3 TYR A 55 3.417 21.311 -5.992 1.00 0.55 H new ATOM 0 HD1 TYR A 55 6.028 20.483 -6.167 1.00 0.54 H new ATOM 0 HD2 TYR A 55 2.889 19.426 -8.839 1.00 0.63 H new ATOM 0 HE1 TYR A 55 7.681 20.034 -7.923 1.00 0.56 H new ATOM 0 HE2 TYR A 55 4.539 18.978 -10.602 1.00 0.65 H new ATOM 0 HH TYR A 55 7.648 18.427 -10.120 1.00 0.63 H new ATOM 840 N THR A 56 2.135 17.585 -6.092 1.00 0.72 N ATOM 841 CA THR A 56 1.864 16.230 -6.539 1.00 0.82 C ATOM 842 C THR A 56 1.459 16.217 -8.012 1.00 0.85 C ATOM 843 O THR A 56 1.173 17.264 -8.596 1.00 0.85 O ATOM 844 CB THR A 56 0.759 15.575 -5.682 1.00 0.88 C ATOM 845 OG1 THR A 56 -0.281 16.526 -5.405 1.00 0.84 O ATOM 846 CG2 THR A 56 1.326 15.033 -4.376 1.00 0.94 C ATOM 0 H THR A 56 1.392 18.252 -6.300 1.00 0.72 H new ATOM 0 HA THR A 56 2.781 15.652 -6.422 1.00 0.82 H new ATOM 0 HB THR A 56 0.344 14.741 -6.247 1.00 0.88 H new ATOM 0 HG1 THR A 56 -0.977 16.100 -4.863 1.00 0.84 H new ATOM 0 HG21 THR A 56 0.525 14.578 -3.793 1.00 0.94 H new ATOM 0 HG22 THR A 56 2.088 14.284 -4.593 1.00 0.94 H new ATOM 0 HG23 THR A 56 1.771 15.849 -3.806 1.00 0.94 H new ATOM 854 N LEU A 57 1.446 15.034 -8.608 1.00 0.96 N ATOM 855 CA LEU A 57 1.119 14.895 -10.020 1.00 1.03 C ATOM 856 C LEU A 57 -0.260 14.286 -10.201 1.00 1.12 C ATOM 857 O LEU A 57 -0.687 13.451 -9.407 1.00 1.19 O ATOM 858 CB LEU A 57 2.158 14.029 -10.731 1.00 1.09 C ATOM 859 CG LEU A 57 3.564 14.625 -10.804 1.00 1.04 C ATOM 860 CD1 LEU A 57 4.524 13.631 -11.435 1.00 1.13 C ATOM 861 CD2 LEU A 57 3.552 15.923 -11.591 1.00 1.03 C ATOM 0 H LEU A 57 1.658 14.155 -8.136 1.00 0.96 H new ATOM 0 HA LEU A 57 1.123 15.892 -10.460 1.00 1.03 H new ATOM 0 HB2 LEU A 57 2.215 13.067 -10.222 1.00 1.09 H new ATOM 0 HB3 LEU A 57 1.811 13.833 -11.746 1.00 1.09 H new ATOM 0 HG LEU A 57 3.902 14.841 -9.791 1.00 1.04 H new ATOM 0 HD11 LEU A 57 5.522 14.068 -11.481 1.00 1.13 H new ATOM 0 HD12 LEU A 57 4.553 12.722 -10.834 1.00 1.13 H new ATOM 0 HD13 LEU A 57 4.187 13.389 -12.443 1.00 1.13 H new ATOM 0 HD21 LEU A 57 4.561 16.333 -11.632 1.00 1.03 H new ATOM 0 HD22 LEU A 57 3.196 15.731 -12.603 1.00 1.03 H new ATOM 0 HD23 LEU A 57 2.890 16.638 -11.103 1.00 1.03 H new ATOM 873 N ALA A 58 -0.937 14.694 -11.266 1.00 1.17 N ATOM 874 CA ALA A 58 -2.275 14.191 -11.575 1.00 1.30 C ATOM 875 C ALA A 58 -2.192 12.923 -12.435 1.00 1.40 C ATOM 876 O ALA A 58 -3.085 12.627 -13.229 1.00 2.04 O ATOM 877 CB ALA A 58 -3.081 15.272 -12.285 1.00 1.33 C ATOM 0 H ALA A 58 -0.582 15.376 -11.936 1.00 1.17 H new ATOM 0 HA ALA A 58 -2.778 13.932 -10.643 1.00 1.30 H new ATOM 0 HB1 ALA A 58 -4.077 14.892 -12.513 1.00 1.33 H new ATOM 0 HB2 ALA A 58 -3.165 16.146 -11.640 1.00 1.33 H new ATOM 0 HB3 ALA A 58 -2.578 15.551 -13.211 1.00 1.33 H new ATOM 1026 N LEU A 70 0.502 16.533 -18.529 1.00 1.49 N ATOM 1027 CA LEU A 70 -0.679 17.091 -17.900 1.00 1.50 C ATOM 1028 C LEU A 70 -0.258 18.054 -16.793 1.00 1.25 C ATOM 1029 O LEU A 70 0.849 17.938 -16.262 1.00 1.15 O ATOM 1030 CB LEU A 70 -1.582 15.963 -17.360 1.00 1.71 C ATOM 1031 CG LEU A 70 -0.870 14.793 -16.660 1.00 1.88 C ATOM 1032 CD1 LEU A 70 -0.332 15.203 -15.300 1.00 2.30 C ATOM 1033 CD2 LEU A 70 -1.819 13.615 -16.514 1.00 2.29 C ATOM 0 HA LEU A 70 -1.259 17.648 -18.636 1.00 1.50 H new ATOM 0 HB2 LEU A 70 -2.292 16.400 -16.658 1.00 1.71 H new ATOM 0 HB3 LEU A 70 -2.162 15.562 -18.191 1.00 1.71 H new ATOM 0 HG LEU A 70 -0.023 14.498 -17.280 1.00 1.88 H new ATOM 0 HD11 LEU A 70 0.165 14.352 -14.834 1.00 2.30 H new ATOM 0 HD12 LEU A 70 0.382 16.018 -15.422 1.00 2.30 H new ATOM 0 HD13 LEU A 70 -1.156 15.534 -14.667 1.00 2.30 H new ATOM 0 HD21 LEU A 70 -1.304 12.793 -16.017 1.00 2.29 H new ATOM 0 HD22 LEU A 70 -2.682 13.915 -15.920 1.00 2.29 H new ATOM 0 HD23 LEU A 70 -2.152 13.292 -17.500 1.00 2.29 H new ATOM 1045 N PRO A 71 -1.107 19.034 -16.454 1.00 1.22 N ATOM 1046 CA PRO A 71 -0.798 19.997 -15.399 1.00 1.05 C ATOM 1047 C PRO A 71 -0.698 19.339 -14.027 1.00 0.97 C ATOM 1048 O PRO A 71 -1.396 18.366 -13.733 1.00 1.14 O ATOM 1049 CB PRO A 71 -1.977 20.972 -15.431 1.00 1.18 C ATOM 1050 CG PRO A 71 -3.083 20.216 -16.084 1.00 1.38 C ATOM 1051 CD PRO A 71 -2.423 19.289 -17.067 1.00 1.43 C ATOM 0 HA PRO A 71 0.168 20.475 -15.564 1.00 1.05 H new ATOM 0 HB2 PRO A 71 -2.255 21.289 -14.426 1.00 1.18 H new ATOM 0 HB3 PRO A 71 -1.729 21.873 -15.992 1.00 1.18 H new ATOM 0 HG2 PRO A 71 -3.662 19.658 -15.349 1.00 1.38 H new ATOM 0 HG3 PRO A 71 -3.774 20.892 -16.588 1.00 1.38 H new ATOM 0 HD2 PRO A 71 -2.992 18.369 -17.198 1.00 1.43 H new ATOM 0 HD3 PRO A 71 -2.327 19.747 -18.051 1.00 1.43 H new ATOM 1059 N ALA A 72 0.179 19.872 -13.197 1.00 0.80 N ATOM 1060 CA ALA A 72 0.347 19.381 -11.843 1.00 0.74 C ATOM 1061 C ALA A 72 -0.598 20.109 -10.900 1.00 0.72 C ATOM 1062 O ALA A 72 -0.855 21.302 -11.076 1.00 0.82 O ATOM 1063 CB ALA A 72 1.786 19.561 -11.404 1.00 0.70 C ATOM 0 H ALA A 72 0.790 20.651 -13.440 1.00 0.80 H new ATOM 0 HA ALA A 72 0.106 18.318 -11.816 1.00 0.74 H new ATOM 0 HB1 ALA A 72 1.905 19.190 -10.386 1.00 0.70 H new ATOM 0 HB2 ALA A 72 2.443 19.004 -12.072 1.00 0.70 H new ATOM 0 HB3 ALA A 72 2.047 20.619 -11.438 1.00 0.70 H new ATOM 1069 N GLU A 73 -1.106 19.398 -9.905 1.00 0.74 N ATOM 1070 CA GLU A 73 -2.079 19.973 -8.993 1.00 0.77 C ATOM 1071 C GLU A 73 -1.580 19.904 -7.553 1.00 0.69 C ATOM 1072 O GLU A 73 -0.643 19.158 -7.244 1.00 0.71 O ATOM 1073 CB GLU A 73 -3.427 19.254 -9.114 1.00 0.94 C ATOM 1074 CG GLU A 73 -3.403 17.808 -8.644 1.00 1.28 C ATOM 1075 CD GLU A 73 -4.793 17.266 -8.392 1.00 1.84 C ATOM 1076 OE1 GLU A 73 -5.383 17.607 -7.347 1.00 2.30 O ATOM 1077 OE2 GLU A 73 -5.305 16.495 -9.232 1.00 2.28 O ATOM 0 H GLU A 73 -0.861 18.427 -9.710 1.00 0.74 H new ATOM 0 HA GLU A 73 -2.214 21.020 -9.265 1.00 0.77 H new ATOM 0 HB2 GLU A 73 -4.172 19.801 -8.535 1.00 0.94 H new ATOM 0 HB3 GLU A 73 -3.749 19.281 -10.155 1.00 0.94 H new ATOM 0 HG2 GLU A 73 -2.905 17.192 -9.393 1.00 1.28 H new ATOM 0 HG3 GLU A 73 -2.815 17.735 -7.729 1.00 1.28 H new ATOM 1084 N ASN A 74 -2.217 20.688 -6.685 1.00 0.68 N ATOM 1085 CA ASN A 74 -1.882 20.724 -5.259 1.00 0.69 C ATOM 1086 C ASN A 74 -0.443 21.195 -5.058 1.00 0.59 C ATOM 1087 O ASN A 74 0.384 20.493 -4.478 1.00 0.66 O ATOM 1088 CB ASN A 74 -2.090 19.349 -4.611 1.00 0.81 C ATOM 1089 CG ASN A 74 -1.925 19.378 -3.099 1.00 1.39 C ATOM 1090 OD1 ASN A 74 -2.232 20.375 -2.443 1.00 1.81 O ATOM 1091 ND2 ASN A 74 -1.439 18.279 -2.536 1.00 2.01 N ATOM 0 H ASN A 74 -2.978 21.315 -6.947 1.00 0.68 H new ATOM 0 HA ASN A 74 -2.552 21.434 -4.773 1.00 0.69 H new ATOM 0 HB2 ASN A 74 -3.088 18.984 -4.856 1.00 0.81 H new ATOM 0 HB3 ASN A 74 -1.379 18.641 -5.036 1.00 0.81 H new ATOM 0 HD21 ASN A 74 -1.308 18.239 -1.525 1.00 2.01 H new ATOM 0 HD22 ASN A 74 -1.197 17.474 -3.114 1.00 2.01 H new ATOM 1098 N VAL A 75 -0.148 22.382 -5.568 1.00 0.66 N ATOM 1099 CA VAL A 75 1.175 22.971 -5.411 1.00 0.58 C ATOM 1100 C VAL A 75 1.200 23.869 -4.178 1.00 0.59 C ATOM 1101 O VAL A 75 0.401 24.800 -4.063 1.00 0.64 O ATOM 1102 CB VAL A 75 1.593 23.789 -6.655 1.00 0.56 C ATOM 1103 CG1 VAL A 75 3.046 24.230 -6.544 1.00 0.72 C ATOM 1104 CG2 VAL A 75 1.375 22.983 -7.928 1.00 0.80 C ATOM 0 H VAL A 75 -0.806 22.957 -6.094 1.00 0.66 H new ATOM 0 HA VAL A 75 1.887 22.154 -5.292 1.00 0.58 H new ATOM 0 HB VAL A 75 0.966 24.680 -6.703 1.00 0.56 H new ATOM 0 HG11 VAL A 75 3.321 24.804 -7.429 1.00 0.72 H new ATOM 0 HG12 VAL A 75 3.171 24.850 -5.656 1.00 0.72 H new ATOM 0 HG13 VAL A 75 3.688 23.352 -6.467 1.00 0.72 H new ATOM 0 HG21 VAL A 75 1.675 23.577 -8.791 1.00 0.80 H new ATOM 0 HG22 VAL A 75 1.973 22.072 -7.889 1.00 0.80 H new ATOM 0 HG23 VAL A 75 0.321 22.722 -8.017 1.00 0.80 H new ATOM 1114 N ARG A 76 2.105 23.574 -3.254 1.00 0.58 N ATOM 1115 CA ARG A 76 2.207 24.321 -2.005 1.00 0.62 C ATOM 1116 C ARG A 76 3.623 24.865 -1.833 1.00 0.55 C ATOM 1117 O ARG A 76 4.585 24.241 -2.277 1.00 0.52 O ATOM 1118 CB ARG A 76 1.851 23.412 -0.820 1.00 0.73 C ATOM 1119 CG ARG A 76 0.498 22.727 -0.961 1.00 1.28 C ATOM 1120 CD ARG A 76 -0.657 23.708 -0.816 1.00 1.58 C ATOM 1121 NE ARG A 76 -0.974 23.995 0.586 1.00 2.10 N ATOM 1122 CZ ARG A 76 -1.399 25.180 1.033 1.00 2.75 C ATOM 1123 NH1 ARG A 76 -1.454 26.227 0.218 1.00 3.11 N ATOM 1124 NH2 ARG A 76 -1.751 25.324 2.308 1.00 3.51 N ATOM 0 H ARG A 76 2.783 22.818 -3.346 1.00 0.58 H new ATOM 0 HA ARG A 76 1.508 25.157 -2.037 1.00 0.62 H new ATOM 0 HB2 ARG A 76 2.624 22.651 -0.711 1.00 0.73 H new ATOM 0 HB3 ARG A 76 1.855 24.004 0.095 1.00 0.73 H new ATOM 0 HG2 ARG A 76 0.439 22.239 -1.934 1.00 1.28 H new ATOM 0 HG3 ARG A 76 0.407 21.946 -0.206 1.00 1.28 H new ATOM 0 HD2 ARG A 76 -0.407 24.638 -1.327 1.00 1.58 H new ATOM 0 HD3 ARG A 76 -1.540 23.301 -1.309 1.00 1.58 H new ATOM 0 HE ARG A 76 -0.863 23.241 1.264 1.00 2.10 H new ATOM 0 HH11 ARG A 76 -1.171 26.130 -0.757 1.00 3.11 H new ATOM 0 HH12 ARG A 76 -1.780 27.128 0.567 1.00 3.11 H new ATOM 0 HH21 ARG A 76 -1.696 24.529 2.945 1.00 3.51 H new ATOM 0 HH22 ARG A 76 -2.075 26.229 2.648 1.00 3.51 H new ATOM 1138 N MET A 77 3.749 26.025 -1.196 1.00 0.63 N ATOM 1139 CA MET A 77 5.064 26.609 -0.938 1.00 0.60 C ATOM 1140 C MET A 77 5.800 25.808 0.118 1.00 0.70 C ATOM 1141 O MET A 77 5.181 25.157 0.965 1.00 0.91 O ATOM 1142 CB MET A 77 4.961 28.065 -0.482 1.00 0.72 C ATOM 1143 CG MET A 77 4.762 29.080 -1.599 1.00 0.80 C ATOM 1144 SD MET A 77 4.657 30.766 -0.954 1.00 1.12 S ATOM 1145 CE MET A 77 4.558 31.734 -2.455 1.00 0.86 C ATOM 0 H MET A 77 2.964 26.577 -0.851 1.00 0.63 H new ATOM 0 HA MET A 77 5.617 26.581 -1.877 1.00 0.60 H new ATOM 0 HB2 MET A 77 4.131 28.152 0.219 1.00 0.72 H new ATOM 0 HB3 MET A 77 5.868 28.323 0.065 1.00 0.72 H new ATOM 0 HG2 MET A 77 5.589 29.011 -2.306 1.00 0.80 H new ATOM 0 HG3 MET A 77 3.851 28.843 -2.149 1.00 0.80 H new ATOM 0 HE1 MET A 77 5.410 32.411 -2.508 1.00 0.86 H new ATOM 0 HE2 MET A 77 4.569 31.069 -3.318 1.00 0.86 H new ATOM 0 HE3 