USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 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 90 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= -0.154 USER MOD Set 2.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 ASN : amide:sc= -0.0415 K(o=-0.042,f=-0.87) USER MOD Set 3.1: A 34 GLN :FLIP amide:sc= -2.8 F(o=-5.8!,f=-3) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= -0.536 (180deg=-0.623) USER MOD Single : A 7 GLN : amide:sc=-0.00624 X(o=-0.0062,f=0) USER MOD Single : A 9 SER OG : rot -5:sc= 0.729 USER MOD Single : A 14 ASN : amide:sc= -0.395 X(o=-0.4,f=-0.67) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0591 USER MOD Single : A 44 SER OG : rot 55:sc= 1.14 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 0.524 (180deg=-0.23) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc=-0.00781 X(o=-0.0078,f=-0.33) USER MOD Single : A 51 SER OG : rot 12:sc= 1.23 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.174 F(o=-1.3,f=-0.17) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 5:sc= 0.111 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.2 USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 3.179 2.222 -0.462 1.00 1.51 N ATOM 14 CA VAL A 2 3.637 3.542 -0.881 1.00 75.00 C ATOM 15 C VAL A 2 4.955 3.906 -0.208 1.00 11.14 C ATOM 16 O VAL A 2 5.372 3.259 0.753 1.00 3.04 O ATOM 17 CB VAL A 2 2.591 4.627 -0.559 1.00 62.24 C ATOM 18 CG1 VAL A 2 2.748 5.110 0.874 1.00 34.14 C ATOM 19 CG2 VAL A 2 2.709 5.786 -1.538 1.00 23.55 C ATOM 0 HA VAL A 2 3.784 3.498 -1.960 1.00 75.00 H new ATOM 0 HB VAL A 2 1.597 4.193 -0.663 1.00 62.24 H new ATOM 0 HG11 VAL A 2 2.001 5.876 1.084 1.00 34.14 H new ATOM 0 HG12 VAL A 2 2.610 4.272 1.557 1.00 34.14 H new ATOM 0 HG13 VAL A 2 3.745 5.529 1.010 1.00 34.14 H new ATOM 0 HG21 VAL A 2 1.963 6.543 -1.297 1.00 23.55 H new ATOM 0 HG22 VAL A 2 3.705 6.222 -1.467 1.00 23.55 H new ATOM 0 HG23 VAL A 2 2.543 5.424 -2.553 1.00 23.55 H new ATOM 29 N ILE A 3 5.606 4.947 -0.717 1.00 74.51 N ATOM 30 CA ILE A 3 6.876 5.398 -0.163 1.00 44.33 C ATOM 31 C ILE A 3 6.844 6.892 0.139 1.00 50.10 C ATOM 32 O ILE A 3 6.653 7.713 -0.759 1.00 43.42 O ATOM 33 CB ILE A 3 8.045 5.105 -1.122 1.00 71.34 C ATOM 34 CG1 ILE A 3 8.089 3.614 -1.465 1.00 72.34 C ATOM 35 CG2 ILE A 3 9.362 5.551 -0.505 1.00 22.33 C ATOM 36 CD1 ILE A 3 9.222 3.242 -2.396 1.00 75.34 C ATOM 0 H ILE A 3 5.275 5.493 -1.512 1.00 74.51 H new ATOM 0 HA ILE A 3 7.030 4.845 0.764 1.00 44.33 H new ATOM 0 HB ILE A 3 7.890 5.667 -2.043 1.00 71.34 H new ATOM 0 HG12 ILE A 3 8.183 3.040 -0.543 1.00 72.34 H new ATOM 0 HG13 ILE A 3 7.143 3.327 -1.924 1.00 72.34 H new ATOM 0 HG21 ILE A 3 10.178 5.337 -1.195 1.00 22.33 H new ATOM 0 HG22 ILE A 3 9.326 6.622 -0.306 1.00 22.33 H new ATOM 0 HG23 ILE A 3 9.527 5.014 0.429 1.00 22.33 H new ATOM 0 HD11 ILE A 3 9.192 2.171 -2.596 1.00 75.34 H new ATOM 0 HD12 ILE A 3 9.118 3.789 -3.333 1.00 75.34 H new ATOM 0 HD13 ILE A 3 10.174 3.498 -1.931 1.00 75.34 H new ATOM 48 N ILE A 4 7.035 7.238 1.407 1.00 31.44 N ATOM 49 CA ILE A 4 7.030 8.634 1.828 1.00 51.21 C ATOM 50 C ILE A 4 8.210 9.391 1.230 1.00 44.45 C ATOM 51 O ILE A 4 9.330 8.882 1.185 1.00 43.45 O ATOM 52 CB ILE A 4 7.078 8.761 3.362 1.00 31.31 C ATOM 53 CG1 ILE A 4 5.865 8.071 3.989 1.00 23.12 C ATOM 54 CG2 ILE A 4 7.131 10.226 3.771 1.00 71.50 C ATOM 55 CD1 ILE A 4 5.886 8.069 5.502 1.00 51.12 C ATOM 0 H ILE A 4 7.195 6.571 2.162 1.00 31.44 H new ATOM 0 HA ILE A 4 6.099 9.069 1.465 1.00 51.21 H new ATOM 0 HB ILE A 4 7.981 8.270 3.725 1.00 31.31 H new ATOM 0 HG12 ILE A 4 4.957 8.568 3.647 1.00 23.12 H new ATOM 0 HG13 ILE A 4 5.818 7.042 3.633 1.00 23.12 H new ATOM 0 HG21 ILE A 4 7.165 10.299 4.858 1.00 71.50 H new ATOM 0 HG22 ILE A 4 8.022 10.690 3.348 1.00 71.50 H new ATOM 0 HG23 ILE A 4 6.244 10.740 3.400 1.00 71.50 H new ATOM 0 HD11 ILE A 4 4.996 7.564 5.878 1.00 51.12 H new ATOM 0 HD12 ILE A 4 6.776 7.546 5.853 1.00 51.12 H new ATOM 0 HD13 ILE A 4 5.901 9.096 5.867 1.00 51.12 H new ATOM 67 N LYS A 5 7.954 10.612 0.772 1.00 30.43 N ATOM 68 CA LYS A 5 8.995 11.443 0.179 1.00 13.14 C ATOM 69 C LYS A 5 9.003 12.834 0.805 1.00 5.41 C ATOM 70 O LYS A 5 7.989 13.321 1.306 1.00 50.43 O ATOM 71 CB LYS A 5 8.788 11.555 -1.333 1.00 74.42 C ATOM 72 CG LYS A 5 8.537 10.220 -2.012 1.00 65.33 C ATOM 73 CD LYS A 5 9.783 9.713 -2.721 1.00 24.11 C ATOM 74 CE LYS A 5 10.038 8.245 -2.418 1.00 23.14 C ATOM 75 NZ LYS A 5 9.232 7.348 -3.291 1.00 54.34 N ATOM 0 H LYS A 5 7.033 11.048 0.800 1.00 30.43 H new ATOM 0 HA LYS A 5 9.957 10.970 0.374 1.00 13.14 H new ATOM 0 HB2 LYS A 5 7.944 12.217 -1.528 1.00 74.42 H new ATOM 0 HB3 LYS A 5 9.667 12.020 -1.778 1.00 74.42 H new ATOM 0 HG2 LYS A 5 8.216 9.488 -1.271 1.00 65.33 H new ATOM 0 HG3 LYS A 5 7.724 10.323 -2.731 1.00 65.33 H new ATOM 0 HD2 LYS A 5 9.672 9.850 -3.797 1.00 24.11 H new ATOM 0 HD3 LYS A 5 10.645 10.304 -2.412 1.00 24.11 H new ATOM 0 HE2 LYS A 5 11.097 8.026 -2.552 1.00 23.14 H new ATOM 0 HE3 LYS A 5 9.801 8.044 -1.373 1.00 23.14 H new ATOM 0 HZ1 LYS A 5 9.521 6.361 -3.136 1.00 54.34 H new ATOM 0 HZ2 LYS A 5 8.223 7.454 -3.061 1.00 54.34 H new ATOM 0 HZ3 LYS A 5 9.388 7.602 -4.287 1.00 54.34 H new ATOM 89 N PRO A 6 10.173 13.490 0.777 1.00 23.35 N ATOM 90 CA PRO A 6 10.341 14.834 1.336 1.00 64.21 C ATOM 91 C PRO A 6 9.614 15.896 0.519 1.00 11.41 C ATOM 92 O PRO A 6 9.341 16.991 1.010 1.00 22.02 O ATOM 93 CB PRO A 6 11.854 15.056 1.277 1.00 34.02 C ATOM 94 CG PRO A 6 12.324 14.171 0.176 1.00 50.42 C ATOM 95 CD PRO A 6 11.422 12.968 0.197 1.00 40.44 C ATOM 0 HA PRO A 6 9.924 14.913 2.340 1.00 64.21 H new ATOM 0 HB2 PRO A 6 12.093 16.100 1.075 1.00 34.02 H new ATOM 0 HB3 PRO A 6 12.329 14.797 2.223 1.00 34.02 H new ATOM 0 HG2 PRO A 6 12.270 14.682 -0.785 1.00 50.42 H new ATOM 0 HG3 PRO A 6 13.364 13.881 0.325 1.00 50.42 H new ATOM 0 HD2 PRO A 6 11.264 12.567 -0.804 1.00 40.44 H new ATOM 0 HD3 PRO A 6 11.840 12.163 0.801 1.00 40.44 H new ATOM 103 N GLN A 7 9.303 15.566 -0.730 1.00 63.55 N ATOM 104 CA GLN A 7 8.608 16.492 -1.615 1.00 75.10 C ATOM 105 C GLN A 7 9.553 17.576 -2.121 1.00 45.22 C ATOM 106 O GLN A 7 9.177 18.407 -2.948 1.00 65.23 O ATOM 107 CB GLN A 7 7.423 17.132 -0.889 1.00 12.44 C ATOM 108 CG GLN A 7 6.367 17.696 -1.826 1.00 31.35 C ATOM 109 CD GLN A 7 4.959 17.314 -1.414 1.00 14.14 C ATOM 110 OE1 GLN A 7 4.209 16.724 -2.193 1.00 24.11 O ATOM 111 NE2 GLN A 7 4.590 17.651 -0.183 1.00 70.51 N ATOM 0 H GLN A 7 9.522 14.663 -1.152 1.00 63.55 H new ATOM 0 HA GLN A 7 8.240 15.928 -2.472 1.00 75.10 H new ATOM 0 HB2 GLN A 7 6.961 16.388 -0.240 1.00 12.44 H new ATOM 0 HB3 GLN A 7 7.791 17.932 -0.246 1.00 12.44 H new ATOM 0 HG2 GLN A 7 6.452 18.782 -1.852 1.00 31.35 H new ATOM 0 HG3 GLN A 7 6.556 17.338 -2.838 1.00 31.35 H new ATOM 0 HE21 GLN A 7 5.243 18.139 0.430 1.00 70.51 H new ATOM 0 HE22 GLN A 7 3.653 17.421 0.150 1.00 70.51 H new ATOM 120 N VAL A 8 10.785 17.560 -1.620 1.00 71.20 N ATOM 121 CA VAL A 8 11.786 18.541 -2.022 1.00 23.40 C ATOM 122 C VAL A 8 13.197 17.990 -1.846 1.00 25.52 C ATOM 123 O VAL A 8 13.381 16.867 -1.378 1.00 24.42 O ATOM 124 CB VAL A 8 11.652 19.844 -1.214 1.00 12.33 C ATOM 125 CG1 VAL A 8 10.355 20.558 -1.563 1.00 33.13 C ATOM 126 CG2 VAL A 8 11.725 19.555 0.278 1.00 11.33 C ATOM 0 H VAL A 8 11.113 16.879 -0.935 1.00 71.20 H new ATOM 0 HA VAL A 8 11.611 18.757 -3.076 1.00 23.40 H new ATOM 0 HB VAL A 8 12.482 20.500 -1.476 1.00 12.33 H new ATOM 0 HG11 VAL A 8 10.278 21.477 -0.982 1.00 33.13 H new ATOM 0 HG12 VAL A 8 10.347 20.799 -2.626 1.00 33.13 H new ATOM 0 HG13 VAL A 8 9.509 19.910 -1.332 1.00 33.13 H new ATOM 0 HG21 VAL A 8 11.629 20.487 0.834 1.00 11.33 H new ATOM 0 HG22 VAL A 8 10.916 18.880 0.558 1.00 11.33 H new ATOM 0 HG23 VAL A 8 12.683 19.090 0.512 1.00 11.33 H new ATOM 136 N SER A 9 14.190 18.788 -2.224 1.00 30.23 N ATOM 137 CA SER A 9 15.585 18.379 -2.110 1.00 11.22 C ATOM 138 C SER A 9 16.333 19.270 -1.123 1.00 45.23 C ATOM 139 O SER A 9 16.380 20.489 -1.280 1.00 70.32 O ATOM 140 CB SER A 9 16.267 18.431 -3.479 1.00 22.42 C ATOM 141 OG SER A 9 16.660 19.753 -3.804 1.00 34.04 O ATOM 0 H SER A 9 14.055 19.722 -2.612 1.00 30.23 H new ATOM 0 HA SER A 9 15.609 17.355 -1.739 1.00 11.22 H new ATOM 0 HB2 SER A 9 17.140 17.779 -3.479 1.00 22.42 H new ATOM 0 HB3 SER A 9 15.587 18.053 -4.242 1.00 22.42 H new ATOM 0 HG SER A 9 16.339 20.369 -3.113 1.00 34.04 H new ATOM 147 N GLY A 10 16.920 18.650 -0.103 1.00 20.31 N ATOM 148 CA GLY A 10 17.659 19.400 0.896 1.00 62.03 C ATOM 149 C GLY A 10 18.417 18.501 1.853 1.00 53.31 C ATOM 150 O GLY A 10 19.140 17.600 1.428 1.00 71.02 O ATOM 0 H GLY A 10 16.897 17.642 0.049 1.00 20.31 H new ATOM 0 HA2 GLY A 10 18.361 20.069 0.398 1.00 62.03 H new ATOM 0 HA3 GLY A 10 16.968 20.026 1.461 1.00 62.03 H new ATOM 154 N VAL A 11 18.253 18.748 3.149 1.00 62.52 N ATOM 155 CA VAL A 11 18.929 17.954 4.168 1.00 12.14 C ATOM 156 C VAL A 11 18.010 17.691 5.357 1.00 3.43 C ATOM 157 O VAL A 11 17.230 18.557 5.754 1.00 4.12 O ATOM 158 CB VAL A 11 20.208 18.652 4.667 1.00 62.44 C ATOM 159 CG1 VAL A 11 20.882 17.822 5.748 1.00 4.25 C ATOM 160 CG2 VAL A 11 21.160 18.907 3.508 1.00 0.24 C ATOM 0 H VAL A 11 17.659 19.491 3.517 1.00 62.52 H new ATOM 0 HA VAL A 11 19.200 17.006 3.703 1.00 12.14 H new ATOM 0 HB VAL A 11 19.932 19.613 5.100 1.00 62.44 H new ATOM 0 HG11 VAL A 11 21.784 18.331 6.088 1.00 4.25 H new ATOM 0 HG12 VAL A 11 20.199 17.694 6.588 1.00 4.25 H new ATOM 0 HG13 VAL A 11 21.147 16.845 5.344 1.00 4.25 H new ATOM 0 HG21 VAL A 11 22.059 19.401 3.877 1.00 0.24 H new ATOM 0 HG22 VAL A 11 21.431 17.958 3.045 1.00 0.24 H new ATOM 0 HG23 VAL A 11 20.673 19.545 2.770 1.00 0.24 H new ATOM 170 N ILE A 12 18.110 16.491 5.920 1.00 