USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 NoAdj-H: A 107 ASNHD21 : A 107 ASN ND2 : A 2 CACA :(H bumps) USER MOD Single : A 92 LYS NZ :NH3+ 151:sc= -0.116 (180deg=-0.934) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -107:sc=-0.00129 (180deg=-0.162) USER MOD Single : A 106 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.544) USER MOD Single : A 111 TYR OH : rot -81:sc= 0.712 USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0041) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.0233 USER MOD Single : A 129 THR OG1 : rot 70:sc= -0.196! USER MOD Single : A 137 MET CE :methyl -152:sc= -2.91! (180deg=-6.5!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -3.43! C(o=-3.4!,f=-4.5!) USER MOD Single : A 144 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 150 TYR OH : rot -88:sc= 1.16 USER MOD Single : A 157 MET CE :methyl 180:sc= -2.87 (180deg=-2.87) USER MOD Single : A 158 LYS NZ :NH3+ 158:sc=-0.00577 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 58.973 10.802 15.566 1.00 0.00 N ATOM 2 CA GLY A 91 57.543 10.889 15.284 1.00 0.00 C ATOM 3 C GLY A 91 56.888 9.514 15.381 1.00 0.00 C ATOM 4 O GLY A 91 57.509 8.492 15.088 1.00 0.00 O ATOM 0 HA2 GLY A 91 57.070 11.573 15.988 1.00 0.00 H new ATOM 0 HA3 GLY A 91 57.389 11.301 14.287 1.00 0.00 H new ATOM 8 N LYS A 92 55.625 9.503 15.795 1.00 0.00 N ATOM 9 CA LYS A 92 54.889 8.248 15.928 1.00 0.00 C ATOM 10 C LYS A 92 55.746 7.198 16.628 1.00 0.00 C ATOM 11 O LYS A 92 56.676 7.525 17.365 1.00 0.00 O ATOM 12 CB LYS A 92 54.477 7.718 14.554 1.00 0.00 C ATOM 13 CG LYS A 92 54.017 8.881 13.671 1.00 0.00 C ATOM 14 CD LYS A 92 53.939 8.416 12.216 1.00 0.00 C ATOM 15 CE LYS A 92 52.720 9.047 11.539 1.00 0.00 C ATOM 16 NZ LYS A 92 52.653 10.495 11.883 1.00 0.00 N ATOM 0 H LYS A 92 55.094 10.338 16.042 1.00 0.00 H new ATOM 0 HA LYS A 92 53.997 8.445 16.523 1.00 0.00 H new ATOM 0 HB2 LYS A 92 55.315 7.202 14.086 1.00 0.00 H new ATOM 0 HB3 LYS A 92 53.674 6.989 14.660 1.00 0.00 H new ATOM 0 HG2 LYS A 92 53.042 9.240 14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 92 54.711 9.716 13.760 1.00 0.00 H new ATOM 0 HD2 LYS A 92 54.848 8.697 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 92 53.868 7.329 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 92 52.786 8.922 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 92 51.809 8.543 11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 52.191 11.015 11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 52.105 10.619 12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 53.615 10.864 12.022 1.00 0.00 H new ATOM 30 N SER A 93 55.420 5.930 16.388 1.00 0.00 N ATOM 31 CA SER A 93 56.165 4.834 17.001 1.00 0.00 C ATOM 32 C SER A 93 56.063 3.575 16.144 1.00 0.00 C ATOM 33 O SER A 93 55.254 3.501 15.219 1.00 0.00 O ATOM 34 CB SER A 93 55.619 4.531 18.396 1.00 0.00 C ATOM 35 OG SER A 93 56.637 4.766 19.360 1.00 0.00 O ATOM 0 H SER A 93 54.654 5.638 15.781 1.00 0.00 H new ATOM 0 HA SER A 93 57.209 5.138 17.078 1.00 0.00 H new ATOM 0 HB2 SER A 93 54.753 5.159 18.604 1.00 0.00 H new ATOM 0 HB3 SER A 93 55.283 3.496 18.450 1.00 0.00 H new ATOM 0 HG SER A 93 56.290 4.574 20.256 1.00 0.00 H new ATOM 41 N GLU A 94 56.894 2.587 16.464 1.00 0.00 N ATOM 42 CA GLU A 94 56.891 1.332 15.717 1.00 0.00 C ATOM 43 C GLU A 94 55.474 0.775 15.627 1.00 0.00 C ATOM 44 O GLU A 94 55.109 0.120 14.651 1.00 0.00 O ATOM 45 CB GLU A 94 57.791 0.299 16.399 1.00 0.00 C ATOM 46 CG GLU A 94 58.963 -0.047 15.478 1.00 0.00 C ATOM 47 CD GLU A 94 59.380 -1.496 15.706 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.599 -1.855 16.851 1.00 0.00 O ATOM 49 OE2 GLU A 94 59.475 -2.225 14.733 1.00 0.00 O ATOM 0 H GLU A 94 57.571 2.629 17.226 1.00 0.00 H new ATOM 0 HA GLU A 94 57.269 1.534 14.715 1.00 0.00 H new ATOM 0 HB2 GLU A 94 58.163 0.693 17.345 1.00 0.00 H new ATOM 0 HB3 GLU A 94 57.220 -0.600 16.631 1.00 0.00 H new ATOM 0 HG2 GLU A 94 58.677 0.100 14.437 1.00 0.00 H new ATOM 0 HG3 GLU A 94 59.803 0.619 15.675 1.00 0.00 H new ATOM 56 N GLU A 95 54.680 1.047 16.658 1.00 0.00 N ATOM 57 CA GLU A 95 53.300 0.573 16.691 1.00 0.00 C ATOM 58 C GLU A 95 52.547 1.041 15.450 1.00 0.00 C ATOM 59 O GLU A 95 51.728 0.312 14.890 1.00 0.00 O ATOM 60 CB GLU A 95 52.583 1.096 17.937 1.00 0.00 C ATOM 61 CG GLU A 95 52.273 -0.070 18.878 1.00 0.00 C ATOM 62 CD GLU A 95 52.996 0.139 20.204 1.00 0.00 C ATOM 63 OE1 GLU A 95 54.158 0.510 20.171 1.00 0.00 O ATOM 64 OE2 GLU A 95 52.378 -0.077 21.234 1.00 0.00 O ATOM 0 H GLU A 95 54.964 1.588 17.475 1.00 0.00 H new ATOM 0 HA GLU A 95 53.319 -0.517 16.715 1.00 0.00 H new ATOM 0 HB2 GLU A 95 53.206 1.831 18.446 1.00 0.00 H new ATOM 0 HB3 GLU A 95 51.661 1.602 17.653 1.00 0.00 H new ATOM 0 HG2 GLU A 95 51.198 -0.140 19.045 1.00 0.00 H new ATOM 0 HG3 GLU A 95 52.587 -1.010 18.425 1.00 0.00 H new ATOM 71 N GLU A 96 52.835 2.269 15.026 1.00 0.00 N ATOM 72 CA