MET A 77 3.634 32.313 -2.454 1.00 0.86 H new ATOM 1155 N LEU A 78 7.117 25.868 0.076 1.00 0.65 N ATOM 1156 CA LEU A 78 7.938 25.099 0.986 1.00 0.83 C ATOM 1157 C LEU A 78 8.905 26.020 1.722 1.00 0.83 C ATOM 1158 O LEU A 78 9.369 27.004 1.155 1.00 0.93 O ATOM 1159 CB LEU A 78 8.723 24.039 0.208 1.00 0.99 C ATOM 1160 CG LEU A 78 9.462 23.019 1.061 1.00 1.05 C ATOM 1161 CD1 LEU A 78 8.489 22.003 1.636 1.00 1.49 C ATOM 1162 CD2 LEU A 78 10.532 22.334 0.237 1.00 1.67 C ATOM 0 H LEU A 78 7.641 26.444 -0.582 1.00 0.65 H new ATOM 0 HA LEU A 78 7.294 24.606 1.714 1.00 0.83 H new ATOM 0 HB2 LEU A 78 8.033 23.508 -0.447 1.00 0.99 H new ATOM 0 HB3 LEU A 78 9.446 24.544 -0.433 1.00 0.99 H new ATOM 0 HG LEU A 78 9.942 23.535 1.893 1.00 1.05 H new ATOM 0 HD11 LEU A 78 9.034 21.281 2.244 1.00 1.49 H new ATOM 0 HD12 LEU A 78 7.752 22.515 2.255 1.00 1.49 H new ATOM 0 HD13 LEU A 78 7.982 21.484 0.823 1.00 1.49 H new ATOM 0 HD21 LEU A 78 11.056 21.605 0.855 1.00 1.67 H new ATOM 0 HD22 LEU A 78 10.070 21.826 -0.610 1.00 1.67 H new ATOM 0 HD23 LEU A 78 11.241 23.077 -0.129 1.00 1.67 H new ATOM 1174 N PRO A 79 9.194 25.741 3.002 1.00 1.15 N ATOM 1175 CA PRO A 79 10.195 26.494 3.759 1.00 1.27 C ATOM 1176 C PRO A 79 11.587 26.374 3.142 1.00 1.13 C ATOM 1177 O PRO A 79 11.968 25.313 2.637 1.00 1.59 O ATOM 1178 CB PRO A 79 10.158 25.857 5.152 1.00 1.97 C ATOM 1179 CG PRO A 79 9.538 24.518 4.949 1.00 2.15 C ATOM 1180 CD PRO A 79 8.564 24.692 3.822 1.00 1.65 C ATOM 0 HA PRO A 79 9.980 27.562 3.772 1.00 1.27 H new ATOM 0 HB2 PRO A 79 11.160 25.768 5.572 1.00 1.97 H new ATOM 0 HB3 PRO A 79 9.574 26.461 5.846 1.00 1.97 H new ATOM 0 HG2 PRO A 79 10.292 23.770 4.704 1.00 2.15 H new ATOM 0 HG3 PRO A 79 9.034 24.178 5.854 1.00 2.15 H new ATOM 0 HD2 PRO A 79 8.427 23.768 3.260 1.00 1.65 H new ATOM 0 HD3 PRO A 79 7.581 24.996 4.181 1.00 1.65 H new ATOM 1188 N LYS A 80 12.337 27.469 3.189 1.00 1.09 N ATOM 1189 CA LYS A 80 13.649 27.549 2.571 1.00 1.37 C ATOM 1190 C LYS A 80 14.634 26.562 3.197 1.00 1.18 C ATOM 1191 O LYS A 80 14.444 26.118 4.335 1.00 1.19 O ATOM 1192 CB LYS A 80 14.178 28.981 2.701 1.00 1.96 C ATOM 1193 CG LYS A 80 15.522 29.206 2.038 1.00 2.65 C ATOM 1194 CD LYS A 80 16.065 30.610 2.276 1.00 3.44 C ATOM 1195 CE LYS A 80 15.208 31.688 1.620 1.00 4.04 C ATOM 1196 NZ LYS A 80 14.021 32.057 2.441 1.00 4.61 N ATOM 0 H LYS A 80 12.049 28.327 3.659 1.00 1.09 H new ATOM 0 HA LYS A 80 13.550 27.282 1.519 1.00 1.37 H new ATOM 0 HB2 LYS A 80 13.451 29.667 2.266 1.00 1.96 H new ATOM 0 HB3 LYS A 80 14.260 29.232 3.758 1.00 1.96 H new ATOM 0 HG2 LYS A 80 16.237 28.475 2.416 1.00 2.65 H new ATOM 0 HG3 LYS A 80 15.427 29.034 0.966 1.00 2.65 H new ATOM 0 HD2 LYS A 80 16.120 30.797 3.348 1.00 3.44 H new ATOM 0 HD3 LYS A 80 17.082 30.673 1.888 1.00 3.44 H new ATOM 0 HE2 LYS A 80 15.817 32.576 1.449 1.00 4.04 H new ATOM 0 HE3 LYS A 80 14.874 31.337 0.643 1.00 4.04 H new ATOM 0 HZ1 LYS A 80 13.154 31.759 1.951 1.00 4.61 H new ATOM 0 HZ2 LYS A 80 14.077 31.583 3.365 1.00 4.61 H new ATOM 0 HZ3 LYS A 80 14.002 33.087 2.581 1.00 4.61 H new ATOM 1210 N ASN A 81 15.667 26.212 2.423 1.00 1.26 N ATOM 1211 CA ASN A 81 16.778 25.379 2.893 1.00 1.35 C ATOM 1212 C ASN A 81 16.367 23.925 3.040 1.00 1.23 C ATOM 1213 O ASN A 81 16.983 23.165 3.783 1.00 1.43 O ATOM 1214 CB ASN A 81 17.354 25.905 4.214 1.00 1.57 C ATOM 1215 CG ASN A 81 18.462 26.921 4.005 1.00 2.26 C ATOM 1216 OD1 ASN A 81 18.214 28.120 3.882 1.00 2.84 O ATOM 1217 ND2 ASN A 81 19.696 26.444 3.972 1.00 2.81 N ATOM 0 H ASN A 81 15.756 26.500 1.449 1.00 1.26 H new ATOM 0 HA ASN A 81 17.557 25.435 2.133 1.00 1.35 H new ATOM 0 HB2 ASN A 81 16.555 26.360 4.799 1.00 1.57 H new ATOM 0 HB3 ASN A 81 17.739 25.068 4.797 1.00 1.57 H new ATOM 0 HD21 ASN A 81 20.484 27.078 3.841 1.00 2.81 H new ATOM 0 HD22 ASN A 81 19.859 25.443 4.078 1.00 2.81 H new ATOM 1224 N SER A 82 15.338 23.535 2.305 1.00 1.01 N ATOM 1225 CA SER A 82 14.903 22.149 2.287 1.00 1.03 C ATOM 1226 C SER A 82 15.497 21.425 1.077 1.00 0.96 C ATOM 1227 O SER A 82 15.141 20.280 0.782 1.00 1.12 O ATOM 1228 CB SER A 82 13.374 22.081 2.269 1.00 1.08 C ATOM 1229 OG SER A 82 12.917 20.739 2.312 1.00 1.70 O ATOM 0 H SER A 82 14.789 24.159 1.713 1.00 1.01 H new ATOM 0 HA SER A 82 15.258 21.651 3.189 1.00 1.03 H new ATOM 0 HB2 SER A 82 12.973 22.631 3.120 1.00 1.08 H new ATOM 0 HB3 SER A 82 12.997 22.567 1.369 1.00 1.08 H new ATOM 0 HG SER A 82 13.465 20.188 1.715 1.00 1.70 H new ATOM 1235 N ILE A 83 16.409 22.097 0.384 1.00 0.83 N ATOM 1236 CA ILE A 83 17.050 21.529 -0.795 1.00 0.77 C ATOM 1237 C ILE A 83 18.507 21.193 -0.476 1.00 0.76 C ATOM 1238 O ILE A 83 19.214 22.003 0.126 1.00 0.78 O ATOM 1239 CB ILE A 83 17.009 22.507 -1.998 1.00 0.76 C ATOM 1240 CG1 ILE A 83 15.615 23.126 -2.165 1.00 0.92 C ATOM 1241 CG2 ILE A 83 17.431 21.806 -3.279 1.00 0.79 C ATOM 1242 CD1 ILE A 83 14.483 22.124 -2.254 1.00 0.69 C ATOM 0 H ILE A 83 16.722 23.039 0.620 1.00 0.83 H new ATOM 0 HA ILE A 83 16.502 20.627 -1.068 1.00 0.77 H new ATOM 0 HB ILE A 83 17.715 23.311 -1.792 1.00 0.76 H new ATOM 0 HG12 ILE A 83 15.426 23.793 -1.324 1.00 0.92 H new ATOM 0 HG13 ILE A 83 15.611 23.739 -3.066 1.00 0.92 H new ATOM 0 HG21 ILE A 83 17.394 22.512 -4.109 1.00 0.79 H new ATOM 0 HG22 ILE A 83 18.447 21.428 -3.169 1.00 0.79 H new ATOM 0 HG23 ILE A 83 16.754 20.975 -3.479 1.00 0.79 H new ATOM 0 HD11 ILE A 83 13.537 22.653 -2.371 1.00 0.69 H new ATOM 0 HD12 ILE A 83 14.642 21.471 -3.112 1.00 0.69 H new ATOM 0 HD13 ILE A 83 14.454 21.526 -1.343 1.00 0.69 H new ATOM 1254 N PRO A 84 18.968 19.989 -0.849 1.00 0.82 N ATOM 1255 CA PRO A 84 20.355 19.567 -0.618 1.00 0.89 C ATOM 1256 C PRO A 84 21.353 20.323 -1.494 1.00 0.83 C ATOM 1257 O PRO A 84 21.031 20.739 -2.611 1.00 0.82 O ATOM 1258 CB PRO A 84 20.334 18.086 -0.994 1.00 1.03 C ATOM 1259 CG PRO A 84 19.234 17.979 -1.991 1.00 1.03 C ATOM 1260 CD PRO A 84 18.180 18.937 -1.524 1.00 0.91 C ATOM 0 HA PRO A 84 20.675 19.763 0.405 1.00 0.89 H new ATOM 0 HB2 PRO A 84 21.287 17.769 -1.417 1.00 1.03 H new ATOM 0 HB3 PRO A 84 20.146 17.457 -0.124 1.00 1.03 H new ATOM 0 HG2 PRO A 84 19.584 18.236 -2.991 1.00 1.03 H new ATOM 0 HG3 PRO A 84 18.846 16.962 -2.041 1.00 1.03 H new ATOM 0 HD2 PRO A 84 17.600 19.337 -2.356 1.00 0.91 H new ATOM 0 HD3 PRO A 84 17.474 18.461 -0.843 1.00 0.91 H new ATOM 1268 N GLN A 85 22.566 20.495 -0.978 1.00 0.88 N ATOM 1269 CA GLN A 85 23.629 21.167 -1.714 1.00 0.88 C ATOM 1270 C GLN A 85 24.939 20.395 -1.565 1.00 0.77 C ATOM 1271 O GLN A 85 25.192 19.803 -0.511 1.00 0.74 O ATOM 1272 CB GLN A 85 23.805 22.613 -1.226 1.00 1.06 C ATOM 1273 CG GLN A 85 22.589 23.494 -1.472 1.00 1.73 C ATOM 1274 CD GLN A 85 22.805 24.929 -1.034 1.00 2.21 C ATOM 1275 OE1 GLN A 85 23.258 25.769 -1.811 1.00 2.76 O ATOM 1276 NE2 GLN A 85 22.481 25.218 0.214 1.00 2.65 N ATOM 0 H GLN A 85 22.837 20.176 -0.048 1.00 0.88 H new ATOM 0 HA GLN A 85 23.351 21.196 -2.768 1.00 0.88 H new ATOM 0 HB2 GLN A 85 24.025 22.603 -0.158 1.00 1.06 H new ATOM 0 HB3 GLN A 85 24.668 23.053 -1.725 1.00 1.06 H new ATOM 0 HG2 GLN A 85 22.342 23.476 -2.533 1.00 1.73 H new ATOM 0 HG3 GLN A 85 21.733 23.081 -0.938 1.00 1.73 H new ATOM 0 HE21 GLN A 85 22.108 24.492 0.825 1.00 2.65 H new ATOM 0 HE22 GLN A 85 22.603 26.168 0.566 1.00 2.65 H new ATOM 1285 N PRO A 86 25.781 20.392 -2.617 1.00 0.81 N ATOM 1286 CA PRO A 86 27.043 19.632 -2.649 1.00 0.79 C ATOM 1287 C PRO A 86 27.943 19.898 -1.448 1.00 0.77 C ATOM 1288 O PRO A 86 28.186 21.050 -1.082 1.00 0.85 O ATOM 1289 CB PRO A 86 27.719 20.128 -3.928 1.00 0.88 C ATOM 1290 CG PRO A 86 26.600 20.556 -4.800 1.00 1.08 C ATOM 1291 CD PRO A 86 25.562 21.128 -3.878 1.00 0.95 C ATOM 0 HA PRO A 86 26.857 18.558 -2.621 1.00 0.79 H new ATOM 0 HB2 PRO A 86 28.399 20.954 -3.722 1.00 0.88 H new ATOM 0 HB3 PRO A 86 28.308 19.339 -4.397 1.00 0.88 H new ATOM 0 HG2 PRO A 86 26.931 21.299 -5.526 1.00 1.08 H new ATOM 0 HG3 PRO A 86 26.200 19.714 -5.365 1.00 1.08 H new ATOM 0 HD2 PRO A 86 25.692 22.202 -3.744 1.00 0.95 H new ATOM 0 HD3 PRO A 86 24.554 20.974 -4.263 1.00 0.95 H new ATOM 1299 N ALA A 87 28.448 18.826 -0.848 1.00 0.84 N ATOM 1300 CA ALA A 87 29.332 18.950 0.300 1.00 0.93 C ATOM 1301 C ALA A 87 30.793 18.939 -0.136 1.00 0.90 C ATOM 1302 O ALA A 87 31.391 17.882 -0.317 1.00 0.98 O ATOM 1303 CB ALA A 87 29.062 17.832 1.295 1.00 1.10 C ATOM 0 H ALA A 87 28.260 17.866 -1.137 1.00 0.84 H new ATOM 0 HA ALA A 87 29.133 19.905 0.786 1.00 0.93 H new ATOM 0 HB1 ALA A 87 29.730 17.936 2.150 1.00 1.10 H new ATOM 0 HB2 ALA A 87 28.028 17.889 1.634 1.00 1.10 H new ATOM 0 HB3 ALA A 87 29.234 16.869 0.815 1.00 1.10 H new ATOM 1309 N VAL A 88 31.353 20.127 -0.319 1.00 0.87 N ATOM 1310 CA VAL A 88 32.753 20.272 -0.707 1.00 0.88 C ATOM 1311 C VAL A 88 33.380 21.382 0.128 1.00 1.02 C ATOM 1312 O VAL A 88 32.678 22.305 0.544 1.00 1.23 O ATOM 1313 CB VAL A 88 32.908 20.622 -2.209 1.00 0.81 C ATOM 1314 CG1 VAL A 88 34.314 20.314 -2.693 1.00 0.87 C ATOM 1315 CG2 VAL A 88 31.884 19.886 -3.061 1.00 0.94 C ATOM 0 H VAL A 88 30.857 21.011 -0.205 1.00 0.87 H new ATOM 0 HA VAL A 88 33.252 19.319 -0.534 1.00 0.88 H new ATOM 0 HB VAL A 88 32.729 21.692 -2.315 1.00 0.81 H new ATOM 0 HG11 VAL A 88 34.399 20.568 -3.750 1.00 0.87 H new ATOM 0 HG12 VAL A 88 35.033 20.900 -2.120 1.00 0.87 H new ATOM 0 HG13 VAL A 88 34.521 19.253 -2.557 1.00 0.87 H new ATOM 0 HG21 VAL A 88 32.021 20.155 -4.108 1.00 0.94 H new ATOM 0 HG22 VAL A 88 32.017 18.811 -2.942 1.00 0.94 H new ATOM 0 HG23 VAL A 88 30.879 20.165 -2.744 1.00 0.94 H new ATOM 1325 N LEU A 89 34.681 21.301 0.390 1.00 1.09 N ATOM 1326 CA LEU A 89 35.319 22.301 1.235 1.00 1.27 C ATOM 1327 C LEU A 89 35.554 23.603 0.475 1.00 1.15 C ATOM 1328 O LEU A 89 34.966 24.630 0.810 1.00 1.29 O ATOM 1329 CB LEU A 89 36.644 21.779 1.795 1.00 1.54 C ATOM 1330 CG LEU A 89 36.541 20.521 2.662 1.00 2.14 C ATOM 1331 CD1 LEU A 89 37.921 20.070 