12.54 N ATOM 171 CA ILE A 12 17.289 16.116 7.065 1.00 63.11 C ATOM 172 C ILE A 12 17.548 17.037 8.253 1.00 64.55 C ATOM 173 O ILE A 12 18.675 17.477 8.476 1.00 42.24 O ATOM 174 CB ILE A 12 17.551 14.659 7.491 1.00 45.50 C ATOM 175 CG1 ILE A 12 17.394 13.718 6.295 1.00 52.01 C ATOM 176 CG2 ILE A 12 16.608 14.258 8.615 1.00 52.31 C ATOM 177 CD1 ILE A 12 15.986 13.673 5.744 1.00 62.01 C ATOM 0 H ILE A 12 18.750 15.763 5.602 1.00 12.54 H new ATOM 0 HA ILE A 12 16.249 16.214 6.754 1.00 63.11 H new ATOM 0 HB ILE A 12 18.575 14.582 7.857 1.00 45.50 H new ATOM 0 HG12 ILE A 12 18.075 14.032 5.504 1.00 52.01 H new ATOM 0 HG13 ILE A 12 17.692 12.712 6.592 1.00 52.01 H new ATOM 0 HG21 ILE A 12 16.806 13.226 8.905 1.00 52.31 H new ATOM 0 HG22 ILE A 12 16.765 14.912 9.473 1.00 52.31 H new ATOM 0 HG23 ILE A 12 15.577 14.348 8.274 1.00 52.31 H new ATOM 0 HD11 ILE A 12 15.948 12.986 4.898 1.00 62.01 H new ATOM 0 HD12 ILE A 12 15.302 13.330 6.521 1.00 62.01 H new ATOM 0 HD13 ILE A 12 15.692 14.670 5.416 1.00 62.01 H new ATOM 189 N VAL A 13 16.497 17.321 9.014 1.00 21.41 N ATOM 190 CA VAL A 13 16.610 18.185 10.182 1.00 1.31 C ATOM 191 C VAL A 13 16.111 17.481 11.439 1.00 32.02 C ATOM 192 O VAL A 13 16.648 17.678 12.529 1.00 54.15 O ATOM 193 CB VAL A 13 15.818 19.493 9.992 1.00 72.12 C ATOM 194 CG1 VAL A 13 16.310 20.562 10.956 1.00 64.31 C ATOM 195 CG2 VAL A 13 15.923 19.973 8.552 1.00 12.11 C ATOM 0 H VAL A 13 15.557 16.965 8.842 1.00 21.41 H new ATOM 0 HA VAL A 13 17.668 18.422 10.298 1.00 1.31 H new ATOM 0 HB VAL A 13 14.768 19.297 10.211 1.00 72.12 H new ATOM 0 HG11 VAL A 13 15.738 21.478 10.806 1.00 64.31 H new ATOM 0 HG12 VAL A 13 16.179 20.216 11.981 1.00 64.31 H new ATOM 0 HG13 VAL A 13 17.366 20.759 10.772 1.00 64.31 H new ATOM 0 HG21 VAL A 13 15.358 20.898 8.435 1.00 12.11 H new ATOM 0 HG22 VAL A 13 16.969 20.153 8.304 1.00 12.11 H new ATOM 0 HG23 VAL A 13 15.517 19.213 7.885 1.00 12.11 H new ATOM 205 N ASN A 14 15.080 16.658 11.280 1.00 74.33 N ATOM 206 CA ASN A 14 14.508 15.923 12.402 1.00 75.42 C ATOM 207 C ASN A 14 13.629 14.776 11.909 1.00 1.31 C ATOM 208 O ASN A 14 13.410 14.618 10.708 1.00 25.23 O ATOM 209 CB ASN A 14 13.689 16.862 13.289 1.00 42.33 C ATOM 210 CG ASN A 14 13.675 16.421 14.740 1.00 64.24 C ATOM 211 OD1 ASN A 14 14.721 16.136 15.323 1.00 23.35 O ATOM 212 ND2 ASN A 14 12.486 16.363 15.329 1.00 1.43 N ATOM 0 H ASN A 14 14.623 16.483 10.385 1.00 74.33 H new ATOM 0 HA ASN A 14 15.328 15.505 12.986 1.00 75.42 H new ATOM 0 HB2 ASN A 14 14.099 17.870 13.222 1.00 42.33 H new ATOM 0 HB3 ASN A 14 12.666 16.909 12.916 1.00 42.33 H new ATOM 0 HD21 ASN A 14 12.414 16.073 16.304 1.00 1.43 H new ATOM 0 HD22 ASN A 14 11.645 16.609 14.806 1.00 1.43 H new ATOM 219 N LYS A 15 13.128 13.978 12.846 1.00 10.45 N ATOM 220 CA LYS A 15 12.272 12.847 12.511 1.00 32.21 C ATOM 221 C LYS A 15 11.216 12.625 13.588 1.00 1.42 C ATOM 222 O LYS A 15 11.494 12.029 14.631 1.00 15.21 O ATOM 223 CB LYS A 15 13.111 11.579 12.336 1.00 45.43 C ATOM 224 CG LYS A 15 14.032 11.293 13.511 1.00 75.24 C ATOM 225 CD LYS A 15 15.217 10.437 13.095 1.00 30.32 C ATOM 226 CE LYS A 15 14.827 8.973 12.959 1.00 32.33 C ATOM 227 NZ LYS A 15 15.916 8.064 13.412 1.00 13.32 N ATOM 0 H LYS A 15 13.301 14.094 13.845 1.00 10.45 H new ATOM 0 HA LYS A 15 11.766 13.073 11.572 1.00 32.21 H new ATOM 0 HB2 LYS A 15 12.444 10.729 12.192 1.00 45.43 H new ATOM 0 HB3 LYS A 15 13.710 11.671 11.430 1.00 45.43 H new ATOM 0 HG2 LYS A 15 14.390 12.233 13.931 1.00 75.24 H new ATOM 0 HG3 LYS A 15 13.473 10.785 14.297 1.00 75.24 H new ATOM 0 HD2 LYS A 15 15.613 10.799 12.146 1.00 30.32 H new ATOM 0 HD3 LYS A 15 16.014 10.535 13.832 1.00 30.32 H new ATOM 0 HE2 LYS A 15 13.927 8.781 13.544 1.00 32.33 H new ATOM 0 HE3 LYS A 15 14.583 8.757 11.919 1.00 32.33 H new ATOM 0 HZ1 LYS A 15 15.611 7.076 13.303 1.00 13.32 H new ATOM 0 HZ2 LYS A 15 16.767 8.229 12.838 1.00 13.32 H new ATOM 0 HZ3 LYS A 15 16.131 8.252 14.412 1.00 13.32 H new ATOM 241 N LEU A 16 10.004 13.105 13.331 1.00 51.53 N ATOM 242 CA LEU A 16 8.905 12.957 14.279 1.00 11.52 C ATOM 243 C LEU A 16 8.028 11.765 13.914 1.00 41.31 C ATOM 244 O LEU A 16 6.809 11.890 13.797 1.00 12.32 O ATOM 245 CB LEU A 16 8.062 14.234 14.315 1.00 43.12 C ATOM 246 CG LEU A 16 8.825 15.536 14.562 1.00 22.55 C ATOM 247 CD1 LEU A 16 9.388 16.080 13.259 1.00 44.21 C ATOM 248 CD2 LEU A 16 7.922 16.564 15.227 1.00 53.23 C ATOM 0 H LEU A 16 9.757 13.600 12.474 1.00 51.53 H new ATOM 0 HA LEU A 16 9.331 12.782 15.267 1.00 11.52 H new ATOM 0 HB2 LEU A 16 7.531 14.322 13.367 1.00 43.12 H new ATOM 0 HB3 LEU A 16 7.307 14.125 15.094 1.00 43.12 H new ATOM 0 HG LEU A 16 9.658 15.326 15.233 1.00 22.55 H new ATOM 0 HD11 LEU A 16 9.928 17.007 13.455 1.00 44.21 H new ATOM 0 HD12 LEU A 16 10.069 15.349 12.823 1.00 44.21 H new ATOM 0 HD13 LEU A 16 8.572 16.275 12.563 1.00 44.21 H new ATOM 0 HD21 LEU A 16 8.481 17.484 15.396 1.00 53.23 H new ATOM 0 HD22 LEU A 16 7.069 16.771 14.581 1.00 53.23 H new ATOM 0 HD23 LEU A 16 7.568 16.174 16.182 1.00 53.23 H new ATOM 260 N PHE A 17 8.656 10.607 13.738 1.00 41.14 N ATOM 261 CA PHE A 17 7.933 9.390 13.387 1.00 11.25 C ATOM 262 C PHE A 17 8.362 8.227 14.276 1.00 1.21 C ATOM 263 O PHE A 17 9.349 8.320 15.007 1.00 33.20 O ATOM 264 CB PHE A 17 8.167 9.038 11.917 1.00 24.41 C ATOM 265 CG PHE A 17 9.340 8.125 11.699 1.00 1.13 C ATOM 266 CD1 PHE A 17 10.636 8.605 11.798 1.00 24.22 C ATOM 267 CD2 PHE A 17 9.146 6.787 11.395 1.00 24.41 C ATOM 268 CE1 PHE A 17 11.716 7.767 11.598 1.00 65.04 C ATOM 269 CE2 PHE A 17 10.223 5.944 11.194 1.00 21.52 C ATOM 270 CZ PHE A 17 11.510 6.434 11.297 1.00 11.33 C ATOM 0 H PHE A 17 9.664 10.486 13.833 1.00 41.14 H new ATOM 0 HA PHE A 17 6.870 9.571 13.544 1.00 11.25 H new ATOM 0 HB2 PHE A 17 7.270 8.565 11.517 1.00 24.41 H new ATOM 0 HB3 PHE A 17 8.322 9.957 11.352 1.00 24.41 H new ATOM 0 HD1 PHE A 17 10.804 9.645 12.034 1.00 24.22 H new ATOM 0 HD2 PHE A 17 8.142 6.398 11.314 1.00 24.41 H new ATOM 0 HE1 PHE A 17 12.721 8.154 11.677 1.00 65.04 H new ATOM 0 HE2 PHE A 17 10.058 4.903 10.957 1.00 21.52 H new ATOM 0 HZ PHE A 17 12.353 5.777 11.143 1.00 11.33 H new ATOM 280 N LYS A 18 7.615 7.131 14.208 1.00 61.52 N ATOM 281 CA LYS A 18 7.916 5.947 15.005 1.00 53.33 C ATOM 282 C LYS A 18 7.966 4.700 14.128 1.00 2.05 C ATOM 283 O LYS A 18 7.431 4.687 13.021 1.00 63.45 O ATOM 284 CB LYS A 18 6.870 5.768 16.106 1.00 71.12 C ATOM 285 CG LYS A 18 7.145 6.598 17.348 1.00 42.23 C ATOM 286 CD LYS A 18 7.715 5.748 18.471 1.00 2.52 C ATOM 287 CE LYS A 18 8.822 6.479 19.216 1.00 64.31 C ATOM 288 NZ LYS A 18 9.570 5.570 20.128 1.00 52.54 N ATOM 0 H LYS A 18 6.795 7.037 13.608 1.00 61.52 H new ATOM 0 HA LYS A 18 8.895 6.087 15.463 1.00 53.33 H new ATOM 0 HB2 LYS A 18 5.890 6.035 15.711 1.00 71.12 H new ATOM 0 HB3 LYS A 18 6.825 4.715 16.385 1.00 71.12 H new ATOM 0 HG2 LYS A 18 7.844 7.398 17.105 1.00 42.23 H new ATOM 0 HG3 LYS A 18 6.222 7.072 17.682 1.00 42.23 H new ATOM 0 HD2 LYS A 18 6.920 5.483 19.168 1.00 2.52 H new ATOM 0 HD3 LYS A 18 8.104 4.816 18.062 1.00 2.52 H new ATOM 0 HE2 LYS A 18 9.512 6.922 18.498 1.00 64.31 H new ATOM 0 HE3 LYS A 18 8.392 7.299 19.792 1.00 64.31 H new ATOM 0 HZ1 LYS A 18 10.315 6.105 20.617 1.00 52.54 H new ATOM 0 HZ2 LYS A 18 8.916 5.167 20.829 1.00 52.54 H new ATOM 0 HZ3 LYS A 18 10.001 4.802 19.575 1.00 52.54 H new ATOM 302 N ALA A 19 8.612 3.653 14.633 1.00 14.24 N ATOM 303 CA ALA A 19 8.728 2.400 13.897 1.00 12.45 C ATOM 304 C ALA A 19 7.548 1.480 14.190 1.00 13.53 C ATOM 305 O ALA A 19 7.384 1.002 15.312 1.00 45.14 O ATOM 306 CB ALA A 19 10.038 1.707 14.240 1.00 24.15 C ATOM 0 H ALA A 19 9.062 3.648 15.548 1.00 14.24 H new ATOM 0 HA ALA A 19 8.719 2.630 12.832 1.00 12.45 H new ATOM 0 HB1 ALA A 19 10.112 0.773 13.684 1.00 24.15 H new ATOM 0 HB2 ALA A 19 10.873 2.355 13.974 1.00 24.15 H new ATOM 0 HB3 ALA A 19 10.069 1.496 15.309 1.00 24.15 H new ATOM 312 N GLY A 20 6.726 1.238 13.174 1.00 21.52 N ATOM 313 CA GLY A 20 5.570 0.376 13.343 1.00 33.12 C ATOM 314 C GLY A 20 4.396 1.099 13.972 1.00 71.44 C ATOM 315 O GLY A 20 3.516 0.472 14.563 1.00 73.02 O ATOM 0 H GLY A 20 6.840 1.623 12.236 1.00 21.52 H new ATOM 0 HA2 GLY A 20 5.271 -0.021 12.373 1.00 33.12 H new ATOM 0 HA3 GLY A 20 5.844 -0.476 13.965 1.00 33.12 H new ATOM 319 N ASP A 21 4.381 2.422 13.847 1.00 64.35 N ATOM 320 CA ASP A 21 3.306 3.231 14.408 1.00 34.20 C ATOM 321 C ASP A 21 2.286 3.599 13.335 1.00 61.31 C ATOM 322 O ASP A 21 2.569 3.515 12.140 1.00 54.42 O ATOM 323 CB ASP A 21 3.873 4.499 15.046 1.00 50.01 C ATOM 324 CG ASP A 21 3.439 4.666 16.489 1.00 55.02 C ATOM 325 OD1 ASP A 21 3.456 3.664 17.234 1.00 41.14 O ATOM 326 OD2 ASP A 21 3.081 5.799 16.874 1.00 61.44 O ATOM 0 H ASP A 21 5.102 2.957 13.362 1.00 64.35 H new ATOM 0 HA ASP A 21 2.803 2.641 15.175 1.00 34.20 H new ATOM 0 HB2 ASP A 21 4.962 4.471 14.998 1.00 50.01 H new ATOM 0 HB3 ASP A 21 3.551 5.367 14.470 1.00 50.01 H new ATOM 331 N LYS A 22 1.098 4.005 13.769 1.00 1.54 N ATOM 332 CA LYS A 22 0.035 4.387 12.848 1.00 60.21 C ATOM 333 C LYS A 22 0.235 5.814 12.346 1.00 21.35 C ATOM 334 O LYS A 22 0.635 6.698 13.104 1.00 2.02 O ATOM 335 CB LYS A 22 -1.330 4.261 13.529 1.00 41.21 C ATOM 336 CG LYS A 22 -1.515 5.212 14.699 1.00 25.24 C ATOM 337 CD LYS A 22 -2.125 4.507 15.900 1.00 74.43 C ATOM 338 CE LYS A 22 -2.502 5.494 16.993 1.00 75.14 C ATOM 339 NZ LYS A 22 -1.463 5.567 18.057 1.00 14.24 N ATOM 0 H LYS A 22 0.847 4.078 14.755 1.00 1.54 H new ATOM 0 HA LYS A 22 0.071 3.712 11.993 1.00 60.21 H new ATOM 0 HB2 LYS A 22 -2.112 4.447 12.793 1.00 41.21 H new ATOM 0 HB3 LYS A 22 -1.459 3.237 13.880 1.00 41.21 H new ATOM 0 HG2 LYS A 22 -0.552 5.639 14.977 1.00 25.24 H new