GLU A 96 52.182 2.831 13.846 1.00 0.00 C ATOM 73 C GLU A 96 52.913 2.400 12.579 1.00 0.00 C ATOM 74 O GLU A 96 52.304 2.199 11.529 1.00 0.00 O ATOM 75 CB GLU A 96 52.166 4.359 13.917 1.00 0.00 C ATOM 76 CG GLU A 96 50.721 4.850 14.032 1.00 0.00 C ATOM 77 CD GLU A 96 50.562 5.670 15.308 1.00 0.00 C ATOM 78 OE1 GLU A 96 50.984 6.815 15.309 1.00 0.00 O ATOM 79 OE2 GLU A 96 50.022 5.141 16.265 1.00 0.00 O ATOM 0 H GLU A 96 53.509 2.889 15.476 1.00 0.00 H new ATOM 0 HA GLU A 96 51.157 2.460 13.820 1.00 0.00 H new ATOM 0 HB2 GLU A 96 52.746 4.700 14.774 1.00 0.00 H new ATOM 0 HB3 GLU A 96 52.635 4.780 13.027 1.00 0.00 H new ATOM 0 HG2 GLU A 96 50.461 5.455 13.163 1.00 0.00 H new ATOM 0 HG3 GLU A 96 50.037 4.001 14.045 1.00 0.00 H new ATOM 86 N LEU A 97 54.231 2.258 12.694 1.00 0.00 N ATOM 87 CA LEU A 97 55.045 1.847 11.555 1.00 0.00 C ATOM 88 C LEU A 97 54.623 0.463 11.076 1.00 0.00 C ATOM 89 O LEU A 97 54.499 0.217 9.877 1.00 0.00 O ATOM 90 CB LEU A 97 56.527 1.817 11.940 1.00 0.00 C ATOM 91 CG LEU A 97 56.926 3.155 12.571 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.449 3.288 12.563 1.00 0.00 C ATOM 93 CD2 LEU A 97 56.314 4.309 11.771 1.00 0.00 C ATOM 0 H LEU A 97 54.753 2.420 13.555 1.00 0.00 H new ATOM 0 HA LEU A 97 54.896 2.569 10.752 1.00 0.00 H new ATOM 0 HB2 LEU A 97 56.714 1.004 12.641 1.00 0.00 H new ATOM 0 HB3 LEU A 97 57.138 1.624 11.058 1.00 0.00 H new ATOM 0 HG LEU A 97 56.559 3.191 13.597 1.00 0.00 H new ATOM 0 HD11 LEU A 97 58.733 4.240 13.012 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.889 2.471 13.135 1.00 0.00 H new ATOM 0 HD13 LEU A 97 58.812 3.248 11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 97 56.601 5.258 12.224 1.00 0.00 H new ATOM 0 HD22 LEU A 97 56.677 4.273 10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 97 55.228 4.219 11.775 1.00 0.00 H new ATOM 105 N SER A 98 54.396 -0.436 12.029 1.00 0.00 N ATOM 106 CA SER A 98 53.979 -1.793 11.693 1.00 0.00 C ATOM 107 C SER A 98 52.840 -1.753 10.680 1.00 0.00 C ATOM 108 O SER A 98 52.686 -2.656 9.858 1.00 0.00 O ATOM 109 CB SER A 98 53.508 -2.533 12.945 1.00 0.00 C ATOM 110 OG SER A 98 52.661 -3.610 12.565 1.00 0.00 O ATOM 0 H SER A 98 54.492 -0.253 13.028 1.00 0.00 H new ATOM 0 HA SER A 98 54.833 -2.318 11.265 1.00 0.00 H new ATOM 0 HB2 SER A 98 54.365 -2.909 13.503 1.00 0.00 H new ATOM 0 HB3 SER A 98 52.973 -1.850 13.605 1.00 0.00 H new ATOM 0 HG SER A 98 52.359 -4.087 13.366 1.00 0.00 H new ATOM 116 N ASP A 99 52.046 -0.688 10.750 1.00 0.00 N ATOM 117 CA ASP A 99 50.920 -0.526 9.835 1.00 0.00 C ATOM 118 C ASP A 99 51.405 0.002 8.489 1.00 0.00 C ATOM 119 O ASP A 99 50.773 -0.213 7.455 1.00 0.00 O ATOM 120 CB ASP A 99 49.895 0.450 10.415 1.00 0.00 C ATOM 121 CG ASP A 99 48.570 -0.272 10.632 1.00 0.00 C ATOM 122 OD1 ASP A 99 48.558 -1.236 11.380 1.00 0.00 O ATOM 123 OD2 ASP A 99 47.586 0.149 10.047 1.00 0.00 O ATOM 0 H ASP A 99 52.159 0.069 11.424 1.00 0.00 H new ATOM 0 HA ASP A 99 50.452 -1.501 9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.258 0.857 11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.755 1.292 9.737 1.00 0.00 H new ATOM 128 N LEU A 100 52.541 0.694 8.515 1.00 0.00 N ATOM 129 CA LEU A 100 53.113 1.249 7.291 1.00 0.00 C ATOM 130 C LEU A 100 53.511 0.124 6.338 1.00 0.00 C ATOM 131 O LEU A 100 53.439 0.269 5.118 1.00 0.00 O ATOM 132 CB LEU A 100 54.346 2.096 7.614 1.00 0.00 C ATOM 133 CG LEU A 100 54.217 3.464 6.943 1.00 0.00 C ATOM 134 CD1 LEU A 100 55.065 4.487 7.700 1.00 0.00 C ATOM 135 CD2 LEU A 100 54.705 3.370 5.495 1.00 0.00 C ATOM 0 H LEU A 100 53.079 0.883 9.361 1.00 0.00 H new ATOM 0 HA LEU A 100 52.360 1.878 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.445 2.216 8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.248 1.592 7.266 1.00 0.00 H new ATOM 0 HG LEU A 100 53.173 3.777 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 100 54.973 5.462 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.719 4.555 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 100 56.109 4.174 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 100 54.613 4.345 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 100 55.749 3.056 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 100 54.101 2.642 4.954 1.00 0.00 H new ATOM 147 N PHE A 101 53.931 -0.999 6.914 1.00 0.00 N ATOM 148 CA PHE A 101 54.338 -2.153 6.115 1.00 0.00 C ATOM 149 C PHE A 101 53.120 -2.823 5.485 1.00 0.00 C ATOM 150 O PHE A 101 53.163 -3.270 4.338 1.00 0.00 O ATOM 151 CB PHE A 101 55.071 -3.173 6.989 1.00 0.00 C ATOM 152 CG PHE A 101 56.044 -3.959 6.141 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.573 -4.755 5.090 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.417 -3.891 6.408 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.475 -5.483 4.305 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.319 -4.620 5.623 1.00 0.00 C ATOM 157 CZ PHE A 101 57.848 -5.416 