3.105 1.00 2.87 C ATOM 1332 CD2 LEU A 89 35.662 20.779 3.877 1.00 2.45 C ATOM 0 H LEU A 89 35.301 20.571 0.038 1.00 1.09 H new ATOM 0 HA LEU A 89 34.642 22.504 2.064 1.00 1.27 H new ATOM 0 HB2 LEU A 89 37.314 21.571 0.961 1.00 1.54 H new ATOM 0 HB3 LEU A 89 37.106 22.570 2.386 1.00 1.54 H new ATOM 0 HG LEU A 89 36.087 19.730 2.065 1.00 2.14 H new ATOM 0 HD11 LEU A 89 37.831 19.175 3.720 1.00 2.87 H new ATOM 0 HD12 LEU A 89 38.530 19.848 2.229 1.00 2.87 H new ATOM 0 HD13 LEU A 89 38.394 20.863 3.685 1.00 2.87 H new ATOM 0 HD21 LEU A 89 35.601 19.874 4.481 1.00 2.45 H new ATOM 0 HD22 LEU A 89 36.092 21.584 4.473 1.00 2.45 H new ATOM 0 HD23 LEU A 89 34.662 21.064 3.549 1.00 2.45 H new ATOM 1344 N GLU A 90 36.390 23.566 -0.557 1.00 1.05 N ATOM 1345 CA GLU A 90 36.635 24.766 -1.349 1.00 1.13 C ATOM 1346 C GLU A 90 35.731 24.805 -2.578 1.00 1.04 C ATOM 1347 O GLU A 90 34.882 25.687 -2.705 1.00 1.34 O ATOM 1348 CB GLU A 90 38.105 24.803 -1.787 1.00 1.30 C ATOM 1349 CG GLU A 90 38.452 26.000 -2.661 1.00 1.98 C ATOM 1350 CD GLU A 90 39.801 25.856 -3.337 1.00 2.31 C ATOM 1351 OE1 GLU A 90 40.723 26.636 -3.016 1.00 2.59 O ATOM 1352 OE2 GLU A 90 39.943 24.962 -4.194 1.00 2.84 O ATOM 0 H GLU A 90 36.900 22.737 -0.861 1.00 1.05 H new ATOM 0 HA GLU A 90 36.412 25.637 -0.732 1.00 1.13 H new ATOM 0 HB2 GLU A 90 38.739 24.815 -0.900 1.00 1.30 H new ATOM 0 HB3 GLU A 90 38.336 23.887 -2.331 1.00 1.30 H new ATOM 0 HG2 GLU A 90 37.681 26.126 -3.421 1.00 1.98 H new ATOM 0 HG3 GLU A 90 38.450 26.903 -2.051 1.00 1.98 H new ATOM 1359 N THR A 91 35.855 23.768 -3.406 1.00 0.84 N ATOM 1360 CA THR A 91 35.165 23.665 -4.694 1.00 0.77 C ATOM 1361 C THR A 91 35.627 22.403 -5.412 1.00 0.77 C ATOM 1362 O THR A 91 36.537 21.722 -4.939 1.00 0.95 O ATOM 1363 CB THR A 91 35.426 24.882 -5.626 1.00 0.81 C ATOM 1364 OG1 THR A 91 36.665 25.520 -5.293 1.00 1.42 O ATOM 1365 CG2 THR A 91 34.282 25.891 -5.570 1.00 1.41 C ATOM 0 H THR A 91 36.446 22.963 -3.199 1.00 0.84 H new ATOM 0 HA THR A 91 34.097 23.637 -4.477 1.00 0.77 H new ATOM 0 HB THR A 91 35.488 24.502 -6.646 1.00 0.81 H new ATOM 0 HG1 THR A 91 36.812 26.282 -5.891 1.00 1.42 H new ATOM 0 HG21 THR A 91 34.501 26.727 -6.234 1.00 1.41 H new ATOM 0 HG22 THR A 91 33.356 25.410 -5.886 1.00 1.41 H new ATOM 0 HG23 THR A 91 34.170 26.258 -4.550 1.00 1.41 H new ATOM 1373 N THR A 92 35.011 22.091 -6.539 1.00 0.69 N ATOM 1374 CA THR A 92 35.412 20.924 -7.312 1.00 0.73 C ATOM 1375 C THR A 92 36.188 21.343 -8.562 1.00 0.65 C ATOM 1376 O THR A 92 37.344 20.956 -8.748 1.00 0.69 O ATOM 1377 CB THR A 92 34.185 20.094 -7.717 1.00 0.81 C ATOM 1378 OG1 THR A 92 33.233 20.101 -6.646 1.00 1.30 O ATOM 1379 CG2 THR A 92 34.581 18.659 -8.042 1.00 0.82 C ATOM 0 H THR A 92 34.238 22.623 -6.938 1.00 0.69 H new ATOM 0 HA THR A 92 36.060 20.313 -6.684 1.00 0.73 H new ATOM 0 HB THR A 92 33.744 20.538 -8.610 1.00 0.81 H new ATOM 0 HG1 THR A 92 32.667 19.303 -6.706 1.00 1.30 H new ATOM 0 HG21 THR A 92 33.694 18.092 -8.326 1.00 0.82 H new ATOM 0 HG22 THR A 92 35.293 18.656 -8.867 1.00 0.82 H new ATOM 0 HG23 THR A 92 35.039 18.201 -7.166 1.00 0.82 H new ATOM 1387 N HIS A 93 35.544 22.149 -9.408 1.00 0.59 N ATOM 1388 CA HIS A 93 36.182 22.695 -10.603 1.00 0.54 C ATOM 1389 C HIS A 93 35.366 23.838 -11.175 1.00 0.49 C ATOM 1390 O HIS A 93 34.309 24.179 -10.648 1.00 0.63 O ATOM 1391 CB HIS A 93 36.473 21.634 -11.688 1.00 0.68 C ATOM 1392 CG HIS A 93 35.376 20.661 -12.029 1.00 0.62 C ATOM 1393 ND1 HIS A 93 35.485 19.760 -13.066 1.00 0.98 N ATOM 1394 CD2 HIS A 93 34.169 20.413 -11.453 1.00 0.72 C ATOM 1395 CE1 HIS A 93 34.375 19.017 -13.090 1.00 1.29 C ATOM 1396 NE2 HIS A 93 33.547 19.371 -12.132 1.00 1.10 N ATOM 0 H HIS A 93 34.574 22.439 -9.284 1.00 0.59 H new ATOM 0 HA HIS A 93 37.152 23.073 -10.281 1.00 0.54 H new ATOM 0 HB2 HIS A 93 36.753 22.158 -12.602 1.00 0.68 H new ATOM 0 HB3 HIS A 93 37.343 21.060 -11.370 1.00 0.68 H new ATOM 0 HD1 HIS A 93 36.276 19.675 -13.704 1.00 0.98 H new ATOM 0 HD2 HIS A 93 33.759 20.941 -10.604 1.00 0.72 H new ATOM 0 HE1 HIS A 93 34.183 18.229 -13.803 1.00 1.29 H new ATOM 1404 N ASN A 94 35.868 24.431 -12.245 1.00 0.45 N ATOM 1405 CA ASN A 94 35.281 25.641 -12.797 1.00 0.48 C ATOM 1406 C ASN A 94 35.080 25.498 -14.299 1.00 0.51 C ATOM 1407 O ASN A 94 35.363 24.446 -14.872 1.00 0.78 O ATOM 1408 CB ASN A 94 36.178 26.848 -12.491 1.00 0.57 C ATOM 1409 CG ASN A 94 37.542 26.752 -13.150 1.00 0.67 C ATOM 1410 OD1 ASN A 94 37.749 27.249 -14.257 1.00 1.36 O ATOM 1411 ND2 ASN A 94 38.486 26.112 -12.474 1.00 1.19 N ATOM 0 H ASN A 94 36.686 24.092 -12.752 1.00 0.45 H new ATOM 0 HA ASN A 94 34.307 25.800 -12.333 1.00 0.48 H new ATOM 0 HB2 ASN A 94 35.681 27.758 -12.827 1.00 0.57 H new ATOM 0 HB3 ASN A 94 36.307 26.935 -11.412 1.00 0.57 H new ATOM 0 HD21 ASN A 94 39.422 26.018 -12.869 1.00 1.19 H new ATOM 0 HD22 ASN A 94 38.277 25.713 -11.559 1.00 1.19 H new ATOM 1418 N GLY A 95 34.590 26.555 -14.924 1.00 0.45 N ATOM 1419 CA GLY A 95 34.376 26.544 -16.353 1.00 0.49 C ATOM 1420 C GLY A 95 33.869 27.877 -16.857 1.00 0.47 C ATOM 1421 O GLY A 95 33.961 28.886 -16.155 1.00 0.53 O ATOM 0 H GLY A 95 34.335 27.428 -14.462 1.00 0.45 H new ATOM 0 HA2 GLY A 95 35.310 26.296 -16.858 1.00 0.49 H new ATOM 0 HA3 GLY A 95 33.659 25.763 -16.607 1.00 0.49 H new ATOM 1425 N VAL A 96 33.323 27.884 -18.061 1.00 0.47 N ATOM 1426 CA VAL A 96 32.775 29.094 -18.646 1.00 0.48 C ATOM 1427 C VAL A 96 31.367 28.816 -19.181 1.00 0.45 C ATOM 1428 O VAL A 96 31.077 27.697 -19.614 1.00 0.43 O ATOM 1429 CB VAL A 96 33.696 29.632 -19.773 1.00 0.55 C ATOM 1430 CG1 VAL A 96 33.777 28.670 -20.941 1.00 1.21 C ATOM 1431 CG2 VAL A 96 33.242 30.994 -20.246 1.00 1.37 C ATOM 0 H VAL A 96 33.248 27.059 -18.655 1.00 0.47 H new ATOM 0 HA VAL A 96 32.716 29.861 -17.874 1.00 0.48 H new ATOM 0 HB VAL A 96 34.695 29.728 -19.348 1.00 0.55 H new ATOM 0 HG11 VAL A 96 34.431 29.084 -21.708 1.00 1.21 H new ATOM 0 HG12 VAL A 96 34.177 27.715 -20.599 1.00 1.21 H new ATOM 0 HG13 VAL A 96 32.781 28.518 -21.357 1.00 1.21 H new ATOM 0 HG21 VAL A 96 33.906 31.345 -21.036 1.00 1.37 H new ATOM 0 HG22 VAL A 96 32.225 30.925 -20.632 1.00 1.37 H new ATOM 0 HG23 VAL A 96 33.267 31.696 -19.412 1.00 1.37 H new ATOM 1441 N VAL A 97 30.482 29.811 -19.110 1.00 0.50 N ATOM 1442 CA VAL A 97 29.110 29.648 -19.595 1.00 0.53 C ATOM 1443 C VAL A 97 29.111 29.313 -21.085 1.00 0.60 C ATOM 1444 O VAL A 97 29.620 30.083 -21.903 1.00 0.67 O ATOM 1445 CB VAL A 97 28.265 30.916 -19.359 1.00 0.60 C ATOM 1446 CG1 VAL A 97 26.839 30.719 -19.864 1.00 0.69 C ATOM 1447 CG2 VAL A 97 28.266 31.295 -17.888 1.00 0.57 C ATOM 0 H VAL A 97 30.688 30.732 -18.724 1.00 0.50 H new ATOM 0 HA VAL A 97 28.663 28.829 -19.032 1.00 0.53 H new ATOM 0 HB VAL A 97 28.715 31.733 -19.923 1.00 0.60 H new ATOM 0 HG11 VAL A 97 26.262 31.626 -19.687 1.00 0.69 H new ATOM 0 HG12 VAL A 97 26.858 30.504 -20.932 1.00 0.69 H new ATOM 0 HG13 VAL A 97 26.377 29.886 -19.334 1.00 0.69 H new ATOM 0 HG21 VAL A 97 27.664 32.192 -17.743 1.00 0.57 H new ATOM 0 HG22 VAL A 97 27.846 30.478 -17.301 1.00 0.57 H new ATOM 0 HG23 VAL A 97 29.288 31.487 -17.563 1.00 0.57 H new ATOM 1457 N ALA A 98 28.536 28.164 -21.427 1.00 0.61 N ATOM 1458 CA ALA A 98 28.609 27.640 -22.785 1.00 0.70 C ATOM 1459 C ALA A 98 27.730 28.415 -23.759 1.00 0.83 C ATOM 1460 O ALA A 98 28.227 28.957 -24.738 1.00 0.89 O ATOM 1461 CB ALA A 98 28.230 26.169 -22.803 1.00 0.76 C ATOM 0 H ALA A 98 28.012 27.576 -20.778 1.00 0.61 H new ATOM 0 HA ALA A 98 29.641 27.758 -23.116 1.00 0.70 H new ATOM 0 HB1 ALA A 98 28.289 25.791 -23.824 1.00 0.76 H new ATOM 0 HB2 ALA A 98 28.916 25.609 -22.168 1.00 0.76 H new ATOM 0 HB3 ALA A 98 27.213 26.051 -22.430 1.00 0.76 H new ATOM 1467 N ARG A 99 26.423 28.448 -23.513 1.00 0.97 N ATOM 1468 CA ARG A 99 25.511 29.100 -24.445 1.00 1.17 C ATOM 1469 C ARG A 99 24.147 29.357 -23.811 1.00 1.38 C ATOM 1470 O ARG A 99 23.783 28.719 -22.821 1.00 1.41 O ATOM 1471 CB ARG A 99 25.330 28.246 -25.706 1.00 1.25 C ATOM 1472 CG ARG A 99 24.526 26.974 -25.481 1.00 1.85 C ATOM 1473 CD ARG A 99 24.207 26.283 -26.792 1.00 2.04 C ATOM 1474 NE ARG A 99 23.539 27.190 -27.725 1.00 2.61 N ATOM 1475 CZ ARG A 99 23.092 26.826 -28.923 1.00 2.99 C ATOM 1476 NH1 ARG A 99 23.189 25.563 -29.308 1.00 2.82 N ATOM 1477 NH2 ARG A 99 22.544 27.724 -29.735 1.00 3.92 N ATOM 0 H ARG A 99 25.979 28.039 -22.691 1.00 0.97 H new ATOM 0 HA ARG A 99 25.954 30.059 -24.712 1.00 1.17 H new ATOM 0 HB2 ARG A 99 24.836 28.845 -26.471 1.00 1.25 H new ATOM 0 HB3 ARG A 99 26.312 27.979 -26.096 1.00 1.25 H new ATOM 0 HG2 ARG A 99 25.087 26.296 -24.838 1.00 1.85 H new ATOM 0 HG3 ARG A 99 23.599 27.215 -24.960 1.00 1.85 H new ATOM 0 HD2 ARG A 99 25.127 25.909 -27.241 1.00 2.04 H new ATOM 0 HD3 ARG A 99 23.570 25.419 -26.604 1.00 2.04 H new ATOM 0 HE ARG A 99 23.408 28.160 -27.439 1.00 2.61 H new ATOM 0 HH11 ARG A 99 23.606 24.871 -28.686 1.00 2.82 H new ATOM 0 HH12 ARG A 99 22.846 25.282 -30.227 1.00 2.82 H new ATOM 0 HH21 ARG A 99 22.465 28.697 -29.440 1.00 3.92 H new ATOM 0 HH22 ARG A 99 22.202 27.440 -30.653 1.00 3.92 H new ATOM 1688 N ALA A 112 17.467 24.288 -18.915 1.00 1.24 N ATOM 1689 CA ALA A 112 18.157 24.775 -17.722 1.00 1.02 C ATOM 1690 C ALA A 112 19.459 25.495 -18.063 1.00 0.97 C ATOM 1691 O ALA A 112 19.883 26.393 -17.337 1.00 1.15 O ATOM 1692 CB ALA A 112 18.410 23.628 -16.757 1.00 1.06 C ATOM 0 HA ALA A 112 17.507 25.506 -17.241 1.00 1.02 H new ATOM 0 HB1 ALA A 112 18.924 24.003 -15.872 1.00 1.06 H new ATOM 0 HB2 ALA A 112 17.459 23.184 -16.463 1.00 1.06 H new ATOM 0 HB3 ALA A 112 19.028 22.873 -17.243 1.00 1.06 H new ATOM 1698 N GLY A 113 20.072 25.126 -19.178 1.00 0.94 N ATOM 1699 CA GLY A 113 21.317 25.755 -19.577 1.00 0.89 C ATOM 1700 C GLY A 113 22.513 24.914 -19.198 1.00 0.79 C ATOM 1701 O GLY A 113 22.406 24.029 -18.350 1.00 0.83 O ATOM 0 H GLY A 113 19.732 24.404 -19.813 