ATOM 0 HG3 LYS A 22 -2.156 6.040 14.398 1.00 25.24 H new ATOM 0 HD2 LYS A 22 -3.010 3.953 15.587 1.00 74.43 H new ATOM 0 HD3 LYS A 22 -1.416 3.779 16.294 1.00 74.43 H new ATOM 0 HE2 LYS A 22 -2.645 6.482 16.556 1.00 75.14 H new ATOM 0 HE3 LYS A 22 -3.454 5.200 17.435 1.00 75.14 H new ATOM 0 HZ1 LYS A 22 -1.757 6.251 18.783 1.00 14.24 H new ATOM 0 HZ2 LYS A 22 -1.345 4.630 18.492 1.00 14.24 H new ATOM 0 HZ3 LYS A 22 -0.560 5.872 17.640 1.00 14.24 H new ATOM 353 N VAL A 23 -0.048 6.032 11.066 1.00 2.41 N ATOM 354 CA VAL A 23 0.098 7.352 10.466 1.00 42.55 C ATOM 355 C VAL A 23 -1.256 8.032 10.294 1.00 2.02 C ATOM 356 O VAL A 23 -2.301 7.387 10.381 1.00 32.22 O ATOM 357 CB VAL A 23 0.797 7.271 9.095 1.00 12.21 C ATOM 358 CG1 VAL A 23 1.500 8.581 8.775 1.00 4.30 C ATOM 359 CG2 VAL A 23 1.777 6.108 9.065 1.00 70.44 C ATOM 0 H VAL A 23 -0.380 5.311 10.425 1.00 2.41 H new ATOM 0 HA VAL A 23 0.713 7.942 11.146 1.00 42.55 H new ATOM 0 HB VAL A 23 0.040 7.098 8.330 1.00 12.21 H new ATOM 0 HG11 VAL A 23 1.988 8.504 7.803 1.00 4.30 H new ATOM 0 HG12 VAL A 23 0.770 9.390 8.752 1.00 4.30 H new ATOM 0 HG13 VAL A 23 2.247 8.789 9.541 1.00 4.30 H new ATOM 0 HG21 VAL A 23 2.262 6.066 8.090 1.00 70.44 H new ATOM 0 HG22 VAL A 23 2.531 6.248 9.839 1.00 70.44 H new ATOM 0 HG23 VAL A 23 1.241 5.176 9.245 1.00 70.44 H new ATOM 369 N LYS A 24 -1.230 9.337 10.049 1.00 1.05 N ATOM 370 CA LYS A 24 -2.455 10.106 9.864 1.00 71.10 C ATOM 371 C LYS A 24 -2.346 11.016 8.645 1.00 12.22 C ATOM 372 O LYS A 24 -1.263 11.497 8.311 1.00 74.12 O ATOM 373 CB LYS A 24 -2.754 10.939 11.112 1.00 43.41 C ATOM 374 CG LYS A 24 -3.661 12.128 10.847 1.00 22.23 C ATOM 375 CD LYS A 24 -5.087 11.688 10.561 1.00 70.21 C ATOM 376 CE LYS A 24 -5.778 12.634 9.591 1.00 34.22 C ATOM 377 NZ LYS A 24 -6.921 13.345 10.229 1.00 4.32 N ATOM 0 H LYS A 24 -0.373 9.885 9.974 1.00 1.05 H new ATOM 0 HA LYS A 24 -3.273 9.405 9.700 1.00 71.10 H new ATOM 0 HB2 LYS A 24 -3.218 10.299 11.863 1.00 43.41 H new ATOM 0 HB3 LYS A 24 -1.815 11.296 11.534 1.00 43.41 H new ATOM 0 HG2 LYS A 24 -3.651 12.794 11.710 1.00 22.23 H new ATOM 0 HG3 LYS A 24 -3.278 12.697 10.000 1.00 22.23 H new ATOM 0 HD2 LYS A 24 -5.082 10.680 10.146 1.00 70.21 H new ATOM 0 HD3 LYS A 24 -5.650 11.646 11.493 1.00 70.21 H new ATOM 0 HE2 LYS A 24 -5.058 13.363 9.220 1.00 34.22 H new ATOM 0 HE3 LYS A 24 -6.136 12.072 8.728 1.00 34.22 H new ATOM 0 HZ1 LYS A 24 -7.366 13.980 9.536 1.00 4.32 H new ATOM 0 HZ2 LYS A 24 -7.620 12.650 10.561 1.00 4.32 H new ATOM 0 HZ3 LYS A 24 -6.576 13.902 11.037 1.00 4.32 H new ATOM 391 N LYS A 25 -3.475 11.251 7.984 1.00 12.34 N ATOM 392 CA LYS A 25 -3.508 12.108 6.804 1.00 22.25 C ATOM 393 C LYS A 25 -3.007 13.509 7.135 1.00 33.24 C ATOM 394 O LYS A 25 -3.759 14.347 7.632 1.00 34.24 O ATOM 395 CB LYS A 25 -4.930 12.181 6.243 1.00 54.11 C ATOM 396 CG LYS A 25 -5.546 10.821 5.965 1.00 60.44 C ATOM 397 CD LYS A 25 -7.042 10.925 5.722 1.00 10.23 C ATOM 398 CE LYS A 25 -7.542 9.801 4.828 1.00 25.43 C ATOM 399 NZ LYS A 25 -8.582 10.272 3.873 1.00 40.43 N ATOM 0 H LYS A 25 -4.380 10.860 8.246 1.00 12.34 H new ATOM 0 HA LYS A 25 -2.849 11.675 6.052 1.00 22.25 H new ATOM 0 HB2 LYS A 25 -5.563 12.719 6.949 1.00 54.11 H new ATOM 0 HB3 LYS A 25 -4.918 12.760 5.320 1.00 54.11 H new ATOM 0 HG2 LYS A 25 -5.065 10.374 5.095 1.00 60.44 H new ATOM 0 HG3 LYS A 25 -5.359 10.157 6.809 1.00 60.44 H new ATOM 0 HD2 LYS A 25 -7.569 10.895 6.675 1.00 10.23 H new ATOM 0 HD3 LYS A 25 -7.271 11.886 5.262 1.00 10.23 H new ATOM 0 HE2 LYS A 25 -6.704 9.379 4.273 1.00 25.43 H new ATOM 0 HE3 LYS A 25 -7.951 9.001 5.445 1.00 25.43 H new ATOM 0 HZ1 LYS A 25 -8.897 9.476 3.282 1.00 40.43 H new ATOM 0 HZ2 LYS A 25 -9.393 10.652 4.402 1.00 40.43 H new ATOM 0 HZ3 LYS A 25 -8.184 11.018 3.267 1.00 40.43 H new ATOM 413 N GLY A 26 -1.732 13.759 6.854 1.00 20.10 N ATOM 414 CA GLY A 26 -1.153 15.062 7.127 1.00 73.51 C ATOM 415 C GLY A 26 -0.358 15.085 8.417 1.00 24.55 C ATOM 416 O GLY A 26 -0.053 16.152 8.946 1.00 0.13 O ATOM 0 H GLY A 26 -1.089 13.083 6.442 1.00 20.10 H new ATOM 0 HA2 GLY A 26 -0.504 15.348 6.299 1.00 73.51 H new ATOM 0 HA3 GLY A 26 -1.948 15.805 7.181 1.00 73.51 H new ATOM 420 N GLN A 27 -0.024 13.902 8.925 1.00 15.22 N ATOM 421 CA GLN A 27 0.739 13.792 10.163 1.00 60.41 C ATOM 422 C GLN A 27 2.235 13.907 9.892 1.00 24.42 C ATOM 423 O GLN A 27 2.784 13.185 9.059 1.00 50.52 O ATOM 424 CB GLN A 27 0.434 12.462 10.856 1.00 5.43 C ATOM 425 CG GLN A 27 0.262 12.587 12.362 1.00 12.32 C ATOM 426 CD GLN A 27 0.873 11.423 13.117 1.00 11.32 C ATOM 427 OE1 GLN A 27 0.549 10.207 12.694 1.00 23.34 O flip ATOM 428 NE2 GLN A 27 1.628 11.615 14.071 1.00 61.21 N flip ATOM 0 H GLN A 27 -0.269 13.008 8.499 1.00 15.22 H new ATOM 0 HA GLN A 27 0.444 14.612 10.818 1.00 60.41 H new ATOM 0 HB2 GLN A 27 -0.475 12.039 10.429 1.00 5.43 H new ATOM 0 HB3 GLN A 27 1.241 11.760 10.648 1.00 5.43 H new ATOM 0 HG2 GLN A 27 0.721 13.516 12.701 1.00 12.32 H new ATOM 0 HG3 GLN A 27 -0.800 12.651 12.599 1.00 12.32 H new ATOM 0 HE21 GLN A 27 1.850 12.567 14.362 1.00 61.21 H new ATOM 0 HE22 GLN A 27 2.031 10.822 14.570 1.00 61.21 H new ATOM 437 N THR A 28 2.891 14.818 10.604 1.00 51.31 N ATOM 438 CA THR A 28 4.324 15.029 10.439 1.00 20.13 C ATOM 439 C THR A 28 5.106 13.761 10.757 1.00 64.12 C ATOM 440 O THR A 28 4.745 13.005 11.660 1.00 11.24 O ATOM 441 CB THR A 28 4.830 16.170 11.341 1.00 3.53 C ATOM 442 OG1 THR A 28 3.791 17.135 11.543 1.00 61.03 O ATOM 443 CG2 THR A 28 6.046 16.848 10.726 1.00 24.24 C ATOM 0 H THR A 28 2.453 15.421 11.300 1.00 51.31 H new ATOM 0 HA THR A 28 4.486 15.300 9.396 1.00 20.13 H new ATOM 0 HB THR A 28 5.118 15.742 12.301 1.00 3.53 H new ATOM 0 HG1 THR A 28 4.121 17.856 12.119 1.00 61.03 H new ATOM 0 HG21 THR A 28 6.385 17.650 11.381 1.00 24.24 H new ATOM 0 HG22 THR A 28 6.846 16.118 10.602 1.00 24.24 H new ATOM 0 HG23 THR A 28 5.779 17.262 9.754 1.00 24.24 H new ATOM 451 N LEU A 29 6.181 13.531 10.010 1.00 20.14 N ATOM 452 CA LEU A 29 7.017 12.352 10.213 1.00 31.34 C ATOM 453 C LEU A 29 8.496 12.718 10.159 1.00 22.13 C ATOM 454 O LEU A 29 9.308 12.174 10.908 1.00 5.22 O ATOM 455 CB LEU A 29 6.702 11.292 9.155 1.00 41.52 C ATOM 456 CG LEU A 29 5.221 10.990 8.926 1.00 21.25 C ATOM 457 CD1 LEU A 29 5.011 10.346 7.565 1.00 52.42 C ATOM 458 CD2 LEU A 29 4.683 10.092 10.032 1.00 54.54 C ATOM 0 H LEU A 29 6.494 14.145 9.258 1.00 20.14 H new ATOM 0 HA LEU A 29 6.799 11.947 11.201 1.00 31.34 H new ATOM 0 HB2 LEU A 29 7.137 11.612 8.208 1.00 41.52 H new ATOM 0 HB3 LEU A 29 7.201 10.365 9.438 1.00 41.52 H new ATOM 0 HG LEU A 29 4.671 11.931 8.948 1.00 21.25 H new ATOM 0 HD11 LEU A 29 3.951 10.139 7.420 1.00 52.42 H new ATOM 0 HD12 LEU A 29 5.358 11.023 6.785 1.00 52.42 H new ATOM 0 HD13 LEU A 29 5.574 9.414 7.513 1.00 52.42 H new ATOM 0 HD21 LEU A 29 3.627 9.887 9.853 1.00 54.54 H new ATOM 0 HD22 LEU A 29 5.238 9.154 10.041 1.00 54.54 H new ATOM 0 HD23 LEU A 29 4.798 10.591 10.994 1.00 54.54 H new ATOM 470 N PHE A 30 8.840 13.644 9.271 1.00 75.22 N ATOM 471 CA PHE A 30 10.222 14.084 9.120 1.00 0.34 C ATOM 472 C PHE A 30 10.286 15.573 8.795 1.00 12.32 C ATOM 473 O PHE A 30 9.257 16.226 8.619 1.00 50.24 O ATOM 474 CB PHE A 30 10.918 13.279 8.021 1.00 41.41 C ATOM 475 CG PHE A 30 10.873 11.794 8.243 1.00 11.34 C ATOM 476 CD1 PHE A 30 9.761 11.058 7.868 1.00 43.31 C ATOM 477 CD2 PHE A 30 11.942 11.136 8.831 1.00 73.32 C ATOM 478 CE1 PHE A 30 9.717 9.691 8.072 1.00 40.24 C ATOM 479 CE2 PHE A 30 11.903 9.770 9.036 1.00 5.31 C ATOM 480 CZ PHE A 30 10.789 9.047 8.657 1.00 23.11 C ATOM 0 H PHE A 30 8.180 14.105 8.644 1.00 75.22 H new ATOM 0 HA PHE A 30 10.737 13.915 10.066 1.00 0.34 H new ATOM 0 HB2 PHE A 30 10.452 13.509 7.063 1.00 41.41 H new ATOM 0 HB3 PHE A 30 11.959 13.596 7.953 1.00 41.41 H new ATOM 0 HD1 PHE A 30 8.919 11.557 7.411 1.00 43.31 H new ATOM 0 HD2 PHE A 30 12.814 11.697 9.132 1.00 73.32 H new ATOM 0 HE1 PHE A 30 8.845 9.128 7.774 1.00 40.24 H new ATOM 0 HE2 PHE A 30 12.743 9.268 9.492 1.00 5.31 H new ATOM 0 HZ PHE A 30 10.756 7.980 8.818 1.00 23.11 H new ATOM 490 N ILE A 31 11.502 16.104 8.719 1.00 41.12 N ATOM 491 CA ILE A 31 11.701 17.515 8.414 1.00 10.11 C ATOM 492 C ILE A 31 12.992 17.732 7.633 1.00 43.35 C ATOM 493 O ILE A 31 14.052 17.234 8.014 1.00 51.42 O ATOM 494 CB ILE A 31 11.742 18.367 9.697 1.00 32.41 C ATOM 495 CG1 ILE A 31 10.493 18.115 10.542 1.00 32.52 C ATOM 496 CG2 ILE A 31 11.863 19.844 9.348 1.00 24.31 C ATOM 497 CD1 ILE A 31 10.436 18.950 11.802 1.00 52.43 C ATOM 0 H ILE A 31 12.364 15.578 8.864 1.00 41.12 H new ATOM 0 HA ILE A 31 10.853 17.829 7.805 1.00 10.11 H new ATOM 0 HB ILE A 31 12.617 18.078 10.280 1.00 32.41 H new ATOM 0 HG12 ILE A 31 9.609 18.321 9.939 1.00 32.52 H new ATOM 0 HG13 ILE A 31 10.455 17.060 10.813 1.00 32.52 H new ATOM 0 HG21 ILE A 31 11.891 20.433 10.265 1.00 24.31 H new ATOM 0 HG22 ILE A 31 12.779 20.010 8.782 1.00 24.31 H new ATOM 0 HG23 ILE A 31 11.005 20.147 8.747 1.00 24.31 H new ATOM 0 HD11 ILE A 31 9.523 18.718 12.351 1.00 52.43 H new ATOM 0 HD12 ILE A 31 11.301 18.727 12.426 1.00 52.43 H new ATOM 0 HD13 ILE A 31 10.442 20.008 11.538 1.00 52.43 H new ATOM 509 N ILE A 32 12.896 18.479 6.537 1.00 4.14 N ATOM 510 CA ILE A 32 14.057 18.764 5.703 1.00 3.33 C ATOM 511 C ILE A 32 14.056 20.216 5.238 1.00 1.33 C ATOM 512 O ILE A 32 13.011 20.767 4.894 1.00 53.44 O ATOM 513 CB ILE A 32 14.105 17.842 4.471 1.00 54.13 C ATOM 514 CG1 ILE A 32 14.536 16.432 4.877 1.00 1.24 C ATOM 515 CG2 ILE A 32 15.049 18.409 3.422 1.00 44.53 C ATOM 516 CD1 ILE A 32 13.704 15.339 4.244 1.00 72.04 C ATOM 0 H ILE A 32 12.026 18.897 6.207 1.00 4.14 H new ATOM 0 HA ILE A 32 14.939 18.582 6.317 1.00 3.33 H new ATOM 0 