4.572 1.00 0.00 C ATOM 0 H PHE A 101 53.999 -1.135 7.923 1.00 0.00 H new ATOM 0 HA PHE A 101 55.005 -1.800 5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 101 55.602 -2.663 7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.354 -3.847 7.458 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.514 -4.807 4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 101 57.780 -3.277 7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.112 -6.096 3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.378 -4.568 5.828 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.544 -5.978 3.967 1.00 0.00 H new ATOM 167 N ARG A 102 52.034 -2.892 6.251 1.00 0.00 N ATOM 168 CA ARG A 102 50.805 -3.514 5.765 1.00 0.00 C ATOM 169 C ARG A 102 50.228 -2.717 4.598 1.00 0.00 C ATOM 170 O ARG A 102 49.917 -3.269 3.543 1.00 0.00 O ATOM 171 CB ARG A 102 49.765 -3.586 6.887 1.00 0.00 C ATOM 172 CG ARG A 102 48.407 -3.987 6.306 1.00 0.00 C ATOM 173 CD ARG A 102 47.434 -4.295 7.446 1.00 0.00 C ATOM 174 NE ARG A 102 46.173 -3.581 7.257 1.00 0.00 N ATOM 175 CZ ARG A 102 45.297 -3.463 8.251 1.00 0.00 C ATOM 176 NH1 ARG A 102 45.559 -3.987 9.417 1.00 0.00 N ATOM 177 NH2 ARG A 102 44.176 -2.823 8.061 1.00 0.00 N ATOM 0 H ARG A 102 51.979 -2.528 7.202 1.00 0.00 H new ATOM 0 HA ARG A 102 51.046 -4.522 5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.077 -4.310 7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 102 49.687 -2.620 7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.013 -3.182 5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 102 48.518 -4.860 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 102 47.247 -5.368 7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 102 47.880 -4.009 8.399 1.00 0.00 H new ATOM 0 HE ARG A 102 45.961 -3.167 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 102 46.435 -4.487 9.566 1.00 0.00 H new ATOM 0 HH12 ARG A 102 44.887 -3.897 10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 102 43.971 -2.413 7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 102 43.505 -2.733 8.824 1.00 0.00 H new ATOM 191 N MET A 103 50.084 -1.412 4.806 1.00 0.00 N ATOM 192 CA MET A 103 49.538 -0.539 3.771 1.00 0.00 C ATOM 193 C MET A 103 50.293 -0.719 2.458 1.00 0.00 C ATOM 194 O MET A 103 49.717 -0.615 1.375 1.00 0.00 O ATOM 195 CB MET A 103 49.635 0.924 4.204 1.00 0.00 C ATOM 196 CG MET A 103 51.081 1.255 4.581 1.00 0.00 C ATOM 197 SD MET A 103 51.351 3.038 4.431 1.00 0.00 S ATOM 198 CE MET A 103 51.605 3.078 2.640 1.00 0.00 C ATOM 0 H MET A 103 50.335 -0.938 5.674 1.00 0.00 H new ATOM 0 HA MET A 103 48.492 -0.809 3.624 1.00 0.00 H new ATOM 0 HB2 MET A 103 49.301 1.575 3.396 1.00 0.00 H new ATOM 0 HB3 MET A 103 48.977 1.106 5.053 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.286 0.930 5.601 1.00 0.00 H new ATOM 0 HG3 MET A 103 51.770 0.716 3.931 1.00 0.00 H new ATOM 0 HE1 MET A 103 52.660 3.249 2.426 1.00 0.00 H new ATOM 0 HE2 MET A 103 51.296 2.126 2.207 1.00 0.00 H new ATOM 0 HE3 MET A 103 51.012 3.883 2.206 1.00 0.00 H new ATOM 208 N PHE A 104 51.590 -0.986 2.566 1.00 0.00 N ATOM 209 CA PHE A 104 52.419 -1.174 1.378 1.00 0.00 C ATOM 210 C PHE A 104 52.242 -2.582 0.820 1.00 0.00 C ATOM 211 O PHE A 104 51.840 -2.763 -0.329 1.00 0.00 O ATOM 212 CB PHE A 104 53.895 -0.946 1.712 1.00 0.00 C ATOM 213 CG PHE A 104 54.582 -0.305 0.529 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.192 -0.639 -0.774 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.606 0.627 0.735 1.00 0.00 C ATOM 216 CE1 PHE A 104 54.827 -0.043 -1.870 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.242 1.223 -0.361 1.00 0.00 C ATOM 218 CZ PHE A 104 55.852 0.889 -1.664 1.00 0.00 C ATOM 0 H PHE A 104 52.087 -1.077 3.452 1.00 0.00 H new ATOM 0 HA PHE A 104 52.103 -0.448 0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 104 53.986 -0.307 2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.375 -1.894 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 104 53.401 -1.357 -0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.906 0.886 1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 104 54.526 -0.302 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 104 57.033 1.940 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.341 1.350 -2.509 1.00 0.00 H new ATOM 228 N ASP A 105 52.543 -3.579 1.648 1.00 0.00 N ATOM 229 CA ASP A 105 52.410 -4.971 1.227 1.00 0.00 C ATOM 230 C ASP A 105 50.957 -5.281 0.882 1.00 0.00 C ATOM 231 O ASP A 105 50.082 -5.267 1.748 1.00 0.00 O ATOM 232 CB ASP A 105 52.872 -5.914 2.340 1.00 0.00 C ATOM 233 CG ASP A 105 53.076 -7.314 1.771 1.00 0.00 C ATOM 234 OD1 ASP A 105 52.480 -7.610 0.749 1.00 0.00 O ATOM 235 OD2 ASP A 105 53.826 -8.069 2.367 1.00 0.00 O ATOM 0 H ASP A 105 52.877 -3.452 2.603 1.00 0.00 H new ATOM 0 HA ASP A 105 53.034 -5.120 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 105 53.801 -5.549 