1.00 0.94 H new ATOM 0 HA2 GLY A 113 21.313 25.918 -20.655 1.00 0.89 H new ATOM 0 HA3 GLY A 113 21.397 26.735 -19.106 1.00 0.89 H new ATOM 1705 N LEU A 114 23.663 25.192 -19.801 1.00 0.73 N ATOM 1706 CA LEU A 114 24.822 24.335 -19.611 1.00 0.66 C ATOM 1707 C LEU A 114 26.123 25.122 -19.584 1.00 0.58 C ATOM 1708 O LEU A 114 26.266 26.156 -20.243 1.00 0.63 O ATOM 1709 CB LEU A 114 24.875 23.262 -20.700 1.00 0.74 C ATOM 1710 CG LEU A 114 23.778 22.196 -20.596 1.00 0.83 C ATOM 1711 CD1 LEU A 114 23.728 21.345 -21.841 1.00 0.93 C ATOM 1712 CD2 LEU A 114 24.012 21.304 -19.388 1.00 0.80 C ATOM 0 H LEU A 114 23.815 25.992 -20.416 1.00 0.73 H new ATOM 0 HA LEU A 114 24.712 23.857 -18.638 1.00 0.66 H new ATOM 0 HB2 LEU A 114 24.802 23.747 -21.674 1.00 0.74 H new ATOM 0 HB3 LEU A 114 25.847 22.770 -20.661 1.00 0.74 H new ATOM 0 HG LEU A 114 22.826 22.715 -20.484 1.00 0.83 H new ATOM 0 HD11 LEU A 114 22.941 20.598 -21.739 1.00 0.93 H new ATOM 0 HD12 LEU A 114 23.520 21.976 -22.705 1.00 0.93 H new ATOM 0 HD13 LEU A 114 24.687 20.846 -21.979 1.00 0.93 H new ATOM 0 HD21 LEU A 114 23.223 20.554 -19.331 1.00 0.80 H new ATOM 0 HD22 LEU A 114 24.978 20.808 -19.483 1.00 0.80 H new ATOM 0 HD23 LEU A 114 24.003 21.909 -18.482 1.00 0.80 H new ATOM 1724 N ILE A 115 27.052 24.618 -18.792 1.00 0.49 N ATOM 1725 CA ILE A 115 28.384 25.187 -18.661 1.00 0.42 C ATOM 1726 C ILE A 115 29.410 24.222 -19.246 1.00 0.43 C ATOM 1727 O ILE A 115 29.312 23.009 -19.036 1.00 0.47 O ATOM 1728 CB ILE A 115 28.713 25.442 -17.171 1.00 0.34 C ATOM 1729 CG1 ILE A 115 27.675 26.386 -16.553 1.00 0.36 C ATOM 1730 CG2 ILE A 115 30.117 26.014 -17.013 1.00 0.31 C ATOM 1731 CD1 ILE A 115 27.680 26.389 -15.039 1.00 0.28 C ATOM 0 H ILE A 115 26.902 23.791 -18.214 1.00 0.49 H new ATOM 0 HA ILE A 115 28.418 26.134 -19.200 1.00 0.42 H new ATOM 0 HB ILE A 115 28.677 24.488 -16.644 1.00 0.34 H new ATOM 0 HG12 ILE A 115 27.860 27.399 -16.910 1.00 0.36 H new ATOM 0 HG13 ILE A 115 26.683 26.101 -16.904 1.00 0.36 H new ATOM 0 HG21 ILE A 115 30.324 26.184 -15.956 1.00 0.31 H new ATOM 0 HG22 ILE A 115 30.844 25.309 -17.416 1.00 0.31 H new ATOM 0 HG23 ILE A 115 30.188 26.958 -17.553 1.00 0.31 H new ATOM 0 HD11 ILE A 115 26.920 27.080 -14.674 1.00 0.28 H new ATOM 0 HD12 ILE A 115 27.464 25.385 -14.672 1.00 0.28 H new ATOM 0 HD13 ILE A 115 28.659 26.704 -14.679 1.00 0.28 H new ATOM 1743 N GLU A 116 30.380 24.740 -19.984 1.00 0.43 N ATOM 1744 CA GLU A 116 31.418 23.890 -20.541 1.00 0.47 C ATOM 1745 C GLU A 116 32.584 23.776 -19.563 1.00 0.45 C ATOM 1746 O GLU A 116 33.185 24.775 -19.158 1.00 0.49 O ATOM 1747 CB GLU A 116 31.886 24.388 -21.917 1.00 0.54 C ATOM 1748 CG GLU A 116 32.314 25.843 -21.949 1.00 0.84 C ATOM 1749 CD GLU A 116 32.977 26.230 -23.254 1.00 1.03 C ATOM 1750 OE1 GLU A 116 34.216 26.100 -23.363 1.00 1.14 O ATOM 1751 OE2 GLU A 116 32.259 26.656 -24.186 1.00 1.40 O ATOM 0 H GLU A 116 30.469 25.731 -20.208 1.00 0.43 H new ATOM 0 HA GLU A 116 30.996 22.897 -20.694 1.00 0.47 H new ATOM 0 HB2 GLU A 116 32.721 23.770 -22.248 1.00 0.54 H new ATOM 0 HB3 GLU A 116 31.078 24.244 -22.635 1.00 0.54 H new ATOM 0 HG2 GLU A 116 31.442 26.477 -21.787 1.00 0.84 H new ATOM 0 HG3 GLU A 116 33.003 26.033 -21.126 1.00 0.84 H new ATOM 1758 N ILE A 117 32.870 22.548 -19.161 1.00 0.47 N ATOM 1759 CA ILE A 117 33.893 22.276 -18.166 1.00 0.50 C ATOM 1760 C ILE A 117 35.188 21.879 -18.861 1.00 0.56 C ATOM 1761 O ILE A 117 35.186 21.013 -19.739 1.00 0.63 O ATOM 1762 CB ILE A 117 33.442 21.135 -17.235 1.00 0.53 C ATOM 1763 CG1 ILE A 117 32.043 21.426 -16.717 1.00 0.48 C ATOM 1764 CG2 ILE A 117 34.399 20.964 -16.060 1.00 0.60 C ATOM 1765 CD1 ILE A 117 31.949 22.737 -15.976 1.00 0.41 C ATOM 0 H ILE A 117 32.401 21.714 -19.515 1.00 0.47 H new ATOM 0 HA ILE A 117 34.055 23.176 -17.573 1.00 0.50 H new ATOM 0 HB ILE A 117 33.442 20.208 -17.808 1.00 0.53 H new ATOM 0 HG12 ILE A 117 31.346 21.438 -17.555 1.00 0.48 H new ATOM 0 HG13 ILE A 117 31.731 20.618 -16.055 1.00 0.48 H new ATOM 0 HG21 ILE A 117 34.051 20.151 -15.423 1.00 0.60 H new ATOM 0 HG22 ILE A 117 35.396 20.731 -16.434 1.00 0.60 H new ATOM 0 HG23 ILE A 117 34.435 21.888 -15.482 1.00 0.60 H new ATOM 0 HD11 ILE A 117 30.926 22.888 -15.631 1.00 0.41 H new ATOM 0 HD12 ILE A 117 32.622 22.719 -15.119 1.00 0.41 H new ATOM 0 HD13 ILE A 117 32.231 23.552 -16.642 1.00 0.41 H new ATOM 1777 N LEU A 118 36.280 22.520 -18.485 1.00 0.61 N ATOM 1778 CA LEU A 118 37.572 22.242 -19.092 1.00 0.70 C ATOM 1779 C LEU A 118 38.262 21.094 -18.365 1.00 0.79 C ATOM 1780 O LEU A 118 37.953 20.810 -17.207 1.00 0.88 O ATOM 1781 CB LEU A 118 38.468 23.492 -19.079 1.00 0.84 C ATOM 1782 CG LEU A 118 39.106 23.866 -17.728 1.00 0.96 C ATOM 1783 CD1 LEU A 118 40.047 25.044 -17.897 1.00 1.15 C ATOM 1784 CD2 LEU A 118 38.053 24.199 -16.680 1.00 1.21 C ATOM 0 H LEU A 118 36.299 23.238 -17.761 1.00 0.61 H new ATOM 0 HA LEU A 118 37.403 21.954 -20.130 1.00 0.70 H new ATOM 0 HB2 LEU A 118 39.268 23.346 -19.805 1.00 0.84 H new ATOM 0 HB3 LEU A 118 37.876 24.340 -19.423 1.00 0.84 H new ATOM 0 HG LEU A 118 39.666 22.998 -17.382 1.00 0.96 H new ATOM 0 HD11 LEU A 118 40.490 25.297 -16.934 1.00 1.15 H new ATOM 0 HD12 LEU A 118 40.836 24.781 -18.602 1.00 1.15 H new ATOM 0 HD13 LEU A 118 39.492 25.902 -18.277 1.00 1.15 H new ATOM 0 HD21 LEU A 118 38.543 24.458 -15.741 1.00 1.21 H new ATOM 0 HD22 LEU A 118 37.454 25.043 -17.021 1.00 1.21 H new ATOM 0 HD23 LEU A 118 37.407 23.335 -16.526 1.00 1.21 H new ATOM 1796 N ASP A 119 39.177 20.426 -19.057 1.00 0.83 N ATOM 1797 CA ASP A 119 39.991 19.382 -18.437 1.00 0.95 C ATOM 1798 C ASP A 119 40.902 20.007 -17.388 1.00 1.01 C ATOM 1799 O ASP A 119 41.072 21.228 -17.359 1.00 0.98 O ATOM 1800 CB ASP A 119 40.854 18.658 -19.478 1.00 1.05 C ATOM 1801 CG ASP A 119 40.069 18.164 -20.677 1.00 1.65 C ATOM 1802 OD1 ASP A 119 40.120 18.809 -21.742 1.00 2.29 O ATOM 1803 OD2 ASP A 119 39.376 17.131 -20.540 1.00 2.22 O ATOM 0 H ASP A 119 39.375 20.586 -20.045 1.00 0.83 H new ATOM 0 HA ASP A 119 39.320 18.657 -17.977 1.00 0.95 H new ATOM 0 HB2 ASP A 119 41.639 19.333 -19.820 1.00 1.05 H new ATOM 0 HB3 ASP A 119 41.348 17.810 -19.003 1.00 1.05 H new ATOM 1808 N GLU A 120 41.524 19.182 -16.554 1.00 1.17 N ATOM 1809 CA GLU A 120 42.413 19.688 -15.512 1.00 1.32 C ATOM 1810 C GLU A 120 43.688 20.263 -16.127 1.00 1.33 C ATOM 1811 O GLU A 120 44.430 21.001 -15.477 1.00 1.44 O ATOM 1812 CB GLU A 120 42.774 18.595 -14.498 1.00 1.55 C ATOM 1813 CG GLU A 120 43.507 17.407 -15.097 1.00 1.63 C ATOM 1814 CD GLU A 120 42.576 16.338 -15.620 1.00 1.96 C ATOM 1815 OE1 GLU A 120 42.466 15.273 -14.981 1.00 1.89 O ATOM 1816 OE2 GLU A 120 41.946 16.568 -16.671 1.00 2.78 O ATOM 0 H GLU A 120 41.431 18.166 -16.577 1.00 1.17 H new ATOM 0 HA GLU A 120 41.879 20.479 -14.985 1.00 1.32 H new ATOM 0 HB2 GLU A 120 43.393 19.032 -13.715 1.00 1.55 H new ATOM 0 HB3 GLU A 120 41.860 18.241 -14.022 1.00 1.55 H new ATOM 0 HG2 GLU A 120 44.145 17.754 -15.910 1.00 1.63 H new ATOM 0 HG3 GLU A 120 44.161 16.973 -14.341 1.00 1.63 H new ATOM 1823 N LEU A 121 43.942 19.906 -17.382 1.00 1.28 N ATOM 1824 CA LEU A 121 45.092 20.426 -18.110 1.00 1.34 C ATOM 1825 C LEU A 121 44.653 21.563 -19.026 1.00 1.21 C ATOM 1826 O LEU A 121 45.478 22.185 -19.696 1.00 1.27 O ATOM 1827 CB LEU A 121 45.760 19.330 -18.955 1.00 1.45 C ATOM 1828 CG LEU A 121 46.257 18.082 -18.211 1.00 1.65 C ATOM 1829 CD1 LEU A 121 46.749 18.425 -16.813 1.00 1.77 C ATOM 1830 CD2 LEU A 121 45.175 17.011 -18.180 1.00 1.65 C ATOM 0 H LEU A 121 43.365 19.257 -17.916 1.00 1.28 H new ATOM 0 HA LEU A 121 45.814 20.790 -17.379 1.00 1.34 H new ATOM 0 HB2 LEU A 121 45.050 19.010 -19.717 1.00 1.45 H new ATOM 0 HB3 LEU A 121 46.608 19.774 -19.476 1.00 1.45 H new ATOM 0 HG LEU A 121 47.110 17.680 -18.757 1.00 1.65 H new ATOM 0 HD11 LEU A 121 47.093 17.518 -16.316 1.00 1.77 H new ATOM 0 HD12 LEU A 121 47.572 19.136 -16.881 1.00 1.77 H new ATOM 0 HD13 LEU A 121 45.935 18.867 -16.239 1.00 1.77 H new ATOM 0 HD21 LEU A 121 45.546 16.134 -17.649 1.00 1.65 H new ATOM 0 HD22 LEU A 121 44.294 17.399 -17.669 1.00 1.65 H new ATOM 0 HD23 LEU A 121 44.910 16.732 -19.200 1.00 1.65 H new ATOM 1842 N ARG A 122 43.345 21.825 -19.030 1.00 1.11 N ATOM 1843 CA ARG A 122 42.723 22.782 -19.947 1.00 1.08 C ATOM 1844 C ARG A 122 43.072 22.448 -21.395 1.00 1.13 C ATOM 1845 O ARG A 122 43.981 23.038 -21.984 1.00 1.46 O ATOM 1846 CB ARG A 122 43.134 24.228 -19.638 1.00 1.24 C ATOM 1847 CG ARG A 122 42.463 25.243 -20.559 1.00 1.80 C ATOM 1848 CD ARG A 122 42.894 26.666 -20.257 1.00 2.04 C ATOM 1849 NE ARG A 122 42.237 27.620 -21.147 1.00 2.50 N ATOM 1850 CZ ARG A 122 42.644 28.873 -21.330 1.00 3.32 C ATOM 1851 NH1 ARG A 122 43.685 29.347 -20.654 1.00 3.73 N ATOM 1852 NH2 ARG A 122 42.003 29.655 -22.184 1.00 4.14 N ATOM 0 H ARG A 122 42.684 21.378 -18.395 1.00 1.11 H new ATOM 0 HA ARG A 122 41.645 22.700 -19.806 1.00 1.08 H new ATOM 0 HB2 ARG A 122 42.881 24.460 -18.604 1.00 1.24 H new ATOM 0 HB3 ARG A 122 44.216 24.321 -19.730 1.00 1.24 H new ATOM 0 HG2 ARG A 122 42.703 25.005 -21.595 1.00 1.80 H new ATOM 0 HG3 ARG A 122 41.381 25.164 -20.456 1.00 1.80 H new ATOM 0 HD2 ARG A 122 42.656 26.908 -19.221 1.00 2.04 H new ATOM 0 HD3 ARG A 122 43.975 26.751 -20.364 1.00 2.04 H new ATOM 0 HE ARG A 122 41.414 27.305 -21.661 1.00 2.50 H new ATOM 0 HH11 ARG A 122 44.177 28.749 -19.990 1.00 3.73 H new ATOM 0 HH12 ARG A 122 43.992 30.309 -20.799 1.00 3.73 H new ATOM 0 HH21 ARG A 122 41.199 29.296 -22.700 1.00 4.14 H new ATOM 0 HH22 ARG A 122 42.313 30.616 -22.327 1.00 4.14 H new ATOM 1866 N THR A 123 42.366 21.490 -21.960 1.00 1.08 N ATOM 1867 CA THR A 123 42.599 21.099 -23.337 1.00 1.20 C ATOM 1868 C THR A 123 41.320 21.186 -24.156 1.00 1.15 C ATOM 1869 O THR A 123 41.307 21.754 -25.246 1.00 1.38 O ATOM 1870 CB THR A 123 43.183 19.677 -23.411 1.00 1.40 C ATOM 1871 OG1 THR A 123 42.766 