HB ILE A 32 13.106 17.785 4.040 1.00 54.13 H new ATOM 0 HG12 ILE A 32 15.581 16.287 4.602 1.00 1.24 H new ATOM 0 HG13 ILE A 32 14.476 16.341 5.962 1.00 1.24 H new ATOM 0 HG21 ILE A 32 15.072 17.746 2.557 1.00 44.53 H new ATOM 0 HG22 ILE A 32 14.701 19.395 3.114 1.00 44.53 H new ATOM 0 HG23 ILE A 32 16.051 18.493 3.842 1.00 44.53 H new ATOM 0 HD11 ILE A 32 14.067 14.367 4.577 1.00 72.04 H new ATOM 0 HD12 ILE A 32 12.662 15.458 4.539 1.00 72.04 H new ATOM 0 HD13 ILE A 32 13.783 15.404 3.159 1.00 72.04 H new ATOM 528 N GLU A 33 15.236 20.831 5.232 1.00 72.43 N ATOM 529 CA GLU A 33 15.370 22.219 4.808 1.00 53.02 C ATOM 530 C GLU A 33 15.933 22.304 3.393 1.00 52.14 C ATOM 531 O GLU A 33 16.914 21.638 3.063 1.00 43.30 O ATOM 532 CB GLU A 33 16.275 22.985 5.775 1.00 4.41 C ATOM 533 CG GLU A 33 17.757 22.723 5.559 1.00 14.44 C ATOM 534 CD GLU A 33 18.365 23.644 4.519 1.00 40.32 C ATOM 535 OE1 GLU A 33 17.948 24.820 4.452 1.00 64.24 O ATOM 536 OE2 GLU A 33 19.259 23.190 3.774 1.00 33.11 O ATOM 0 H GLU A 33 16.111 20.390 5.516 1.00 72.43 H new ATOM 0 HA GLU A 33 14.378 22.671 4.813 1.00 53.02 H new ATOM 0 HB2 GLU A 33 16.084 24.053 5.669 1.00 4.41 H new ATOM 0 HB3 GLU A 33 16.012 22.714 6.797 1.00 4.41 H new ATOM 0 HG2 GLU A 33 18.286 22.848 6.504 1.00 14.44 H new ATOM 0 HG3 GLU A 33 17.898 21.687 5.249 1.00 14.44 H new ATOM 543 N GLN A 34 15.304 23.127 2.560 1.00 14.53 N ATOM 544 CA GLN A 34 15.742 23.298 1.179 1.00 30.54 C ATOM 545 C GLN A 34 15.735 24.772 0.784 1.00 25.43 C ATOM 546 O GLN A 34 15.451 25.643 1.606 1.00 2.10 O ATOM 547 CB GLN A 34 14.841 22.501 0.234 1.00 33.13 C ATOM 548 CG GLN A 34 13.452 23.099 0.068 1.00 23.10 C ATOM 549 CD GLN A 34 12.663 23.109 1.362 1.00 23.24 C ATOM 550 OE1 GLN A 34 12.663 21.983 2.065 1.00 54.03 O flip ATOM 551 NE2 GLN A 34 12.059 24.118 1.727 1.00 25.24 N flip ATOM 0 H GLN A 34 14.490 23.686 2.817 1.00 14.53 H new ATOM 0 HA GLN A 34 16.763 22.924 1.099 1.00 30.54 H new ATOM 0 HB2 GLN A 34 15.319 22.438 -0.743 1.00 33.13 H new ATOM 0 HB3 GLN A 34 14.746 21.482 0.609 1.00 33.13 H new ATOM 0 HG2 GLN A 34 13.542 24.119 -0.306 1.00 23.10 H new ATOM 0 HG3 GLN A 34 12.903 22.531 -0.683 1.00 23.10 H new ATOM 0 HE21 GLN A 34 12.085 24.963 1.156 1.00 25.24 H new ATOM 0 HE22 GLN A 34 11.532 24.109 2.600 1.00 25.24 H new ATOM 701 N SER A 44 19.930 33.421 5.002 1.00 12.31 N ATOM 702 CA SER A 44 21.256 33.737 5.519 1.00 25.43 C ATOM 703 C SER A 44 21.352 35.208 5.910 1.00 74.22 C ATOM 704 O SER A 44 21.853 36.034 5.147 1.00 44.22 O ATOM 705 CB SER A 44 22.326 33.403 4.477 1.00 0.10 C ATOM 706 OG SER A 44 22.208 34.241 3.340 1.00 33.41 O ATOM 0 HA SER A 44 21.425 33.132 6.410 1.00 25.43 H new ATOM 0 HB2 SER A 44 23.316 33.519 4.917 1.00 0.10 H new ATOM 0 HB3 SER A 44 22.232 32.360 4.175 1.00 0.10 H new ATOM 0 HG SER A 44 22.232 35.179 3.621 1.00 33.41 H new ATOM 712 N LYS A 45 20.866 35.529 7.104 1.00 3.31 N ATOM 713 CA LYS A 45 20.896 36.901 7.599 1.00 23.23 C ATOM 714 C LYS A 45 22.292 37.272 8.087 1.00 44.34 C ATOM 715 O LYS A 45 22.828 38.319 7.724 1.00 4.33 O ATOM 716 CB LYS A 45 19.885 37.077 8.734 1.00 52.21 C ATOM 717 CG LYS A 45 18.572 36.350 8.498 1.00 71.13 C ATOM 718 CD LYS A 45 18.485 35.075 9.321 1.00 53.21 C ATOM 719 CE LYS A 45 17.688 33.999 8.598 1.00 30.14 C ATOM 720 NZ LYS A 45 16.365 34.504 8.137 1.00 3.15 N ATOM 0 H LYS A 45 20.446 34.858 7.747 1.00 3.31 H new ATOM 0 HA LYS A 45 20.629 37.564 6.776 1.00 23.23 H new ATOM 0 HB2 LYS A 45 20.328 36.717 9.663 1.00 52.21 H new ATOM 0 HB3 LYS A 45 19.683 38.140 8.868 1.00 52.21 H new ATOM 0 HG2 LYS A 45 17.740 37.007 8.754 1.00 71.13 H new ATOM 0 HG3 LYS A 45 18.474 36.108 7.440 1.00 71.13 H new ATOM 0 HD2 LYS A 45 19.489 34.707 9.531 1.00 53.21 H new ATOM 0 HD3 LYS A 45 18.018 35.292 10.282 1.00 53.21 H new ATOM 0 HE2 LYS A 45 18.258 33.639 7.741 1.00 30.14 H new ATOM 0 HE3 LYS A 45 17.540 33.148 9.263 1.00 30.14 H new ATOM 0 HZ1 LYS A 45 15.693 33.713 8.077 1.00 3.15 H new ATOM 0 HZ2 LYS A 45 16.009 35.211 8.812 1.00 3.15 H new ATOM 0 HZ3 LYS A 45 16.468 34.942 7.199 1.00 3.15 H new ATOM 734 N ALA A 46 22.878 36.407 8.910 1.00 34.21 N ATOM 735 CA ALA A 46 24.213 36.644 9.443 1.00 25.23 C ATOM 736 C ALA A 46 24.988 35.337 9.583 1.00 72.23 C ATOM 737 O ALA A 46 24.445 34.255 9.359 1.00 70.31 O ATOM 738 CB ALA A 46 24.126 37.353 10.787 1.00 44.11 C ATOM 0 H ALA A 46 22.448 35.536 9.221 1.00 34.21 H new ATOM 0 HA ALA A 46 24.750 37.282 8.741 1.00 25.23 H new ATOM 0 HB1 ALA A 46 25.131 37.524 11.174 1.00 44.11 H new ATOM 0 HB2 ALA A 46 23.618 38.309 10.662 1.00 44.11 H new ATOM 0 HB3 ALA A 46 23.567 36.734 11.489 1.00 44.11 H new ATOM 744 N LEU A 47 26.259 35.446 9.951 1.00 21.43 N ATOM 745 CA LEU A 47 27.110 34.272 10.120 1.00 52.54 C ATOM 746 C LEU A 47 27.695 34.221 11.527 1.00 42.10 C ATOM 747 O LEU A 47 28.786 33.690 11.739 1.00 74.50 O ATOM 748 CB LEU A 47 28.237 34.284 9.086 1.00 62.24 C ATOM 749 CG LEU A 47 27.804 34.312 7.620 1.00 60.25 C ATOM 750 CD1 LEU A 47 29.013 34.205 6.704 1.00 73.11 C ATOM 751 CD2 LEU A 47 26.816 33.191 7.335 1.00 73.44 C ATOM 0 H LEU A 47 26.724 36.334 10.138 1.00 21.43 H new ATOM 0 HA LEU A 47 26.497 33.384 9.970 1.00 52.54 H new ATOM 0 HB2 LEU A 47 28.866 35.154 9.275 1.00 62.24 H new ATOM 0 HB3 LEU A 47 28.857 33.402 9.244 1.00 62.24 H new ATOM 0 HG LEU A 47 27.310 35.264 7.425 1.00 60.25 H new ATOM 0 HD11 LEU A 47 28.685 34.227 5.665 1.00 73.11 H new ATOM 0 HD12 LEU A 47 29.686 35.042 6.890 1.00 73.11 H new ATOM 0 HD13 LEU A 47 29.536 33.269 6.900 1.00 73.11 H new ATOM 0 HD21 LEU A 47 26.518 33.226 6.287 1.00 73.44 H new ATOM 0 HD22 LEU A 47 27.285 32.230 7.547 1.00 73.44 H new ATOM 0 HD23 LEU A 47 25.936 33.313 7.966 1.00 73.44 H new ATOM 763 N PHE A 48 26.963 34.775 12.488 1.00 60.22 N ATOM 764 CA PHE A 48 27.408 34.791 13.876 1.00 54.44 C ATOM 765 C PHE A 48 28.828 35.339 13.984 1.00 21.03 C ATOM 766 O PHE A 48 29.764 34.607 14.304 1.00 4.24 O ATOM 767 CB PHE A 48 27.346 33.383 14.471 1.00 32.20 C ATOM 768 CG PHE A 48 26.079 32.648 14.138 1.00 62.21 C ATOM 769 CD1 PHE A 48 24.890 32.966 14.774 1.00 72.22 C ATOM 770 CD2 PHE A 48 26.078 31.638 13.188 1.00 14.03 C ATOM 771 CE1 PHE A 48 23.724 32.290 14.471 1.00 71.45 C ATOM 772 CE2 PHE A 48 24.913 30.959 12.880 1.00 54.53 C ATOM 773 CZ PHE A 48 23.735 31.286 13.521 1.00 72.13 C ATOM 0 H PHE A 48 26.058 35.219 12.330 1.00 60.22 H new ATOM 0 HA PHE A 48 26.741 35.444 14.438 1.00 54.44 H new ATOM 0 HB2 PHE A 48 28.197 32.806 14.109 1.00 32.20 H new ATOM 0 HB3 PHE A 48 27.444 33.450 15.555 1.00 32.20 H new ATOM 0 HD1 PHE A 48 24.875 33.751 15.515 1.00 72.22 H new ATOM 0 HD2 PHE A 48 26.997 31.379 12.683 1.00 14.03 H new ATOM 0 HE1 PHE A 48 22.804 32.546 14.976 1.00 71.45 H new ATOM 0 HE2 PHE A 48 24.925 30.174 12.139 1.00 54.53 H new ATOM 0 HZ PHE A 48 22.824 30.758 13.281 1.00 72.13 H new ATOM 783 N SER A 49 28.980 36.632 13.715 1.00 2.25 N ATOM 784 CA SER A 49 30.286 37.278 13.779 1.00 71.32 C ATOM 785 C SER A 49 30.497 37.944 15.135 1.00 52.52 C ATOM 786 O SER A 49 29.643 37.863 16.018 1.00 43.32 O ATOM 787 CB SER A 49 30.420 38.315 12.661 1.00 23.04 C ATOM 788 OG SER A 49 31.680 38.213 12.020 1.00 13.02 O ATOM 0 H SER A 49 28.215 37.253 13.451 1.00 2.25 H new ATOM 0 HA SER A 49 31.050 36.512 13.648 1.00 71.32 H new ATOM 0 HB2 SER A 49 29.624 38.172 11.930 1.00 23.04 H new ATOM 0 HB3 SER A 49 30.298 39.317 13.073 1.00 23.04 H new ATOM 0 HG SER A 49 31.741 38.885 11.309 1.00 13.02 H new ATOM 794 N GLN A 50 31.641 38.603 15.291 1.00 11.40 N ATOM 795 CA GLN A 50 31.966 39.284 16.539 1.00 22.54 C ATOM 796 C GLN A 50 30.833 40.214 16.962 1.00 3.55 C ATOM 797 O GLN A 50 30.609 40.432 18.153 1.00 15.52 O ATOM 798 CB GLN A 50 33.265 40.076 16.390 1.00 44.13 C ATOM 799 CG GLN A 50 34.092 40.136 17.664 1.00 62.42 C ATOM 800 CD GLN A 50 35.583 40.099 17.395 1.00 32.44 C ATOM 801 OE1 GLN A 50 36.051 40.570 16.357 1.00 33.53 O ATOM 802 NE2 GLN A 50 36.340 39.537 18.329 1.00 30.45 N ATOM 0 H GLN A 50 32.358 38.680 14.569 1.00 11.40 H new ATOM 0 HA GLN A 50 32.098 38.528 17.313 1.00 22.54 H new ATOM 0 HB2 GLN A 50 33.865 39.628 15.598 1.00 44.13 H new ATOM 0 HB3 GLN A 50 33.027 41.091 16.073 1.00 44.13 H new ATOM 0 HG2 GLN A 50 33.848 41.048 18.208 1.00 62.42 H new ATOM 0 HG3 GLN A 50 33.822 39.299 18.307 1.00 62.42 H new ATOM 0 HE21 GLN A 50 35.911 39.159 19.174 1.00 30.45 H new ATOM 0 HE22 GLN A 50 37.351 39.483 18.202 1.00 30.45 H new ATOM 811 N SER A 51 30.124 40.760 15.980 1.00 42.10 N ATOM 812 CA SER A 51 29.018 41.671 16.251 1.00 42.33 C ATOM 813 C SER A 51 28.198 41.918 14.988 1.00 13.44 C ATOM 814 O SER A 51 28.059 43.056 14.538 1.00 1.02 O ATOM 815 CB SER A 51 29.545 42.998 16.798 1.00 2.32 C ATOM 816 OG SER A 51 29.796 42.912 18.191 1.00 65.43 O ATOM 0 H SER A 51 30.295 40.588 14.989 1.00 42.10 H new ATOM 0 HA SER A 51 28.373 41.209 16.999 1.00 42.33 H new ATOM 0 HB2 SER A 51 30.462 43.271 16.276 1.00 2.32 H new ATOM 0 HB3 SER A 51 28.820 43.789 16.604 1.00 2.32 H new ATOM 0 HG SER A 51 29.765 41.974 18.472 1.00 65.43 H new ATOM 822 N ALA A 52 27.657 40.846 14.421 1.00 23.40 N ATOM 823 CA ALA A 52 26.848 40.946 13.213 1.00 42.12 C ATOM 824 C ALA A 52 25.556 41.709 13.479 1.00 74.24 C ATOM 825 O ALA A 52 25.282 42.727 12.841 1.00 45.20 O ATOM 826 CB ALA A 52 26.542 39.558 12.666 1.00 11.51 C ATOM 0 H ALA A 52 27.764 39.897 14.779 1.00 23.40 H new ATOM 0 HA ALA A 52 27.419 41.500 12.468 1.00 42.12 H new ATOM 0 HB1 ALA A 52 25.937 39.648 11.764 1.00 11.51 H new ATOM 0 HB2 ALA A 52 27.475 39.047 12.428 1.00 11.51 H new ATOM 0 HB3 ALA A 52 25.995 38.985 13.414 1.00 11.51 H new ATOM 832 N ILE A 53 24.763 41.212 14.422 1.00 43.00 N ATOM 833 CA ILE A 53 23.499 41.847 