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 105 52.132 -5.940 3.140 1.00 0.00 H new ATOM 240 N LYS A 106 50.710 -5.559 -0.396 1.00 0.00 N ATOM 241 CA LYS A 106 49.356 -5.870 -0.850 1.00 0.00 C ATOM 242 C LYS A 106 49.259 -7.324 -1.305 1.00 0.00 C ATOM 243 O LYS A 106 48.237 -7.753 -1.841 1.00 0.00 O ATOM 244 CB LYS A 106 48.949 -4.955 -2.010 1.00 0.00 C ATOM 245 CG LYS A 106 50.197 -4.483 -2.761 1.00 0.00 C ATOM 246 CD LYS A 106 49.778 -3.633 -3.963 1.00 0.00 C ATOM 247 CE LYS A 106 49.602 -4.532 -5.188 1.00 0.00 C ATOM 248 NZ LYS A 106 48.336 -4.177 -5.888 1.00 0.00 N ATOM 0 H LYS A 106 51.420 -5.576 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 106 48.681 -5.709 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 106 48.284 -5.488 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 106 48.395 -4.096 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.836 -3.902 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.780 -5.341 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 106 48.846 -3.111 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 106 50.531 -2.871 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 106 50.449 -4.414 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 106 49.581 -5.579 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 48.412 -4.432 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 47.544 -4.696 -5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 48.167 -3.154 -5.802 1.00 0.00 H new ATOM 262 N ASN A 107 50.330 -8.080 -1.079 1.00 0.00 N ATOM 263 CA ASN A 107 50.351 -9.490 -1.466 1.00 0.00 C ATOM 264 C ASN A 107 50.491 -10.375 -0.230 1.00 0.00 C ATOM 265 O ASN A 107 50.295 -11.589 -0.292 1.00 0.00 O ATOM 266 CB ASN A 107 51.510 -9.786 -2.426 1.00 0.00 C ATOM 267 CG ASN A 107 52.573 -8.696 -2.322 1.00 0.00 C ATOM 268 OD1 ASN A 107 52.600 -7.768 -3.130 1.00 0.00 O ATOM 269 ND2 ASN A 107 53.459 -8.753 -1.366 1.00 0.00 N ATOM 0 H ASN A 107 51.186 -7.746 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 107 49.410 -9.706 -1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 107 51.949 -10.755 -2.190 1.00 0.00 H new ATOM 0 HB3 ASN A 107 51.138 -9.845 -3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 107 53.437 -9.522 -0.696 1.00 0.00 H new ATOM 276 N ALA A 108 50.832 -9.750 0.895 1.00 0.00 N ATOM 277 CA ALA A 108 50.994 -10.487 2.146 1.00 0.00 C ATOM 278 C ALA A 108 52.212 -11.401 2.073 1.00 0.00 C ATOM 279 O ALA A 108 52.102 -12.618 2.221 1.00 0.00 O ATOM 280 CB ALA A 108 49.752 -11.331 2.435 1.00 0.00 C ATOM 0 H ALA A 108 51.000 -8.746 0.966 1.00 0.00 H new ATOM 0 HA ALA A 108 51.133 -9.762 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 108 49.890 -11.873 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.881 -10.681 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 108 49.598 -12.042 1.623 1.00 0.00 H new ATOM 286 N ASP A 109 53.375 -10.799 1.843 1.00 0.00 N ATOM 287 CA ASP A 109 54.612 -11.568 1.752 1.00 0.00 C ATOM 288 C ASP A 109 55.594 -11.134 2.837 1.00 0.00 C ATOM 289 O ASP A 109 56.579 -11.820 3.112 1.00 0.00 O ATOM 290 CB ASP A 109 55.264 -11.377 0.381 1.00 0.00 C ATOM 291 CG ASP A 109 55.637 -9.910 0.195 1.00 0.00 C ATOM 292 OD1 ASP A 109 55.548 -9.170 1.160 1.00 0.00 O ATOM 293 OD2 ASP A 109 56.007 -9.549 -0.910 1.00 0.00 O ATOM 0 H ASP A 109 53.487 -9.793 1.717 1.00 0.00 H new ATOM 0 HA ASP A 109 54.363 -12.620 1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 109 56.153 -12.002 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 109 54.579 -11.692 -0.406 1.00 0.00 H new ATOM 298 N GLY A 110 55.312 -9.989 3.454 1.00 0.00 N ATOM 299 CA GLY A 110 56.175 -9.473 4.514 1.00 0.00 C ATOM 300 C GLY A 110 57.350 -8.690 3.934 1.00 0.00 C ATOM 301 O GLY A 110 58.098 -8.039 4.663 1.00 0.00 O ATOM 0 H GLY A 110 54.502 -9.406 3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.597 -8.829 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.548 -10.300 5.118 1.00 0.00 H new ATOM 305 N TYR A 111 57.507 -8.763 2.615 1.00 0.00 N ATOM 306 CA TYR A 111 58.600 -8.057 1.951 1.00 0.00 C ATOM 307 C TYR A 111 58.100 -7.352 0.696 1.00 0.00 C ATOM 308 O TYR A 111 57.618 -7.989 -0.241 1.00 0.00 O ATOM 309 CB TYR A 111 59.709 -9.035 1.561 1.00 0.00 C ATOM 310 CG TYR A 111 60.438 -9.491 2.800 1.00 0.00 C ATOM 311 CD1 TYR A 111 59.776 -10.275 3.752 1.00 0.00 C ATOM 312 CD2 TYR A 111 61.775 -9.129 2.997 1.00 0.00 C ATOM 313 CE1 TYR A 111 60.452 -10.697 4.903 1.00 0.00 C ATOM 314 CE2 TYR A 111 62.452 -9.551 4.147 1.00 0.00 C ATOM 315 CZ TYR A 111 61.791 -10.335 5.100 1.00 0.00 C ATOM 316 OH TYR A 111 62.458 -10.750 6.234 1.00 0.00 O ATOM 0 H TYR A 111 56.901 -9.296 1.992 1.00 0.00 H new ATOM 0 HA TYR A 111 58.993 -7.318 2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 111 59.285 -9.893 1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 111 60.405 -8.556 0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 