18.917 -22.267 1.00 1.86 O ATOM 1872 CG2 THR A 123 44.702 19.724 -23.462 1.00 1.87 C ATOM 0 H THR A 123 41.627 20.968 -21.489 1.00 1.08 H new ATOM 0 HA THR A 123 43.324 21.795 -23.760 1.00 1.20 H new ATOM 0 HB THR A 123 42.815 19.201 -24.320 1.00 1.40 H new ATOM 0 HG1 THR A 123 41.788 18.864 -22.248 1.00 1.86 H new ATOM 0 HG21 THR A 123 45.096 18.709 -23.514 1.00 1.87 H new ATOM 0 HG22 THR A 123 45.019 20.282 -24.343 1.00 1.87 H new ATOM 0 HG23 THR A 123 45.081 20.215 -22.566 1.00 1.87 H new ATOM 1880 N THR A 124 40.242 20.641 -23.616 1.00 1.01 N ATOM 1881 CA THR A 124 38.957 20.639 -24.288 1.00 1.03 C ATOM 1882 C THR A 124 37.818 20.790 -23.289 1.00 0.89 C ATOM 1883 O THR A 124 38.048 20.963 -22.090 1.00 0.85 O ATOM 1884 CB THR A 124 38.763 19.331 -25.077 1.00 1.26 C ATOM 1885 OG1 THR A 124 39.338 18.231 -24.348 1.00 1.54 O ATOM 1886 CG2 THR A 124 39.391 19.427 -26.458 1.00 1.53 C ATOM 0 H THR A 124 40.235 20.189 -22.702 1.00 1.01 H new ATOM 0 HA THR A 124 38.943 21.486 -24.974 1.00 1.03 H new ATOM 0 HB THR A 124 37.694 19.162 -25.203 1.00 1.26 H new ATOM 0 HG1 THR A 124 39.435 18.479 -23.405 1.00 1.54 H new ATOM 0 HG21 THR A 124 39.239 18.489 -26.993 1.00 1.53 H new ATOM 0 HG22 THR A 124 38.926 20.241 -27.013 1.00 1.53 H new ATOM 0 HG23 THR A 124 40.459 19.619 -26.359 1.00 1.53 H new ATOM 1894 N VAL A 125 36.594 20.754 -23.794 1.00 0.90 N ATOM 1895 CA VAL A 125 35.423 20.665 -22.943 1.00 0.82 C ATOM 1896 C VAL A 125 35.108 19.190 -22.703 1.00 0.86 C ATOM 1897 O VAL A 125 35.091 18.399 -23.648 1.00 0.96 O ATOM 1898 CB VAL A 125 34.199 21.389 -23.568 1.00 0.82 C ATOM 1899 CG1 VAL A 125 33.945 20.923 -25.000 1.00 1.17 C ATOM 1900 CG2 VAL A 125 32.957 21.177 -22.716 1.00 1.29 C ATOM 0 H VAL A 125 36.388 20.785 -24.793 1.00 0.90 H new ATOM 0 HA VAL A 125 35.635 21.163 -21.997 1.00 0.82 H new ATOM 0 HB VAL A 125 34.427 22.454 -23.597 1.00 0.82 H new ATOM 0 HG11 VAL A 125 33.082 21.450 -25.406 1.00 1.17 H new ATOM 0 HG12 VAL A 125 34.821 21.135 -25.613 1.00 1.17 H new ATOM 0 HG13 VAL A 125 33.751 19.850 -25.005 1.00 1.17 H new ATOM 0 HG21 VAL A 125 32.111 21.692 -23.171 1.00 1.29 H new ATOM 0 HG22 VAL A 125 32.739 20.111 -22.649 1.00 1.29 H new ATOM 0 HG23 VAL A 125 33.129 21.576 -21.716 1.00 1.29 H new ATOM 1910 N ILE A 126 34.907 18.810 -21.448 1.00 0.82 N ATOM 1911 CA ILE A 126 34.679 17.407 -21.125 1.00 0.90 C ATOM 1912 C ILE A 126 33.333 16.938 -21.663 1.00 0.93 C ATOM 1913 O ILE A 126 33.269 16.127 -22.585 1.00 1.03 O ATOM 1914 CB ILE A 126 34.713 17.188 -19.599 1.00 0.89 C ATOM 1915 CG1 ILE A 126 36.020 17.723 -19.017 1.00 0.87 C ATOM 1916 CG2 ILE A 126 34.544 15.713 -19.258 1.00 1.00 C ATOM 1917 CD1 ILE A 126 36.011 17.803 -17.507 1.00 0.87 C ATOM 0 H ILE A 126 34.897 19.442 -20.648 1.00 0.82 H new ATOM 0 HA ILE A 126 35.475 16.828 -21.593 1.00 0.90 H new ATOM 0 HB ILE A 126 33.881 17.736 -19.156 1.00 0.89 H new ATOM 0 HG12 ILE A 126 36.842 17.081 -19.336 1.00 0.87 H new ATOM 0 HG13 ILE A 126 36.213 18.715 -19.426 1.00 0.87 H new ATOM 0 HG21 ILE A 126 34.571 15.584 -18.176 1.00 1.00 H new ATOM 0 HG22 ILE A 126 33.587 15.358 -19.642 1.00 1.00 H new ATOM 0 HG23 ILE A 126 35.352 15.140 -19.712 1.00 1.00 H new ATOM 0 HD11 ILE A 126 36.968 18.190 -17.157 1.00 0.87 H new ATOM 0 HD12 ILE A 126 35.210 18.467 -17.183 1.00 0.87 H new ATOM 0 HD13 ILE A 126 35.848 16.809 -17.091 1.00 0.87 H new ATOM 1929 N SER A 127 32.253 17.428 -21.075 1.00 0.87 N ATOM 1930 CA SER A 127 30.936 17.225 -21.650 1.00 0.92 C ATOM 1931 C SER A 127 30.094 18.494 -21.552 1.00 0.84 C ATOM 1932 O SER A 127 30.063 19.318 -22.467 1.00 0.85 O ATOM 1933 CB SER A 127 30.239 16.050 -20.961 1.00 0.99 C ATOM 1934 OG SER A 127 31.007 14.866 -21.099 1.00 1.56 O ATOM 0 H SER A 127 32.263 17.964 -20.207 1.00 0.87 H new ATOM 0 HA SER A 127 31.052 16.989 -22.708 1.00 0.92 H new ATOM 0 HB2 SER A 127 30.093 16.275 -19.904 1.00 0.99 H new ATOM 0 HB3 SER A 127 29.250 15.901 -21.394 1.00 0.99 H new ATOM 0 HG SER A 127 30.548 14.125 -20.652 1.00 1.56 H new ATOM 1940 N GLN A 128 29.448 18.648 -20.396 1.00 0.79 N ATOM 1941 CA GLN A 128 28.589 19.785 -20.101 1.00 0.74 C ATOM 1942 C GLN A 128 28.102 19.676 -18.656 1.00 0.69 C ATOM 1943 O GLN A 128 27.771 18.581 -18.205 1.00 0.73 O ATOM 1944 CB GLN A 128 27.393 19.813 -21.066 1.00 0.86 C ATOM 1945 CG GLN A 128 26.535 18.555 -21.024 1.00 1.02 C ATOM 1946 CD GLN A 128 25.474 18.527 -22.107 1.00 1.43 C ATOM 1947 OE1 GLN A 128 25.656 19.079 -23.190 1.00 2.08 O ATOM 1948 NE2 GLN A 128 24.347 17.898 -21.811 1.00 1.88 N ATOM 0 H GLN A 128 29.510 17.976 -19.631 1.00 0.79 H new ATOM 0 HA GLN A 128 29.151 20.710 -20.228 1.00 0.74 H new ATOM 0 HB2 GLN A 128 26.769 20.675 -20.830 1.00 0.86 H new ATOM 0 HB3 GLN A 128 27.762 19.955 -22.082 1.00 0.86 H new ATOM 0 HG2 GLN A 128 27.177 17.680 -21.129 1.00 1.02 H new ATOM 0 HG3 GLN A 128 26.053 18.482 -20.049 1.00 1.02 H new ATOM 0 HE21 GLN A 128 24.236 17.452 -20.900 1.00 1.88 H new ATOM 0 HE22 GLN A 128 23.590 17.859 -22.494 1.00 1.88 H new ATOM 1957 N HIS A 129 28.084 20.775 -17.915 1.00 0.63 N ATOM 1958 CA HIS A 129 27.487 20.752 -16.584 1.00 0.60 C ATOM 1959 C HIS A 129 26.242 21.608 -16.543 1.00 0.58 C ATOM 1960 O HIS A 129 26.231 22.745 -17.012 1.00 0.54 O ATOM 1961 CB HIS A 129 28.461 21.184 -15.478 1.00 0.54 C ATOM 1962 CG HIS A 129 29.477 20.136 -15.122 1.00 0.58 C ATOM 1963 ND1 HIS A 129 29.923 19.079 -15.845 1.00 0.58 N flip ATOM 1964 CD2 HIS A 129 30.162 20.087 -13.924 1.00 0.65 C flip ATOM 1965 CE1 HIS A 129 30.873 18.385 -15.107 1.00 0.65 C flip ATOM 1966 NE2 HIS A 129 30.984 19.030 -13.966 1.00 0.68 N flip ATOM 0 H HIS A 129 28.466 21.676 -18.203 1.00 0.63 H new ATOM 0 HA HIS A 129 27.223 19.713 -16.385 1.00 0.60 H new ATOM 0 HB2 HIS A 129 28.981 22.087 -15.797 1.00 0.54 H new ATOM 0 HB3 HIS A 129 27.891 21.443 -14.585 1.00 0.54 H new ATOM 0 HD2 HIS A 129 30.054 20.777 -13.100 1.00 0.65 H new ATOM 0 HE1 HIS A 129 31.410 17.498 -15.408 1.00 0.65 H new ATOM 0 HE2 HIS A 129 31.614 18.760 -13.211 1.00 0.68 H new ATOM 1974 N GLU A 130 25.205 21.038 -15.976 1.00 0.64 N ATOM 1975 CA GLU A 130 23.901 21.662 -15.921 1.00 0.64 C ATOM 1976 C GLU A 130 23.768 22.443 -14.621 1.00 0.56 C ATOM 1977 O GLU A 130 24.258 22.000 -13.575 1.00 0.54 O ATOM 1978 CB GLU A 130 22.858 20.550 -16.023 1.00 0.77 C ATOM 1979 CG GLU A 130 21.574 20.913 -16.741 1.00 0.82 C ATOM 1980 CD GLU A 130 20.848 19.663 -17.190 1.00 0.98 C ATOM 1981 OE1 GLU A 130 20.529 19.555 -18.391 1.00 1.18 O ATOM 1982 OE2 GLU A 130 20.652 18.755 -16.349 1.00 1.19 O ATOM 0 H GLU A 130 25.242 20.119 -15.535 1.00 0.64 H new ATOM 0 HA GLU A 130 23.757 22.368 -16.739 1.00 0.64 H new ATOM 0 HB2 GLU A 130 23.310 19.700 -16.534 1.00 0.77 H new ATOM 0 HB3 GLU A 130 22.607 20.219 -15.015 1.00 0.77 H new ATOM 0 HG2 GLU A 130 20.933 21.496 -16.080 1.00 0.82 H new ATOM 0 HG3 GLU A 130 21.797 21.541 -17.603 1.00 0.82 H new ATOM 1989 N PHE A 131 23.152 23.611 -14.687 1.00 0.53 N ATOM 1990 CA PHE A 131 22.995 24.441 -13.505 1.00 0.46 C ATOM 1991 C PHE A 131 21.520 24.660 -13.182 1.00 0.51 C ATOM 1992 O PHE A 131 20.693 24.818 -14.078 1.00 0.74 O ATOM 1993 CB PHE A 131 23.728 25.783 -13.649 1.00 0.42 C ATOM 1994 CG PHE A 131 23.374 26.581 -14.877 1.00 0.48 C ATOM 1995 CD1 PHE A 131 22.295 27.452 -14.870 1.00 0.60 C ATOM 1996 CD2 PHE A 131 24.138 26.481 -16.026 1.00 0.46 C ATOM 1997 CE1 PHE A 131 21.987 28.205 -15.987 1.00 0.70 C ATOM 1998 CE2 PHE A 131 23.831 27.228 -17.146 1.00 0.56 C ATOM 1999 CZ PHE A 131 22.755 28.091 -17.127 1.00 0.68 C ATOM 0 H PHE A 131 22.755 24.004 -15.540 1.00 0.53 H new ATOM 0 HA PHE A 131 23.452 23.907 -12.672 1.00 0.46 H new ATOM 0 HB2 PHE A 131 23.517 26.390 -12.768 1.00 0.42 H new ATOM 0 HB3 PHE A 131 24.801 25.593 -13.656 1.00 0.42 H new ATOM 0 HD1 PHE A 131 21.688 27.543 -13.981 1.00 0.60 H new ATOM 0 HD2 PHE A 131 24.985 25.811 -16.047 1.00 0.46 H new ATOM 0 HE1 PHE A 131 21.146 28.882 -15.967 1.00 0.70 H new ATOM 0 HE2 PHE A 131 24.434 27.137 -18.037 1.00 0.56 H new ATOM 0 HZ PHE A 131 22.515 28.676 -18.003 1.00 0.68 H new ATOM 2009 N GLY A 132 21.212 24.652 -11.895 1.00 0.48 N ATOM 2010 CA GLY A 132 19.847 24.827 -11.433 1.00 0.51 C ATOM 2011 C GLY A 132 19.557 26.261 -11.031 1.00 0.50 C ATOM 2012 O GLY A 132 20.473 26.995 -10.665 1.00 0.47 O ATOM 0 H GLY A 132 21.895 24.525 -11.148 1.00 0.48 H new ATOM 0 HA2 GLY A 132 19.157 24.526 -12.221 1.00 0.51 H new ATOM 0 HA3 GLY A 132 19.666 24.169 -10.583 1.00 0.51 H new ATOM 2016 N ILE A 133 18.297 26.676 -11.125 1.00 0.54 N ATOM 2017 CA ILE A 133 17.893 28.023 -10.711 1.00 0.55 C ATOM 2018 C ILE A 133 18.289 28.292 -9.256 1.00 0.54 C ATOM 2019 O ILE A 133 18.585 29.428 -8.878 1.00 0.56 O ATOM 2020 CB ILE A 133 16.369 28.229 -10.882 1.00 0.60 C ATOM 2021 CG1 ILE A 133 15.980 29.694 -10.663 1.00 0.64 C ATOM 2022 CG2 ILE A 133 15.583 27.332 -9.940 1.00 0.61 C ATOM 2023 CD1 ILE A 133 16.524 30.633 -11.718 1.00 0.67 C ATOM 0 H ILE A 133 17.535 26.101 -11.484 1.00 0.54 H new ATOM 0 HA ILE A 133 18.415 28.730 -11.356 1.00 0.55 H new ATOM 0 HB ILE A 133 16.118 27.955 -11.907 1.00 0.60 H new ATOM 0 HG12 ILE A 133 14.893 29.773 -10.645 1.00 0.64 H new ATOM 0 HG13 ILE A 133 16.339 30.014 -9.685 1.00 0.64 H new ATOM 0 HG21 ILE A 133 14.516 27.500 -10.084 1.00 0.61 H new ATOM 0 HG22 ILE A 133 15.818 26.289 -10.150 1.00 0.61 H new ATOM 0 HG23 ILE A 133 15.851 27.563 -8.909 1.00 0.61 H new ATOM 0 HD11 ILE A 133 16.207 31.652 -11.496 1.00 0.67 H new ATOM 0 HD12 ILE A 133 17.613 30.584 -11.722 1.00 0.67 H new ATOM 0 HD13 ILE A 133 16.144 30.340 -12.697 1.00 0.67 H new ATOM 2035 N THR A 134 18.319 27.237 -8.454 1.00 0.57 N ATOM 2036 CA THR A 134 18.714 27.342 -7.058 1.00 0.61 C ATOM 2037 C THR A 134 20.229 27.436 -6.937 1.00 0.57 C ATOM 2038 O THR A 134 20.765 27.948 -5.954 1.00 0.61 O ATOM 2039 CB THR A 134 18.221 26.124 -6.265 1.00 0.71 C ATOM 2040 OG1 THR A 134 