14.771 1.00 11.40 C ATOM 834 C ILE A 53 23.388 42.058 16.278 1.00 54.34 C ATOM 835 O ILE A 53 24.105 41.431 17.057 1.00 31.24 O ATOM 836 CB ILE A 53 22.297 41.013 14.291 1.00 52.15 C ATOM 837 CG1 ILE A 53 22.536 39.528 14.568 1.00 3.10 C ATOM 838 CG2 ILE A 53 22.049 41.248 12.809 1.00 72.24 C ATOM 839 CD1 ILE A 53 21.289 38.783 14.988 1.00 33.23 C ATOM 0 H ILE A 53 24.974 40.371 14.958 1.00 43.00 H new ATOM 0 HA ILE A 53 23.483 42.814 14.268 1.00 11.40 H new ATOM 0 HB ILE A 53 21.411 41.328 14.842 1.00 52.15 H new ATOM 0 HG12 ILE A 53 22.944 39.061 13.672 1.00 3.10 H new ATOM 0 HG13 ILE A 53 23.289 39.429 15.350 1.00 3.10 H new ATOM 0 HG21 ILE A 53 21.196 40.652 12.484 1.00 72.24 H new ATOM 0 HG22 ILE A 53 21.840 42.304 12.638 1.00 72.24 H new ATOM 0 HG23 ILE A 53 22.933 40.957 12.242 1.00 72.24 H new ATOM 0 HD11 ILE A 53 21.534 37.736 15.168 1.00 33.23 H new ATOM 0 HD12 ILE A 53 20.892 39.225 15.902 1.00 33.23 H new ATOM 0 HD13 ILE A 53 20.541 38.850 14.198 1.00 33.23 H new ATOM 851 N SER A 54 22.483 42.945 16.680 1.00 41.24 N ATOM 852 CA SER A 54 22.278 43.241 18.094 1.00 71.23 C ATOM 853 C SER A 54 21.074 42.479 18.639 1.00 50.11 C ATOM 854 O SER A 54 19.929 42.888 18.446 1.00 1.54 O ATOM 855 CB SER A 54 22.081 44.743 18.298 1.00 55.31 C ATOM 856 OG SER A 54 22.765 45.195 19.455 1.00 33.52 O ATOM 0 H SER A 54 21.880 43.471 16.047 1.00 41.24 H new ATOM 0 HA SER A 54 23.166 42.921 18.640 1.00 71.23 H new ATOM 0 HB2 SER A 54 22.444 45.283 17.423 1.00 55.31 H new ATOM 0 HB3 SER A 54 21.018 44.964 18.391 1.00 55.31 H new ATOM 0 HG SER A 54 22.625 46.159 19.562 1.00 33.52 H new ATOM 862 N GLN A 55 21.342 41.369 19.319 1.00 15.31 N ATOM 863 CA GLN A 55 20.280 40.550 19.892 1.00 60.11 C ATOM 864 C GLN A 55 19.351 41.393 20.759 1.00 61.50 C ATOM 865 O GLN A 55 18.166 41.087 20.896 1.00 23.42 O ATOM 866 CB GLN A 55 20.877 39.411 20.721 1.00 32.00 C ATOM 867 CG GLN A 55 21.798 38.499 19.926 1.00 23.12 C ATOM 868 CD GLN A 55 22.599 37.565 20.812 1.00 51.04 C ATOM 869 OE1 GLN A 55 22.259 36.392 20.965 1.00 73.52 O ATOM 870 NE2 GLN A 55 23.671 38.082 21.400 1.00 45.04 N ATOM 0 H GLN A 55 22.284 41.016 19.487 1.00 15.31 H new ATOM 0 HA GLN A 55 19.698 40.127 19.073 1.00 60.11 H new ATOM 0 HB2 GLN A 55 21.432 39.834 21.558 1.00 32.00 H new ATOM 0 HB3 GLN A 55 20.067 38.817 21.144 1.00 32.00 H new ATOM 0 HG2 GLN A 55 21.205 37.910 19.226 1.00 23.12 H new ATOM 0 HG3 GLN A 55 22.481 39.106 19.333 1.00 23.12 H new ATOM 0 HE21 GLN A 55 23.916 39.060 21.245 1.00 45.04 H new ATOM 0 HE22 GLN A 55 24.250 37.501 22.007 1.00 45.04 H new ATOM 879 N LYS A 56 19.895 42.455 21.343 1.00 32.43 N ATOM 880 CA LYS A 56 19.114 43.343 22.197 1.00 45.23 C ATOM 881 C LYS A 56 17.876 43.851 21.466 1.00 22.12 C ATOM 882 O LYS A 56 16.856 44.145 22.088 1.00 50.20 O ATOM 883 CB LYS A 56 19.970 44.526 22.655 1.00 44.43 C ATOM 884 CG LYS A 56 21.310 44.116 23.243 1.00 61.14 C ATOM 885 CD LYS A 56 21.706 45.010 24.407 1.00 73.54 C ATOM 886 CE LYS A 56 23.011 45.740 24.130 1.00 40.11 C ATOM 887 NZ LYS A 56 22.979 47.142 24.632 1.00 41.02 N ATOM 0 H LYS A 56 20.874 42.722 21.241 1.00 32.43 H new ATOM 0 HA LYS A 56 18.791 42.776 23.070 1.00 45.23 H new ATOM 0 HB2 LYS A 56 20.142 45.189 21.807 1.00 44.43 H new ATOM 0 HB3 LYS A 56 19.416 45.098 23.399 1.00 44.43 H new ATOM 0 HG2 LYS A 56 21.259 43.080 23.579 1.00 61.14 H new ATOM 0 HG3 LYS A 56 22.077 44.163 22.470 1.00 61.14 H new ATOM 0 HD2 LYS A 56 20.915 45.736 24.595 1.00 73.54 H new ATOM 0 HD3 LYS A 56 21.809 44.409 25.310 1.00 73.54 H new ATOM 0 HE2 LYS A 56 23.834 45.204 24.602 1.00 40.11 H new ATOM 0 HE3 LYS A 56 23.205 45.742 23.057 1.00 40.11 H new ATOM 0 HZ1 LYS A 56 23.886 47.606 24.424 1.00 41.02 H new ATOM 0 HZ2 LYS A 56 22.209 47.661 24.163 1.00 41.02 H new ATOM 0 HZ3 LYS A 56 22.819 47.139 25.660 1.00 41.02 H new ATOM 901 N GLU A 57 17.973 43.949 20.144 1.00 2.11 N ATOM 902 CA GLU A 57 16.859 44.420 19.331 1.00 74.14 C ATOM 903 C GLU A 57 16.546 43.431 18.211 1.00 31.53 C ATOM 904 O GLU A 57 15.907 43.781 17.218 1.00 11.55 O ATOM 905 CB GLU A 57 17.178 45.794 18.736 1.00 5.14 C ATOM 906 CG GLU A 57 17.535 46.840 19.780 1.00 74.21 C ATOM 907 CD GLU A 57 16.920 48.194 19.481 1.00 24.31 C ATOM 908 OE1 GLU A 57 16.975 48.627 18.312 1.00 43.34 O ATOM 909 OE2 GLU A 57 16.382 48.820 20.420 1.00 74.44 O ATOM 0 H GLU A 57 18.811 43.709 19.614 1.00 2.11 H new ATOM 0 HA GLU A 57 15.983 44.504 19.975 1.00 74.14 H new ATOM 0 HB2 GLU A 57 18.007 45.694 18.035 1.00 5.14 H new ATOM 0 HB3 GLU A 57 16.318 46.142 18.164 1.00 5.14 H new ATOM 0 HG2 GLU A 57 17.199 46.500 20.760 1.00 74.21 H new ATOM 0 HG3 GLU A 57 18.619 46.941 19.833 1.00 74.21 H new ATOM 916 N TYR A 58 16.999 42.194 18.379 1.00 3.40 N ATOM 917 CA TYR A 58 16.771 41.154 17.383 1.00 1.54 C ATOM 918 C TYR A 58 16.451 39.820 18.051 1.00 53.11 C ATOM 919 O TYR A 58 16.890 39.552 19.170 1.00 41.30 O ATOM 920 CB TYR A 58 17.997 41.004 16.481 1.00 24.10 C ATOM 921 CG TYR A 58 17.826 41.633 15.117 1.00 43.12 C ATOM 922 CD1 TYR A 58 17.120 40.981 14.114 1.00 35.32 C ATOM 923 CD2 TYR A 58 18.373 42.878 14.830 1.00 24.01 C ATOM 924 CE1 TYR A 58 16.961 41.551 12.866 1.00 55.04 C ATOM 925 CE2 TYR A 58 18.218 43.455 13.586 1.00 53.44 C ATOM 926 CZ TYR A 58 17.512 42.789 12.606 1.00 4.23 C ATOM 927 OH TYR A 58 17.357 43.360 11.364 1.00 13.43 O ATOM 0 H TYR A 58 17.527 41.887 19.196 1.00 3.40 H new ATOM 0 HA TYR A 58 15.916 41.450 16.776 1.00 1.54 H new ATOM 0 HB2 TYR A 58 18.858 41.455 16.974 1.00 24.10 H new ATOM 0 HB3 TYR A 58 18.219 39.944 16.358 1.00 24.10 H new ATOM 0 HD1 TYR A 58 16.688 40.012 14.313 1.00 35.32 H new ATOM 0 HD2 TYR A 58 18.929 43.403 15.593 1.00 24.01 H new ATOM 0 HE1 TYR A 58 16.408 41.031 12.098 1.00 55.04 H new ATOM 0 HE2 TYR A 58 18.648 44.424 13.381 1.00 53.44 H new ATOM 0 HH TYR A 58 17.804 44.232 11.347 1.00 13.43 H new ATOM 937 N ASP A 59 15.683 38.989 17.358 1.00 61.34 N ATOM 938 CA ASP A 59 15.304 37.681 17.881 1.00 14.13 C ATOM 939 C ASP A 59 15.415 36.609 16.801 1.00 15.53 C ATOM 940 O ASP A 59 15.776 36.900 15.660 1.00 62.23 O ATOM 941 CB ASP A 59 13.877 37.722 18.431 1.00 40.44 C ATOM 942 CG ASP A 59 13.797 37.255 19.871 1.00 63.34 C ATOM 943 OD1 ASP A 59 14.592 37.747 20.698 1.00 24.43 O ATOM 944 OD2 ASP A 59 12.941 36.396 20.169 1.00 31.33 O ATOM 0 H ASP A 59 15.310 39.197 16.432 1.00 61.34 H new ATOM 0 HA ASP A 59 15.990 37.428 18.689 1.00 14.13 H new ATOM 0 HB2 ASP A 59 13.493 38.740 18.360 1.00 40.44 H new ATOM 0 HB3 ASP A 59 13.234 37.095 17.813 1.00 40.44 H new ATOM 949 N SER A 60 15.105 35.371 17.169 1.00 33.41 N ATOM 950 CA SER A 60 15.173 34.255 16.233 1.00 45.13 C ATOM 951 C SER A 60 13.811 33.991 15.600 1.00 42.42 C ATOM 952 O SER A 60 13.722 33.471 14.487 1.00 22.11 O ATOM 953 CB SER A 60 15.671 32.996 16.944 1.00 62.21 C ATOM 954 OG SER A 60 16.873 32.522 16.362 1.00 25.53 O ATOM 0 H SER A 60 14.804 35.115 18.109 1.00 33.41 H new ATOM 0 HA SER A 60 15.875 34.519 15.442 1.00 45.13 H new ATOM 0 HB2 SER A 60 15.835 33.212 18.000 1.00 62.21 H new ATOM 0 HB3 SER A 60 14.908 32.220 16.892 1.00 62.21 H new ATOM 0 HG SER A 60 17.171 31.718 16.836 1.00 25.53 H new ATOM 960 N SER A 61 12.752 34.353 16.316 1.00 4.42 N ATOM 961 CA SER A 61 11.393 34.153 15.827 1.00 2.31 C ATOM 962 C SER A 61 11.227 34.739 14.429 1.00 53.43 C ATOM 963 O SER A 61 10.477 34.212 13.606 1.00 65.12 O ATOM 964 CB SER A 61 10.385 34.792 16.784 1.00 1.22 C ATOM 965 OG SER A 61 9.981 36.068 16.321 1.00 33.24 O ATOM 0 H SER A 61 12.809 34.787 17.237 1.00 4.42 H new ATOM 0 HA SER A 61 11.205 33.080 15.777 1.00 2.31 H new ATOM 0 HB2 SER A 61 9.513 34.145 16.884 1.00 1.22 H new ATOM 0 HB3 SER A 61 10.828 34.885 17.775 1.00 1.22 H new ATOM 0 HG SER A 61 9.336 36.455 16.949 1.00 33.24 H new ATOM 971 N LEU A 62 11.930 35.835 14.167 1.00 53.31 N ATOM 972 CA LEU A 62 11.862 36.496 12.868 1.00 23.34 C ATOM 973 C LEU A 62 12.898 35.920 11.908 1.00 22.32 C ATOM 974 O LEU A 62 12.740 35.995 10.691 1.00 74.23 O ATOM 975 CB LEU A 62 12.080 38.002 13.027 1.00 72.50 C ATOM 976 CG LEU A 62 13.511 38.444 13.335 1.00 1.14 C ATOM 977 CD1 LEU A 62 14.082 39.249 12.179 1.00 61.23 C ATOM 978 CD2 LEU A 62 13.553 39.253 14.624 1.00 64.41 C ATOM 0 H LEU A 62 12.554 36.285 14.837 1.00 53.31 H new ATOM 0 HA LEU A 62 10.870 36.320 12.451 1.00 23.34 H new ATOM 0 HB2 LEU A 62 11.759 38.494 12.109 1.00 72.50 H new ATOM 0 HB3 LEU A 62 11.430 38.361 13.825 1.00 72.50 H new ATOM 0 HG LEU A 62 14.125 37.554 13.468 1.00 1.14 H new ATOM 0 HD11 LEU A 62 15.101 39.555 12.417 1.00 61.23 H new ATOM 0 HD12 LEU A 62 14.088 38.637 11.277 1.00 61.23 H new ATOM 0 HD13 LEU A 62 13.467 40.134 12.013 1.00 61.23 H new ATOM 0 HD21 LEU A 62 14.579 39.559 14.828 1.00 64.41 H new ATOM 0 HD22 LEU A 62 12.924 40.137 14.519 1.00 64.41 H new ATOM 0 HD23 LEU A 62 13.186 38.642 15.449 1.00 64.41 H new ATOM 990 N ALA A 63 13.957 35.342 12.466 1.00 20.41 N ATOM 991 CA ALA A 63 15.017 34.748 11.661 1.00 35.51 C ATOM 992 C ALA A 63 14.818 33.242 11.516 1.00 11.40 C ATOM 993 O ALA A 63 15.019 32.485 12.467 1.00 61.25 O ATOM 994 CB ALA A 63 16.376 35.047 12.274 1.00 71.31 C ATOM 0 H ALA A 63 14.103 35.273 13.473 1.00 20.41 H new ATOM 0 HA ALA A 63 14.975 35.191 10.666 1.00 35.51 H new ATOM 0 HB1 ALA A 63 17.158 34.597 11.662 1.00 71.31 H new ATOM 0 HB2 ALA A 63 16.526 36.126 12.319 1.00 71.31 H new ATOM 0 HB3 ALA A 63 16.420 34.633 13.281 1.00 71.31 H new ATOM 1000 N THR A 64 14.423 32.814 10.322 1.00 75.31 N ATOM 1001 CA THR A 64 14.195 31.399 10.053 1.00 1.42 C ATOM 1002 C THR A 64 14.972 30.941 8.825 1.00 45.33 C ATOM 1003 O THR A 64 15.709 31.719 8.218 1.00 51.43 O ATOM 1004 CB THR A 64 12.699 31.101 9.842 1.00 11.31 C ATOM 