111 58.744 -10.554 3.599 1.00 0.00 H new ATOM 0 HD2 TYR A 111 62.285 -8.524 2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 111 59.942 -11.301 5.639 1.00 0.00 H new ATOM 0 HE2 TYR A 111 63.484 -9.272 4.299 1.00 0.00 H new ATOM 0 HH TYR A 111 62.228 -10.161 6.983 1.00 0.00 H new ATOM 326 N ILE A 112 58.226 -6.028 0.684 1.00 0.00 N ATOM 327 CA ILE A 112 57.788 -5.245 -0.467 1.00 0.00 C ATOM 328 C ILE A 112 58.740 -5.457 -1.640 1.00 0.00 C ATOM 329 O ILE A 112 59.880 -5.887 -1.467 1.00 0.00 O ATOM 330 CB ILE A 112 57.740 -3.752 -0.120 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.515 -3.477 0.756 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.642 -2.919 -1.404 1.00 0.00 C ATOM 333 CD1 ILE A 112 56.967 -2.928 2.111 1.00 0.00 C ATOM 0 H ILE A 112 58.623 -5.481 1.448 1.00 0.00 H new ATOM 0 HA ILE A 112 56.788 -5.579 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 112 58.649 -3.478 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.856 -2.762 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.942 -4.394 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.608 -1.860 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.512 -3.114 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.736 -3.191 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.094 -2.733 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.608 -3.659 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.521 -2.001 1.962 1.00 0.00 H new ATOM 345 N ASP A 113 58.253 -5.141 -2.834 1.00 0.00 N ATOM 346 CA ASP A 113 59.057 -5.286 -4.043 1.00 0.00 C ATOM 347 C ASP A 113 58.592 -4.287 -5.094 1.00 0.00 C ATOM 348 O ASP A 113 57.635 -3.542 -4.880 1.00 0.00 O ATOM 349 CB ASP A 113 58.938 -6.703 -4.611 1.00 0.00 C ATOM 350 CG ASP A 113 57.575 -7.287 -4.255 1.00 0.00 C ATOM 351 OD1 ASP A 113 57.304 -7.430 -3.074 1.00 0.00 O ATOM 352 OD2 ASP A 113 56.823 -7.584 -5.169 1.00 0.00 O ATOM 0 H ASP A 113 57.310 -4.784 -2.992 1.00 0.00 H new ATOM 0 HA ASP A 113 60.099 -5.096 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 113 59.064 -6.683 -5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 113 59.731 -7.334 -4.209 1.00 0.00 H new ATOM 357 N LEU A 114 59.277 -4.272 -6.231 1.00 0.00 N ATOM 358 CA LEU A 114 58.920 -3.353 -7.301 1.00 0.00 C ATOM 359 C LEU A 114 57.462 -3.551 -7.707 1.00 0.00 C ATOM 360 O LEU A 114 56.694 -2.594 -7.801 1.00 0.00 O ATOM 361 CB LEU A 114 59.815 -3.580 -8.519 1.00 0.00 C ATOM 362 CG LEU A 114 61.257 -3.203 -8.172 1.00 0.00 C ATOM 363 CD1 LEU A 114 61.999 -4.438 -7.658 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.959 -2.673 -9.424 1.00 0.00 C ATOM 0 H LEU A 114 60.072 -4.878 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 114 59.059 -2.336 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 114 59.766 -4.624 -8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 114 59.463 -2.980 -9.359 1.00 0.00 H new ATOM 0 HG LEU A 114 61.255 -2.433 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 114 63.026 -4.169 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 114 61.499 -4.818 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 114 62.001 -5.208 -8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 114 62.986 -2.404 -9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 114 61.960 -3.444 -10.195 1.00 0.00 H new ATOM 0 HD23 LEU A 114 61.431 -1.793 -9.792 1.00 0.00 H new ATOM 376 N GLU A 115 57.092 -4.806 -7.944 1.00 0.00 N ATOM 377 CA GLU A 115 55.723 -5.125 -8.339 1.00 0.00 C ATOM 378 C GLU A 115 54.726 -4.360 -7.474 1.00 0.00 C ATOM 379 O GLU A 115 53.612 -4.061 -7.903 1.00 0.00 O ATOM 380 CB GLU A 115 55.460 -6.626 -8.196 1.00 0.00 C ATOM 381 CG GLU A 115 56.342 -7.394 -9.182 1.00 0.00 C ATOM 382 CD GLU A 115 56.065 -6.908 -10.600 1.00 0.00 C ATOM 383 OE1 GLU A 115 54.991 -7.193 -11.104 1.00 0.00 O ATOM 384 OE2 GLU A 115 56.930 -6.256 -11.161 1.00 0.00 O ATOM 0 H GLU A 115 57.713 -5.612 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 115 55.597 -4.833 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 115 55.671 -6.948 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.409 -6.842 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 115 57.394 -7.248 -8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 115 56.143 -8.463 -9.108 1.00 0.00 H new ATOM 391 N GLU A 116 55.141 -4.046 -6.250 1.00 0.00 N ATOM 392 CA GLU A 116 54.277 -3.314 -5.328 1.00 0.00 C ATOM 393 C GLU A 116 54.615 -1.826 -5.350 1.00 0.00 C ATOM 394 O GLU A 116 53.729 -0.972 -5.311 1.00 0.00 O ATOM 395 CB GLU A 116 54.447 -3.839 -3.901 1.00 0.00 C ATOM 396 CG GLU A 116 54.040 -5.314 -3.843 1.00 0.00 C ATOM 397 CD GLU A 116 54.626 -5.955 -2.590 1.00 0.00 C ATOM 398 OE1 GLU A 116 54.843 -5.238 -1.627 1.00 0.00 O ATOM 399 OE2 GLU A 116 54.850 -7.155 -2.610 1.00 0.00 O ATOM 0 H GLU A 116 56.060 -4.284 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 116 53.245 -3.460 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.483 -3.725 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.835 -3.255 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 116 52.954 -5.402 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.396 -5.836 -4.731 1.00 0.00 H new ATOM 406 N LEU A 117 55.910 -1.528 -5.411 1.00 0.00 N ATOM 407 CA LEU A 117 56.365 -0.141 -5.435 1.00 0.00 C ATOM 408 C LEU A 117 55.660 0.638 -6.541 1.00 0.00 C ATOM 409 O LEU A 117 54.796 1.474 -6.278 1.00 0.00 O ATOM 410 CB LEU A 117 57.875 -0.081 -5.673 1.00 0.00 C ATOM 411 CG LEU A 117 58.560 0.549 -4.459 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.208 -0.549 -3.612 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.636 1.528 -4.933 1.00 0.00 C ATOM 0 H LEU A 117 56.657 -2.222 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 117 56.127 0.306 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.267 -1.084 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.090 0.503 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 117 57.821 1.082 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.696 -0.101 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.443 -1.248 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 117 59.947 -1.081 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 117 60.125 1.978 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.375 0.995 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 117 59.176 2.310 -5.537 1.00 0.00 H new ATOM 425 N LYS A 118 56.046 0.355 -7.782 1.00 0.00 N ATOM 426 CA LYS A 118 55.454 1.032 -8.933 1.00 0.00 C ATOM 427 C LYS A 118 53.970 1.301 -8.701 1.00 0.00 C ATOM 428 O LYS A 118 53.492 2.421 -8.879 1.00 0.00 O ATOM 429 CB LYS A 118 55.610 0.179 -10.193 1.00 0.00 C ATOM 430 CG LYS A 118 56.962 0.472 -10.848 1.00 0.00 C ATOM 431 CD LYS A 118 57.262 -0.596 -11.902 1.00 0.00 C ATOM 432 CE LYS A 118 58.535 -1.350 -11.516 1.00 0.00 C ATOM 433 NZ LYS A 118 59.067 -2.069 -12.709 1.00 0.00 N ATOM 0 H LYS A 118 56.761 -0.334 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 118 55.976 1.980 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 118 55.539 -0.879 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.802 0.394 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 118 56.948 1.459 -11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.748 0.484 -10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.425 -1.290 -11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 118 57.384 -0.132 -12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 118 59.282 -0.653 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.322 -2.059 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 59.873 -2.663 -12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 58.320 -2.669 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 59.379 -1.378 -13.420 1.00 0.00 H new ATOM 447 N ILE A 119 53.246 0.258 -8.306 1.00 0.00 N ATOM 448 CA ILE A 119 51.812 0.389 -8.058 1.00 0.00 C ATOM 449 C ILE A 119 51.544 1.455 -7.000 1.00 0.00 C ATOM 450 O ILE A 119 50.616 2.254 -7.124 1.00 0.00 O ATOM 451 CB ILE A 119 51.225 -0.941 -7.581 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.421 -2.002 -8.666 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.730 -0.770 -7.303 1.00 0.00 C ATOM 454 CD1 ILE A 119 50.749 -3.306 -8.234 1.00 0.00 C ATOM 0 H ILE A 119 53.622 -0.678 -8.152 1.00 0.00 H new ATOM 0 HA ILE A 119 51.338 0.681 -8.995 1.00 0.00 H new ATOM 0 HB ILE A 119 51.731 -1.254 -6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 119 50.996 -1.656 -9.608 1.00 0.00 H new ATOM 0 HG13 ILE A 119 52.484 -2.169 -8.838 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.312 -1.718 -6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.588 -0.013 -6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.224 -0.457 -8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 119 50.889 -4.061 -9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 119 51.195 -3.654 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 119 49.683 -3.134 -8.084 1.00 0.00 H new ATOM 466 N MET A 120 52.365 1.456 -5.956 1.00 0.00 N ATOM 467 CA MET A 120 52.207 2.425 -4.875 1.00 0.00 C ATOM 468 C MET A 120 52.657 3.814 -5.319 1.00 0.00 C ATOM 469 O MET A 120 52.562 4.780 -4.561 1.00 0.00 O ATOM 470 CB MET A 120 53.030 2.002 -3.657 1.00 0.00 C ATOM 471 CG MET A 120 52.133 1.967 -2.419 1.00 0.00 C ATOM 472 SD MET A 120 51.261 0.382 -2.352 1.00 0.00 S ATOM 473 CE MET A 120 49.655 1.030 -1.827 1.00 0.00 C ATOM 0 H MET A 120 53.140 0.804 -5.834 1.00 0.00 H new ATOM 0 HA MET A 120 51.150 2.459 -4.611 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.471 1.020 -3.827 1.00 0.00 H new ATOM 0 HB3 MET A 120 53.854 2.699 -3.502 1.00 0.00 H new ATOM 0 HG2 MET A 120 52.732 2.103 -1.519 1.00 0.00 H new ATOM 0 HG3 MET A 120 51.416 2.788 -2.452 1.00 0.00 H new ATOM 0 HE1 