18.545 24.920 -6.988 1.00 1.35 O ATOM 2041 CG2 THR A 134 16.722 26.206 -6.027 1.00 0.86 C ATOM 0 H THR A 134 18.072 26.292 -8.750 1.00 0.57 H new ATOM 0 HA THR A 134 18.262 28.246 -6.649 1.00 0.61 H new ATOM 0 HB THR A 134 18.717 26.110 -5.294 1.00 0.71 H new ATOM 0 HG1 THR A 134 17.719 24.455 -7.236 1.00 1.35 H new ATOM 0 HG21 THR A 134 16.395 25.332 -5.463 1.00 0.86 H new ATOM 0 HG22 THR A 134 16.492 27.109 -5.462 1.00 0.86 H new ATOM 0 HG23 THR A 134 16.203 26.235 -6.985 1.00 0.86 H new ATOM 2049 N SER A 135 20.906 26.933 -7.957 1.00 0.54 N ATOM 2050 CA SER A 135 22.357 26.943 -8.009 1.00 0.57 C ATOM 2051 C SER A 135 22.864 28.315 -8.414 1.00 0.46 C ATOM 2052 O SER A 135 23.975 28.713 -8.052 1.00 0.44 O ATOM 2053 CB SER A 135 22.839 25.901 -9.011 1.00 0.72 C ATOM 2054 OG SER A 135 22.429 24.602 -8.624 1.00 1.10 O ATOM 0 H SER A 135 20.464 26.507 -8.771 1.00 0.54 H new ATOM 0 HA SER A 135 22.746 26.705 -7.019 1.00 0.57 H new ATOM 0 HB2 SER A 135 22.444 26.132 -10.000 1.00 0.72 H new ATOM 0 HB3 SER A 135 23.926 25.937 -9.085 1.00 0.72 H new ATOM 0 HG SER A 135 22.748 23.949 -9.282 1.00 1.10 H new ATOM 2060 N LEU A 136 22.036 29.027 -9.164 1.00 0.45 N ATOM 2061 CA LEU A 136 22.373 30.348 -9.670 1.00 0.43 C ATOM 2062 C LEU A 136 22.293 31.412 -8.585 1.00 0.47 C ATOM 2063 O LEU A 136 21.471 32.309 -8.667 1.00 0.53 O ATOM 2064 CB LEU A 136 21.467 30.725 -10.836 1.00 0.48 C ATOM 2065 CG LEU A 136 21.627 29.865 -12.087 1.00 0.81 C ATOM 2066 CD1 LEU A 136 20.727 30.387 -13.193 1.00 1.46 C ATOM 2067 CD2 LEU A 136 23.078 29.851 -12.546 1.00 1.24 C ATOM 0 H LEU A 136 21.109 28.703 -9.439 1.00 0.45 H new ATOM 0 HA LEU A 136 23.405 30.303 -10.017 1.00 0.43 H new ATOM 0 HB2 LEU A 136 20.430 30.666 -10.504 1.00 0.48 H new ATOM 0 HB3 LEU A 136 21.658 31.765 -11.102 1.00 0.48 H new ATOM 0 HG LEU A 136 21.336 28.842 -11.847 1.00 0.81 H new ATOM 0 HD11 LEU A 136 20.847 29.768 -14.082 1.00 1.46 H new ATOM 0 HD12 LEU A 136 19.688 30.352 -12.864 1.00 1.46 H new ATOM 0 HD13 LEU A 136 20.999 31.416 -13.428 1.00 1.46 H new ATOM 0 HD21 LEU A 136 23.171 29.233 -13.439 1.00 1.24 H new ATOM 0 HD22 LEU A 136 23.397 30.868 -12.774 1.00 1.24 H new ATOM 0 HD23 LEU A 136 23.706 29.442 -11.754 1.00 1.24 H new ATOM 2079 N VAL A 137 23.086 31.257 -7.537 1.00 0.49 N ATOM 2080 CA VAL A 137 23.150 32.239 -6.453 1.00 0.60 C ATOM 2081 C VAL A 137 23.206 33.675 -6.996 1.00 0.65 C ATOM 2082 O VAL A 137 22.481 34.557 -6.531 1.00 0.77 O ATOM 2083 CB VAL A 137 24.386 31.987 -5.560 1.00 0.63 C ATOM 2084 CG1 VAL A 137 24.424 32.953 -4.388 1.00 0.82 C ATOM 2085 CG2 VAL A 137 24.407 30.549 -5.061 1.00 0.59 C ATOM 0 H VAL A 137 23.702 30.454 -7.409 1.00 0.49 H new ATOM 0 HA VAL A 137 22.242 32.123 -5.862 1.00 0.60 H new ATOM 0 HB VAL A 137 25.274 32.157 -6.169 1.00 0.63 H new ATOM 0 HG11 VAL A 137 25.305 32.751 -3.778 1.00 0.82 H new ATOM 0 HG12 VAL A 137 24.468 33.976 -4.761 1.00 0.82 H new ATOM 0 HG13 VAL A 137 23.527 32.826 -3.783 1.00 0.82 H new ATOM 0 HG21 VAL A 137 25.285 30.394 -4.435 1.00 0.59 H new ATOM 0 HG22 VAL A 137 23.507 30.353 -4.479 1.00 0.59 H new ATOM 0 HG23 VAL A 137 24.444 29.869 -5.912 1.00 0.59 H new ATOM 2095 N ASN A 138 24.050 33.900 -8.001 1.00 0.59 N ATOM 2096 CA ASN A 138 24.171 35.223 -8.621 1.00 0.66 C ATOM 2097 C ASN A 138 23.233 35.359 -9.828 1.00 0.58 C ATOM 2098 O ASN A 138 23.550 36.049 -10.797 1.00 0.60 O ATOM 2099 CB ASN A 138 25.627 35.510 -9.035 1.00 0.76 C ATOM 2100 CG ASN A 138 26.179 34.526 -10.053 1.00 1.36 C ATOM 2101 OD1 ASN A 138 26.786 33.527 -9.693 1.00 2.08 O ATOM 2102 ND2 ASN A 138 25.981 34.809 -11.329 1.00 2.17 N ATOM 0 H ASN A 138 24.659 33.188 -8.404 1.00 0.59 H new ATOM 0 HA ASN A 138 23.875 35.962 -7.876 1.00 0.66 H new ATOM 0 HB2 ASN A 138 25.686 36.517 -9.448 1.00 0.76 H new ATOM 0 HB3 ASN A 138 26.258 35.492 -8.146 1.00 0.76 H new ATOM 0 HD21 ASN A 138 26.339 34.185 -12.051 1.00 2.17 H new ATOM 0 HD22 ASN A 138 25.470 35.652 -11.591 1.00 2.17 H new ATOM 2109 N LYS A 139 22.069 34.715 -9.742 1.00 0.55 N ATOM 2110 CA LYS A 139 21.053 34.727 -10.809 1.00 0.56 C ATOM 2111 C LYS A 139 20.676 36.144 -11.249 1.00 0.66 C ATOM 2112 O LYS A 139 20.183 36.348 -12.359 1.00 0.76 O ATOM 2113 CB LYS A 139 19.795 33.990 -10.325 1.00 0.62 C ATOM 2114 CG LYS A 139 19.255 34.514 -8.996 1.00 0.75 C ATOM 2115 CD LYS A 139 18.583 33.415 -8.179 1.00 0.96 C ATOM 2116 CE LYS A 139 17.295 32.927 -8.817 1.00 0.74 C ATOM 2117 NZ LYS A 139 16.261 33.998 -8.846 1.00 1.39 N ATOM 0 H LYS A 139 21.797 34.165 -8.927 1.00 0.55 H new ATOM 0 HA LYS A 139 21.485 34.223 -11.674 1.00 0.56 H new ATOM 0 HB2 LYS A 139 19.018 34.078 -11.084 1.00 0.62 H new ATOM 0 HB3 LYS A 139 20.022 32.929 -10.223 1.00 0.62 H new ATOM 0 HG2 LYS A 139 20.072 34.947 -8.418 1.00 0.75 H new ATOM 0 HG3 LYS A 139 18.539 35.314 -9.186 1.00 0.75 H new ATOM 0 HD2 LYS A 139 19.271 32.577 -8.067 1.00 0.96 H new ATOM 0 HD3 LYS A 139 18.371 33.789 -7.177 1.00 0.96 H new ATOM 0 HE2 LYS A 139 17.497 32.587 -9.833 1.00 0.74 H new ATOM 0 HE3 LYS A 139 16.916 32.068 -8.263 1.00 0.74 H new ATOM 0 HZ1 LYS A 139 15.395 33.657 -8.383 1.00 1.39 H new ATOM 0 HZ2 LYS A 139 16.615 34.836 -8.343 1.00 1.39 H new ATOM 0 HZ3 LYS A 139 16.050 34.250 -9.833 1.00 1.39 H new ATOM 2131 N ARG A 140 20.908 37.113 -10.375 1.00 0.73 N ATOM 2132 CA ARG A 140 20.549 38.501 -10.640 1.00 0.87 C ATOM 2133 C ARG A 140 21.581 39.178 -11.543 1.00 0.86 C ATOM 2134 O ARG A 140 21.306 40.214 -12.151 1.00 1.01 O ATOM 2135 CB ARG A 140 20.458 39.269 -9.323 1.00 1.03 C ATOM 2136 CG ARG A 140 21.794 39.392 -8.616 1.00 1.11 C ATOM 2137 CD ARG A 140 21.692 40.221 -7.354 1.00 1.39 C ATOM 2138 NE ARG A 140 22.991 40.355 -6.707 1.00 1.65 N ATOM 2139 CZ ARG A 140 23.188 40.984 -5.557 1.00 2.04 C ATOM 2140 NH1 ARG A 140 22.174 41.559 -4.920 1.00 2.31 N ATOM 2141 NH2 ARG A 140 24.410 41.053 -5.052 1.00 2.46 N ATOM 0 H ARG A 140 21.348 36.962 -9.467 1.00 0.73 H new ATOM 0 HA ARG A 140 19.585 38.508 -11.148 1.00 0.87 H new ATOM 0 HB2 ARG A 140 20.062 40.266 -9.517 1.00 1.03 H new ATOM 0 HB3 ARG A 140 19.749 38.767 -8.664 1.00 1.03 H new ATOM 0 HG2 ARG A 140 22.166 38.398 -8.368 1.00 1.11 H new ATOM 0 HG3 ARG A 140 22.521 39.845 -9.290 1.00 1.11 H new ATOM 0 HD2 ARG A 140 21.299 41.209 -7.595 1.00 1.39 H new ATOM 0 HD3 ARG A 140 20.986 39.756 -6.666 1.00 1.39 H new ATOM 0 HE ARG A 140 23.800 39.938 -7.168 1.00 1.65 H new ATOM 0 HH11 ARG A 140 21.235 41.519 -5.315 1.00 2.31 H new ATOM 0 HH12 ARG A 140 22.335 42.041 -4.036 1.00 2.31 H new ATOM 0 HH21 ARG A 140 25.192 40.624 -5.547 1.00 2.46 H new ATOM 0 HH22 ARG A 140 24.570 41.535 -4.168 1.00 2.46 H new ATOM 2155 N ASP A 141 22.767 38.591 -11.612 1.00 0.73 N ATOM 2156 CA ASP A 141 23.893 39.198 -12.324 1.00 0.75 C ATOM 2157 C ASP A 141 23.699 39.190 -13.833 1.00 0.72 C ATOM 2158 O ASP A 141 22.888 38.436 -14.377 1.00 0.75 O ATOM 2159 CB ASP A 141 25.206 38.491 -11.978 1.00 0.74 C ATOM 2160 CG ASP A 141 25.957 39.183 -10.859 1.00 1.24 C ATOM 2161 OD1 ASP A 141 25.870 38.722 -9.701 1.00 1.89 O ATOM 2162 OD2 ASP A 141 26.649 40.187 -11.138 1.00 1.57 O ATOM 0 H ASP A 141 22.980 37.690 -11.183 1.00 0.73 H new ATOM 0 HA ASP A 141 23.939 40.236 -11.995 1.00 0.75 H new ATOM 0 HB2 ASP A 141 24.996 37.461 -11.688 1.00 0.74 H new ATOM 0 HB3 ASP A 141 25.838 38.450 -12.865 1.00 0.74 H new ATOM 2167 N LEU A 142 24.487 40.022 -14.499 1.00 0.85 N ATOM 2168 CA LEU A 142 24.463 40.146 -15.953 1.00 0.92 C ATOM 2169 C LEU A 142 25.293 39.036 -16.598 1.00 0.80 C ATOM 2170 O LEU A 142 25.930 39.233 -17.635 1.00 1.03 O ATOM 2171 CB LEU A 142 25.002 41.522 -16.379 1.00 1.16 C ATOM 2172 CG LEU A 142 26.500 41.781 -16.138 1.00 2.05 C ATOM 2173 CD1 LEU A 142 26.959 42.968 -16.966 1.00 2.56 C ATOM 2174 CD2 LEU A 142 26.798 42.040 -14.666 1.00 2.88 C ATOM 0 H LEU A 142 25.165 40.634 -14.045 1.00 0.85 H new ATOM 0 HA LEU A 142 23.431 40.051 -16.290 1.00 0.92 H new ATOM 0 HB2 LEU A 142 24.801 41.652 -17.442 1.00 1.16 H new ATOM 0 HB3 LEU A 142 24.435 42.288 -15.851 1.00 1.16 H new ATOM 0 HG LEU A 142 27.043 40.886 -16.440 1.00 2.05 H new ATOM 0 HD11 LEU A 142 28.020 43.146 -16.790 1.00 2.56 H new ATOM 0 HD12 LEU A 142 26.796 42.759 -18.023 1.00 2.56 H new ATOM 0 HD13 LEU A 142 26.391 43.853 -16.679 1.00 2.56 H new ATOM 0 HD21 LEU A 142 27.866 42.218 -14.537 1.00 2.88 H new ATOM 0 HD22 LEU A 142 26.241 42.915 -14.330 1.00 2.88 H new ATOM 0 HD23 LEU A 142 26.501 41.173 -14.077 1.00 2.88 H new ATOM 2186 N LEU A 143 25.252 37.867 -15.983 1.00 0.90 N ATOM 2187 CA LEU A 143 26.038 36.726 -16.418 1.00 0.81 C ATOM 2188 C LEU A 143 25.613 36.279 -17.817 1.00 0.88 C ATOM 2189 O LEU A 143 24.427 36.046 -18.067 1.00 0.97 O ATOM 2190 CB LEU A 143 25.855 35.581 -15.419 1.00 0.70 C ATOM 2191 CG LEU A 143 26.826 34.413 -15.568 1.00 0.60 C ATOM 2192 CD1 LEU A 143 28.250 34.885 -15.345 1.00 0.65 C ATOM 2193 CD2 LEU A 143 26.480 33.310 -14.590 1.00 0.58 C ATOM 0 H LEU A 143 24.671 37.682 -15.165 1.00 0.90 H new ATOM 0 HA LEU A 143 27.089 37.011 -16.460 1.00 0.81 H new ATOM 0 HB2 LEU A 143 25.951 35.984 -14.411 1.00 0.70 H new ATOM 0 HB3 LEU A 143 24.838 35.199 -15.514 1.00 0.70 H new ATOM 0 HG LEU A 143 26.742 34.017 -16.580 1.00 0.60 H new ATOM 0 HD11 LEU A 143 28.934 34.043 -15.454 1.00 0.65 H new ATOM 0 HD12 LEU A 143 28.498 35.651 -16.079 1.00 0.65 H new ATOM 0 HD13 LEU A 143 28.343 35.300 -14.341 1.00 0.65 H new ATOM 0 HD21 LEU A 143 27.182 32.485 -14.709 1.00 0.58 H new ATOM 0 HD22 LEU A 143 26.541 33.694 -13.572 1.00 0.58 H new ATOM 0 HD23 LEU A 143 25.467 32.956 -14.784 1.00 0.58 H new ATOM 2205 N GLN A 144 26.582 36.170 -18.722 1.00 0.90 N ATOM 2206 CA GLN A 144 26.314 35.760 -20.096 1.00 1.00 C ATOM 2207 C GLN A 144 27.311 34.696 -20.553 1.00 0.92 C ATOM 2208 O GLN A 144 28.118 34.205 -19.765 1.00 0.84 O ATOM 2209 CB GLN A 144 26.388 36.965 -21.041 1.00 1.21 C ATOM 2210 CG GLN A 144 27.723 37.694 -20.997 