1005 OG1 THR A 64 12.138 32.041 8.919 1.00 13.34 O ATOM 1006 CG2 THR A 64 11.944 31.162 11.161 1.00 33.00 C ATOM 0 H THR A 64 14.254 33.427 9.525 1.00 75.31 H new ATOM 0 HA THR A 64 14.547 30.850 10.927 1.00 1.42 H new ATOM 0 HB THR A 64 12.605 30.094 9.435 1.00 11.31 H new ATOM 0 HG1 THR A 64 11.187 31.844 8.789 1.00 13.34 H new ATOM 0 HG21 THR A 64 10.889 30.948 10.987 1.00 33.00 H new ATOM 0 HG22 THR A 64 12.355 30.424 11.850 1.00 33.00 H new ATOM 0 HG23 THR A 64 12.046 32.158 11.593 1.00 33.00 H new ATOM 1045 N HIS A 67 11.706 25.570 6.504 1.00 40.43 N ATOM 1046 CA HIS A 67 11.847 24.121 6.432 1.00 65.03 C ATOM 1047 C HIS A 67 10.557 23.473 5.938 1.00 34.41 C ATOM 1048 O HIS A 67 9.460 23.974 6.194 1.00 42.32 O ATOM 1049 CB HIS A 67 12.224 23.554 7.800 1.00 22.05 C ATOM 1050 CG HIS A 67 13.568 24.004 8.286 1.00 34.54 C ATOM 1051 ND1 HIS A 67 14.514 24.766 7.690 1.00 51.15 N flip ATOM 1052 CD2 HIS A 67 14.072 23.669 9.525 1.00 11.11 C flip ATOM 1053 CE1 HIS A 67 15.562 24.877 8.571 1.00 52.55 C flip ATOM 1054 NE2 HIS A 67 15.269 24.206 9.671 1.00 52.33 N flip ATOM 0 HA HIS A 67 12.642 23.894 5.722 1.00 65.03 H new ATOM 0 HB2 HIS A 67 11.467 23.848 8.527 1.00 22.05 H new ATOM 0 HB3 HIS A 67 12.211 22.465 7.749 1.00 22.05 H new ATOM 0 HD2 HIS A 67 13.566 23.062 10.261 1.00 11.11 H new ATOM 0 HE1 HIS A 67 16.476 25.424 8.394 1.00 52.55 H new ATOM 0 HE2 HIS A 67 15.866 24.118 10.493 1.00 52.33 H new ATOM 1062 N THR A 68 10.693 22.357 5.228 1.00 0.12 N ATOM 1063 CA THR A 68 9.538 21.643 4.698 1.00 43.15 C ATOM 1064 C THR A 68 9.176 20.453 5.579 1.00 32.24 C ATOM 1065 O THR A 68 9.908 19.467 5.637 1.00 45.21 O ATOM 1066 CB THR A 68 9.797 21.145 3.264 1.00 64.14 C ATOM 1067 OG1 THR A 68 9.962 22.259 2.379 1.00 12.34 O ATOM 1068 CG2 THR A 68 8.649 20.272 2.778 1.00 10.21 C ATOM 0 H THR A 68 11.592 21.928 5.007 1.00 0.12 H new ATOM 0 HA THR A 68 8.707 22.349 4.686 1.00 43.15 H new ATOM 0 HB THR A 68 10.709 20.549 3.271 1.00 64.14 H new ATOM 0 HG1 THR A 68 10.128 21.933 1.470 1.00 12.34 H new ATOM 0 HG21 THR A 68 8.855 19.932 1.763 1.00 10.21 H new ATOM 0 HG22 THR A 68 8.545 19.409 3.435 1.00 10.21 H new ATOM 0 HG23 THR A 68 7.724 20.849 2.787 1.00 10.21 H new ATOM 1076 N GLU A 69 8.040 20.553 6.262 1.00 53.14 N ATOM 1077 CA GLU A 69 7.580 19.484 7.140 1.00 1.53 C ATOM 1078 C GLU A 69 7.135 18.270 6.331 1.00 64.51 C ATOM 1079 O GLU A 69 6.150 18.328 5.595 1.00 25.32 O ATOM 1080 CB GLU A 69 6.428 19.975 8.019 1.00 60.01 C ATOM 1081 CG GLU A 69 6.669 21.345 8.631 1.00 3.24 C ATOM 1082 CD GLU A 69 5.564 21.763 9.580 1.00 23.43 C ATOM 1083 OE1 GLU A 69 4.479 21.145 9.537 1.00 64.23 O ATOM 1084 OE2 GLU A 69 5.782 22.708 10.367 1.00 44.21 O ATOM 0 H GLU A 69 7.422 21.363 6.224 1.00 53.14 H new ATOM 0 HA GLU A 69 8.413 19.189 7.778 1.00 1.53 H new ATOM 0 HB2 GLU A 69 5.516 20.008 7.423 1.00 60.01 H new ATOM 0 HB3 GLU A 69 6.260 19.254 8.819 1.00 60.01 H new ATOM 0 HG2 GLU A 69 7.619 21.338 9.166 1.00 3.24 H new ATOM 0 HG3 GLU A 69 6.758 22.084 7.835 1.00 3.24 H new ATOM 1091 N ILE A 70 7.869 17.170 6.474 1.00 54.11 N ATOM 1092 CA ILE A 70 7.551 15.941 5.758 1.00 75.43 C ATOM 1093 C ILE A 70 6.358 15.230 6.390 1.00 41.10 C ATOM 1094 O ILE A 70 6.514 14.443 7.323 1.00 13.44 O ATOM 1095 CB ILE A 70 8.752 14.979 5.729 1.00 33.11 C ATOM 1096 CG1 ILE A 70 9.858 15.536 4.831 1.00 2.20 C ATOM 1097 CG2 ILE A 70 8.317 13.602 5.249 1.00 14.31 C ATOM 1098 CD1 ILE A 70 10.816 16.458 5.553 1.00 32.25 C ATOM 0 H ILE A 70 8.688 17.106 7.079 1.00 54.11 H new ATOM 0 HA ILE A 70 7.301 16.227 4.736 1.00 75.43 H new ATOM 0 HB ILE A 70 9.145 14.882 6.741 1.00 33.11 H new ATOM 0 HG12 ILE A 70 10.419 14.706 4.402 1.00 2.20 H new ATOM 0 HG13 ILE A 70 9.403 16.076 4.001 1.00 2.20 H new ATOM 0 HG21 ILE A 70 9.178 12.933 5.234 1.00 14.31 H new ATOM 0 HG22 ILE A 70 7.560 13.204 5.924 1.00 14.31 H new ATOM 0 HG23 ILE A 70 7.902 13.681 4.244 1.00 14.31 H new ATOM 0 HD11 ILE A 70 11.573 16.815 4.855 1.00 32.25 H new ATOM 0 HD12 ILE A 70 10.267 17.308 5.959 1.00 32.25 H new ATOM 0 HD13 ILE A 70 11.299 15.916 6.366 1.00 32.25 H new ATOM 1110 N LYS A 71 5.167 15.510 5.872 1.00 4.12 N ATOM 1111 CA LYS A 71 3.947 14.896 6.382 1.00 1.04 C ATOM 1112 C LYS A 71 3.543 13.698 5.530 1.00 64.35 C ATOM 1113 O LYS A 71 3.921 13.600 4.362 1.00 4.54 O ATOM 1114 CB LYS A 71 2.810 15.920 6.414 1.00 21.22 C ATOM 1115 CG LYS A 71 2.663 16.625 7.751 1.00 63.04 C ATOM 1116 CD LYS A 71 1.840 17.896 7.624 1.00 50.04 C ATOM 1117 CE LYS A 71 2.639 19.015 6.974 1.00 22.33 C ATOM 1118 NZ LYS A 71 1.903 20.310 7.000 1.00 23.32 N ATOM 0 H LYS A 71 5.021 16.159 5.099 1.00 4.12 H new ATOM 0 HA LYS A 71 4.142 14.548 7.396 1.00 1.04 H new ATOM 0 HB2 LYS A 71 2.981 16.665 5.637 1.00 21.22 H new ATOM 0 HB3 LYS A 71 1.873 15.418 6.173 1.00 21.22 H new ATOM 0 HG2 LYS A 71 2.189 15.954 8.467 1.00 63.04 H new ATOM 0 HG3 LYS A 71 3.650 16.867 8.146 1.00 63.04 H new ATOM 0 HD2 LYS A 71 0.947 17.695 7.033 1.00 50.04 H new ATOM 0 HD3 LYS A 71 1.504 18.213 8.611 1.00 50.04 H new ATOM 0 HE2 LYS A 71 3.592 19.128 7.491 1.00 22.33 H new ATOM 0 HE3 LYS A 71 2.866 18.747 5.942 1.00 22.33 H new ATOM 0 HZ1 LYS A 71 2.481 21.047 6.548 1.00 23.32 H new ATOM 0 HZ2 LYS A 71 1.005 20.209 6.485 1.00 23.32 H new ATOM 0 HZ3 LYS A 71 1.708 20.579 7.986 1.00 23.32 H new ATOM 1132 N ALA A 72 2.772 12.789 6.119 1.00 43.33 N ATOM 1133 CA ALA A 72 2.315 11.600 5.411 1.00 14.45 C ATOM 1134 C ALA A 72 1.162 11.932 4.469 1.00 1.13 C ATOM 1135 O ALA A 72 0.343 12.810 4.738 1.00 11.22 O ATOM 1136 CB ALA A 72 1.897 10.525 6.402 1.00 71.22 C ATOM 0 H ALA A 72 2.451 12.854 7.085 1.00 43.33 H new ATOM 0 HA ALA A 72 3.143 11.223 4.811 1.00 14.45 H new ATOM 0 HB1 ALA A 72 1.558 9.642 5.860 1.00 71.22 H new ATOM 0 HB2 ALA A 72 2.747 10.260 7.031 1.00 71.22 H new ATOM 0 HB3 ALA A 72 1.086 10.901 7.026 1.00 71.22 H new ATOM 1142 N PRO A 73 1.096 11.214 3.338 1.00 20.00 N ATOM 1143 CA PRO A 73 0.048 11.414 2.334 1.00 74.02 C ATOM 1144 C PRO A 73 -1.320 10.951 2.823 1.00 51.54 C ATOM 1145 O PRO A 73 -2.352 11.460 2.384 1.00 21.22 O ATOM 1146 CB PRO A 73 0.515 10.553 1.157 1.00 52.30 C ATOM 1147 CG PRO A 73 1.370 9.502 1.773 1.00 4.13 C ATOM 1148 CD PRO A 73 2.040 10.151 2.953 1.00 61.30 C ATOM 0 HA PRO A 73 -0.081 12.467 2.085 1.00 74.02 H new ATOM 0 HB2 PRO A 73 -0.331 10.115 0.627 1.00 52.30 H new ATOM 0 HB3 PRO A 73 1.075 11.144 0.432 1.00 52.30 H new ATOM 0 HG2 PRO A 73 0.772 8.646 2.086 1.00 4.13 H new ATOM 0 HG3 PRO A 73 2.107 9.132 1.061 1.00 4.13 H new ATOM 0 HD2 PRO A 73 2.200 9.442 3.765 1.00 61.30 H new ATOM 0 HD3 PRO A 73 3.016 10.557 2.688 1.00 61.30 H new ATOM 1156 N PHE A 74 -1.321 9.984 3.734 1.00 41.24 N ATOM 1157 CA PHE A 74 -2.563 9.451 4.283 1.00 51.41 C ATOM 1158 C PHE A 74 -2.281 8.487 5.431 1.00 11.51 C ATOM 1159 O PHE A 74 -1.210 7.884 5.501 1.00 2.30 O ATOM 1160 CB PHE A 74 -3.365 8.741 3.190 1.00 45.20 C ATOM 1161 CG PHE A 74 -2.508 8.146 2.110 1.00 61.13 C ATOM 1162 CD1 PHE A 74 -1.542 7.201 2.414 1.00 14.11 C ATOM 1163 CD2 PHE A 74 -2.670 8.531 0.788 1.00 0.31 C ATOM 1164 CE1 PHE A 74 -0.752 6.653 1.421 1.00 1.22 C ATOM 1165 CE2 PHE A 74 -1.884 7.987 -0.209 1.00 22.11 C ATOM 1166 CZ PHE A 74 -0.924 7.045 0.107 1.00 4.03 C ATOM 0 H PHE A 74 -0.476 9.553 4.108 1.00 41.24 H new ATOM 0 HA PHE A 74 -3.148 10.286 4.669 1.00 51.41 H new ATOM 0 HB2 PHE A 74 -3.964 7.951 3.644 1.00 45.20 H new ATOM 0 HB3 PHE A 74 -4.061 9.450 2.742 1.00 45.20 H new ATOM 0 HD1 PHE A 74 -1.405 6.889 3.439 1.00 14.11 H new ATOM 0 HD2 PHE A 74 -3.420 9.265 0.535 1.00 0.31 H new ATOM 0 HE1 PHE A 74 -0.001 5.919 1.672 1.00 1.22 H new ATOM 0 HE2 PHE A 74 -2.020 8.298 -1.234 1.00 22.11 H new ATOM 0 HZ PHE A 74 -0.310 6.616 -0.671 1.00 4.03 H new ATOM 1176 N ASP A 75 -3.249 8.349 6.331 1.00 54.04 N ATOM 1177 CA ASP A 75 -3.107 7.459 7.477 1.00 61.14 C ATOM 1178 C ASP A 75 -2.748 6.046 7.026 1.00 62.23 C ATOM 1179 O ASP A 75 -3.075 5.637 5.912 1.00 41.43 O ATOM 1180 CB ASP A 75 -4.399 7.434 8.293 1.00 30.25 C ATOM 1181 CG ASP A 75 -5.555 6.816 7.531 1.00 41.01 C ATOM 1182 OD1 ASP A 75 -6.127 7.505 6.660 1.00 4.02 O ATOM 1183 OD2 ASP A 75 -5.887 5.644 7.805 1.00 52.12 O ATOM 0 H ASP A 75 -4.141 8.843 6.289 1.00 54.04 H new ATOM 0 HA ASP A 75 -2.299 7.838 8.103 1.00 61.14 H new ATOM 0 HB2 ASP A 75 -4.233 6.873 9.213 1.00 30.25 H new ATOM 0 HB3 ASP A 75 -4.662 8.451 8.583 1.00 30.25 H new ATOM 1188 N GLY A 76 -2.072 5.305 7.899 1.00 75.30 N ATOM 1189 CA GLY A 76 -1.679 3.947 7.571 1.00 34.11 C ATOM 1190 C GLY A 76 -0.637 3.399 8.526 1.00 53.31 C ATOM 1191 O GLY A 76 -0.666 3.687 9.723 1.00 34.24 O ATOM 0 H GLY A 76 -1.790 5.621 8.827 1.00 75.30 H new ATOM 0 HA2 GLY A 76 -2.558 3.303 7.589 1.00 34.11 H new ATOM 0 HA3 GLY A 76 -1.286 3.921 6.555 1.00 34.11 H new ATOM 1195 N THR A 77 0.289 2.605 7.996 1.00 2.03 N ATOM 1196 CA THR A 77 1.344 2.013 8.810 1.00 20.44 C ATOM 1197 C THR A 77 2.722 2.390 8.281 1.00 5.22 C ATOM 1198 O THR A 77 3.093 2.021 7.166 1.00 31.13 O ATOM 1199 CB THR A 77 1.225 0.478 8.853 1.00 62.54 C ATOM 1200 OG1 THR A 77 -0.098 0.099 9.248 1.00 72.53 O ATOM 1201 CG2 THR A 77 2.238 -0.116 9.821 1.00 74.44 C ATOM 0 H THR A 77 0.330 2.357 7.007 1.00 2.03 H new ATOM 0 HA THR A 77 1.225 2.408 9.819 1.00 20.44 H new ATOM 0 HB THR A 77 1.430 0.092 7.854 1.00 62.54 H new ATOM 0 HG1 THR A 77 -0.165 -0.878 9.271 1.00 72.53 H new ATOM 0 HG21 THR A 77 2.135 -1.201 9.835 1.00 74.44 H new ATOM 0 HG22 THR A 77 3.246 0.149 9.501 1.00 74.44 H new ATOM 0 HG23 THR A 77 2.060 0.278 10.822 1.00 74.44 H new ATOM 1209 N ILE A 78 3.480 3.126 9.088 1.00 33.13 N ATOM 1210 CA ILE A 78 4.819 3.551 8.701 1.00 12.14 C ATOM 1211 C ILE A 78 5.873 2.564 9.192 1.00 34.15 C ATOM 