USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 660 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 41 THR OG1 : rot -159:sc= -1.88! USER MOD Set 1.2: A 79 THR OG1 : rot 86:sc= 0.808 USER MOD Set 1.3: A 111 GLN : amide:sc= -8.27! C(o=-16!,f=-26!) USER MOD Set 1.4: A 113 MET CE :methyl -124:sc= -6.87! (180deg=-6.66!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.377 K(o=-0.38,f=-2.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.488 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -158:sc= -0.271 (180deg=-1.73!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00172 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 144:sc= -4.96! (180deg=-8.73!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 75 CYS SG : rot 97:sc= -1.48! USER MOD Single : A 80 TYR OH : rot -12:sc= -6.09! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -144:sc= -11.6! (180deg=-12.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 94 ASN : amide:sc= -0.921 K(o=-0.92,f=-7!) USER MOD Single : A 96 THR OG1 : rot -106:sc= 1.33 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 100 SER OG : rot 8:sc= 0.661 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 32:sc= 0.719! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 16.479 26.220 25.091 1.00 0.00 N ATOM 2 CA ALA A 35 17.578 25.214 25.062 1.00 0.00 C ATOM 3 C ALA A 35 18.927 25.934 25.024 1.00 0.00 C ATOM 4 O ALA A 35 19.238 26.638 24.083 1.00 0.00 O ATOM 5 CB ALA A 35 17.432 24.337 23.816 1.00 0.00 C ATOM 0 HA ALA A 35 17.525 24.590 25.954 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.235 23.601 23.793 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.470 23.824 23.842 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.486 24.961 22.924 1.00 0.00 H new ATOM 11 N PRO A 36 19.743 25.751 26.073 1.00 0.00 N ATOM 12 CA PRO A 36 21.066 26.382 26.168 1.00 0.00 C ATOM 13 C PRO A 36 22.057 25.787 25.163 1.00 0.00 C ATOM 14 O PRO A 36 23.092 26.358 24.886 1.00 0.00 O ATOM 15 CB PRO A 36 21.514 26.060 27.594 1.00 0.00 C ATOM 16 CG PRO A 36 20.763 24.822 27.952 1.00 0.00 C ATOM 17 CD PRO A 36 19.440 24.915 27.247 1.00 0.00 C ATOM 0 HA PRO A 36 21.025 27.449 25.948 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.591 25.899 27.645 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.281 26.877 28.277 1.00 0.00 H new ATOM 0 HG2 PRO A 36 21.309 23.932 27.639 1.00 0.00 H new ATOM 0 HG3 PRO A 36 20.625 24.749 29.031 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.068 23.932 26.957 1.00 0.00 H new ATOM 0 HD3 PRO A 36 18.678 25.370 27.879 1.00 0.00 H new ATOM 25 N ARG A 37 21.749 24.642 24.616 1.00 0.00 N ATOM 26 CA ARG A 37 22.675 24.015 23.633 1.00 0.00 C ATOM 27 C ARG A 37 21.909 23.672 22.353 1.00 0.00 C ATOM 28 O ARG A 37 20.737 23.356 22.385 1.00 0.00 O ATOM 29 CB ARG A 37 23.267 22.738 24.232 1.00 0.00 C ATOM 30 CG ARG A 37 24.135 23.098 25.439 1.00 0.00 C ATOM 31 CD ARG A 37 24.836 21.840 25.958 1.00 0.00 C ATOM 32 NE ARG A 37 25.468 22.132 27.276 1.00 0.00 N ATOM 33 CZ ARG A 37 26.750 21.954 27.438 1.00 0.00 C ATOM 34 NH1 ARG A 37 27.600 22.630 26.715 1.00 0.00 N ATOM 35 NH2 ARG A 37 27.183 21.099 28.324 1.00 0.00 N ATOM 0 H ARG A 37 20.897 24.115 24.808 1.00 0.00 H new ATOM 0 HA ARG A 37 23.479 24.712 23.397 1.00 0.00 H new ATOM 0 HB2 ARG A 37 22.468 22.060 24.534 1.00 0.00 H new ATOM 0 HB3 ARG A 37 23.863 22.215 23.484 1.00 0.00 H new ATOM 0 HG2 ARG A 37 24.874 23.849 25.158 1.00 0.00 H new ATOM 0 HG3 ARG A 37 23.520 23.535 26.225 1.00 0.00 H new ATOM 0 HD2 ARG A 37 24.118 21.026 26.059 1.00 0.00 H new ATOM 0 HD3 ARG A 37 25.592 21.511 25.245 1.00 0.00 H new ATOM 0 HE ARG A 37 24.898 22.471 28.051 1.00 0.00 H new ATOM 0 HH11 ARG A 37 27.262 23.298 26.022 1.00 0.00 H new ATOM 0 HH12 ARG A 37 28.602 22.490 26.842 1.00 0.00 H new ATOM 0 HH21 ARG A 37 26.519 20.570 28.890 1.00 0.00 H new ATOM 0 HH22 ARG A 37 28.185 20.960 28.451 1.00 0.00 H new ATOM 49 N LYS A 38 22.565 23.732 21.226 1.00 0.00 N ATOM 50 CA LYS A 38 21.878 23.409 19.944 1.00 0.00 C ATOM 51 C LYS A 38 22.895 22.835 18.956 1.00 0.00 C ATOM 52 O LYS A 38 24.013 22.520 19.316 1.00 0.00 O ATOM 53 CB LYS A 38 21.263 24.682 19.359 1.00 0.00 C ATOM 54 CG LYS A 38 20.296 25.295 20.373 1.00 0.00 C ATOM 55 CD LYS A 38 19.618 26.519 19.754 1.00 0.00 C ATOM 56 CE LYS A 38 18.672 27.150 20.777 1.00 0.00 C ATOM 57 NZ LYS A 38 17.989 28.324 20.164 1.00 0.00 N ATOM 0 H LYS A 38 23.548 23.991 21.138 1.00 0.00 H new ATOM 0 HA LYS A 38 21.091 22.677 20.126 1.00 0.00 H new ATOM 0 HB2 LYS A 38 22.048 25.397 19.111 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.737 24.452 18.432 1.00 0.00 H new ATOM 0 HG2 LYS A 38 19.546 24.560 20.667 1.00 0.00 H new ATOM 0 HG3 LYS A 38 20.833 25.582 21.277 1.00 0.00 H new ATOM 0 HD2 LYS A 38 20.369 27.245 19.441 1.00 0.00 H new ATOM 0 HD3 LYS A 38 19.064 26.229 18.861 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.935 26.418 21.106 1.00 0.00 H new ATOM 0 HE3 LYS A 38 19.230 27.461 21.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.346 28.753 20.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.699 29.025 19.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.445 28.014 19.334 1.00 0.00 H new ATOM 71 N GLY A 39 22.521 22.696 17.714 1.00 0.00 N ATOM 72 CA GLY A 39 23.472 22.144 16.709 1.00 0.00 C ATOM 73 C GLY A 39 22.695 21.421 15.607 1.00 0.00 C ATOM 74 O GLY A 39 22.489 20.225 15.664 1.00 0.00 O ATOM 0 H GLY A 39 21.599 22.940 17.352 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.069 22.948 16.279 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.166 21.455 17.191 1.00 0.00 H new ATOM 78 N ASN A 40 22.266 22.134 14.603 1.00 0.00 N ATOM 79 CA ASN A 40 21.507 21.483 13.498 1.00 0.00 C ATOM 80 C ASN A 40 22.485 20.996 12.427 1.00 0.00 C ATOM 81 O ASN A 40 22.980 21.767 11.629 1.00 0.00 O ATOM 82 CB ASN A 40 20.536 22.493 12.882 1.00 0.00 C ATOM 83 CG ASN A 40 19.510 21.754 12.020 1.00 0.00 C ATOM 84 OD1 ASN A 40 19.496 20.539 11.979 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.644 22.440 11.325 1.00 0.00 N ATOM 0 H ASN A 40 22.408 23.139 14.500 1.00 0.00 H new ATOM 0 HA ASN A 40 20.947 20.635 13.891 1.00 0.00 H new ATOM 0 HB2 ASN A 40 20.030 23.053 13.668 1.00 0.00 H new ATOM 0 HB3 ASN A 40 21.082 23.216 12.276 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.956 21.957 10.748 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.655 23.459 11.359 1.00 0.00 H new ATOM 92 N THR A 41 22.770 19.723 12.405 1.00 0.00 N ATOM 93 CA THR A 41 23.718 19.188 11.388 1.00 0.00 C ATOM 94 C THR A 41 23.073 19.251 10.002 1.00 0.00 C ATOM 95 O THR A 41 21.929 18.882 9.821 1.00 0.00 O ATOM 96 CB THR A 41 24.062 17.735 11.725 1.00 0.00 C ATOM 97 OG1 THR A 41 24.782 17.693 12.949 1.00 0.00 O ATOM 98 CG2 THR A 41 24.917 17.138 10.606 1.00 0.00 C ATOM 0 H THR A 41 22.387 19.030 13.048 1.00 0.00 H new ATOM 0 HA THR A 41 24.628 19.788 11.391 1.00 0.00 H new ATOM 0 HB THR A 41 23.143 17.157 11.824 1.00 0.00 H new ATOM 0 HG1 THR A 41 25.283 16.853 13.005 1.00 0.00 H new ATOM 0 HG21 THR A 41 25.161 16.103 10.847 1.00 0.00 H new ATOM 0 HG22 THR A 41 24.363 17.171 9.668 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.837 17.714 10.504 1.00 0.00 H new ATOM 106 N LEU A 42 23.798 19.715 9.021 1.00 0.00 N ATOM 107 CA LEU A 42 23.227 19.801 7.647 1.00 0.00 C ATOM 108 C LEU A 42 23.999 18.863 6.717 1.00 0.00 C ATOM 109 O LEU A 42 25.186 18.658 6.874 1.00 0.00 O ATOM 110 CB LEU A 42 23.345 21.238 7.135 1.00 0.00 C ATOM 111 CG LEU A 42 22.912 22.208 8.234 1.00 0.00 C ATOM 112 CD1 LEU A 42 22.903 23.634 7.682 1.00 0.00 C ATOM 113 CD2 LEU A 42 21.508 21.838 8.717 1.00 0.00 C ATOM 0 H LEU A 42 24.761 20.038 9.112 1.00 0.00 H new ATOM 0 HA LEU A 42 22.177 19.509 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.372 21.446 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 42 22.722 21.372 6.250 1.00 0.00 H new ATOM 0 HG LEU A 42 23.611 22.147 9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.594 24.326 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.903 23.898 7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.205 23.697 6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.199 22.530 9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 42 20.809 21.899 7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.515 20.822 9.112 1.00 0.00 H new ATOM 125 N TYR A 43 23.336 18.292 5.750 1.00 0.00 N ATOM 126 CA TYR A 43 24.035 17.368 4.813 1.00 0.00 C ATOM 127 C TYR A 43 24.422 18.125 3.541 1.00 0.00 C ATOM 128 O TYR A 43 23.589 18.709 2.877 1.00 0.00 O ATOM 129 CB TYR A 43 23.106 16.206 4.454 1.00 0.00 C ATOM 130 CG TYR A 43 23.830 15.247 3.540 1.00 0.00 C ATOM 131 CD1 TYR A 43 24.632 14.235 4.082 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.700 15.369 2.152 1.00 0.00 C ATOM 133 CE1 TYR A 43 25.304 13.345 3.235 1.00 0.00 C ATOM 134 CE2 TYR A 43 24.371 14.479 1.305 1.00 0.00 C ATOM 135 CZ TYR A 43 25.174 13.467 1.847 1.00 0.00 C ATOM 136 OH TYR A 43 25.836 12.590 1.012 1.00 0.00 O ATOM 0 H TYR A 43 22.341 18.425 5.568 1.00 0.00 H new ATOM 0 HA TYR A 43 24.934 16.979 5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.785 15.690 5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 43 22.207 16.582 3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.732 14.141 5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.082 16.150 1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.923 12.565 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 43 24.270 14.573 0.234 1.00 0.00 H new ATOM 0 HH TYR A 43 25.637 12.814 0.079 1.00 0.00 H new ATOM 146 N VAL A 44 25.680 18.117 3.195 1.00 0.00 N ATOM 147 CA VAL A 44 26.120 18.834 1.965 1.00 0.00 C ATOM 148 C VAL A 44 26.778 17.840 1.005 1.00 0.00 C ATOM 149 O VAL A 44 27.587 17.024 1.400 1.00 0.00 O ATOM 150 CB VAL A 44 27.127 19.922 2.342 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.538 20.694 1.086 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.485 