1.00 1.27 C ATOM 2211 CD GLN A 144 27.956 38.570 -22.215 1.00 1.47 C ATOM 2212 OE1 GLN A 144 27.574 39.739 -22.236 1.00 1.71 O ATOM 2213 NE2 GLN A 144 28.597 38.015 -23.236 1.00 1.77 N ATOM 0 H GLN A 144 27.565 36.361 -18.526 1.00 0.90 H new ATOM 0 HA GLN A 144 25.309 35.339 -20.126 1.00 1.00 H new ATOM 0 HB2 GLN A 144 26.201 36.628 -22.061 1.00 1.21 H new ATOM 0 HB3 GLN A 144 25.593 37.665 -20.786 1.00 1.21 H new ATOM 0 HG2 GLN A 144 27.766 38.310 -20.099 1.00 1.27 H new ATOM 0 HG3 GLN A 144 28.528 36.963 -20.921 1.00 1.27 H new ATOM 0 HE21 GLN A 144 28.898 37.042 -23.181 1.00 1.77 H new ATOM 0 HE22 GLN A 144 28.788 38.561 -24.076 1.00 1.77 H new ATOM 2222 N LYS A 145 27.246 34.342 -21.837 1.00 0.97 N ATOM 2223 CA LYS A 145 28.188 33.396 -22.416 1.00 0.98 C ATOM 2224 C LYS A 145 29.584 33.995 -22.423 1.00 1.01 C ATOM 2225 O LYS A 145 29.754 35.181 -22.718 1.00 1.11 O ATOM 2226 CB LYS A 145 27.786 33.025 -23.847 1.00 1.06 C ATOM 2227 CG LYS A 145 28.768 32.068 -24.508 1.00 1.17 C ATOM 2228 CD LYS A 145 28.475 31.865 -25.984 1.00 1.25 C ATOM 2229 CE LYS A 145 29.493 30.920 -26.609 1.00 1.41 C ATOM 2230 NZ LYS A 145 29.232 30.666 -28.048 1.00 1.43 N ATOM 0 H LYS A 145 26.550 34.698 -22.492 1.00 0.97 H new ATOM 0 HA LYS A 145 28.178 32.492 -21.807 1.00 0.98 H new ATOM 0 HB2 LYS A 145 26.795 32.570 -23.835 1.00 1.06 H new ATOM 0 HB3 LYS A 145 27.712 33.933 -24.445 1.00 1.06 H new ATOM 0 HG2 LYS A 145 29.781 32.453 -24.391 1.00 1.17 H new ATOM 0 HG3 LYS A 145 28.732 31.106 -23.998 1.00 1.17 H new ATOM 0 HD2 LYS A 145 27.471 31.460 -26.108 1.00 1.25 H new ATOM 0 HD3 LYS A 145 28.498 32.825 -26.500 1.00 1.25 H new ATOM 0 HE2 LYS A 145 30.492 31.341 -26.494 1.00 1.41 H new ATOM 0 HE3 LYS A 145 29.482 29.973 -26.069 1.00 1.41 H new ATOM 0 HZ1 LYS A 145 29.954 30.017 -28.422 1.00 1.43 H new ATOM 0 HZ2 LYS A 145 28.291 30.238 -28.160 1.00 1.43 H new ATOM 0 HZ3 LYS A 145 29.269 31.564 -28.571 1.00 1.43 H new ATOM 2244 N GLY A 146 30.568 33.180 -22.088 1.00 0.97 N ATOM 2245 CA GLY A 146 31.940 33.632 -22.107 1.00 1.06 C ATOM 2246 C GLY A 146 32.414 34.111 -20.752 1.00 1.00 C ATOM 2247 O GLY A 146 33.582 34.467 -20.594 1.00 1.07 O ATOM 0 H GLY A 146 30.441 32.209 -21.802 1.00 0.97 H new ATOM 0 HA2 GLY A 146 32.582 32.819 -22.446 1.00 1.06 H new ATOM 0 HA3 GLY A 146 32.042 34.441 -22.830 1.00 1.06 H new ATOM 2251 N ASP A 147 31.518 34.117 -19.770 1.00 0.90 N ATOM 2252 CA ASP A 147 31.890 34.472 -18.405 1.00 0.87 C ATOM 2253 C ASP A 147 32.305 33.237 -17.622 1.00 0.72 C ATOM 2254 O ASP A 147 31.702 32.169 -17.756 1.00 0.63 O ATOM 2255 CB ASP A 147 30.752 35.186 -17.676 1.00 0.89 C ATOM 2256 CG ASP A 147 30.565 36.614 -18.137 1.00 1.35 C ATOM 2257 OD1 ASP A 147 29.414 37.008 -18.417 1.00 1.94 O ATOM 2258 OD2 ASP A 147 31.575 37.346 -18.237 1.00 1.60 O ATOM 0 H ASP A 147 30.533 33.881 -19.893 1.00 0.90 H new ATOM 0 HA ASP A 147 32.735 35.157 -18.470 1.00 0.87 H new ATOM 0 HB2 ASP A 147 29.825 34.635 -17.831 1.00 0.89 H new ATOM 0 HB3 ASP A 147 30.952 35.178 -16.604 1.00 0.89 H new ATOM 2263 N LEU A 148 33.339 33.393 -16.808 1.00 0.75 N ATOM 2264 CA LEU A 148 33.884 32.288 -16.032 1.00 0.66 C ATOM 2265 C LEU A 148 33.071 32.067 -14.764 1.00 0.60 C ATOM 2266 O LEU A 148 32.646 33.023 -14.113 1.00 0.63 O ATOM 2267 CB LEU A 148 35.344 32.559 -15.673 1.00 0.75 C ATOM 2268 CG LEU A 148 36.314 32.578 -16.856 1.00 0.93 C ATOM 2269 CD1 LEU A 148 37.708 32.944 -16.378 1.00 1.46 C ATOM 2270 CD2 LEU A 148 36.331 31.223 -17.559 1.00 1.79 C ATOM 0 H LEU A 148 33.821 34.281 -16.667 1.00 0.75 H new ATOM 0 HA LEU A 148 33.830 31.386 -16.642 1.00 0.66 H new ATOM 0 HB2 LEU A 148 35.403 33.519 -15.160 1.00 0.75 H new ATOM 0 HB3 LEU A 148 35.674 31.799 -14.965 1.00 0.75 H new ATOM 0 HG LEU A 148 35.978 33.329 -17.571 1.00 0.93 H new ATOM 0 HD11 LEU A 148 38.392 32.955 -17.226 1.00 1.46 H new ATOM 0 HD12 LEU A 148 37.687 33.931 -15.916 1.00 1.46 H new ATOM 0 HD13 LEU A 148 38.047 32.209 -15.648 1.00 1.46 H new ATOM 0 HD21 LEU A 148 37.027 31.257 -18.397 1.00 1.79 H new ATOM 0 HD22 LEU A 148 36.647 30.452 -16.856 1.00 1.79 H new ATOM 0 HD23 LEU A 148 35.331 30.991 -17.926 1.00 1.79 H new ATOM 2282 N VAL A 149 32.871 30.807 -14.412 1.00 0.53 N ATOM 2283 CA VAL A 149 32.073 30.459 -13.248 1.00 0.48 C ATOM 2284 C VAL A 149 32.821 29.526 -12.300 1.00 0.46 C ATOM 2285 O VAL A 149 33.580 28.656 -12.729 1.00 0.49 O ATOM 2286 CB VAL A 149 30.743 29.797 -13.656 1.00 0.50 C ATOM 2287 CG1 VAL A 149 29.780 30.827 -14.226 1.00 1.16 C ATOM 2288 CG2 VAL A 149 30.984 28.682 -14.661 1.00 1.10 C ATOM 0 H VAL A 149 33.251 30.007 -14.917 1.00 0.53 H new ATOM 0 HA VAL A 149 31.868 31.395 -12.729 1.00 0.48 H new ATOM 0 HB VAL A 149 30.293 29.364 -12.763 1.00 0.50 H new ATOM 0 HG11 VAL A 149 28.848 30.337 -14.507 1.00 1.16 H new ATOM 0 HG12 VAL A 149 29.577 31.590 -13.475 1.00 1.16 H new ATOM 0 HG13 VAL A 149 30.224 31.293 -15.105 1.00 1.16 H new ATOM 0 HG21 VAL A 149 30.032 28.228 -14.936 1.00 1.10 H new ATOM 0 HG22 VAL A 149 31.461 29.092 -15.551 1.00 1.10 H new ATOM 0 HG23 VAL A 149 31.632 27.926 -14.217 1.00 1.10 H new ATOM 2298 N SER A 150 32.596 29.724 -11.012 1.00 0.46 N ATOM 2299 CA SER A 150 33.147 28.853 -9.986 1.00 0.47 C ATOM 2300 C SER A 150 32.009 28.149 -9.255 1.00 0.41 C ATOM 2301 O SER A 150 31.085 28.797 -8.770 1.00 0.49 O ATOM 2302 CB SER A 150 34.010 29.661 -9.009 1.00 0.59 C ATOM 2303 OG SER A 150 33.340 30.843 -8.588 1.00 1.44 O ATOM 0 H SER A 150 32.029 30.490 -10.648 1.00 0.46 H new ATOM 0 HA SER A 150 33.784 28.101 -10.451 1.00 0.47 H new ATOM 0 HB2 SER A 150 34.252 29.048 -8.141 1.00 0.59 H new ATOM 0 HB3 SER A 150 34.954 29.925 -9.486 1.00 0.59 H new ATOM 0 HG SER A 150 32.371 30.700 -8.624 1.00 1.44 H new ATOM 2309 N PHE A 151 32.064 26.828 -9.200 1.00 0.34 N ATOM 2310 CA PHE A 151 30.984 26.049 -8.617 1.00 0.34 C ATOM 2311 C PHE A 151 31.538 24.825 -7.904 1.00 0.41 C ATOM 2312 O PHE A 151 32.714 24.483 -8.063 1.00 0.49 O ATOM 2313 CB PHE A 151 30.010 25.605 -9.717 1.00 0.30 C ATOM 2314 CG PHE A 151 30.652 24.780 -10.802 1.00 0.35 C ATOM 2315 CD1 PHE A 151 31.166 25.380 -11.946 1.00 0.39 C ATOM 2316 CD2 PHE A 151 30.739 23.402 -10.678 1.00 0.47 C ATOM 2317 CE1 PHE A 151 31.758 24.616 -12.938 1.00 0.53 C ATOM 2318 CE2 PHE A 151 31.328 22.641 -11.661 1.00 0.59 C ATOM 2319 CZ PHE A 151 31.835 23.245 -12.789 1.00 0.61 C ATOM 0 H PHE A 151 32.844 26.273 -9.552 1.00 0.34 H new ATOM 0 HA PHE A 151 30.457 26.671 -7.894 1.00 0.34 H new ATOM 0 HB2 PHE A 151 29.204 25.028 -9.264 1.00 0.30 H new ATOM 0 HB3 PHE A 151 29.556 26.489 -10.166 1.00 0.30 H new ATOM 0 HD1 PHE A 151 31.103 26.452 -12.062 1.00 0.39 H new ATOM 0 HD2 PHE A 151 30.339 22.920 -9.798 1.00 0.47 H new ATOM 0 HE1 PHE A 151 32.157 25.089 -13.823 1.00 0.53 H new ATOM 0 HE2 PHE A 151 31.393 21.569 -11.548 1.00 0.59 H new ATOM 0 HZ PHE A 151 32.295 22.645 -13.560 1.00 0.61 H new ATOM 2329 N ARG A 152 30.701 24.151 -7.132 1.00 0.44 N ATOM 2330 CA ARG A 152 31.122 22.883 -6.563 1.00 0.51 C ATOM 2331 C ARG A 152 30.107 21.795 -6.879 1.00 0.50 C ATOM 2332 O ARG A 152 28.924 21.903 -6.573 1.00 0.54 O ATOM 2333 CB ARG A 152 31.365 22.986 -5.046 1.00 0.69 C ATOM 2334 CG ARG A 152 30.141 23.350 -4.221 1.00 0.94 C ATOM 2335 CD ARG A 152 30.239 24.763 -3.659 1.00 1.05 C ATOM 2336 NE ARG A 152 31.428 24.947 -2.819 1.00 1.29 N ATOM 2337 CZ ARG A 152 31.416 24.929 -1.485 1.00 1.57 C ATOM 2338 NH1 ARG A 152 30.281 24.691 -0.824 1.00 2.03 N ATOM 2339 NH2 ARG A 152 32.543 25.143 -0.809 1.00 2.20 N ATOM 0 H ARG A 152 29.756 24.449 -6.891 1.00 0.44 H new ATOM 0 HA ARG A 152 32.074 22.615 -7.022 1.00 0.51 H new ATOM 0 HB2 ARG A 152 31.753 22.032 -4.690 1.00 0.69 H new ATOM 0 HB3 ARG A 152 32.140 23.732 -4.867 1.00 0.69 H new ATOM 0 HG2 ARG A 152 29.247 23.266 -4.839 1.00 0.94 H new ATOM 0 HG3 ARG A 152 30.030 22.640 -3.402 1.00 0.94 H new ATOM 0 HD2 ARG A 152 30.264 25.478 -4.481 1.00 1.05 H new ATOM 0 HD3 ARG A 152 29.346 24.982 -3.074 1.00 1.05 H new ATOM 0 HE ARG A 152 32.322 25.099 -3.286 1.00 1.29 H new ATOM 0 HH11 ARG A 152 29.417 24.522 -1.339 1.00 2.03 H new ATOM 0 HH12 ARG A 152 30.278 24.678 0.196 1.00 2.03 H new ATOM 0 HH21 ARG A 152 33.413 25.320 -1.311 1.00 2.20 H new ATOM 0 HH22 ARG A 152 32.536 25.130 0.211 1.00 2.20 H new ATOM 2353 N ILE A 153 30.602 20.774 -7.546 1.00 0.51 N ATOM 2354 CA ILE A 153 29.848 19.573 -7.861 1.00 0.56 C ATOM 2355 C ILE A 153 30.243 18.435 -6.918 1.00 0.65 C ATOM 2356 O ILE A 153 31.431 18.169 -6.737 1.00 0.75 O ATOM 2357 CB ILE A 153 30.068 19.186 -9.347 1.00 0.58 C ATOM 2358 CG1 ILE A 153 29.930 17.685 -9.591 1.00 1.23 C ATOM 2359 CG2 ILE A 153 31.419 19.669 -9.817 1.00 0.93 C ATOM 2360 CD1 ILE A 153 30.170 17.294 -11.037 1.00 1.24 C ATOM 0 H ILE A 153 31.561 20.753 -7.893 1.00 0.51 H new ATOM 0 HA ILE A 153 28.785 19.766 -7.717 1.00 0.56 H new ATOM 0 HB ILE A 153 29.283 19.676 -9.924 1.00 0.58 H new ATOM 0 HG12 ILE A 153 30.637 17.153 -8.955 1.00 1.23 H new ATOM 0 HG13 ILE A 153 28.931 17.365 -9.295 1.00 1.23 H new ATOM 0 HG21 ILE A 153 31.562 19.391 -10.861 1.00 0.93 H new ATOM 0 HG22 ILE A 153 31.472 20.753 -9.719 1.00 0.93 H new ATOM 0 HG23 ILE A 153 32.200 19.212 -9.210 1.00 0.93 H new ATOM 0 HD11 ILE A 153 30.058 16.215 -11.146 1.00 1.24 H new ATOM 0 HD12 ILE A 153 29.446 17.800 -11.676 1.00 1.24 H new ATOM 0 HD13 ILE A 153 31.179 17.585 -11.330 1.00 1.24 H new ATOM 2372 N ASP A 154 29.270 17.765 -6.316 1.00 0.71 N ATOM 2373 CA ASP A 154 29.583 16.654 -5.420 1.00 0.82 C ATOM 2374 C ASP A 154 28.489 15.588 -5.432 1.00 0.96 C ATOM 2375 O ASP A 154 28.537 14.665 -6.242 1.00 1.09 O ATOM 2376 CB ASP A 154 29.858 17.159 -3.997 1.00 0.84 C ATOM 2377 CG ASP A 154 30.029 16.043 -2.986 1.00 1.45 C ATOM 2378 OD1 ASP A 154 31.011 15.275 -3.091 1.00 1.92 O ATOM 2379 OD2 ASP A 154 29.186 15.942 -2.074 1.00 1.73 O ATOM 0 H ASP A 154 28.276 17.963 -6.426 1.00 0.71 H