1212 O ILE A 78 5.774 2.034 10.298 1.00 13.33 O ATOM 1213 CB ILE A 78 5.147 4.952 9.253 1.00 33.14 C ATOM 1214 CG1 ILE A 78 6.414 5.499 8.595 1.00 43.02 C ATOM 1215 CG2 ILE A 78 5.307 4.901 10.765 1.00 72.24 C ATOM 1216 CD1 ILE A 78 6.560 7.000 8.718 1.00 32.31 C ATOM 0 H ILE A 78 3.189 3.440 10.014 1.00 33.13 H new ATOM 0 HA ILE A 78 4.836 3.585 7.612 1.00 12.14 H new ATOM 0 HB ILE A 78 4.320 5.622 9.018 1.00 33.14 H new ATOM 0 HG12 ILE A 78 7.283 5.020 9.045 1.00 43.02 H new ATOM 0 HG13 ILE A 78 6.411 5.228 7.539 1.00 43.02 H new ATOM 0 HG21 ILE A 78 5.538 5.898 11.140 1.00 72.24 H new ATOM 0 HG22 ILE A 78 4.380 4.549 11.217 1.00 72.24 H new ATOM 0 HG23 ILE A 78 6.118 4.219 11.022 1.00 72.24 H new ATOM 0 HD11 ILE A 78 7.481 7.317 8.229 1.00 32.31 H new ATOM 0 HD12 ILE A 78 5.709 7.488 8.242 1.00 32.31 H new ATOM 0 HD13 ILE A 78 6.595 7.277 9.772 1.00 32.31 H new ATOM 1228 N GLY A 79 6.883 2.324 8.363 1.00 62.43 N ATOM 1229 CA GLY A 79 7.942 1.402 8.731 1.00 74.54 C ATOM 1230 C GLY A 79 9.143 2.108 9.328 1.00 33.31 C ATOM 1231 O GLY A 79 9.060 3.275 9.708 1.00 14.03 O ATOM 0 H GLY A 79 6.987 2.751 7.443 1.00 62.43 H new ATOM 0 HA2 GLY A 79 7.556 0.678 9.449 1.00 74.54 H new ATOM 0 HA3 GLY A 79 8.255 0.842 7.850 1.00 74.54 H new ATOM 1235 N ASP A 80 10.263 1.399 9.412 1.00 62.43 N ATOM 1236 CA ASP A 80 11.487 1.963 9.967 1.00 32.15 C ATOM 1237 C ASP A 80 12.229 2.788 8.920 1.00 33.01 C ATOM 1238 O ASP A 80 12.242 2.442 7.738 1.00 15.14 O ATOM 1239 CB ASP A 80 12.394 0.851 10.496 1.00 51.32 C ATOM 1240 CG ASP A 80 13.732 1.376 10.977 1.00 43.10 C ATOM 1241 OD1 ASP A 80 13.741 2.246 11.874 1.00 53.23 O ATOM 1242 OD2 ASP A 80 14.771 0.915 10.459 1.00 30.33 O ATOM 0 H ASP A 80 10.348 0.431 9.102 1.00 62.43 H new ATOM 0 HA ASP A 80 11.213 2.619 10.793 1.00 32.15 H new ATOM 0 HB2 ASP A 80 11.893 0.336 11.316 1.00 51.32 H new ATOM 0 HB3 ASP A 80 12.557 0.114 9.710 1.00 51.32 H new ATOM 1247 N ALA A 81 12.845 3.880 9.361 1.00 73.40 N ATOM 1248 CA ALA A 81 13.589 4.753 8.462 1.00 61.21 C ATOM 1249 C ALA A 81 14.824 4.048 7.910 1.00 24.42 C ATOM 1250 O ALA A 81 15.159 2.939 8.331 1.00 55.10 O ATOM 1251 CB ALA A 81 13.988 6.033 9.180 1.00 10.12 C ATOM 0 H ALA A 81 12.843 4.181 10.336 1.00 73.40 H new ATOM 0 HA ALA A 81 12.941 5.006 7.623 1.00 61.21 H new ATOM 0 HB1 ALA A 81 14.543 6.676 8.497 1.00 10.12 H new ATOM 0 HB2 ALA A 81 13.093 6.553 9.521 1.00 10.12 H new ATOM 0 HB3 ALA A 81 14.615 5.789 10.038 1.00 10.12 H new ATOM 1257 N LEU A 82 15.496 4.695 6.965 1.00 54.52 N ATOM 1258 CA LEU A 82 16.694 4.129 6.354 1.00 74.02 C ATOM 1259 C LEU A 82 17.817 5.160 6.300 1.00 11.32 C ATOM 1260 O LEU A 82 18.929 4.861 5.868 1.00 45.11 O ATOM 1261 CB LEU A 82 16.382 3.625 4.944 1.00 65.23 C ATOM 1262 CG LEU A 82 16.450 4.668 3.828 1.00 32.33 C ATOM 1263 CD1 LEU A 82 15.776 4.145 2.568 1.00 20.22 C ATOM 1264 CD2 LEU A 82 15.806 5.972 4.276 1.00 30.03 C ATOM 0 H LEU A 82 15.232 5.612 6.605 1.00 54.52 H new ATOM 0 HA LEU A 82 17.024 3.291 6.968 1.00 74.02 H new ATOM 0 HB2 LEU A 82 17.078 2.821 4.705 1.00 65.23 H new ATOM 0 HB3 LEU A 82 15.382 3.191 4.948 1.00 65.23 H new ATOM 0 HG LEU A 82 17.498 4.863 3.602 1.00 32.33 H new ATOM 0 HD11 LEU A 82 15.834 4.900 1.784 1.00 20.22 H new ATOM 0 HD12 LEU A 82 16.280 3.238 2.235 1.00 20.22 H new ATOM 0 HD13 LEU A 82 14.730 3.922 2.780 1.00 20.22 H new ATOM 0 HD21 LEU A 82 15.864 6.702 3.469 1.00 30.03 H new ATOM 0 HD22 LEU A 82 14.761 5.793 4.530 1.00 30.03 H new ATOM 0 HD23 LEU A 82 16.331 6.356 5.151 1.00 30.03 H new ATOM 1276 N VAL A 83 17.518 6.377 6.744 1.00 11.25 N ATOM 1277 CA VAL A 83 18.502 7.453 6.750 1.00 4.33 C ATOM 1278 C VAL A 83 18.598 8.103 8.126 1.00 64.35 C ATOM 1279 O VAL A 83 17.897 7.712 9.058 1.00 24.13 O ATOM 1280 CB VAL A 83 18.159 8.534 5.708 1.00 71.34 C ATOM 1281 CG1 VAL A 83 18.399 8.012 4.299 1.00 53.01 C ATOM 1282 CG2 VAL A 83 16.720 8.997 5.876 1.00 3.30 C ATOM 0 H VAL A 83 16.601 6.642 7.104 1.00 11.25 H new ATOM 0 HA VAL A 83 19.462 7.004 6.495 1.00 4.33 H new ATOM 0 HB VAL A 83 18.813 9.391 5.869 1.00 71.34 H new ATOM 0 HG11 VAL A 83 18.151 8.789 3.576 1.00 53.01 H new ATOM 0 HG12 VAL A 83 19.447 7.733 4.188 1.00 53.01 H new ATOM 0 HG13 VAL A 83 17.771 7.139 4.123 1.00 53.01 H new ATOM 0 HG21 VAL A 83 16.494 9.761 5.132 1.00 3.30 H new ATOM 0 HG22 VAL A 83 16.047 8.150 5.742 1.00 3.30 H new ATOM 0 HG23 VAL A 83 16.586 9.413 6.875 1.00 3.30 H new ATOM 1292 N ASN A 84 19.473 9.095 8.246 1.00 53.33 N ATOM 1293 CA ASN A 84 19.662 9.801 9.509 1.00 63.53 C ATOM 1294 C ASN A 84 19.565 11.309 9.309 1.00 14.14 C ATOM 1295 O ASN A 84 19.303 11.784 8.204 1.00 54.34 O ATOM 1296 CB ASN A 84 21.018 9.442 10.119 1.00 64.21 C ATOM 1297 CG ASN A 84 21.127 7.967 10.459 1.00 1.41 C ATOM 1298 OD1 ASN A 84 20.725 7.538 11.540 1.00 24.54 O ATOM 1299 ND2 ASN A 84 21.673 7.186 9.535 1.00 22.04 N ATOM 0 H ASN A 84 20.063 9.429 7.484 1.00 53.33 H new ATOM 0 HA ASN A 84 18.870 9.492 10.192 1.00 63.53 H new ATOM 0 HB2 ASN A 84 21.810 9.711 9.420 1.00 64.21 H new ATOM 0 HB3 ASN A 84 21.175 10.033 11.021 1.00 64.21 H new ATOM 0 HD21 ASN A 84 21.773 6.186 9.707 1.00 22.04 H new ATOM 0 HD22 ASN A 84 21.992 7.586 8.653 1.00 22.04 H new ATOM 1306 N ILE A 85 19.780 12.058 10.386 1.00 13.14 N ATOM 1307 CA ILE A 85 19.718 13.513 10.330 1.00 73.45 C ATOM 1308 C ILE A 85 21.004 14.096 9.751 1.00 74.40 C ATOM 1309 O ILE A 85 22.051 13.452 9.767 1.00 62.00 O ATOM 1310 CB ILE A 85 19.474 14.121 11.723 1.00 74.31 C ATOM 1311 CG1 ILE A 85 18.378 13.346 12.457 1.00 24.50 C ATOM 1312 CG2 ILE A 85 19.099 15.591 11.602 1.00 61.44 C ATOM 1313 CD1 ILE A 85 17.022 13.439 11.792 1.00 51.12 C ATOM 0 H ILE A 85 19.999 11.681 11.308 1.00 13.14 H new ATOM 0 HA ILE A 85 18.881 13.768 9.680 1.00 73.45 H new ATOM 0 HB ILE A 85 20.395 14.047 12.301 1.00 74.31 H new ATOM 0 HG12 ILE A 85 18.669 12.298 12.525 1.00 24.50 H new ATOM 0 HG13 ILE A 85 18.300 13.722 13.477 1.00 24.50 H new ATOM 0 HG21 ILE A 85 18.930 16.006 12.595 1.00 61.44 H new ATOM 0 HG22 ILE A 85 19.909 16.134 11.115 1.00 61.44 H new ATOM 0 HG23 ILE A 85 18.190 15.687 11.009 1.00 61.44 H new ATOM 0 HD11 ILE A 85 16.295 12.866 12.367 1.00 51.12 H new ATOM 0 HD12 ILE A 85 16.709 14.482 11.748 1.00 51.12 H new ATOM 0 HD13 ILE A 85 17.084 13.036 10.781 1.00 51.12 H new ATOM 1325 N GLY A 86 20.915 15.320 9.241 1.00 33.24 N ATOM 1326 CA GLY A 86 22.078 15.970 8.667 1.00 74.23 C ATOM 1327 C GLY A 86 22.579 15.267 7.421 1.00 22.50 C ATOM 1328 O GLY A 86 23.704 15.499 6.979 1.00 40.13 O ATOM 0 H GLY A 86 20.058 15.873 9.215 1.00 33.24 H new ATOM 0 HA2 GLY A 86 21.830 17.003 8.423 1.00 74.23 H new ATOM 0 HA3 GLY A 86 22.876 16.001 9.409 1.00 74.23 H new ATOM 1332 N ASP A 87 21.743 14.403 6.854 1.00 23.03 N ATOM 1333 CA ASP A 87 22.108 13.662 5.653 1.00 52.22 C ATOM 1334 C ASP A 87 21.381 14.217 4.432 1.00 63.55 C ATOM 1335 O ASP A 87 20.169 14.429 4.461 1.00 21.33 O ATOM 1336 CB ASP A 87 21.783 12.177 5.825 1.00 32.12 C ATOM 1337 CG ASP A 87 23.029 11.321 5.938 1.00 33.14 C ATOM 1338 OD1 ASP A 87 23.723 11.420 6.971 1.00 62.30 O ATOM 1339 OD2 ASP A 87 23.310 10.554 4.994 1.00 54.11 O ATOM 0 H ASP A 87 20.808 14.199 7.207 1.00 23.03 H new ATOM 0 HA ASP A 87 23.181 13.775 5.498 1.00 52.22 H new ATOM 0 HB2 ASP A 87 21.171 12.043 6.717 1.00 32.12 H new ATOM 0 HB3 ASP A 87 21.188 11.838 4.977 1.00 32.12 H new ATOM 1344 N TYR A 88 22.130 14.450 3.359 1.00 25.30 N ATOM 1345 CA TYR A 88 21.558 14.982 2.128 1.00 5.41 C ATOM 1346 C TYR A 88 20.478 14.053 1.582 1.00 45.34 C ATOM 1347 O TYR A 88 20.544 12.836 1.757 1.00 72.41 O ATOM 1348 CB TYR A 88 22.652 15.185 1.078 1.00 4.04 C ATOM 1349 CG TYR A 88 22.132 15.690 -0.248 1.00 4.31 C ATOM 1350 CD1 TYR A 88 21.815 17.030 -0.427 1.00 73.10 C ATOM 1351 CD2 TYR A 88 21.959 14.826 -1.323 1.00 44.44 C ATOM 1352 CE1 TYR A 88 21.338 17.496 -1.637 1.00 41.52 C ATOM 1353 CE2 TYR A 88 21.486 15.284 -2.538 1.00 30.10 C ATOM 1354 CZ TYR A 88 21.177 16.619 -2.690 1.00 14.24 C ATOM 1355 OH TYR A 88 20.703 17.079 -3.898 1.00 5.43 O ATOM 0 H TYR A 88 23.135 14.279 3.317 1.00 25.30 H new ATOM 0 HA TYR A 88 21.101 15.945 2.357 1.00 5.41 H new ATOM 0 HB2 TYR A 88 23.387 15.892 1.463 1.00 4.04 H new ATOM 0 HB3 TYR A 88 23.171 14.240 0.919 1.00 4.04 H new ATOM 0 HD1 TYR A 88 21.944 17.720 0.394 1.00 73.10 H new ATOM 0 HD2 TYR A 88 22.198 13.779 -1.207 1.00 44.44 H new ATOM 0 HE1 TYR A 88 21.093 18.541 -1.758 1.00 41.52 H new ATOM 0 HE2 TYR A 88 21.359 14.600 -3.364 1.00 30.10 H new ATOM 0 HH TYR A 88 20.650 16.335 -4.533 1.00 5.43 H new ATOM 1365 N VAL A 89 19.486 14.636 0.918 1.00 52.25 N ATOM 1366 CA VAL A 89 18.392 13.862 0.343 1.00 23.14 C ATOM 1367 C VAL A 89 17.836 14.538 -0.904 1.00 42.34 C ATOM 1368 O VAL A 89 17.791 15.766 -0.990 1.00 64.41 O ATOM 1369 CB VAL A 89 17.250 13.664 1.358 1.00 43.31 C ATOM 1370 CG1 VAL A 89 17.702 12.767 2.501 1.00 22.10 C ATOM 1371 CG2 VAL A 89 16.767 15.007 1.883 1.00 34.04 C ATOM 0 H VAL A 89 19.417 15.642 0.765 1.00 52.25 H new ATOM 0 HA VAL A 89 18.802 12.889 0.073 1.00 23.14 H new ATOM 0 HB VAL A 89 16.417 13.176 0.852 1.00 43.31 H new ATOM 0 HG11 VAL A 89 16.883 12.638 3.208 1.00 22.10 H new ATOM 0 HG12 VAL A 89 17.997 11.795 2.106 1.00 22.10 H new ATOM 0 HG13 VAL A 89 18.551 13.225 3.009 1.00 22.10 H new ATOM 0 HG21 VAL A 89 15.960 14.849 2.599 1.00 34.04 H new ATOM 0 HG22 VAL A 89 17.592 15.524 2.374 1.00 34.04 H new ATOM 0 HG23 VAL A 89 16.402 15.612 1.053 1.00 34.04 H new ATOM 1381 N SER A 90 17.414 13.730 -1.871 1.00 73.10 N ATOM 1382 CA SER A 90 16.863 14.250 -3.117 1.00 54.14 C ATOM 1383 C SER A 90 15.357 14.467 -2.997 1.00 64.42 C ATOM 1384 O SER A 90 14.780 14.310 -1.921 1.00 51.43 O ATOM 1385 CB SER A 90 