20.884 3.344 1.00 0.00 C ATOM 0 H VAL A 44 26.422 17.645 3.711 1.00 0.00 H new ATOM 0 HA VAL A 44 25.257 19.291 1.481 1.00 0.00 H new ATOM 0 HB VAL A 44 28.008 19.463 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.256 21.469 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.994 20.009 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.658 21.154 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.201 21.660 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.605 21.343 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.191 20.335 4.239 1.00 0.00 H new ATOM 162 N TYR A 45 26.435 17.899 -0.253 1.00 0.00 N ATOM 163 CA TYR A 45 27.039 16.956 -1.235 1.00 0.00 C ATOM 164 C TYR A 45 27.691 17.748 -2.370 1.00 0.00 C ATOM 165 O TYR A 45 27.140 18.712 -2.863 1.00 0.00 O ATOM 166 CB TYR A 45 25.947 16.050 -1.807 1.00 0.00 C ATOM 167 CG TYR A 45 26.563 15.059 -2.765 1.00 0.00 C ATOM 168 CD1 TYR A 45 27.110 13.864 -2.282 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.587 15.334 -4.138 1.00 0.00 C ATOM 170 CE1 TYR A 45 27.681 12.945 -3.170 1.00 0.00 C ATOM 171 CE2 TYR A 45 27.158 14.415 -5.026 1.00 0.00 C ATOM 172 CZ TYR A 45 27.705 13.221 -4.543 1.00 0.00 C ATOM 173 OH TYR A 45 28.267 12.315 -5.418 1.00 0.00 O ATOM 0 H TYR A 45 25.763 18.560 -0.643 1.00 0.00 H new ATOM 0 HA TYR A 45 27.794 16.347 -0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.438 15.523 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 45 25.195 16.649 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 45 27.091 13.651 -1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 45 26.165 16.255 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 45 28.103 12.024 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 45 27.176 14.628 -6.085 1.00 0.00 H new ATOM 0 HH TYR A 45 28.201 12.659 -6.333 1.00 0.00 H new ATOM 183 N GLY A 46 28.862 17.350 -2.788 1.00 0.00 N ATOM 184 CA GLY A 46 29.547 18.082 -3.891 1.00 0.00 C ATOM 185 C GLY A 46 30.873 17.390 -4.216 1.00 0.00 C ATOM 186 O GLY A 46 31.210 16.373 -3.643 1.00 0.00 O ATOM 0 H GLY A 46 29.373 16.551 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 46 28.911 18.106 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.726 19.117 -3.599 1.00 0.00 H new ATOM 190 N GLU A 47 31.628 17.934 -5.131 1.00 0.00 N ATOM 191 CA GLU A 47 32.931 17.308 -5.491 1.00 0.00 C ATOM 192 C GLU A 47 34.068 18.287 -5.190 1.00 0.00 C ATOM 193 O GLU A 47 33.875 19.487 -5.162 1.00 0.00 O ATOM 194 CB GLU A 47 32.936 16.964 -6.982 1.00 0.00 C ATOM 195 CG GLU A 47 31.803 15.980 -7.283 1.00 0.00 C ATOM 196 CD GLU A 47 31.861 15.570 -8.756 1.00 0.00 C ATOM 197 OE1 GLU A 47 32.625 16.176 -9.489 1.00 0.00 O ATOM 198 OE2 GLU A 47 31.142 14.657 -9.125 1.00 0.00 O ATOM 0 H GLU A 47 31.399 18.785 -5.645 1.00 0.00 H new ATOM 0 HA GLU A 47 33.071 16.398 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 47 32.812 17.870 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 47 33.895 16.528 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 47 31.892 15.100 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 47 30.840 16.439 -7.060 1.00 0.00 H new ATOM 205 N ASP A 48 35.251 17.786 -4.966 1.00 0.00 N ATOM 206 CA ASP A 48 36.399 18.689 -4.668 1.00 0.00 C ATOM 207 C ASP A 48 35.958 19.767 -3.676 1.00 0.00 C ATOM 208 O ASP A 48 36.208 20.940 -3.868 1.00 0.00 O ATOM 209 CB ASP A 48 36.876 19.351 -5.962 1.00 0.00 C ATOM 210 CG ASP A 48 37.235 18.272 -6.985 1.00 0.00 C ATOM 211 OD1 ASP A 48 37.447 17.142 -6.575 1.00 0.00 O ATOM 212 OD2 ASP A 48 37.293 18.593 -8.160 1.00 0.00 O ATOM 0 H ASP A 48 35.473 16.790 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 48 37.214 18.109 -4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 48 36.096 19.999 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 48 37.743 19.981 -5.763 1.00 0.00 H new ATOM 217 N MET A 49 35.302 19.380 -2.616 1.00 0.00 N ATOM 218 CA MET A 49 34.847 20.384 -1.613 1.00 0.00 C ATOM 219 C MET A 49 35.899 20.518 -0.511 1.00 0.00 C ATOM 220 O MET A 49 36.524 19.555 -0.115 1.00 0.00 O ATOM 221 CB MET A 49 33.523 19.929 -1.000 1.00 0.00 C ATOM 222 CG MET A 49 32.442 19.903 -2.083 1.00 0.00 C ATOM 223 SD MET A 49 30.822 19.662 -1.312 1.00 0.00 S ATOM 224 CE MET A 49 31.217 18.133 -0.429 1.00 0.00 C ATOM 0 H MET A 49 35.062 18.412 -2.401 1.00 0.00 H new ATOM 0 HA MET A 49 34.709 21.348 -2.102 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.635 18.938 -0.559 1.00 0.00 H new ATOM 0 HB3 MET A 49 33.231 20.604 -0.196 1.00 0.00 H new ATOM 0 HG2 MET A 49 32.454 20.836 -2.646 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.642 19.100 -2.793 1.00 0.00 H new ATOM 0 HE1 MET A 49 30.297 17.594 -0.206 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.861 17.510 -1.050 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.732 18.373 0.501 1.00 0.00 H new ATOM 234 N THR A 50 36.099 21.707 -0.011 1.00 0.00 N ATOM 235 CA THR A 50 37.111 21.901 1.066 1.00 0.00 C ATOM 236 C THR A 50 36.418 22.419 2.328 1.00 0.00 C ATOM 237 O THR A 50 35.280 22.843 2.293 1.00 0.00 O ATOM 238 CB THR A 50 38.158 22.918 0.604 1.00 0.00 C ATOM 239 OG1 THR A 50 37.623 23.697 -0.456 1.00 0.00 O ATOM 240 CG2 THR A 50 39.408 22.182 0.120 1.00 0.00 C ATOM 0 H THR A 50 35.606 22.551 -0.301 1.00 0.00 H new ATOM 0 HA THR A 50 37.599 20.951 1.283 1.00 0.00 H new ATOM 0 HB THR A 50 38.424 23.570 1.436 1.00 0.00 H new ATOM 0 HG1 THR A 50 38.291 24.350 -0.752 1.00 0.00 H new ATOM 0 HG21 THR A 50 40.153 22.907 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.817 21.585 0.935 1.00 0.00 H new ATOM 0 HG23 THR A 50 39.146 21.528 -0.712 1.00 0.00 H new ATOM 248 N PRO A 51 37.125 22.379 3.467 1.00 0.00 N ATOM 249 CA PRO A 51 36.586 22.841 4.752 1.00 0.00 C ATOM 250 C PRO A 51 36.424 24.364 4.787 1.00 0.00 C ATOM 251 O PRO A 51 35.380 24.879 5.133 1.00 0.00 O ATOM 252 CB PRO A 51 37.647 22.406 5.762 1.00 0.00 C ATOM 253 CG PRO A 51 38.907 22.319 4.970 1.00 0.00 C ATOM 254 CD PRO A 51 38.506 21.880 3.590 1.00 0.00 C ATOM 0 HA PRO A 51 35.595 22.432 4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.739 23.126 6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 51 37.395 21.446 6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 51 39.415 23.283 4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 51 39.600 21.608 5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 51 39.158 22.305 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 51 38.554 20.796 3.482 1.00 0.00 H new ATOM 262 N THR A 52 37.450 25.087 4.432 1.00 0.00 N ATOM 263 CA THR A 52 37.353 26.574 4.445 1.00 0.00 C ATOM 264 C THR A 52 36.216 27.020 3.524 1.00 0.00 C ATOM 265 O THR A 52 35.451 27.905 3.850 1.00 0.00 O ATOM 266 CB THR A 52 38.672 27.176 3.955 1.00 0.00 C ATOM 267 OG1 THR A 52 39.745 26.657 4.729 1.00 0.00 O ATOM 268 CG2 THR A 52 38.625 28.698 4.100 1.00 0.00 C ATOM 0 H THR A 52 38.351 24.713 4.134 1.00 0.00 H new ATOM 0 HA THR A 52 37.153 26.915 5.461 1.00 0.00 H new ATOM 0 HB THR A 52 38.822 26.918 2.907 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.590 27.041 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.565 29.126 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 52 37.802 29.095 3.505 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.474 28.959 5.147 1.00 0.00 H new ATOM 276 N LEU A 53 36.099 26.413 2.374 1.00 0.00 N ATOM 277 CA LEU A 53 35.011 26.803 1.434 1.00 0.00 C ATOM 278 C LEU A 53 33.654 26.556 2.094 1.00 0.00 C ATOM 279 O LEU A 53 32.802 27.422 2.127 1.00 0.00 O ATOM 280 CB LEU A 53 35.117 25.967 0.157 1.00 0.00 C ATOM 281 CG LEU A 53 33.978 26.341 -0.793 1.00 0.00 C ATOM 282 CD1 LEU A 53 34.324 27.643 -1.518 1.00 0.00 C ATOM 283 CD2 LEU A 53 33.781 25.223 -1.819 1.00 0.00 C ATOM 0 H LEU A 53 36.709 25.665 2.046 1.00 0.00 H new ATOM 0 HA LEU A 53 35.107 27.860 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.079 26.141 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 53 35.069 24.905 0.399 1.00 0.00 H new ATOM 0 HG LEU A 53 33.059 26.476 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 53 33.512 27.909 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 53 34.464 28.440 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 53 35.243 27.509 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 32.969 25.489 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 53 34.700 25.087 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 53 33.533 24.295 -1.303 1.00 0.00 H new ATOM 295 N LEU A 54 33.445 25.381 2.621 1.00 0.00 N ATOM 296 CA LEU A 54 32.143 25.081 3.279 1.00 0.00 C ATOM 297 C LEU A 54 31.923 26.053 4.439 1.00 0.00 C ATOM 298 O LEU A 54 30.840 26.569 4.633 1.00 0.00 O ATOM 299 CB LEU A 54 32.159 23.646 3.811 1.00 0.00 C ATOM 300 CG LEU A 54 32.254 22.668 2.638 1.00 0.00 C ATOM 301 CD1 LEU A 54 33.167 21.501 3.019 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.859 22.136 2.303 1.00 0.00 C ATOM 0 H LEU A 54 34.120 24.616 2.624 1.00 0.00 H new ATOM 0 HA LEU A 54 31.336 25.191 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 54 33.005 23.506 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 54 31.256 23.451 4.389 1.00 0.00 H new ATOM 0 HG LEU A 54 32.665 23.182 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 54 33.235 20.804 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 54 34.161 21.879 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 54 32.757 20.987 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.926 21.439 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.447 21.622 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.208 22.967 2.031 1.00 0.00 H new ATOM 314 N ARG A 55 32.943 26.309 5.213 1.00 0.00 N ATOM 315 CA ARG A 55 32.791 27.250 6.359 1.00 0.00 C ATOM 316 C ARG A 55 32.301 28.604 5.844 1.00 0.00 C ATOM 317 O ARG A 55 31.569 29.306 6.514 1.00 0.00 O ATOM 318 CB ARG A 55 34.142 27.427 7.055 1.00 0.00 C ATOM 319 CG ARG A 55 33.968 28.317 8.287 1.00 0.00 C ATOM 320 