MET A 120 48.948 0.207 -1.721 1.00 0.00 H new ATOM 0 HE2 MET A 120 49.764 1.541 -0.870 1.00 0.00 H new ATOM 0 HE3 MET A 120 49.285 1.733 -2.573 1.00 0.00 H new ATOM 483 N LEU A 121 53.154 3.908 -6.550 1.00 0.00 N ATOM 484 CA LEU A 121 53.621 5.189 -7.072 1.00 0.00 C ATOM 485 C LEU A 121 52.806 5.614 -8.292 1.00 0.00 C ATOM 486 O LEU A 121 51.933 6.478 -8.204 1.00 0.00 O ATOM 487 CB LEU A 121 55.097 5.095 -7.468 1.00 0.00 C ATOM 488 CG LEU A 121 55.929 4.670 -6.258 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.392 4.509 -6.677 1.00 0.00 C ATOM 490 CD2 LEU A 121 55.827 5.738 -5.169 1.00 0.00 C ATOM 0 H LEU A 121 53.243 3.124 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 121 53.497 5.932 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 121 55.221 4.376 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 121 55.445 6.058 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 121 55.553 3.722 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 121 57.986 4.206 -5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.466 3.748 -7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.767 5.458 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.420 5.435 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.203 6.686 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 121 54.785 5.855 -4.870 1.00 0.00 H new ATOM 502 N GLN A 122 53.114 5.007 -9.435 1.00 0.00 N ATOM 503 CA GLN A 122 52.423 5.333 -10.681 1.00 0.00 C ATOM 504 C GLN A 122 50.917 5.123 -10.545 1.00 0.00 C ATOM 505 O GLN A 122 50.121 5.869 -11.115 1.00 0.00 O ATOM 506 CB GLN A 122 52.949 4.458 -11.821 1.00 0.00 C ATOM 507 CG GLN A 122 53.372 5.341 -12.999 1.00 0.00 C ATOM 508 CD GLN A 122 54.054 4.481 -14.059 1.00 0.00 C ATOM 509 OE1 GLN A 122 53.500 4.253 -15.134 1.00 0.00 O ATOM 510 NE2 GLN A 122 55.238 3.985 -13.818 1.00 0.00 N ATOM 0 H GLN A 122 53.834 4.290 -9.525 1.00 0.00 H new ATOM 0 HA GLN A 122 52.614 6.383 -10.902 1.00 0.00 H new ATOM 0 HB2 GLN A 122 53.796 3.866 -11.476 1.00 0.00 H new ATOM 0 HB3 GLN A 122 52.178 3.756 -12.139 1.00 0.00 H new ATOM 0 HG2 GLN A 122 52.501 5.840 -13.425 1.00 0.00 H new ATOM 0 HG3 GLN A 122 54.051 6.122 -12.657 1.00 0.00 H new ATOM 0 HE21 GLN A 122 55.698 4.173 -12.927 1.00 0.00 H new ATOM 0 HE22 GLN A 122 55.702 3.409 -14.520 1.00 0.00 H new ATOM 519 N ALA A 123 50.534 4.097 -9.791 1.00 0.00 N ATOM 520 CA ALA A 123 49.116 3.796 -9.599 1.00 0.00 C ATOM 521 C ALA A 123 48.487 4.759 -8.595 1.00 0.00 C ATOM 522 O ALA A 123 47.426 5.330 -8.844 1.00 0.00 O ATOM 523 CB ALA A 123 48.937 2.363 -9.094 1.00 0.00 C ATOM 0 H ALA A 123 51.174 3.467 -9.308 1.00 0.00 H new ATOM 0 HA ALA A 123 48.620 3.909 -10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.876 2.156 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 123 49.352 1.666 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 123 49.456 2.245 -8.143 1.00 0.00 H new ATOM 529 N THR A 124 49.150 4.925 -7.455 1.00 0.00 N ATOM 530 CA THR A 124 48.643 5.816 -6.413 1.00 0.00 C ATOM 531 C THR A 124 48.437 7.226 -6.958 1.00 0.00 C ATOM 532 O THR A 124 47.629 7.995 -6.438 1.00 0.00 O ATOM 533 CB THR A 124 49.617 5.875 -5.236 1.00 0.00 C ATOM 534 OG1 THR A 124 49.027 6.613 -4.175 1.00 0.00 O ATOM 535 CG2 THR A 124 50.915 6.556 -5.676 1.00 0.00 C ATOM 0 H THR A 124 50.030 4.461 -7.229 1.00 0.00 H new ATOM 0 HA THR A 124 47.686 5.418 -6.075 1.00 0.00 H new ATOM 0 HB THR A 124 49.840 4.863 -4.897 1.00 0.00 H new ATOM 0 HG1 THR A 124 49.648 6.651 -3.418 1.00 0.00 H new ATOM 0 HG21 THR A 124 51.608 6.597 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 124 51.366 5.989 -6.490 1.00 0.00 H new ATOM 0 HG23 THR A 124 50.697 7.568 -6.016 1.00 0.00 H new ATOM 543 N GLY A 125 49.179 7.557 -8.009 1.00 0.00 N ATOM 544 CA GLY A 125 49.071 8.880 -8.616 1.00 0.00 C ATOM 545 C GLY A 125 50.211 9.779 -8.154 1.00 0.00 C ATOM 546 O GLY A 125 49.994 10.790 -7.485 1.00 0.00 O ATOM 0 H GLY A 125 49.855 6.936 -8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 125 49.090 8.790 -9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 125 48.115 9.331 -8.350 1.00 0.00 H new ATOM 550 N GLU A 126 51.431 9.397 -8.520 1.00 0.00 N ATOM 551 CA GLU A 126 52.606 10.174 -8.140 1.00 0.00 C ATOM 552 C GLU A 126 53.226 10.845 -9.369 1.00 0.00 C ATOM 553 O GLU A 126 54.173 11.623 -9.256 1.00 0.00 O ATOM 554 CB GLU A 126 53.640 9.270 -7.438 1.00 0.00 C ATOM 555 CG GLU A 126 54.701 8.764 -8.428 1.00 0.00 C ATOM 556 CD GLU A 126 54.054 7.849 -9.460 1.00 0.00 C ATOM 557 OE1 GLU A 126 52.980 8.182 -9.932 1.00 0.00 O ATOM 558 OE2 GLU A 126 54.648 6.829 -9.768 1.00 0.00 O ATOM 0 H GLU A 126 51.631 8.564 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 126 52.297 10.953 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 126 54.124 9.824 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 126 53.133 8.421 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 