17.162 13.291 -4.271 1.00 1.13 C ATOM 1386 OG SER A 90 17.810 13.963 -5.337 1.00 41.43 O ATOM 0 H SER A 90 17.443 12.712 -1.816 1.00 73.10 H new ATOM 0 HA SER A 90 17.335 15.211 -3.321 1.00 54.14 H new ATOM 0 HB2 SER A 90 17.791 12.474 -3.916 1.00 1.13 H new ATOM 0 HB3 SER A 90 16.233 12.846 -4.628 1.00 1.13 H new ATOM 0 HG SER A 90 17.992 13.328 -6.061 1.00 41.43 H new ATOM 1392 N ALA A 91 14.727 14.826 -4.110 1.00 51.54 N ATOM 1393 CA ALA A 91 13.289 15.062 -4.132 1.00 73.12 C ATOM 1394 C ALA A 91 12.520 13.791 -3.792 1.00 74.11 C ATOM 1395 O ALA A 91 12.204 13.537 -2.630 1.00 64.53 O ATOM 1396 CB ALA A 91 12.862 15.593 -5.493 1.00 21.35 C ATOM 0 H ALA A 91 15.190 14.960 -5.009 1.00 51.54 H new ATOM 0 HA ALA A 91 13.056 15.810 -3.374 1.00 73.12 H new ATOM 0 HB1 ALA A 91 11.786 15.765 -5.495 1.00 21.35 H new ATOM 0 HB2 ALA A 91 13.379 16.530 -5.696 1.00 21.35 H new ATOM 0 HB3 ALA A 91 13.115 14.864 -6.263 1.00 21.35 H new ATOM 1402 N SER A 92 12.218 12.996 -4.814 1.00 65.22 N ATOM 1403 CA SER A 92 11.481 11.752 -4.624 1.00 60.33 C ATOM 1404 C SER A 92 12.422 10.551 -4.658 1.00 52.21 C ATOM 1405 O SER A 92 11.992 9.406 -4.520 1.00 21.12 O ATOM 1406 CB SER A 92 10.405 11.603 -5.702 1.00 62.30 C ATOM 1407 OG SER A 92 10.986 11.486 -6.989 1.00 12.13 O ATOM 0 H SER A 92 12.472 13.191 -5.782 1.00 65.22 H new ATOM 0 HA SER A 92 11.003 11.788 -3.645 1.00 60.33 H new ATOM 0 HB2 SER A 92 9.796 10.724 -5.493 1.00 62.30 H new ATOM 0 HB3 SER A 92 9.739 12.465 -5.677 1.00 62.30 H new ATOM 0 HG SER A 92 10.278 11.390 -7.660 1.00 12.13 H new ATOM 1413 N THR A 93 13.710 10.822 -4.845 1.00 13.42 N ATOM 1414 CA THR A 93 14.713 9.767 -4.898 1.00 65.23 C ATOM 1415 C THR A 93 15.075 9.280 -3.501 1.00 3.45 C ATOM 1416 O THR A 93 15.532 8.150 -3.323 1.00 12.21 O ATOM 1417 CB THR A 93 15.993 10.243 -5.612 1.00 13.41 C ATOM 1418 OG1 THR A 93 15.692 11.346 -6.472 1.00 55.52 O ATOM 1419 CG2 THR A 93 16.612 9.115 -6.423 1.00 1.15 C ATOM 0 H THR A 93 14.083 11.764 -4.962 1.00 13.42 H new ATOM 0 HA THR A 93 14.275 8.944 -5.463 1.00 65.23 H new ATOM 0 HB THR A 93 16.709 10.559 -4.854 1.00 13.41 H new ATOM 0 HG1 THR A 93 16.511 11.644 -6.921 1.00 55.52 H new ATOM 0 HG21 THR A 93 17.514 9.475 -6.918 1.00 1.15 H new ATOM 0 HG22 THR A 93 16.867 8.288 -5.760 1.00 1.15 H new ATOM 0 HG23 THR A 93 15.899 8.772 -7.173 1.00 1.15 H new ATOM 1427 N THR A 94 14.869 10.140 -2.507 1.00 11.22 N ATOM 1428 CA THR A 94 15.174 9.798 -1.124 1.00 0.54 C ATOM 1429 C THR A 94 13.974 9.157 -0.438 1.00 15.24 C ATOM 1430 O THR A 94 12.957 9.811 -0.209 1.00 73.12 O ATOM 1431 CB THR A 94 15.608 11.039 -0.321 1.00 0.25 C ATOM 1432 OG1 THR A 94 16.910 11.462 -0.739 1.00 52.52 O ATOM 1433 CG2 THR A 94 15.620 10.741 1.171 1.00 54.50 C ATOM 0 H THR A 94 14.492 11.079 -2.635 1.00 11.22 H new ATOM 0 HA THR A 94 15.998 9.084 -1.150 1.00 0.54 H new ATOM 0 HB THR A 94 14.890 11.837 -0.510 1.00 0.25 H new ATOM 0 HG1 THR A 94 17.204 10.915 -1.497 1.00 52.52 H new ATOM 0 HG21 THR A 94 15.930 11.632 1.717 1.00 54.50 H new ATOM 0 HG22 THR A 94 14.620 10.448 1.492 1.00 54.50 H new ATOM 0 HG23 THR A 94 16.319 9.930 1.374 1.00 54.50 H new ATOM 1441 N GLU A 95 14.099 7.875 -0.111 1.00 63.23 N ATOM 1442 CA GLU A 95 13.022 7.147 0.549 1.00 64.00 C ATOM 1443 C GLU A 95 13.308 6.986 2.040 1.00 41.52 C ATOM 1444 O GLU A 95 13.542 5.878 2.522 1.00 24.31 O ATOM 1445 CB GLU A 95 12.836 5.772 -0.096 1.00 72.42 C ATOM 1446 CG GLU A 95 12.933 5.793 -1.613 1.00 12.41 C ATOM 1447 CD GLU A 95 12.454 4.501 -2.246 1.00 1.10 C ATOM 1448 OE1 GLU A 95 12.441 3.466 -1.548 1.00 2.42 O ATOM 1449 OE2 GLU A 95 12.092 4.526 -3.441 1.00 51.23 O ATOM 0 H GLU A 95 14.935 7.319 -0.292 1.00 63.23 H new ATOM 0 HA GLU A 95 12.104 7.723 0.432 1.00 64.00 H new ATOM 0 HB2 GLU A 95 13.589 5.090 0.298 1.00 72.42 H new ATOM 0 HB3 GLU A 95 11.863 5.373 0.192 1.00 72.42 H new ATOM 0 HG2 GLU A 95 12.342 6.623 -2.000 1.00 12.41 H new ATOM 0 HG3 GLU A 95 13.967 5.975 -1.905 1.00 12.41 H new ATOM 1456 N LEU A 96 13.287 8.100 2.763 1.00 20.41 N ATOM 1457 CA LEU A 96 13.544 8.084 4.199 1.00 53.14 C ATOM 1458 C LEU A 96 12.769 6.961 4.879 1.00 61.44 C ATOM 1459 O LEU A 96 13.152 6.486 5.949 1.00 54.33 O ATOM 1460 CB LEU A 96 13.163 9.430 4.820 1.00 63.04 C ATOM 1461 CG LEU A 96 12.006 10.173 4.153 1.00 32.22 C ATOM 1462 CD1 LEU A 96 12.480 10.885 2.897 1.00 41.34 C ATOM 1463 CD2 LEU A 96 10.872 9.211 3.827 1.00 3.30 C ATOM 0 H LEU A 96 13.095 9.025 2.379 1.00 20.41 H new ATOM 0 HA LEU A 96 14.609 7.909 4.350 1.00 53.14 H new ATOM 0 HB2 LEU A 96 12.907 9.265 5.867 1.00 63.04 H new ATOM 0 HB3 LEU A 96 14.041 10.076 4.804 1.00 63.04 H new ATOM 0 HG LEU A 96 11.632 10.923 4.850 1.00 32.22 H new ATOM 0 HD11 LEU A 96 11.642 11.408 2.437 1.00 41.34 H new ATOM 0 HD12 LEU A 96 13.257 11.604 3.157 1.00 41.34 H new ATOM 0 HD13 LEU A 96 12.882 10.155 2.194 1.00 41.34 H new ATOM 0 HD21 LEU A 96 10.057 9.757 3.353 1.00 3.30 H new ATOM 0 HD22 LEU A 96 11.234 8.438 3.149 1.00 3.30 H new ATOM 0 HD23 LEU A 96 10.512 8.748 4.746 1.00 3.30 H new ATOM 1475 N VAL A 97 11.678 6.536 4.249 1.00 14.25 N ATOM 1476 CA VAL A 97 10.850 5.466 4.793 1.00 72.45 C ATOM 1477 C VAL A 97 9.618 5.231 3.926 1.00 73.23 C ATOM 1478 O VAL A 97 9.119 6.150 3.276 1.00 71.21 O ATOM 1479 CB VAL A 97 10.400 5.778 6.231 1.00 22.41 C ATOM 1480 CG1 VAL A 97 9.208 6.724 6.226 1.00 64.45 C ATOM 1481 CG2 VAL A 97 10.068 4.493 6.976 1.00 60.00 C ATOM 0 H VAL A 97 11.347 6.916 3.362 1.00 14.25 H new ATOM 0 HA VAL A 97 11.463 4.565 4.801 1.00 72.45 H new ATOM 0 HB VAL A 97 11.222 6.271 6.751 1.00 22.41 H new ATOM 0 HG11 VAL A 97 8.905 6.933 7.252 1.00 64.45 H new ATOM 0 HG12 VAL A 97 9.485 7.656 5.733 1.00 64.45 H new ATOM 0 HG13 VAL A 97 8.379 6.262 5.689 1.00 64.45 H new ATOM 0 HG21 VAL A 97 9.752 4.732 7.991 1.00 60.00 H new ATOM 0 HG22 VAL A 97 9.263 3.970 6.459 1.00 60.00 H new ATOM 0 HG23 VAL A 97 10.951 3.855 7.012 1.00 60.00 H new ATOM 1491 N ARG A 98 9.130 3.994 3.921 1.00 45.42 N ATOM 1492 CA ARG A 98 7.957 3.638 3.134 1.00 3.00 C ATOM 1493 C ARG A 98 6.771 3.320 4.039 1.00 33.32 C ATOM 1494 O ARG A 98 6.945 2.936 5.196 1.00 64.14 O ATOM 1495 CB ARG A 98 8.263 2.438 2.236 1.00 72.21 C ATOM 1496 CG ARG A 98 8.421 1.132 2.998 1.00 42.33 C ATOM 1497 CD ARG A 98 9.838 0.962 3.525 1.00 42.33 C ATOM 1498 NE ARG A 98 10.238 -0.441 3.576 1.00 23.55 N ATOM 1499 CZ ARG A 98 9.803 -1.296 4.495 1.00 0.53 C ATOM 1500 NH1 ARG A 98 8.958 -0.892 5.434 1.00 72.24 N ATOM 1501 NH2 ARG A 98 10.213 -2.558 4.477 1.00 12.31 N ATOM 0 H ARG A 98 9.530 3.222 4.454 1.00 45.42 H new ATOM 0 HA ARG A 98 7.697 4.493 2.510 1.00 3.00 H new ATOM 0 HB2 ARG A 98 7.462 2.328 1.505 1.00 72.21 H new ATOM 0 HB3 ARG A 98 9.178 2.636 1.678 1.00 72.21 H new ATOM 0 HG2 ARG A 98 7.717 1.107 3.830 1.00 42.33 H new ATOM 0 HG3 ARG A 98 8.172 0.296 2.345 1.00 42.33 H new ATOM 0 HD2 ARG A 98 10.530 1.513 2.888 1.00 42.33 H new ATOM 0 HD3 ARG A 98 9.908 1.395 4.523 1.00 42.33 H new ATOM 0 HE ARG A 98 10.887 -0.784 2.867 1.00 23.55 H new ATOM 0 HH11 ARG A 98 8.641 0.077 5.452 1.00 72.24 H new ATOM 0 HH12 ARG A 98 8.626 -1.551 6.138 1.00 72.24 H new ATOM 0 HH21 ARG A 98 10.863 -2.873 3.757 1.00 12.31 H new ATOM 0 HH22 ARG A 98 9.878 -3.213 5.183 1.00 12.31 H new ATOM 1515 N VAL A 99 5.564 3.484 3.506 1.00 64.50 N ATOM 1516 CA VAL A 99 4.350 3.212 4.265 1.00 14.53 C ATOM 1517 C VAL A 99 3.563 2.060 3.652 1.00 1.12 C ATOM 1518 O VAL A 99 3.464 1.941 2.431 1.00 75.22 O ATOM 1519 CB VAL A 99 3.444 4.457 4.336 1.00 33.04 C ATOM 1520 CG1 VAL A 99 2.045 4.073 4.794 1.00 42.41 C ATOM 1521 CG2 VAL A 99 4.049 5.503 5.260 1.00 35.02 C ATOM 0 H VAL A 99 5.402 3.804 2.551 1.00 64.50 H new ATOM 0 HA VAL A 99 4.662 2.938 5.273 1.00 14.53 H new ATOM 0 HB VAL A 99 3.368 4.888 3.338 1.00 33.04 H new ATOM 0 HG11 VAL A 99 1.419 4.964 4.838 1.00 42.41 H new ATOM 0 HG12 VAL A 99 1.614 3.362 4.090 1.00 42.41 H new ATOM 0 HG13 VAL A 99 2.098 3.617 5.783 1.00 42.41 H new ATOM 0 HG21 VAL A 99 3.397 6.375 5.299 1.00 35.02 H new ATOM 0 HG22 VAL A 99 4.156 5.086 6.261 1.00 35.02 H new ATOM 0 HG23 VAL A 99 5.028 5.799 4.883 1.00 35.02 H new ATOM 1531 N THR A 100 3.005 1.210 4.508 1.00 31.42 N ATOM 1532 CA THR A 100 2.227 0.065 4.051 1.00 23.14 C ATOM 1533 C THR A 100 0.869 0.013 4.743 1.00 64.34 C ATOM 1534 O THR A 100 0.621 0.740 5.703 1.00 44.41 O ATOM 1535 CB THR A 100 2.972 -1.258 4.307 1.00 20.22 C ATOM 1536 OG1 THR A 100 2.245 -2.349 3.733 1.00 31.53 O ATOM 1537 CG2 THR A 100 3.158 -1.495 5.799 1.00 62.42 C ATOM 0 H THR A 100 3.077 1.293 5.522 1.00 31.42 H new ATOM 0 HA THR A 100 2.081 0.189 2.978 1.00 23.14 H new ATOM 0 HB THR A 100 3.955 -1.192 3.840 1.00 20.22 H new ATOM 0 HG1 THR A 100 2.727 -3.186 3.899 1.00 31.53 H new ATOM 0 HG21 THR A 100 3.687 -2.435 5.955 1.00 62.42 H new ATOM 0 HG22 THR A 100 3.738 -0.678 6.228 1.00 62.42 H new ATOM 0 HG23 THR A 100 2.183 -1.542 6.284 1.00 62.42 H new ATOM 1545 N ASN A 101 -0.009 -0.855 4.247 1.00 43.10 N ATOM 1546 CA ASN A 101 -1.342 -1.003 4.818 1.00 71.13 C ATOM 1547 C ASN A 101 -2.148 0.283 4.656 1.00 61.52 C ATOM 1548 O ASN A 101 -2.208 1.110 5.566 1.00 2.20 O ATOM 1549 CB ASN A 101 -1.248 -1.376 6.298 1.00 1.14 C ATOM 1550 CG ASN A 101 -2.486 -2.098 6.792 1.00 61.30 C ATOM 1551 OD1 ASN A 101 -3.060 -2.926 6.085 1.00 71.12 O ATOM 1552 ND2 ASN A 101 -2.905 -1.787 8.013 1.00 14.43 N ATOM 0 H ASN A 101 0.180 -1.465 3.452 1.00 43.10 H new ATOM 0 HA ASN A 101 -1.853 -1.802 4.281 1.00 71.13 H new ATOM 0 HB2 ASN A 101 -0.375 -2.009 6.456 1.00 1.14 H new ATOM 0 HB3 ASN A 101 -1.098 -0.472 6.889 1.00 1.14 H new ATOM 0 HD21 ASN A 101 -3.733 -2.241 8.399 1.00 14.43 H new ATOM 0 HD22 ASN A 101 -2.399 -1.095 8.565 1.00 14.43 H new