CD ARG A 55 35.321 28.508 8.975 1.00 0.00 C ATOM 321 NE ARG A 55 35.120 29.180 10.290 1.00 0.00 N ATOM 322 CZ ARG A 55 35.083 28.472 11.385 1.00 0.00 C ATOM 323 NH1 ARG A 55 34.499 27.305 11.389 1.00 0.00 N ATOM 324 NH2 ARG A 55 35.629 28.931 12.478 1.00 0.00 N ATOM 0 H ARG A 55 33.874 25.907 5.101 1.00 0.00 H new ATOM 0 HA ARG A 55 32.067 26.847 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.542 26.456 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 55 34.861 27.874 6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.557 29.283 7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 55 33.257 27.864 8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 55 35.807 27.543 9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 55 35.980 29.107 8.346 1.00 0.00 H new ATOM 0 HE ARG A 55 35.011 30.193 10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 55 34.071 26.946 10.536 1.00 0.00 H new ATOM 0 HH12 ARG A 55 34.470 26.752 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 55 36.085 29.844 12.476 1.00 0.00 H new ATOM 0 HH22 ARG A 55 35.600 28.377 13.334 1.00 0.00 H new ATOM 338 N GLY A 56 32.699 28.978 4.659 1.00 0.00 N ATOM 339 CA GLY A 56 32.255 30.287 4.103 1.00 0.00 C ATOM 340 C GLY A 56 30.805 30.172 3.628 1.00 0.00 C ATOM 341 O GLY A 56 30.043 31.116 3.697 1.00 0.00 O ATOM 0 H GLY A 56 33.312 28.434 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.340 31.065 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.899 30.579 3.274 1.00 0.00 H new ATOM 345 N ALA A 57 30.419 29.023 3.146 1.00 0.00 N ATOM 346 CA ALA A 57 29.018 28.849 2.667 1.00 0.00 C ATOM 347 C ALA A 57 28.074 28.785 3.869 1.00 0.00 C ATOM 348 O ALA A 57 26.884 29.002 3.749 1.00 0.00 O ATOM 349 CB ALA A 57 28.911 27.551 1.864 1.00 0.00 C ATOM 0 H ALA A 57 31.012 28.197 3.063 1.00 0.00 H new ATOM 0 HA ALA A 57 28.743 29.692 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.887 27.423 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.584 27.596 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.185 26.708 2.498 1.00 0.00 H new ATOM 355 N PHE A 58 28.594 28.490 5.029 1.00 0.00 N ATOM 356 CA PHE A 58 27.727 28.414 6.239 1.00 0.00 C ATOM 357 C PHE A 58 28.230 29.407 7.291 1.00 0.00 C ATOM 358 O PHE A 58 27.726 29.464 8.395 1.00 0.00 O ATOM 359 CB PHE A 58 27.778 26.997 6.814 1.00 0.00 C ATOM 360 CG PHE A 58 27.141 26.033 5.840 1.00 0.00 C ATOM 361 CD1 PHE A 58 25.766 25.781 5.901 1.00 0.00 C ATOM 362 CD2 PHE A 58 27.928 25.391 4.876 1.00 0.00 C ATOM 363 CE1 PHE A 58 25.177 24.887 4.999 1.00 0.00 C ATOM 364 CE2 PHE A 58 27.339 24.497 3.974 1.00 0.00 C ATOM 365 CZ PHE A 58 25.964 24.245 4.035 1.00 0.00 C ATOM 0 H PHE A 58 29.583 28.298 5.191 1.00 0.00 H new ATOM 0 HA PHE A 58 26.701 28.661 5.966 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.811 26.708 7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 58 27.256 26.962 7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 58 25.159 26.276 6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 58 28.989 25.586 4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 58 24.116 24.692 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 58 27.946 24.002 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.510 23.556 3.339 1.00 0.00 H new ATOM 375 N SER A 59 29.222 30.188 6.959 1.00 0.00 N ATOM 376 CA SER A 59 29.758 31.173 7.940 1.00 0.00 C ATOM 377 C SER A 59 28.758 32.318 8.123 1.00 0.00 C ATOM 378 O SER A 59 28.312 32.593 9.219 1.00 0.00 O ATOM 379 CB SER A 59 31.084 31.734 7.424 1.00 0.00 C ATOM 380 OG SER A 59 31.185 33.107 7.770 1.00 0.00 O ATOM 0 H SER A 59 29.684 30.186 6.050 1.00 0.00 H new ATOM 0 HA SER A 59 29.917 30.677 8.898 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.918 31.178 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 59 31.145 31.615 6.342 1.00 0.00 H new ATOM 0 HG SER A 59 32.035 33.466 7.441 1.00 0.00 H new ATOM 386 N PRO A 60 28.403 33.000 7.023 1.00 0.00 N ATOM 387 CA PRO A 60 27.457 34.122 7.058 1.00 0.00 C ATOM 388 C PRO A 60 26.030 33.658 7.365 1.00 0.00 C ATOM 389 O PRO A 60 25.252 34.371 7.966 1.00 0.00 O ATOM 390 CB PRO A 60 27.529 34.696 5.643 1.00 0.00 C ATOM 391 CG PRO A 60 27.981 33.554 4.798 1.00 0.00 C ATOM 392 CD PRO A 60 28.895 32.730 5.660 1.00 0.00 C ATOM 0 HA PRO A 60 27.707 34.842 7.837 1.00 0.00 H new ATOM 0 HB2 PRO A 60 26.559 35.071 5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 60 28.228 35.531 5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 60 27.131 32.963 4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 60 28.501 33.910 3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.835 31.670 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.937 33.027 5.541 1.00 0.00 H new ATOM 400 N PHE A 61 25.682 32.468 6.959 1.00 0.00 N ATOM 401 CA PHE A 61 24.306 31.963 7.230 1.00 0.00 C ATOM 402 C PHE A 61 24.091 31.856 8.740 1.00 0.00 C ATOM 403 O PHE A 61 23.000 32.052 9.237 1.00 0.00 O ATOM 404 CB PHE A 61 24.134 30.583 6.592 1.00 0.00 C ATOM 405 CG PHE A 61 23.952 30.737 5.101 1.00 0.00 C ATOM 406 CD1 PHE A 61 25.070 30.778 4.259 1.00 0.00 C ATOM 407 CD2 PHE A 61 22.665 30.839 4.560 1.00 0.00 C ATOM 408 CE1 PHE A 61 24.901 30.920 2.877 1.00 0.00 C ATOM 409 CE2 PHE A 61 22.496 30.981 3.177 1.00 0.00 C ATOM 410 CZ PHE A 61 23.614 31.022 2.336 1.00 0.00 C ATOM 0 H PHE A 61 26.290 31.824 6.452 1.00 0.00 H new ATOM 0 HA PHE A 61 23.576 32.653 6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.006 29.963 6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.271 30.076 7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 61 26.063 30.700 4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 61 21.802 30.808 5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 61 25.764 30.951 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 61 21.503 31.059 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.484 31.132 1.270 1.00 0.00 H new ATOM 420 N GLY A 62 25.124 31.546 9.475 1.00 0.00 N ATOM 421 CA GLY A 62 24.978 31.427 10.953 1.00 0.00 C ATOM 422 C GLY A 62 26.283 30.898 11.552 1.00 0.00 C ATOM 423 O GLY A 62 27.266 30.718 10.861 1.00 0.00 O ATOM 0 H GLY A 62 26.062 31.370 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.734 32.398 11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.155 30.755 11.195 1.00 0.00 H new ATOM 427 N ASN A 63 26.300 30.647 12.832 1.00 0.00 N ATOM 428 CA ASN A 63 27.542 30.129 13.473 1.00 0.00 C ATOM 429 C ASN A 63 27.512 28.600 13.483 1.00 0.00 C ATOM 430 O ASN A 63 26.483 27.991 13.697 1.00 0.00 O ATOM 431 CB ASN A 63 27.627 30.647 14.911 1.00 0.00 C ATOM 432 CG ASN A 63 29.027 30.380 15.466 1.00 0.00 C ATOM 433 OD1 ASN A 63 30.003 30.896 14.959 1.00 0.00 O ATOM 434 ND2 ASN A 63 29.168 29.589 16.494 1.00 0.00 N ATOM 0 H ASN A 63 25.508 30.778 13.462 1.00 0.00 H new ATOM 0 HA ASN A 63 28.411 30.471 12.911 1.00 0.00 H new ATOM 0 HB2 ASN A 63 27.411 31.715 14.938 1.00 0.00 H new ATOM 0 HB3 ASN A 63 26.878 30.155 15.531 1.00 0.00 H new ATOM 0 HD21 ASN A 63 30.097 29.404 16.872 1.00 0.00 H new ATOM 0 HD22 ASN A 63 28.349 29.156 16.920 1.00 0.00 H new ATOM 441 N ILE A 64 28.634 27.974 13.254 1.00 0.00 N ATOM 442 CA ILE A 64 28.669 26.485 13.251 1.00 0.00 C ATOM 443 C ILE A 64 29.301 25.988 14.553 1.00 0.00 C ATOM 444 O ILE A 64 30.359 26.433 14.950 1.00 0.00 O ATOM 445 CB ILE A 64 29.500 25.997 12.063 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.907 26.546 10.764 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.484 24.468 12.024 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.891 26.313 9.615 1.00 0.00 C ATOM 0 H ILE A 64 29.528 28.430 13.069 1.00 0.00 H new ATOM 0 HA ILE A 64 27.654 26.098 13.168 1.00 0.00 H new ATOM 0 HB ILE A 64 30.526 26.348 12.170 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.958 26.055 10.549 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.699 27.611 10.868 1.00 0.00 H new ATOM 0 HG21 ILE A 64 30.076 24.119 11.178 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.907 24.076 12.949 1.00 0.00 H new ATOM 0 HG23 ILE A 64 28.457 24.117 11.918 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.469 26.704 8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.829 26.824 9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 64 30.077 25.244 9.506 1.00 0.00 H new ATOM 460 N ILE A 65 28.660 25.069 15.221 1.00 0.00 N ATOM 461 CA ILE A 65 29.224 24.544 16.496 1.00 0.00 C ATOM 462 C ILE A 65 30.029 23.274 16.213 1.00 0.00 C ATOM 463 O ILE A 65 30.887 22.888 16.982 1.00 0.00 O ATOM 464 CB ILE A 65 28.084 24.221 17.463 1.00 0.00 C ATOM 465 CG1 ILE A 65 27.303 23.011 16.945 1.00 0.00 C ATOM 466 CG2 ILE A 65 27.146 25.426 17.567 1.00 0.00 C ATOM 467 CD1 ILE A 65 26.162 22.689 17.913 1.00 0.00 C ATOM 0 H ILE A 65 27.770 24.659 14.939 1.00 0.00 H new ATOM 0 HA ILE A 65 29.876 25.295 16.942 1.00 0.00 H new ATOM 0 HB ILE A 65 28.496 23.995 18.447 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.904 23.220 15.952 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.966 22.151 16.848 1.00 0.00 H new ATOM 0 HG21 ILE A 65 26.333 25.196 18.256 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.701 26.289 17.936 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.734 25.653 16.583 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.605 21.827 17.545 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.573 22.462 18.897 1.00 0.00 H new ATOM 0 HD13 ILE A 65 25.495 23.548 17.987 1.00 0.00 H new ATOM 479 N ASP A 66 29.759 22.621 15.116 1.00 0.00 N ATOM 480 CA ASP A 66 30.510 21.377 14.788 1.00 0.00 C ATOM 481 C ASP A 66 30.403 21.096 13.287 1.00 0.00 C ATOM 482 O ASP A 66 29.358 20.733 12.786 1.00 0.00 O ATOM 483 CB ASP A 66 29.916 20.202 15.569 1.00 0.00 C ATOM 484 CG ASP A 66 30.876 19.012 15.508 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.943 19.166 14.936 1.00 0.00 O ATOM 486 OD2 ASP A 66 30.528 17.968 16.034 1.00 0.00 O ATOM 0 H ASP A 66 29.052 22.895 14.434 1.00 0.00 H new ATOM 