new ATOM 0 HA ASP A 154 30.492 16.180 -5.790 1.00 0.82 H new ATOM 0 HB2 ASP A 154 30.758 17.773 -4.005 1.00 0.84 H new ATOM 0 HB3 ASP A 154 29.036 17.802 -3.682 1.00 0.84 H new ATOM 2384 N GLU A 155 27.491 15.725 -4.569 1.00 1.00 N ATOM 2385 CA GLU A 155 26.485 14.682 -4.419 1.00 1.17 C ATOM 2386 C GLU A 155 25.428 14.729 -5.524 1.00 1.23 C ATOM 2387 O GLU A 155 24.932 13.690 -5.967 1.00 1.46 O ATOM 2388 CB GLU A 155 25.852 14.733 -3.015 1.00 1.25 C ATOM 2389 CG GLU A 155 25.690 16.126 -2.416 1.00 1.32 C ATOM 2390 CD GLU A 155 24.662 16.978 -3.125 1.00 2.00 C ATOM 2391 OE1 GLU A 155 23.468 16.895 -2.764 1.00 2.28 O ATOM 2392 OE2 GLU A 155 25.049 17.731 -4.046 1.00 2.76 O ATOM 0 H GLU A 155 27.357 16.538 -3.968 1.00 1.00 H new ATOM 0 HA GLU A 155 26.991 13.722 -4.525 1.00 1.17 H new ATOM 0 HB2 GLU A 155 24.871 14.260 -3.061 1.00 1.25 H new ATOM 0 HB3 GLU A 155 26.463 14.135 -2.339 1.00 1.25 H new ATOM 0 HG2 GLU A 155 25.408 16.030 -1.367 1.00 1.32 H new ATOM 0 HG3 GLU A 155 26.652 16.637 -2.442 1.00 1.32 H new ATOM 2399 N SER A 156 25.114 15.925 -5.988 1.00 1.10 N ATOM 2400 CA SER A 156 24.111 16.114 -7.023 1.00 1.19 C ATOM 2401 C SER A 156 24.697 15.922 -8.421 1.00 1.14 C ATOM 2402 O SER A 156 23.961 15.716 -9.386 1.00 1.27 O ATOM 2403 CB SER A 156 23.505 17.513 -6.885 1.00 1.17 C ATOM 2404 OG SER A 156 24.512 18.460 -6.567 1.00 1.98 O ATOM 0 H SER A 156 25.544 16.790 -5.660 1.00 1.10 H new ATOM 0 HA SER A 156 23.335 15.360 -6.894 1.00 1.19 H new ATOM 0 HB2 SER A 156 23.012 17.796 -7.815 1.00 1.17 H new ATOM 0 HB3 SER A 156 22.741 17.510 -6.107 1.00 1.17 H new ATOM 0 HG SER A 156 24.659 18.469 -5.598 1.00 1.98 H new ATOM 2410 N GLY A 157 26.022 15.972 -8.527 1.00 1.04 N ATOM 2411 CA GLY A 157 26.673 15.791 -9.818 1.00 1.09 C ATOM 2412 C GLY A 157 26.360 16.906 -10.805 1.00 1.02 C ATOM 2413 O GLY A 157 26.455 16.721 -12.020 1.00 1.27 O ATOM 0 H GLY A 157 26.657 16.134 -7.746 1.00 1.04 H new ATOM 0 HA2 GLY A 157 27.752 15.737 -9.670 1.00 1.09 H new ATOM 0 HA3 GLY A 157 26.362 14.838 -10.245 1.00 1.09 H new ATOM 2417 N ARG A 158 25.984 18.063 -10.284 1.00 0.79 N ATOM 2418 CA ARG A 158 25.665 19.220 -11.098 1.00 0.72 C ATOM 2419 C ARG A 158 26.487 20.415 -10.635 1.00 0.56 C ATOM 2420 O ARG A 158 27.186 20.332 -9.625 1.00 0.57 O ATOM 2421 CB ARG A 158 24.175 19.534 -10.974 1.00 0.85 C ATOM 2422 CG ARG A 158 23.385 19.308 -12.250 1.00 1.47 C ATOM 2423 CD ARG A 158 23.409 17.857 -12.702 1.00 1.52 C ATOM 2424 NE ARG A 158 22.687 17.675 -13.964 1.00 2.12 N ATOM 2425 CZ ARG A 158 22.747 16.574 -14.708 1.00 2.75 C ATOM 2426 NH1 ARG A 158 23.476 15.532 -14.316 1.00 3.00 N ATOM 2427 NH2 ARG A 158 22.062 16.513 -15.842 1.00 3.61 N ATOM 0 H ARG A 158 25.892 18.224 -9.281 1.00 0.79 H new ATOM 0 HA ARG A 158 25.902 19.008 -12.141 1.00 0.72 H new ATOM 0 HB2 ARG A 158 23.750 18.917 -10.182 1.00 0.85 H new ATOM 0 HB3 ARG A 158 24.058 20.573 -10.666 1.00 0.85 H new ATOM 0 HG2 ARG A 158 22.352 19.619 -12.094 1.00 1.47 H new ATOM 0 HG3 ARG A 158 23.791 19.938 -13.041 1.00 1.47 H new ATOM 0 HD2 ARG A 158 24.442 17.529 -12.822 1.00 1.52 H new ATOM 0 HD3 ARG A 158 22.962 17.228 -11.932 1.00 1.52 H new ATOM 0 HE ARG A 158 22.101 18.442 -14.293 1.00 2.12 H new ATOM 0 HH11 ARG A 158 23.995 15.574 -13.439 1.00 3.00 H new ATOM 0 HH12 ARG A 158 23.516 14.692 -14.893 1.00 3.00 H new ATOM 0 HH21 ARG A 158 21.494 17.307 -16.138 1.00 3.61 H new ATOM 0 HH22 ARG A 158 22.103 15.672 -16.418 1.00 3.61 H new ATOM 2441 N ALA A 159 26.410 21.522 -11.363 1.00 0.48 N ATOM 2442 CA ALA A 159 27.078 22.735 -10.943 1.00 0.39 C ATOM 2443 C ALA A 159 26.168 23.509 -10.002 1.00 0.39 C ATOM 2444 O ALA A 159 25.162 24.078 -10.428 1.00 0.48 O ATOM 2445 CB ALA A 159 27.450 23.584 -12.150 1.00 0.37 C ATOM 0 H ALA A 159 25.894 21.600 -12.240 1.00 0.48 H new ATOM 0 HA ALA A 159 27.998 22.477 -10.419 1.00 0.39 H new ATOM 0 HB1 ALA A 159 27.951 24.492 -11.815 1.00 0.37 H new ATOM 0 HB2 ALA A 159 28.118 23.019 -12.800 1.00 0.37 H new ATOM 0 HB3 ALA A 159 26.547 23.850 -12.700 1.00 0.37 H new ATOM 2451 N ALA A 160 26.517 23.515 -8.725 1.00 0.38 N ATOM 2452 CA ALA A 160 25.687 24.138 -7.710 1.00 0.41 C ATOM 2453 C ALA A 160 26.503 25.118 -6.886 1.00 0.41 C ATOM 2454 O ALA A 160 27.732 25.009 -6.830 1.00 0.42 O ATOM 2455 CB ALA A 160 25.048 23.090 -6.818 1.00 0.49 C ATOM 0 H ALA A 160 27.374 23.093 -8.367 1.00 0.38 H new ATOM 0 HA ALA A 160 24.890 24.688 -8.210 1.00 0.41 H new ATOM 0 HB1 ALA A 160 24.431 23.580 -6.065 1.00 0.49 H new ATOM 0 HB2 ALA A 160 24.427 22.428 -7.422 1.00 0.49 H new ATOM 0 HB3 ALA A 160 25.827 22.508 -6.326 1.00 0.49 H new ATOM 2461 N CYS A 161 25.812 26.067 -6.246 1.00 0.47 N ATOM 2462 CA CYS A 161 26.466 27.173 -5.542 1.00 0.51 C ATOM 2463 C CYS A 161 27.394 27.906 -6.506 1.00 0.42 C ATOM 2464 O CYS A 161 28.410 28.479 -6.111 1.00 0.49 O ATOM 2465 CB CYS A 161 27.249 26.654 -4.330 1.00 0.63 C ATOM 2466 SG CYS A 161 26.279 25.623 -3.203 1.00 1.55 S ATOM 0 H CYS A 161 24.793 26.090 -6.202 1.00 0.47 H new ATOM 0 HA CYS A 161 25.707 27.865 -5.178 1.00 0.51 H new ATOM 0 HB2 CYS A 161 28.105 26.079 -4.684 1.00 0.63 H new ATOM 0 HB3 CYS A 161 27.644 27.505 -3.776 1.00 0.63 H new ATOM 0 HG CYS A 161 25.134 26.193 -2.970 1.00 1.55 H new ATOM 2472 N VAL A 162 27.008 27.898 -7.776 1.00 0.37 N ATOM 2473 CA VAL A 162 27.841 28.429 -8.837 1.00 0.35 C ATOM 2474 C VAL A 162 27.849 29.956 -8.812 1.00 0.39 C ATOM 2475 O VAL A 162 26.800 30.604 -8.797 1.00 0.48 O ATOM 2476 CB VAL A 162 27.399 27.891 -10.226 1.00 0.45 C ATOM 2477 CG1 VAL A 162 25.933 28.167 -10.500 1.00 1.15 C ATOM 2478 CG2 VAL A 162 28.275 28.455 -11.334 1.00 1.26 C ATOM 0 H VAL A 162 26.114 27.525 -8.094 1.00 0.37 H new ATOM 0 HA VAL A 162 28.861 28.086 -8.663 1.00 0.35 H new ATOM 0 HB VAL A 162 27.527 26.809 -10.208 1.00 0.45 H new ATOM 0 HG11 VAL A 162 25.666 27.774 -11.481 1.00 1.15 H new ATOM 0 HG12 VAL A 162 25.323 27.683 -9.737 1.00 1.15 H new ATOM 0 HG13 VAL A 162 25.755 29.242 -10.479 1.00 1.15 H new ATOM 0 HG21 VAL A 162 27.944 28.062 -12.295 1.00 1.26 H new ATOM 0 HG22 VAL A 162 28.198 29.542 -11.340 1.00 1.26 H new ATOM 0 HG23 VAL A 162 29.312 28.165 -11.161 1.00 1.26 H new ATOM 2488 N ASN A 163 29.048 30.513 -8.780 1.00 0.43 N ATOM 2489 CA ASN A 163 29.235 31.945 -8.669 1.00 0.53 C ATOM 2490 C ASN A 163 30.109 32.452 -9.804 1.00 0.52 C ATOM 2491 O ASN A 163 31.149 31.863 -10.104 1.00 0.53 O ATOM 2492 CB ASN A 163 29.868 32.280 -7.311 1.00 0.67 C ATOM 2493 CG ASN A 163 30.405 33.699 -7.236 1.00 1.29 C ATOM 2494 OD1 ASN A 163 29.661 34.645 -6.975 1.00 1.96 O ATOM 2495 ND2 ASN A 163 31.711 33.852 -7.425 1.00 2.05 N ATOM 0 H ASN A 163 29.918 29.983 -8.830 1.00 0.43 H new ATOM 0 HA ASN A 163 28.266 32.438 -8.738 1.00 0.53 H new ATOM 0 HB2 ASN A 163 29.125 32.137 -6.526 1.00 0.67 H new ATOM 0 HB3 ASN A 163 30.680 31.580 -7.113 1.00 0.67 H new ATOM 0 HD21 ASN A 163 32.131 34.779 -7.356 1.00 2.05 H new ATOM 0 HD22 ASN A 163 32.294 33.043 -7.640 1.00 2.05 H new ATOM 2502 N ALA A 164 29.667 33.525 -10.448 1.00 0.53 N ATOM 2503 CA ALA A 164 30.444 34.166 -11.500 1.00 0.56 C ATOM 2504 C ALA A 164 31.780 34.652 -10.952 1.00 0.63 C ATOM 2505 O ALA A 164 31.826 35.368 -9.950 1.00 0.75 O ATOM 2506 CB ALA A 164 29.659 35.322 -12.100 1.00 0.60 C ATOM 0 H ALA A 164 28.770 33.971 -10.258 1.00 0.53 H new ATOM 0 HA ALA A 164 30.641 33.436 -12.285 1.00 0.56 H new ATOM 0 HB1 ALA A 164 30.249 35.794 -12.885 1.00 0.60 H new ATOM 0 HB2 ALA A 164 28.726 34.948 -12.522 1.00 0.60 H new ATOM 0 HB3 ALA A 164 29.438 36.054 -11.323 1.00 0.60 H new ATOM 2512 N VAL A 165 32.858 34.252 -11.601 1.00 0.62 N ATOM 2513 CA VAL A 165 34.195 34.601 -11.140 1.00 0.70 C ATOM 2514 C VAL A 165 34.541 36.055 -11.464 1.00 0.71 C ATOM 2515 O VAL A 165 34.557 36.461 -12.628 1.00 0.95 O ATOM 2516 CB VAL A 165 35.259 33.665 -11.750 1.00 1.07 C ATOM 2517 CG1 VAL A 165 36.656 34.072 -11.307 1.00 1.43 C ATOM 2518 CG2 VAL A 165 34.976 32.219 -11.367 1.00 1.56 C ATOM 0 H VAL A 165 32.837 33.685 -12.449 1.00 0.62 H new ATOM 0 HA VAL A 165 34.197 34.478 -10.057 1.00 0.70 H new ATOM 0 HB VAL A 165 35.209 33.752 -12.835 1.00 1.07 H new ATOM 0 HG11 VAL A 165 37.389 33.398 -11.750 1.00 1.43 H new ATOM 0 HG12 VAL A 165 36.858 35.092 -11.633 1.00 1.43 H new ATOM 0 HG13 VAL A 165 36.723 34.018 -10.220 1.00 1.43 H new ATOM 0 HG21 VAL A 165 35.735 31.571 -11.805 1.00 1.56 H new ATOM 0 HG22 VAL A 165 34.996 32.119 -10.282 1.00 1.56 H new ATOM 0 HG23 VAL A 165 33.993 31.930 -11.740 1.00 1.56 H new ATOM 2528 N ARG A 166 34.810 36.836 -10.425 1.00 0.84 N ATOM 2529 CA ARG A 166 35.200 38.230 -10.590 1.00 1.15 C ATOM 2530 C ARG A 166 36.718 38.357 -10.692 1.00 1.13 C ATOM 2531 O ARG A 166 37.457 37.484 -10.232 1.00 1.05 O ATOM 2532 CB ARG A 166 34.688 39.085 -9.429 1.00 1.51 C ATOM 2533 CG ARG A 166 33.250 39.562 -9.589 1.00 1.76 C ATOM 2534 CD ARG A 166 32.245 38.425 -9.496 1.00 1.58 C ATOM 2535 NE ARG A 166 30.867 38.912 -9.578 1.00 1.94 N ATOM 2536 CZ ARG A 166 29.803 38.229 -9.160 1.00 2.24 C ATOM 2537 NH1 ARG A 166 29.944 37.007 -8.661 1.00 2.45 N ATOM 2538 NH2 ARG A 166 28.597 38.766 -9.260 1.00 2.94 N ATOM 0 H ARG A 166 34.765 36.525 -9.455 1.00 0.84 H new ATOM 0 HA ARG A 166 34.750 38.592 -11.515 1.00 1.15 H new ATOM 0 HB2 ARG A 166 34.767 38.510 -8.507 1.00 1.51 H new ATOM 0 HB3 ARG A 166 35.337 39.954 -9.319 1.00 1.51 H new ATOM 0 HG2 ARG A 166 33.029 40.302 -8.820 1.00 1.76 H new ATOM 0 HG3 ARG A 166 33.141 40.061 -10.552 1.00 1.76 H new ATOM 0 HD2 ARG A 166 32.427 37.712 -10.300 1.00 1.58 H new ATOM 0 HD3 ARG A 166 32.387 37.890 -8.557 1.00 1.58 H new ATOM 0 HE ARG A 166 30.712 39.836 -9.982 1.00 1.94 H new ATOM 0 HH11 ARG A 166 30.871 36.586 -8.596 1.00 2.45 H new ATOM 0 HH12 ARG A 166 29.125 36.489 -8.342 1.00 2.45 H new ATOM 0 HH21 ARG A 166 28.486 39.699 -9.656 1.00 2.94 H new ATOM 0 HH22 ARG A 166 27.779 38.246 -8.941 1.00 2.94 H new