0 HA ASP A 66 31.558 21.503 15.060 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.743 20.491 16.606 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.949 19.925 15.150 1.00 0.00 H new ATOM 491 N LEU A 67 31.479 21.260 12.566 1.00 0.00 N ATOM 492 CA LEU A 67 31.439 21.001 11.099 1.00 0.00 C ATOM 493 C LEU A 67 32.287 19.768 10.778 1.00 0.00 C ATOM 494 O LEU A 67 33.463 19.717 11.076 1.00 0.00 O ATOM 495 CB LEU A 67 31.998 22.213 10.351 1.00 0.00 C ATOM 496 CG LEU A 67 31.693 22.076 8.858 1.00 0.00 C ATOM 497 CD1 LEU A 67 30.689 23.153 8.441 1.00 0.00 C ATOM 498 CD2 LEU A 67 32.985 22.245 8.055 1.00 0.00 C ATOM 0 H LEU A 67 32.383 21.562 12.929 1.00 0.00 H new ATOM 0 HA LEU A 67 30.409 20.826 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 67 31.556 23.130 10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.074 22.286 10.508 1.00 0.00 H new ATOM 0 HG LEU A 67 31.270 21.090 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 67 30.472 23.056 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 67 29.768 23.033 9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 67 31.111 24.139 8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 67 32.768 22.147 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 33.408 23.230 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 67 33.700 21.478 8.351 1.00 0.00 H new ATOM 510 N SER A 68 31.698 18.772 10.173 1.00 0.00 N ATOM 511 CA SER A 68 32.471 17.544 9.836 1.00 0.00 C ATOM 512 C SER A 68 32.492 17.350 8.319 1.00 0.00 C ATOM 513 O SER A 68 31.579 17.745 7.620 1.00 0.00 O ATOM 514 CB SER A 68 31.812 16.330 10.495 1.00 0.00 C ATOM 515 OG SER A 68 31.726 16.542 11.897 1.00 0.00 O ATOM 0 H SER A 68 30.716 18.756 9.898 1.00 0.00 H new ATOM 0 HA SER A 68 33.492 17.648 10.202 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.817 16.172 10.078 1.00 0.00 H new ATOM 0 HB3 SER A 68 32.391 15.430 10.287 1.00 0.00 H new ATOM 0 HG SER A 68 31.303 15.766 12.320 1.00 0.00 H new ATOM 521 N MET A 69 33.525 16.742 7.803 1.00 0.00 N ATOM 522 CA MET A 69 33.604 16.521 6.332 1.00 0.00 C ATOM 523 C MET A 69 33.783 15.027 6.051 1.00 0.00 C ATOM 524 O MET A 69 34.456 14.325 6.779 1.00 0.00 O ATOM 525 CB MET A 69 34.797 17.293 5.763 1.00 0.00 C ATOM 526 CG MET A 69 34.554 18.795 5.922 1.00 0.00 C ATOM 527 SD MET A 69 35.834 19.711 5.028 1.00 0.00 S ATOM 528 CE MET A 69 35.231 19.371 3.356 1.00 0.00 C ATOM 0 H MET A 69 34.318 16.388 8.338 1.00 0.00 H new ATOM 0 HA MET A 69 32.686 16.873 5.861 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.711 17.005 6.282 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.936 17.045 4.711 1.00 0.00 H new ATOM 0 HG2 MET A 69 33.568 19.057 5.538 1.00 0.00 H new ATOM 0 HG3 MET A 69 34.567 19.067 6.978 1.00 0.00 H new ATOM 0 HE1 MET A 69 35.396 20.244 2.725 1.00 0.00 H new ATOM 0 HE2 MET A 69 35.768 18.517 2.942 1.00 0.00 H new ATOM 0 HE3 MET A 69 34.165 19.146 3.392 1.00 0.00 H new ATOM 538 N ASP A 70 33.185 14.536 5.000 1.00 0.00 N ATOM 539 CA ASP A 70 33.322 13.087 4.675 1.00 0.00 C ATOM 540 C ASP A 70 33.906 12.932 3.269 1.00 0.00 C ATOM 541 O ASP A 70 33.234 13.150 2.281 1.00 0.00 O ATOM 542 CB ASP A 70 31.946 12.421 4.731 1.00 0.00 C ATOM 543 CG ASP A 70 31.427 12.443 6.170 1.00 0.00 C ATOM 544 OD1 ASP A 70 31.677 13.422 6.854 1.00 0.00 O ATOM 545 OD2 ASP A 70 30.788 11.481 6.564 1.00 0.00 O ATOM 0 H ASP A 70 32.608 15.074 4.353 1.00 0.00 H new ATOM 0 HA ASP A 70 33.986 12.613 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 70 31.250 12.943 4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 70 32.012 11.394 4.373 1.00 0.00 H new ATOM 550 N PRO A 71 35.189 12.546 3.185 1.00 0.00 N ATOM 551 CA PRO A 71 35.872 12.359 1.904 1.00 0.00 C ATOM 552 C PRO A 71 35.453 11.074 1.160 1.00 0.00 C ATOM 553 O PRO A 71 35.517 11.026 -0.052 1.00 0.00 O ATOM 554 CB PRO A 71 37.349 12.296 2.287 1.00 0.00 C ATOM 555 CG PRO A 71 37.372 11.841 3.708 1.00 0.00 C ATOM 556 CD PRO A 71 36.068 12.267 4.336 1.00 0.00 C ATOM 0 HA PRO A 71 35.625 13.163 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.892 11.603 1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.825 13.271 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 71 37.490 10.759 3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 71 38.216 12.281 4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.656 11.483 4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 71 36.197 13.150 4.963 1.00 0.00 H new ATOM 564 N PRO A 72 35.020 10.008 1.872 1.00 0.00 N ATOM 565 CA PRO A 72 34.614 8.761 1.215 1.00 0.00 C ATOM 566 C PRO A 72 33.238 8.890 0.554 1.00 0.00 C ATOM 567 O PRO A 72 32.946 8.235 -0.427 1.00 0.00 O ATOM 568 CB PRO A 72 34.547 7.751 2.355 1.00 0.00 C ATOM 569 CG PRO A 72 34.291 8.565 3.578 1.00 0.00 C ATOM 570 CD PRO A 72 34.893 9.924 3.342 1.00 0.00 C ATOM 0 HA PRO A 72 35.305 8.479 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 72 33.752 7.024 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 72 35.478 7.191 2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 72 33.221 8.646 3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.736 8.094 4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 72 34.255 10.717 3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.861 10.022 3.833 1.00 0.00 H new ATOM 578 N ARG A 73 32.391 9.729 1.085 1.00 0.00 N ATOM 579 CA ARG A 73 31.036 9.898 0.489 1.00 0.00 C ATOM 580 C ARG A 73 30.950 11.254 -0.216 1.00 0.00 C ATOM 581 O ARG A 73 29.959 11.576 -0.840 1.00 0.00 O ATOM 582 CB ARG A 73 29.982 9.830 1.595 1.00 0.00 C ATOM 583 CG ARG A 73 29.988 8.433 2.220 1.00 0.00 C ATOM 584 CD ARG A 73 28.809 8.301 3.187 1.00 0.00 C ATOM 585 NE ARG A 73 28.950 7.042 3.971 1.00 0.00 N ATOM 586 CZ ARG A 73 28.090 6.074 3.811 1.00 0.00 C ATOM 587 NH1 ARG A 73 28.170 5.294 2.767 1.00 0.00 N ATOM 588 NH2 ARG A 73 27.148 5.885 4.695 1.00 0.00 N ATOM 0 H ARG A 73 32.579 10.305 1.906 1.00 0.00 H new ATOM 0 HA ARG A 73 30.857 9.103 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 73 30.190 10.582 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 73 28.996 10.053 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 73 29.919 7.674 1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 73 30.926 8.263 2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 73 28.778 9.159 3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 73 27.870 8.295 2.634 1.00 0.00 H new ATOM 0 HE ARG A 73 29.719 6.937 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 73 28.905 5.441 2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 73 27.497 4.537 2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 73 27.084 6.494 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 73 26.476 5.128 4.570 1.00 0.00 H new ATOM 602 N ASN A 74 31.979 12.051 -0.122 1.00 0.00 N ATOM 603 CA ASN A 74 31.950 13.384 -0.788 1.00 0.00 C ATOM 604 C ASN A 74 30.816 14.225 -0.198 1.00 0.00 C ATOM 605 O ASN A 74 30.165 14.980 -0.893 1.00 0.00 O ATOM 606 CB ASN A 74 31.719 13.198 -2.289 1.00 0.00 C ATOM 607 CG ASN A 74 32.868 12.381 -2.885 1.00 0.00 C ATOM 608 OD1 ASN A 74 34.011 12.556 -2.511 1.00 0.00 O ATOM 609 ND2 ASN A 74 32.610 11.490 -3.803 1.00 0.00 N ATOM 0 H ASN A 74 32.837 11.837 0.386 1.00 0.00 H new ATOM 0 HA ASN A 74 32.901 13.892 -0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.770 12.690 -2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 74 31.655 14.169 -2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 74 33.368 10.940 -4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 74 31.650 11.344 -4.116 1.00 0.00 H new ATOM 616 N CYS A 75 30.574 14.101 1.078 1.00 0.00 N ATOM 617 CA CYS A 75 29.482 14.894 1.710 1.00 0.00 C ATOM 618 C CYS A 75 30.012 15.576 2.973 1.00 0.00 C ATOM 619 O CYS A 75 30.726 14.983 3.757 1.00 0.00 O ATOM 620 CB CYS A 75 28.324 13.965 2.078 1.00 0.00 C ATOM 621 SG CYS A 75 28.834 12.870 3.426 1.00 0.00 S ATOM 0 H CYS A 75 31.085 13.485 1.710 1.00 0.00 H new ATOM 0 HA CYS A 75 29.130 15.651 1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.456 14.551 2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 75 28.026 13.377 1.210 1.00 0.00 H new ATOM 0 HG CYS A 75 28.428 13.360 4.560 1.00 0.00 H new ATOM 627 N ALA A 76 29.667 16.818 3.177 1.00 0.00 N ATOM 628 CA ALA A 76 30.152 17.536 4.390 1.00 0.00 C ATOM 629 C ALA A 76 28.979 17.776 5.342 1.00 0.00 C ATOM 630 O ALA A 76 27.852 17.952 4.923 1.00 0.00 O ATOM 631 CB ALA A 76 30.760 18.878 3.980 1.00 0.00 C ATOM 0 H ALA A 76 29.071 17.366 2.557 1.00 0.00 H new ATOM 0 HA ALA A 76 30.909 16.933 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 76 31.115 19.403 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.596 18.707 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 76 30.004 19.482 3.479 1.00 0.00 H new ATOM 637 N PHE A 77 29.234 17.786 6.622 1.00 0.00 N ATOM 638 CA PHE A 77 28.133 18.015 7.599 1.00 0.00 C ATOM 639 C PHE A 77 28.362 19.342 8.326 1.00 0.00 C ATOM 640 O PHE A 77 29.444 19.622 8.802 1.00 0.00 O ATOM 641 CB PHE A 77 28.109 16.872 8.617 1.00 0.00 C ATOM 642 CG PHE A 77 27.728 15.588 7.921 1.00 0.00 C ATOM 643 CD1 PHE A 77 26.379 15.239 7.784 1.00 0.00 C ATOM 644 CD2 PHE A 77 28.724 14.745 7.412 1.00 0.00 C ATOM 645 CE1 PHE A 77 26.026 14.048 7.139 1.00 0.00 C ATOM 646 CE2 PHE A 77 28.370 13.554 6.766 1.00 0.00 C ATOM 647 CZ PHE A 77 27.021 13.206 6.630 1.00 0.00 C ATOM 0 H PHE A 77 30.157 17.646 7.033 1.00 0.00 H new ATOM 0 HA PHE A 77 27.180 18.051 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 77 29.087 16.768 9.086 1.00 0.00 H new ATOM 0 HB3 PHE A 77 27.396 17.093 9.412 1.00 0.00 H new ATOM 0 HD1 PHE A 77 25.611 15.889 8.176 1.00 0.00 H new ATOM 0 HD2 PHE A 77 29.765 15.013 7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 77 24.985 13.779 7.034 1.00 0.00 H new ATOM 0 HE2 PHE A 77 29.138 12.904 6.373 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.748 12.287 6.132 1.00 0.00 H new ATOM 657 N VAL A 78 27.350 20.162 8.416 1.00 0.00 N ATOM 658 CA VAL A 78 27.510 21.470 9.113 1.00 0.00 C ATOM 659 C VAL A 78 26.485 21.574 10.244 1.00 0.00 C ATOM 660 O VAL A 78 25.305 21.362 10.047 1.00 0.00 O ATOM 661 CB VAL A 78 27.288 22.608 8.116 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.576 23.947 8.799 1.00 0.00 C ATOM 663 CG2 VAL A 78 28.229 22.433 6.922 1.00 0.00 C ATOM 0 H VAL A 78 26.420 19.983 8.037 1.00 0.00 H new ATOM 0 HA VAL A 78 28.516 21.541 9.528 1.00 0.00 H new ATOM 0 HB VAL A 78 26.255 22.590 7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.418 24.759 8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.906 24.073 9.650 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.609 23.964 9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 78 28.070 23.244 6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 78 29.263 22.450 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 78 28.025 21.479 6.435 1.00 0.00 H new ATOM 673 N THR A 79 26.926 21.899 11.429 1.00 0.00 N ATOM 674 CA THR A 79 25.976 22.016 12.571 1.00 0.00 C ATOM 675 C THR A 79 25.668 23.493 12.828 1.00 0.00 C ATOM 676 O THR A 79 26.556 24.319 12.898 1.00 0.00 O ATOM 677 CB THR A 79 26.605 21.399 13.823 1.00 0.00 C ATOM 678 OG1 THR A 79 27.125 20.116 13.506 1.00 0.00 O ATOM 679 CG2 THR A 79 25.544 21.267 14.916 1.00 0.00 C ATOM 0 H THR A 79 27.902 22.088 11.655 1.00 0.00 H new ATOM 0 HA THR A 79 25.052 21.489 12.332 1.00 0.00 H new ATOM 0 HB THR A 79 27.412 22.040 14.179 1.00 0.00 H new ATOM 0 HG1 THR A 79 28.037 20.209 13.159 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.992 20.828 15.807 1.00 0.00 H new ATOM 0 HG22 THR A 79 25.146 22.253 15.158 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.736 20.626 14.563 1.00 0.00 H new ATOM 687 N TYR A 80 24.415 23.832 12.970 1.00 0.00 N ATOM 688 CA TYR A 80 24.051 25.255 13.221 1.00 0.00 C ATOM 689 C TYR A 80 23.494 25.397 14.639 1.00 0.00 C ATOM 690 O TYR A 80 22.839 24.512 15.151 1.00 0.00 O ATOM 691 CB TYR A 80 22.989 25.695 12.213 1.00 0.00 C ATOM 692 CG TYR A 80 23.657 26.347 11.026 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.678 27.283 11.224 1.00 0.00 C ATOM 694 CD2 TYR A 80 23.253 26.015 9.727 1.00 0.00 C ATOM 695 CE1 TYR A 80 25.296 27.888 10.122 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.871 26.619 8.626 1.00 0.00 C ATOM 697 CZ TYR A 80 24.893 27.556 8.824 1.00 0.00 C ATOM 698 OH TYR A 80 25.501 28.153 7.738 1.00 0.00 O ATOM 0 H TYR A 80 23.628 23.185 12.923 1.00 0.00 H new ATOM 0 HA TYR A 80 24.937 25.880 13.113 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.404 24.835 11.887 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.295 26.393 12.682 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.989 27.539 12.226 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.465 25.293 9.575 1.00 0.00 H new ATOM 0 HE1 TYR A 80 26.084 28.611 10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.560 26.363 7.624 1.00 0.00 H new ATOM 0 HH TYR A 80 26.045 28.910 8.042 1.00 0.00 H new ATOM 708 N GLU A 81 23.748 26.507 15.278 1.00 0.00 N ATOM 709 CA GLU A 81 23.229 26.705 16.660 1.00 0.00 C ATOM 710 C GLU A 81 21.712 26.898 16.611 1.00 0.00 C ATOM 711 O GLU A 81 21.003 26.567 17.541 1.00 0.00 O ATOM 712 CB GLU A 81 23.881 27.943 17.278 1.00 0.00 C ATOM 713 CG GLU A 81 23.486 28.046 18.752 1.00 0.00 C ATOM 714 CD GLU A 81 24.039 29.346 19.340 1.00 0.00 C ATOM 715 OE1 GLU A 81 24.682 30.078 18.606 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.809 29.587 20.513 1.00 0.00 O ATOM 0 H GLU A 81 24.292 27.284 14.903 1.00 0.00 H new ATOM 0 HA GLU A 81 23.465 25.830 17.266 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.965 27.881 17.185 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.566 28.839 16.743 1.00 0.00 H new ATOM 0 HG2 GLU A 81 22.401 28.023 18.851 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.875 27.190 19.304 1.00 0.00 H new ATOM 723 N LYS A 82 21.209 27.430 15.531 1.00 0.00 N ATOM 724 CA LYS A 82 19.738 27.644 15.420 1.00 0.00 C ATOM 725 C LYS A 82 19.218 26.953 14.158 1.00 0.00 C ATOM 726 O LYS A 82 19.895 26.886 13.152 1.00 0.00 O ATOM 727 CB LYS A 82 19.446 29.144 15.337 1.00 0.00 C ATOM 728 CG LYS A 82 19.948 29.833 16.607 1.00 0.00 C ATOM 729 CD LYS A 82 19.570 31.315 16.568 1.00 0.00 C ATOM 730 CE LYS A 82 20.247 32.045 17.730 1.00 0.00 C ATOM 731 NZ LYS A 82 19.377 31.970 18.937 1.00 0.00 N ATOM 0 H LYS A 82 21.753 27.726 14.720 1.00 0.00 H new ATOM 0 HA LYS A 82 19.242 27.225 16.295 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.934 29.572 14.461 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.375 29.311 15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.513 29.359 17.487 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.030 29.725 16.689 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.878 31.755 15.619 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.488 31.427 16.635 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.218 31.596 17.940 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.428 33.086 17.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.836 32.466 19.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.461 32.418 18.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.226 30.974 19.195 1.00 0.00 H new ATOM 745 N MET A 83 18.020 26.438 14.203 1.00 0.00 N ATOM 746 CA MET A 83 17.459 25.752 13.004 1.00 0.00 C ATOM 747 C MET A 83 17.287 26.765 11.871 1.00 0.00 C ATOM 748 O MET A 83 17.242 26.411 10.710 1.00 0.00 O ATOM 749 CB MET A 83 16.100 25.142 13.354 1.00 0.00 C ATOM 750 CG MET A 83 16.293 24.017 14.373 1.00 0.00 C ATOM 751 SD MET A 83 14.751 23.084 14.542 1.00 0.00 S ATOM 752 CE MET A 83 15.124 22.316 16.137 1.00 0.00 C ATOM 0 H MET A 83 17.406 26.462 15.017 1.00 0.00 H new ATOM 0 HA MET A 83 18.140 24.963 12.685 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.440 25.908 13.762 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.621 24.754 12.455 1.00 0.00 H new ATOM 0 HG2 MET A 83 17.097 23.355 14.052 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.587 24.432 15.337 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.716 21.305 16.158 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.204 22.274 16.277 1.00 0.00 H new ATOM 0 HE3 MET A 83 14.677 22.905 16.938 1.00 0.00 H new ATOM 762 N GLU A 84 17.191 28.025 12.198 1.00 0.00 N ATOM 763 CA GLU A 84 17.021 29.059 11.139 1.00 0.00 C ATOM 764 C GLU A 84 18.318 29.187 10.336 1.00 0.00 C ATOM 765 O GLU A 84 18.300 29.375 9.136 1.00 0.00 O ATOM 766 CB GLU A 84 16.690 30.405 11.788 1.00 0.00 C ATOM 767 CG GLU A 84 15.328 30.316 12.479 1.00 0.00 C ATOM 768 CD GLU A 84 14.971 31.677 13.080 1.00 0.00 C ATOM 769 OE1 GLU A 84 15.830 32.543 13.086 1.00 0.00 O ATOM 770 OE2 GLU A 84 13.845 31.830 13.523 1.00 0.00 O ATOM 0 H GLU A 84 17.223 28.383 13.153 1.00 0.00 H new ATOM 0 HA GLU A 84 16.209 28.766 10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.460 30.671 12.512 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.676 31.191 11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.564 30.011 11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.354 29.557 13.261 1.00 0.00 H new ATOM 777 N SER A 85 19.443 29.087 10.989 1.00 0.00 N ATOM 778 CA SER A 85 20.739 29.203 10.262 1.00 0.00 C ATOM 779 C SER A 85 20.828 28.106 9.199 1.00 0.00 C ATOM 780 O SER A 85 21.391 28.299 8.140 1.00 0.00 O ATOM 781 CB SER A 85 21.895 29.048 11.252 1.00 0.00 C ATOM 782 OG SER A 85 21.721 29.957 12.328 1.00 0.00 O ATOM 0 H SER A 85 19.521 28.930 11.994 1.00 0.00 H new ATOM 0 HA SER A 85 20.800 30.180 9.782 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.931 28.026 11.628 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.845 29.238 10.751 1.00 0.00 H new ATOM 0 HG SER A 85 22.460 29.857 12.963 1.00 0.00 H new ATOM 788 N ALA A 86 20.277 26.956 9.473 1.00 0.00 N ATOM 789 CA ALA A 86 20.331 25.848 8.479 1.00 0.00 C ATOM 790 C ALA A 86 19.261 26.070 7.407 1.00 0.00 C ATOM 791 O ALA A 86 19.408 25.655 6.275 1.00 0.00 O ATOM 792 CB ALA A 86 20.076 24.516 9.186 1.00 0.00 C ATOM 0 H ALA A 86 19.792 26.736 10.343 1.00 0.00 H new ATOM 0 HA ALA A 86 21.315 25.828 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 86 20.115 23.705 8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.838 24.357 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 86 19.092 24.535 9.655 1.00 0.00 H new ATOM 798 N ASP A 87 18.185 26.722 7.755 1.00 0.00 N ATOM 799 CA ASP A 87 17.107 26.968 6.756 1.00 0.00 C ATOM 800 C ASP A 87 17.618 27.926 5.678 1.00 0.00 C ATOM 801 O ASP A 87 17.408 27.719 4.499 1.00 0.00 O ATOM 802 CB ASP A 87 15.896 27.588 7.456 1.00 0.00 C ATOM 803 CG ASP A 87 15.245 26.546 8.368 1.00 0.00 C ATOM 804 OD1 ASP A 87 15.597 25.383 8.252 1.00 0.00 O ATOM 805 OD2 ASP A 87 14.407 26.928 9.168 1.00 0.00 O ATOM 0 H ASP A 87 18.006 27.095 8.687 1.00 0.00 H new ATOM 0 HA ASP A 87 16.817 26.024 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.205 28.455 8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.176 27.940 6.717 1.00 0.00 H new ATOM 810 N GLN A 88 18.288 28.975 6.072 1.00 0.00 N ATOM 811 CA GLN A 88 18.810 29.945 5.068 1.00 0.00 C ATOM 812 C GLN A 88 19.985 29.317 4.316 1.00 0.00 C ATOM 813 O GLN A 88 20.133 29.488 3.122 1.00 0.00 O ATOM 814 CB GLN A 88 19.280 31.214 5.782 1.00 0.00 C ATOM 815 CG GLN A 88 19.688 32.262 4.745 1.00 0.00 C ATOM 816 CD GLN A 88 20.194 33.517 5.459 1.00 0.00 C ATOM 817 OE1 GLN A 88 20.112 33.617 6.667 1.00 0.00 O ATOM 818 NE2 GLN A 88 20.718 34.485 4.759 1.00 0.00 N ATOM 0 H GLN A 88 18.496 29.202 7.044 1.00 0.00 H new ATOM 0 HA GLN A 88 18.020 30.198 4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 88 18.483 31.604 6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 88 20.122 30.986 6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 88 20.466 31.862 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.838 32.510 4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 88 20.787 34.401 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 88 21.059 35.325 5.226 1.00 0.00 H new ATOM 827 N ALA A 89 20.823 28.591 5.005 1.00 0.00 N ATOM 828 CA ALA A 89 21.987 27.954 4.328 1.00 0.00 C ATOM 829 C ALA A 89 21.506 26.766 3.492 1.00 0.00 C ATOM 830 O ALA A 89 21.895 26.598 2.354 1.00 0.00 O ATOM 831 CB ALA A 89 22.984 27.465 5.381 1.00 0.00 C ATOM 0 H ALA A 89 20.752 28.412 6.007 1.00 0.00 H new ATOM 0 HA ALA A 89 22.471 28.683 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.836 26.999 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 89 23.328 28.311 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.499 26.737 6.031 1.00 0.00 H new ATOM 837 N VAL A 90 20.661 25.941 4.047 1.00 0.00 N ATOM 838 CA VAL A 90 20.157 24.764 3.284 1.00 0.00 C ATOM 839 C VAL A 90 19.229 25.239 2.164 1.00 0.00 C ATOM 840 O VAL A 90 19.204 24.677 1.087 1.00 0.00 O ATOM 841 CB VAL A 90 19.384 23.839 4.226 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.688 22.747 3.410 1.00 0.00 C ATOM 843 CG2 VAL A 90 20.353 23.194 5.218 1.00 0.00 C ATOM 0 H VAL A 90 20.298 26.031 4.996 1.00 0.00 H new ATOM 0 HA VAL A 90 21.000 24.224 2.853 1.00 0.00 H new ATOM 0 HB VAL A 90 18.638 24.417 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 90 18.137 22.087 4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.997 23.206 2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.434 22.169 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.802 22.535 5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.099 22.616 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.849 23.971 5.799 1.00 0.00 H new ATOM 853 N ALA A 91 18.464 26.267 2.410 1.00 0.00 N ATOM 854 CA ALA A 91 17.537 26.774 1.360 1.00 0.00 C ATOM 855 C ALA A 91 18.316 27.620 0.351 1.00 0.00 C ATOM 856 O ALA A 91 18.089 27.547 -0.841 1.00 0.00 O ATOM 857 CB ALA A 91 16.450 27.631 2.011 1.00 0.00 C ATOM 0 H ALA A 91 18.441 26.778 3.293 1.00 0.00 H new ATOM 0 HA ALA A 91 17.077 25.930 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.771 28.002 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.892 27.028 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.911 28.474 2.526 1.00 0.00 H new ATOM 863 N GLU A 92 19.233 28.423 0.817 1.00 0.00 N ATOM 864 CA GLU A 92 20.022 29.274 -0.119 1.00 0.00 C ATOM 865 C GLU A 92 21.090 28.422 -0.808 1.00 0.00 C ATOM 866 O GLU A 92 21.318 28.537 -1.996 1.00 0.00 O ATOM 867 CB GLU A 92 20.696 30.403 0.664 1.00 0.00 C ATOM 868 CG GLU A 92 21.112 31.513 -0.300 1.00 0.00 C ATOM 869 CD GLU A 92 21.853 32.607 0.472 1.00 0.00 C ATOM 870 OE1 GLU A 92 21.508 32.832 1.620 1.00 0.00 O ATOM 871 OE2 GLU A 92 22.753 33.201 -0.099 1.00 0.00 O ATOM 0 H GLU A 92 19.470 28.527 1.804 1.00 0.00 H new ATOM 0 HA GLU A 92 19.357 29.699 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 92 20.012 30.797 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.568 30.022 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 92 21.753 31.108 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 92 20.233 31.931 -0.791 1.00 0.00 H new ATOM 878 N LEU A 93 21.749 27.569 -0.072 1.00 0.00 N ATOM 879 CA LEU A 93 22.802 26.713 -0.688 1.00 0.00 C ATOM 880 C LEU A 93 22.147 25.679 -1.607 1.00 0.00 C ATOM 881 O LEU A 93 22.634 25.396 -2.684 1.00 0.00 O ATOM 882 CB LEU A 93 23.583 25.994 0.414 1.00 0.00 C ATOM 883 CG LEU A 93 24.226 27.028 1.340 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.733 26.335 2.606 1.00 0.00 C ATOM 885 CD2 LEU A 93 25.399 27.698 0.620 1.00 0.00 C ATOM 0 H LEU A 93 21.604 27.428 0.928 1.00 0.00 H new ATOM 0 HA LEU A 93 23.482 27.336 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.917 25.345 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.350 25.357 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 93 23.487 27.782 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 93 25.191 27.072 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.898 25.858 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.472 25.580 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.858 28.435 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 93 26.138 26.944 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 93 25.038 28.193 -0.282 1.00 0.00 H new ATOM 897 N ASN A 94 21.048 25.112 -1.192 1.00 0.00 N ATOM 898 CA ASN A 94 20.365 24.098 -2.044 1.00 0.00 C ATOM 899 C ASN A 94 19.872 24.761 -3.331 1.00 0.00 C ATOM 900 O ASN A 94 19.225 25.788 -3.304 1.00 0.00 O ATOM 901 CB ASN A 94 19.174 23.511 -1.285 1.00 0.00 C ATOM 902 CG ASN A 94 18.573 22.359 -2.092 1.00 0.00 C ATOM 903 OD1 ASN A 94 18.989 22.097 -3.203 1.00 0.00 O ATOM 904 ND2 ASN A 94 17.603 21.655 -1.576 1.00 0.00 N ATOM 0 H ASN A 94 20.593 25.307 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 94 21.066 23.301 -2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.493 23.155 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.422 24.281 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.194 20.885 -2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.254 21.875 -0.643 1.00 0.00 H new ATOM 911 N GLY A 95 20.173 24.180 -4.461 1.00 0.00 N ATOM 912 CA GLY A 95 19.721 24.777 -5.749 1.00 0.00 C ATOM 913 C GLY A 95 20.771 25.773 -6.247 1.00 0.00 C ATOM 914 O GLY A 95 20.464 26.709 -6.958 1.00 0.00 O ATOM 0 H GLY A 95 20.712 23.318 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 95 19.567 23.993 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.763 25.280 -5.613 1.00 0.00 H new ATOM 918 N THR A 96 22.008 25.580 -5.880 1.00 0.00 N ATOM 919 CA THR A 96 23.074 26.516 -6.335 1.00 0.00 C ATOM 920 C THR A 96 24.175 25.730 -7.049 1.00 0.00 C ATOM 921 O THR A 96 24.490 24.613 -6.686 1.00 0.00 O ATOM 922 CB THR A 96 23.668 27.242 -5.125 1.00 0.00 C ATOM 923 OG1 THR A 96 24.447 26.331 -4.363 1.00 0.00 O ATOM 924 CG2 THR A 96 22.539 27.801 -4.258 1.00 0.00 C ATOM 0 H THR A 96 22.326 24.815 -5.285 1.00 0.00 H new ATOM 0 HA THR A 96 22.646 27.246 -7.022 1.00 0.00 H new ATOM 0 HB THR A 96 24.300 28.062 -5.467 1.00 0.00 H new ATOM 0 HG1 THR A 96 23.968 26.099 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 96 22.963 28.318 -3.397 1.00 0.00 H new ATOM 0 HG22 THR A 96 21.943 28.501 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 96 21.905 26.983 -3.915 1.00 0.00 H new ATOM 932 N GLN A 97 24.762 26.305 -8.062 1.00 0.00 N ATOM 933 CA GLN A 97 25.843 25.593 -8.800 1.00 0.00 C ATOM 934 C GLN A 97 27.138 26.402 -8.710 1.00 0.00 C ATOM 935 O GLN A 97 27.128 27.616 -8.758 1.00 0.00 O ATOM 936 CB GLN A 97 25.440 25.438 -10.268 1.00 0.00 C ATOM 937 CG GLN A 97 26.443 24.527 -10.979 1.00 0.00 C ATOM 938 CD GLN A 97 26.124 24.487 -12.475 1.00 0.00 C ATOM 939 OE1 GLN A 97 25.087 24.956 -12.900 1.00 0.00 O ATOM 940 NE2 GLN A 97 26.978 23.942 -13.298 1.00 0.00 N ATOM 0 H GLN A 97 24.540 27.237 -8.411 1.00 0.00 H new ATOM 0 HA GLN A 97 25.998 24.608 -8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 97 24.437 25.017 -10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 97 25.411 26.414 -10.753 1.00 0.00 H new ATOM 0 HG2 GLN A 97 27.458 24.893 -10.822 1.00 0.00 H new ATOM 0 HG3 GLN A 97 26.398 23.522 -10.560 1.00 0.00 H new ATOM 0 HE21 GLN A 97 27.849 23.548 -12.942 1.00 0.00 H new ATOM 0 HE22 GLN A 97 26.774 23.910 -14.297 1.00 0.00 H new ATOM 949 N VAL A 98 28.255 25.740 -8.577 1.00 0.00 N ATOM 950 CA VAL A 98 29.549 26.474 -8.482 1.00 0.00 C ATOM 951 C VAL A 98 30.068 26.772 -9.890 1.00 0.00 C ATOM 952 O VAL A 98 29.310 26.862 -10.835 1.00 0.00 O ATOM 953 CB VAL A 98 30.573 25.619 -7.729 1.00 0.00 C ATOM 954 CG1 VAL A 98 31.546 26.533 -6.980 1.00 0.00 C ATOM 955 CG2 VAL A 98 29.853 24.715 -6.725 1.00 0.00 C ATOM 0 H VAL A 98 28.328 24.724 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 98 29.396 27.409 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 98 31.122 25.003 -8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 98 32.275 25.926 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 98 32.063 27.176 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 98 30.994 27.148 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 98 30.585 24.108 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 98 29.302 25.329 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 98 29.159 24.063 -7.255 1.00 0.00 H new ATOM 965 N GLU A 99 31.356 26.926 -10.038 1.00 0.00 N ATOM 966 CA GLU A 99 31.921 27.218 -11.386 1.00 0.00 C ATOM 967 C GLU A 99 31.547 26.091 -12.351 1.00 0.00 C ATOM 968 O GLU A 99 31.205 26.326 -13.493 1.00 0.00 O ATOM 969 CB GLU A 99 33.444 27.322 -11.288 1.00 0.00 C ATOM 970 CG GLU A 99 33.820 28.549 -10.455 1.00 0.00 C ATOM 971 CD GLU A 99 35.340 28.718 -10.452 1.00 0.00 C ATOM 972 OE1 GLU A 99 36.016 27.830 -10.946 1.00 0.00 O ATOM 973 OE2 GLU A 99 35.803 29.731 -9.956 1.00 0.00 O ATOM 0 H GLU A 99 32.041 26.862 -9.284 1.00 0.00 H new ATOM 0 HA GLU A 99 31.515 28.160 -11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 99 33.852 26.420 -10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 99 33.879 27.399 -12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 99 33.345 29.440 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 99 33.454 28.435 -9.435 1.00 0.00 H new ATOM 980 N SER A 100 31.609 24.868 -11.900 1.00 0.00 N ATOM 981 CA SER A 100 31.257 23.727 -12.792 1.00 0.00 C ATOM 982 C SER A 100 30.775 22.548 -11.943 1.00 0.00 C ATOM 983 O SER A 100 30.853 21.405 -12.349 1.00 0.00 O ATOM 984 CB SER A 100 32.490 23.308 -13.594 1.00 0.00 C ATOM 985 OG SER A 100 32.317 21.982 -14.073 1.00 0.00 O ATOM 0 H SER A 100 31.888 24.610 -10.953 1.00 0.00 H new ATOM 0 HA SER A 100 30.465 24.030 -13.477 1.00 0.00 H new ATOM 0 HB2 SER A 100 32.642 23.991 -14.430 1.00 0.00 H new ATOM 0 HB3 SER A 100 33.381 23.366 -12.968 1.00 0.00 H new ATOM 0 HG SER A 100 31.402 21.684 -13.888 1.00 0.00 H new ATOM 991 N VAL A 101 30.277 22.817 -10.767 1.00 0.00 N ATOM 992 CA VAL A 101 29.792 21.712 -9.894 1.00 0.00 C ATOM 993 C VAL A 101 28.463 22.116 -9.252 1.00 0.00 C ATOM 994 O VAL A 101 28.064 23.263 -9.298 1.00 0.00 O ATOM 995 CB VAL A 101 30.825 21.437 -8.799 1.00 0.00 C ATOM 996 CG1 VAL A 101 30.353 20.266 -7.934 1.00 0.00 C ATOM 997 CG2 VAL A 101 32.168 21.087 -9.442 1.00 0.00 C ATOM 0 H VAL A 101 30.185 23.754 -10.374 1.00 0.00 H new ATOM 0 HA VAL A 101 29.648 20.812 -10.492 1.00 0.00 H new ATOM 0 HB VAL A 101 30.940 22.325 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 101 31.089 20.070 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 101 29.396 20.515 -7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 101 30.238 19.378 -8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 101 32.904 20.891 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.053 20.199 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 101 32.505 21.921 -10.058 1.00 0.00 H new ATOM 1007 N GLN A 102 27.775 21.184 -8.652 1.00 0.00 N ATOM 1008 CA GLN A 102 26.474 21.515 -8.006 1.00 0.00 C ATOM 1009 C GLN A 102 26.521 21.100 -6.536 1.00 0.00 C ATOM 1010 O GLN A 102 27.199 20.162 -6.168 1.00 0.00 O ATOM 1011 CB GLN A 102 25.346 20.762 -8.714 1.00 0.00 C ATOM 1012 CG GLN A 102 25.227 21.258 -10.156 1.00 0.00 C ATOM 1013 CD GLN A 102 24.128 20.474 -10.876 1.00 0.00 C ATOM 1014 OE1 GLN A 102 23.690 19.444 -10.402 1.00 0.00 O ATOM 1015 NE2 GLN A 102 23.660 20.920 -12.010 1.00 0.00 N ATOM 0 H GLN A 102 28.058 20.207 -8.581 1.00 0.00 H new ATOM 0 HA GLN A 102 26.293 22.587 -8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 102 25.546 19.691 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 102 24.405 20.916 -8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 102 24.996 22.323 -10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 102 26.177 21.132 -10.675 1.00 0.00 H new ATOM 0 HE21 GLN A 102 24.027 21.784 -12.409 1.00 0.00 H new ATOM 0 HE22 GLN A 102 22.927 20.404 -12.498 1.00 0.00 H new ATOM 1024 N LEU A 103 25.809 21.791 -5.689 1.00 0.00 N ATOM 1025 CA LEU A 103 25.822 21.430 -4.244 1.00 0.00 C ATOM 1026 C LEU A 103 24.406 21.077 -3.786 1.00 0.00 C ATOM 1027 O LEU A 103 23.495 21.875 -3.878 1.00 0.00 O ATOM 1028 CB LEU A 103 26.342 22.613 -3.427 1.00 0.00 C ATOM 1029 CG LEU A 103 27.567 22.172 -2.623 1.00 0.00 C ATOM 1030 CD1 LEU A 103 28.820 22.831 -3.201 1.00 0.00 C ATOM 1031 CD2 LEU A 103 27.397 22.592 -1.162 1.00 0.00 C ATOM 0 H LEU A 103 25.221 22.587 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 103 26.474 20.569 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 103 26.604 23.439 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 103 25.564 22.977 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 103 27.668 21.088 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 103 29.693 22.517 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 103 28.942 22.531 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 103 28.720 23.915 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 103 28.270 22.278 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 103 27.296 23.676 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 103 26.504 22.122 -0.750 1.00 0.00 H new ATOM 1043 N LYS A 104 24.216 19.885 -3.290 1.00 0.00 N ATOM 1044 CA LYS A 104 22.862 19.478 -2.821 1.00 0.00 C ATOM 1045 C LYS A 104 22.845 19.452 -1.291 1.00 0.00 C ATOM 1046 O LYS A 104 23.723 18.896 -0.661 1.00 0.00 O ATOM 1047 CB LYS A 104 22.533 18.084 -3.359 1.00 0.00 C ATOM 1048 CG LYS A 104 22.594 18.099 -4.888 1.00 0.00 C ATOM 1049 CD LYS A 104 22.210 16.720 -5.428 1.00 0.00 C ATOM 1050 CE LYS A 104 22.275 16.735 -6.956 1.00 0.00 C ATOM 1051 NZ LYS A 104 21.022 16.151 -7.512 1.00 0.00 N ATOM 0 H LYS A 104 24.941 19.175 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 104 22.120 20.190 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 104 23.239 17.354 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 104 21.540 17.779 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 104 21.917 18.857 -5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 104 23.598 18.365 -5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 104 22.885 15.962 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 104 21.205 16.455 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 104 22.404 17.756 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 104 23.138 16.165 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.066 16.161 -8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.918 15.171 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.206 16.713 -7.194 1.00 0.00 H new ATOM 1065 N VAL A 105 21.856 20.052 -0.687 1.00 0.00 N ATOM 1066 CA VAL A 105 21.791 20.061 0.802 1.00 0.00 C ATOM 1067 C VAL A 105 20.616 19.202 1.271 1.00 0.00 C ATOM 1068 O VAL A 105 19.545 19.230 0.698 1.00 0.00 O ATOM 1069 CB VAL A 105 21.601 21.497 1.294 1.00 0.00 C ATOM 1070 CG1 VAL A 105 21.791 21.545 2.812 1.00 0.00 C ATOM 1071 CG2 VAL A 105 22.631 22.407 0.622 1.00 0.00 C ATOM 0 H VAL A 105 21.092 20.535 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 105 22.718 19.656 1.207 1.00 0.00 H new ATOM 0 HB VAL A 105 20.597 21.838 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.656 22.568 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 105 21.057 20.897 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 105 22.795 21.205 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 105 22.496 23.430 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 105 23.636 22.067 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 105 22.496 22.373 -0.459 1.00 0.00 H new ATOM 1081 N ASN A 106 20.808 18.440 2.313 1.00 0.00 N ATOM 1082 CA ASN A 106 19.703 17.580 2.824 1.00 0.00 C ATOM 1083 C ASN A 106 19.652 17.676 4.350 1.00 0.00 C ATOM 1084 O ASN A 106 20.337 18.477 4.954 1.00 0.00 O ATOM 1085 CB ASN A 106 19.953 16.128 2.411 1.00 0.00 C ATOM 1086 CG ASN A 106 19.873 16.010 0.888 1.00 0.00 C ATOM 1087 OD1 ASN A 106 19.378 16.898 0.223 1.00 0.00 O ATOM 1088 ND2 ASN A 106 20.341 14.941 0.303 1.00 0.00 N ATOM 0 H ASN A 106 21.683 18.376 2.833 1.00 0.00 H new ATOM 0 HA ASN A 106 18.755 17.917 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 106 20.933 15.803 2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 106 19.215 15.474 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 106 20.291 14.852 -0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 106 20.757 14.195 0.861 1.00 0.00 H new ATOM 1095 N ILE A 107 18.847 16.865 4.980 1.00 0.00 N ATOM 1096 CA ILE A 107 18.756 16.913 6.466 1.00 0.00 C ATOM 1097 C ILE A 107 19.449 15.685 7.060 1.00 0.00 C ATOM 1098 O ILE A 107 19.210 14.567 6.649 1.00 0.00 O ATOM 1099 CB ILE A 107 17.286 16.923 6.889 1.00 0.00 C ATOM 1100 CG1 ILE A 107 16.551 18.048 6.158 1.00 0.00 C ATOM 1101 CG2 ILE A 107 17.191 17.150 8.399 1.00 0.00 C ATOM 1102 CD1 ILE A 107 17.353 19.346 6.280 1.00 0.00 C ATOM 0 H ILE A 107 18.249 16.172 4.530 1.00 0.00 H new ATOM 0 HA ILE A 107 19.244 17.817 6.829 1.00 0.00 H new ATOM 0 HB ILE A 107 16.830 15.966 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 107 16.418 17.788 5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 107 15.556 18.182 6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 107 16.144 17.157 8.701 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.713 16.348 8.921 1.00 0.00 H new ATOM 0 HG23 ILE A 107 17.648 18.106 8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 107 16.829 20.148 5.759 1.00 0.00 H new ATOM 0 HD12 ILE A 107 17.463 19.608 7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.339 19.208 5.836 1.00 0.00 H new ATOM 1114 N ALA A 108 20.307 15.884 8.023 1.00 0.00 N ATOM 1115 CA ALA A 108 21.015 14.728 8.641 1.00 0.00 C ATOM 1116 C ALA A 108 20.331 14.359 9.959 1.00 0.00 C ATOM 1117 O ALA A 108 19.741 15.191 10.618 1.00 0.00 O ATOM 1118 CB ALA A 108 22.472 15.107 8.912 1.00 0.00 C ATOM 0 H ALA A 108 20.548 16.797 8.408 1.00 0.00 H new ATOM 0 HA ALA A 108 20.982 13.876 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 108 22.990 14.261 9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 108 22.960 15.372 7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 108 22.506 15.959 9.591 1.00 0.00 H new ATOM 1124 N ARG A 109 20.407 13.116 10.350 1.00 0.00 N ATOM 1125 CA ARG A 109 19.762 12.695 11.625 1.00 0.00 C ATOM 1126 C ARG A 109 20.814 12.631 12.733 1.00 0.00 C ATOM 1127 O ARG A 109 20.557 12.153 13.820 1.00 0.00 O ATOM 1128 CB ARG A 109 19.126 11.316 11.444 1.00 0.00 C ATOM 1129 CG ARG A 109 18.003 11.405 10.409 1.00 0.00 C ATOM 1130 CD ARG A 109 17.257 10.070 10.350 1.00 0.00 C ATOM 1131 NE ARG A 109 16.393 10.039 9.136 1.00 0.00 N ATOM 1132 CZ ARG A 109 15.479 9.116 9.010 1.00 0.00 C ATOM 1133 NH1 ARG A 109 15.493 8.073 9.793 1.00 0.00 N ATOM 1134 NH2 ARG A 109 14.551 9.238 8.100 1.00 0.00 N ATOM 0 H ARG A 109 20.888 12.374 9.841 1.00 0.00 H new ATOM 0 HA ARG A 109 18.992 13.417 11.898 1.00 0.00 H new ATOM 0 HB2 ARG A 109 19.878 10.597 11.120 1.00 0.00 H new ATOM 0 HB3 ARG A 109 18.731 10.958 12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 109 17.314 12.208 10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 109 18.415 11.647 9.429 1.00 0.00 H new ATOM 0 HD2 ARG A 109 17.968 9.244 10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 109 16.649 9.940 11.246 1.00 0.00 H new ATOM 0 HE ARG A 109 16.516 10.739 8.404 1.00 0.00 H new ATOM 0 HH11 ARG A 109 16.218 7.979 10.504 1.00 0.00 H new ATOM 0 HH12 ARG A 109 14.779 7.352 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 109 14.541 10.054 7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.836 8.517 8.001 1.00 0.00 H new ATOM 1148 N LYS A 110 21.999 13.110 12.468 1.00 0.00 N ATOM 1149 CA LYS A 110 23.065 13.077 13.508 1.00 0.00 C ATOM 1150 C LYS A 110 22.925 14.300 14.416 1.00 0.00 C ATOM 1151 O LYS A 110 22.141 15.191 14.156 1.00 0.00 O ATOM 1152 CB LYS A 110 24.437 13.098 12.833 1.00 0.00 C ATOM 1153 CG LYS A 110 24.603 11.841 11.976 1.00 0.00 C ATOM 1154 CD LYS A 110 26.007 11.821 11.367 1.00 0.00 C ATOM 1155 CE LYS A 110 26.168 10.572 10.500 1.00 0.00 C ATOM 1156 NZ LYS A 110 27.369 10.722 9.630 1.00 0.00 N ATOM 0 H LYS A 110 22.274 13.522 11.577 1.00 0.00 H new ATOM 0 HA LYS A 110 22.967 12.168 14.102 1.00 0.00 H new ATOM 0 HB2 LYS A 110 24.536 13.989 12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 110 25.224 13.144 13.586 1.00 0.00 H new ATOM 0 HG2 LYS A 110 24.446 10.950 12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 110 23.852 11.825 11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 110 26.168 12.717 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 110 26.758 11.828 12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 110 26.271 9.689 11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 110 25.278 10.424 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 27.479 9.872 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 27.253 11.555 9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 28.215 10.843 10.223 1.00 0.00 H new ATOM 1170 N GLN A 111 23.680 14.350 15.478 1.00 0.00 N ATOM 1171 CA GLN A 111 23.590 15.517 16.400 1.00 0.00 C ATOM 1172 C GLN A 111 22.318 15.406 17.244 1.00 0.00 C ATOM 1173 O GLN A 111 21.578 16.357 17.398 1.00 0.00 O ATOM 1174 CB GLN A 111 23.548 16.808 15.579 1.00 0.00 C ATOM 1175 CG GLN A 111 23.984 17.988 16.450 1.00 0.00 C ATOM 1176 CD GLN A 111 25.343 17.682 17.085 1.00 0.00 C ATOM 1177 OE1 GLN A 111 25.412 17.106 18.153 1.00 0.00 O ATOM 1178 NE2 GLN A 111 26.434 18.047 16.469 1.00 0.00 N ATOM 0 H GLN A 111 24.355 13.634 15.747 1.00 0.00 H new ATOM 0 HA GLN A 111 24.459 15.530 17.058 1.00 0.00 H new ATOM 0 HB2 GLN A 111 24.204 16.721 14.713 1.00 0.00 H new ATOM 0 HB3 GLN A 111 22.540 16.976 15.200 1.00 0.00 H new ATOM 0 HG2 GLN A 111 24.048 18.894 15.847 1.00 0.00 H new ATOM 0 HG3 GLN A 111 23.242 18.174 17.226 1.00 0.00 H new ATOM 0 HE21 GLN A 111 26.376 18.530 15.573 1.00 0.00 H new ATOM 0 HE22 GLN A 111 27.345 17.849 16.884 1.00 0.00 H new ATOM 1187 N PRO A 112 22.066 14.212 17.801 1.00 0.00 N ATOM 1188 CA PRO A 112 20.885 13.959 18.635 1.00 0.00 C ATOM 1189 C PRO A 112 21.010 14.625 20.008 1.00 0.00 C ATOM 1190 O PRO A 112 20.034 14.821 20.705 1.00 0.00 O ATOM 1191 CB PRO A 112 20.880 12.440 18.797 1.00 0.00 C ATOM 1192 CG PRO A 112 22.304 12.033 18.615 1.00 0.00 C ATOM 1193 CD PRO A 112 22.915 13.018 17.658 1.00 0.00 C ATOM 0 HA PRO A 112 19.975 14.358 18.187 1.00 0.00 H new ATOM 0 HB2 PRO A 112 20.507 12.148 19.779 1.00 0.00 H new ATOM 0 HB3 PRO A 112 20.235 11.965 18.057 1.00 0.00 H new ATOM 0 HG2 PRO A 112 22.833 12.040 19.568 1.00 0.00 H new ATOM 0 HG3 PRO A 112 22.369 11.019 18.221 1.00 0.00 H new ATOM 0 HD2 PRO A 112 23.953 13.232 17.911 1.00 0.00 H new ATOM 0 HD3 PRO A 112 22.908 12.641 16.635 1.00 0.00 H new ATOM 1201 N MET A 113 22.205 14.972 20.402 1.00 0.00 N ATOM 1202 CA MET A 113 22.394 15.621 21.730 1.00 0.00 C ATOM 1203 C MET A 113 21.310 16.679 21.943 1.00 0.00 C ATOM 1204 O MET A 113 20.946 16.991 23.059 1.00 0.00 O ATOM 1205 CB MET A 113 23.773 16.285 21.786 1.00 0.00 C ATOM 1206 CG MET A 113 24.173 16.761 20.388 1.00 0.00 C ATOM 1207 SD MET A 113 24.850 18.436 20.491 1.00 0.00 S ATOM 1208 CE MET A 113 23.770 19.191 19.252 1.00 0.00 C ATOM 0 H MET A 113 23.059 14.834 19.861 1.00 0.00 H new ATOM 0 HA MET A 113 22.323 14.866 22.513 1.00 0.00 H new ATOM 0 HB2 MET A 113 23.753 17.128 22.476 1.00 0.00 H new ATOM 0 HB3 MET A 113 24.512 15.579 22.166 1.00 0.00 H new ATOM 0 HG2 MET A 113 24.912 16.084 19.960 1.00 0.00 H new ATOM 0 HG3 MET A 113 23.307 16.747 19.726 1.00 0.00 H new ATOM 0 HE1 MET A 113 24.377 19.658 18.476 1.00 0.00 H new ATOM 0 HE2 MET A 113 23.137 18.424 18.805 1.00 0.00 H new ATOM 0 HE3 MET A 113 23.144 19.947 19.727 1.00 0.00 H new ATOM 1218 N LEU A 114 20.789 17.234 20.883 1.00 0.00 N ATOM 1219 CA LEU A 114 19.729 18.270 21.034 1.00 0.00 C ATOM 1220 C LEU A 114 18.877 18.323 19.767 1.00 0.00 C ATOM 1221 O LEU A 114 18.200 19.297 19.506 1.00 0.00 O ATOM 1222 CB LEU A 114 20.381 19.635 21.268 1.00 0.00 C ATOM 1223 CG LEU A 114 19.533 20.451 22.248 1.00 0.00 C ATOM 1224 CD1 LEU A 114 18.179 20.769 21.611 1.00 0.00 C ATOM 1225 CD2 LEU A 114 19.317 19.647 23.532 1.00 0.00 C ATOM 0 H LEU A 114 21.051 17.016 19.922 1.00 0.00 H new ATOM 0 HA LEU A 114 19.095 18.017 21.884 1.00 0.00 H new ATOM 0 HB2 LEU A 114 21.388 19.505 21.665 1.00 0.00 H new ATOM 0 HB3 LEU A 114 20.477 20.170 20.323 1.00 0.00 H new ATOM 0 HG LEU A 114 20.050 21.381 22.486 1.00 0.00 H new ATOM 0 HD11 LEU A 114 17.576 21.350 22.309 1.00 0.00 H new ATOM 0 HD12 LEU A 114 18.333 21.345 20.698 1.00 0.00 H new ATOM 0 HD13 LEU A 114 17.662 19.840 21.371 1.00 0.00 H new ATOM 0 HD21 LEU A 114 18.713 20.229 24.228 1.00 0.00 H new ATOM 0 HD22 LEU A 114 18.802 18.716 23.296 1.00 0.00 H new ATOM 0 HD23 LEU A 114 20.282 19.423 23.987 1.00 0.00 H new ATOM 1237 N ASP A 115 18.905 17.280 18.984 1.00 0.00 N ATOM 1238 CA ASP A 115 18.098 17.259 17.729 1.00 0.00 C ATOM 1239 C ASP A 115 18.159 18.633 17.060 1.00 0.00 C ATOM 1240 O ASP A 115 17.152 19.188 16.667 1.00 0.00 O ATOM 1241 CB ASP A 115 16.644 16.920 18.064 1.00 0.00 C ATOM 1242 CG ASP A 115 16.575 15.522 18.682 1.00 0.00 C ATOM 1243 OD1 ASP A 115 17.538 14.786 18.543 1.00 0.00 O ATOM 1244 OD2 ASP A 115 15.561 15.211 19.285 1.00 0.00 O ATOM 0 H ASP A 115 19.454 16.438 19.159 1.00 0.00 H new ATOM 0 HA ASP A 115 18.501 16.506 17.051 1.00 0.00 H new ATOM 0 HB2 ASP A 115 16.238 17.656 18.758 1.00 0.00 H new ATOM 0 HB3 ASP A 115 16.033 16.961 17.162 1.00 0.00 H new ATOM 1249 N ALA A 116 19.334 19.191 16.940 1.00 0.00 N ATOM 1250 CA ALA A 116 19.464 20.535 16.307 1.00 0.00 C ATOM 1251 C ALA A 116 19.052 21.608 17.310 1.00 0.00 C ATOM 1252 O ALA A 116 19.880 22.289 17.882 1.00 0.00 O ATOM 1253 CB ALA A 116 18.557 20.619 15.082 1.00 0.00 C ATOM 0 H ALA A 116 20.210 18.773 17.253 1.00 0.00 H new ATOM 0 HA ALA A 116 20.499 20.690 16.003 1.00 0.00 H new ATOM 0 HB1 ALA A 116 18.656 21.603 14.623 1.00 0.00 H new ATOM 0 HB2 ALA A 116 18.845 19.852 14.363 1.00 0.00 H new ATOM 0 HB3 ALA A 116 17.522 20.462 15.384 1.00 0.00 H new ATOM 1259 N ALA A 117 17.777 21.767 17.527 1.00 0.00 N ATOM 1260 CA ALA A 117 17.316 22.799 18.491 1.00 0.00 C ATOM 1261 C ALA A 117 15.846 22.556 18.838 1.00 0.00 C ATOM 1262 O ALA A 117 15.380 21.434 18.858 1.00 0.00 O ATOM 1263 CB ALA A 117 17.475 24.183 17.861 1.00 0.00 C ATOM 0 H ALA A 117 17.037 21.227 17.079 1.00 0.00 H new ATOM 0 HA ALA A 117 17.913 22.743 19.401 1.00 0.00 H new ATOM 0 HB1 ALA A 117 17.138 24.944 18.565 1.00 0.00 H new ATOM 0 HB2 ALA A 117 18.524 24.353 17.617 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.877 24.240 16.951 1.00 0.00 H new ATOM 1269 N THR A 118 15.110 23.599 19.112 1.00 0.00 N ATOM 1270 CA THR A 118 13.671 23.425 19.457 1.00 0.00 C ATOM 1271 C THR A 118 12.821 24.335 18.568 1.00 0.00 C ATOM 1272 O THR A 118 13.285 25.340 18.068 1.00 0.00 O ATOM 1273 CB THR A 118 13.451 23.796 20.925 1.00 0.00 C ATOM 1274 OG1 THR A 118 12.138 23.418 21.315 1.00 0.00 O ATOM 1275 CG2 THR A 118 13.625 25.305 21.103 1.00 0.00 C ATOM 0 H THR A 118 15.443 24.563 19.112 1.00 0.00 H new ATOM 0 HA THR A 118 13.381 22.387 19.297 1.00 0.00 H new ATOM 0 HB THR A 118 14.179 23.274 21.546 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.996 23.653 22.256 1.00 0.00 H new ATOM 0 HG21 THR A 118 13.468 25.568 22.149 1.00 0.00 H new ATOM 0 HG22 THR A 118 14.633 25.593 20.803 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.898 25.831 20.484 1.00 0.00 H new ATOM 1283 N GLY A 119 11.579 23.991 18.367 1.00 0.00 N ATOM 1284 CA GLY A 119 10.701 24.837 17.511 1.00 0.00 C ATOM 1285 C GLY A 119 9.384 24.103 17.248 1.00 0.00 C ATOM 1286 O GLY A 119 9.143 23.034 17.773 1.00 0.00 O ATOM 0 H GLY A 119 11.134 23.161 18.758 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.506 25.791 18.002 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.200 25.060 16.568 1.00 0.00 H new ATOM 1290 N LYS A 120 8.531 24.668 16.438 1.00 0.00 N ATOM 1291 CA LYS A 120 7.232 24.002 16.142 1.00 0.00 C ATOM 1292 C LYS A 120 7.491 22.607 15.570 1.00 0.00 C ATOM 1293 O LYS A 120 6.756 21.674 15.825 1.00 0.00 O ATOM 1294 CB LYS A 120 6.453 24.835 15.122 1.00 0.00 C ATOM 1295 CG LYS A 120 6.137 26.208 15.719 1.00 0.00 C ATOM 1296 CD LYS A 120 5.169 26.954 14.799 1.00 0.00 C ATOM 1297 CE LYS A 120 5.848 27.219 13.453 1.00 0.00 C ATOM 1298 NZ LYS A 120 4.900 26.902 12.348 1.00 0.00 N ATOM 0 H LYS A 120 8.678 25.562 15.969 1.00 0.00 H new ATOM 0 HA LYS A 120 6.651 23.915 17.060 1.00 0.00 H new ATOM 0 HB2 LYS A 120 7.036 24.949 14.208 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.530 24.324 14.849 1.00 0.00 H new ATOM 0 HG2 LYS A 120 5.698 26.093 16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.055 26.783 15.842 1.00 0.00 H new ATOM 0 HD2 LYS A 120 4.263 26.366 14.652 1.00 0.00 H new ATOM 0 HD3 LYS A 120 4.867 27.895 15.258 1.00 0.00 H new ATOM 0 HE2 LYS A 120 6.161 28.261 13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 120 6.747 26.610 13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 5.361 27.082 11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 4.622 25.901 12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 4.054 27.501 12.433 1.00 0.00 H new ATOM 1312 N SER A 121 8.532 22.456 14.797 1.00 0.00 N ATOM 1313 CA SER A 121 8.836 21.121 14.209 1.00 0.00 C ATOM 1314 C SER A 121 7.645 20.649 13.372 1.00 0.00 C ATOM 1315 O SER A 121 6.712 21.420 13.218 1.00 0.00 O ATOM 1316 CB SER A 121 9.100 20.117 15.333 1.00 0.00 C ATOM 1317 OG SER A 121 8.620 18.838 14.947 1.00 0.00 O ATOM 1318 OXT SER A 121 7.686 19.525 12.901 1.00 0.00 O ATOM 0 H SER A 121 9.185 23.199 14.548 1.00 0.00 H new ATOM 0 HA SER A 121 9.719 21.196 13.574 1.00 0.00 H new ATOM 0 HB2 SER A 121 10.168 20.067 15.547 1.00 0.00 H new ATOM 0 HB3 SER A 121 8.606 20.442 16.249 1.00 0.00 H new ATOM 0 HG SER A 121 8.709 18.735 13.977 1.00 0.00 H new TER 1324 SER A 121