126 55.178 9.608 -8.926 1.00 0.00 H new ATOM 0 HG3 GLU A 126 55.483 8.226 -7.892 1.00 0.00 H new ATOM 565 N THR A 127 52.681 10.531 -10.543 1.00 0.00 N ATOM 566 CA THR A 127 53.187 11.104 -11.787 1.00 0.00 C ATOM 567 C THR A 127 54.708 11.210 -11.746 1.00 0.00 C ATOM 568 O THR A 127 55.263 12.228 -11.334 1.00 0.00 O ATOM 569 CB THR A 127 52.598 12.497 -12.022 1.00 0.00 C ATOM 570 OG1 THR A 127 53.348 13.162 -13.029 1.00 0.00 O ATOM 571 CG2 THR A 127 52.655 13.306 -10.725 1.00 0.00 C ATOM 0 H THR A 127 51.897 9.889 -10.658 1.00 0.00 H new ATOM 0 HA THR A 127 52.888 10.444 -12.602 1.00 0.00 H new ATOM 0 HB THR A 127 51.560 12.402 -12.342 1.00 0.00 H new ATOM 0 HG1 THR A 127 52.971 14.054 -13.182 1.00 0.00 H new ATOM 0 HG21 THR A 127 52.235 14.297 -10.896 1.00 0.00 H new ATOM 0 HG22 THR A 127 52.079 12.796 -9.953 1.00 0.00 H new ATOM 0 HG23 THR A 127 53.691 13.402 -10.401 1.00 0.00 H new ATOM 579 N ILE A 128 55.374 10.146 -12.184 1.00 0.00 N ATOM 580 CA ILE A 128 56.833 10.127 -12.200 1.00 0.00 C ATOM 581 C ILE A 128 57.339 9.241 -13.339 1.00 0.00 C ATOM 582 O ILE A 128 57.499 9.698 -14.470 1.00 0.00 O ATOM 583 CB ILE A 128 57.379 9.614 -10.861 1.00 0.00 C ATOM 584 CG1 ILE A 128 57.259 10.721 -9.810 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.853 9.224 -11.015 1.00 0.00 C ATOM 586 CD1 ILE A 128 57.874 10.244 -8.492 1.00 0.00 C ATOM 0 H ILE A 128 54.932 9.294 -12.529 1.00 0.00 H new ATOM 0 HA ILE A 128 57.187 11.146 -12.357 1.00 0.00 H new ATOM 0 HB ILE A 128 56.805 8.741 -10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.767 11.621 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.212 10.983 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 128 59.235 8.861 -10.061 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.945 8.439 -11.765 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.429 10.095 -11.328 1.00 0.00 H new ATOM 0 HD11 ILE A 128 57.788 11.032 -7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.346 9.356 -8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.926 10.004 -8.647 1.00 0.00 H new ATOM 598 N THR A 129 57.591 7.971 -13.026 1.00 0.00 N ATOM 599 CA THR A 129 58.082 7.030 -14.031 1.00 0.00 C ATOM 600 C THR A 129 58.578 5.753 -13.356 1.00 0.00 C ATOM 601 O THR A 129 58.389 5.556 -12.156 1.00 0.00 O ATOM 602 CB THR A 129 59.228 7.655 -14.834 1.00 0.00 C ATOM 603 OG1 THR A 129 59.840 6.663 -15.646 1.00 0.00 O ATOM 604 CG2 THR A 129 60.264 8.241 -13.875 1.00 0.00 C ATOM 0 H THR A 129 57.465 7.573 -12.095 1.00 0.00 H new ATOM 0 HA THR A 129 57.261 6.790 -14.706 1.00 0.00 H new ATOM 0 HB THR A 129 58.832 8.447 -15.470 1.00 0.00 H new ATOM 0 HG1 THR A 129 59.226 6.404 -16.364 1.00 0.00 H new ATOM 0 HG21 THR A 129 61.079 8.685 -14.447 1.00 0.00 H new ATOM 0 HG22 THR A 129 59.795 9.006 -13.256 1.00 0.00 H new ATOM 0 HG23 THR A 129 60.658 7.450 -13.237 1.00 0.00 H new ATOM 612 N GLU A 130 59.215 4.888 -14.140 1.00 0.00 N ATOM 613 CA GLU A 130 59.736 3.631 -13.609 1.00 0.00 C ATOM 614 C GLU A 130 61.148 3.822 -13.063 1.00 0.00 C ATOM 615 O GLU A 130 61.887 2.858 -12.867 1.00 0.00 O ATOM 616 CB GLU A 130 59.774 2.564 -14.704 1.00 0.00 C ATOM 617 CG GLU A 130 58.628 1.573 -14.495 1.00 0.00 C ATOM 618 CD GLU A 130 57.774 1.509 -15.757 1.00 0.00 C ATOM 619 OE1 GLU A 130 56.946 2.388 -15.933 1.00 0.00 O ATOM 620 OE2 GLU A 130 57.961 0.584 -16.530 1.00 0.00 O ATOM 0 H GLU A 130 59.382 5.031 -15.136 1.00 0.00 H new ATOM 0 HA GLU A 130 59.074 3.310 -12.804 1.00 0.00 H new ATOM 0 HB2 GLU A 130 59.689 3.032 -15.685 1.00 0.00 H new ATOM 0 HB3 GLU A 130 60.730 2.040 -14.682 1.00 0.00 H new ATOM 0 HG2 GLU A 130 59.025 0.585 -14.262 1.00 0.00 H new ATOM 0 HG3 GLU A 130 58.018 1.880 -13.646 1.00 0.00 H new ATOM 627 N ASP A 131 61.516 5.077 -12.822 1.00 0.00 N ATOM 628 CA ASP A 131 62.847 5.381 -12.301 1.00 0.00 C ATOM 629 C ASP A 131 62.836 5.402 -10.775 1.00 0.00 C ATOM 630 O ASP A 131 63.450 4.558 -10.124 1.00 0.00 O ATOM 631 CB ASP A 131 63.328 6.739 -12.816 1.00 0.00 C ATOM 632 CG ASP A 131 64.437 6.530 -13.842 1.00 0.00 C ATOM 633 OD1 ASP A 131 65.580 6.413 -13.433 1.00 0.00 O ATOM 634 OD2 ASP A 131 64.126 6.489 -15.021 1.00 0.00 O ATOM 0 H ASP A 131 60.921 5.891 -12.976 1.00 0.00 H new ATOM 0 HA ASP A 131 63.526 4.601 -12.646 1.00 0.00 H new ATOM 0 HB2 ASP A 131 62.498 7.283 -13.267 1.00 0.00 H new ATOM 0 HB3 ASP A 131 63.694 7.345 -11.987 1.00 0.00 H new ATOM 639 N ASP A 132 62.132 6.381 -10.214 1.00 0.00 N ATOM 640 CA ASP A 132 62.047 6.512 -8.761 1.00 0.00 C ATOM 641 C ASP A 132 61.942 5.141 -8.101 1.00 0.00 C ATOM 642 O ASP A 132 62.494 4.909 -7.026 1.00 0.00 O ATOM 643 CB ASP A 132 60.826 7.346 -8.369 1.00 0.00 C ATOM 644 CG ASP A 132 61.219 8.817 -8.285 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.764 9.320 -9.254 1.00 0.00 O ATOM 646 OD2 ASP A 132 60.969 9.419 -7.254 1.00 0.00 O ATOM 0 H ASP A 132 61.616 7.089 -10.736 1.00 0.00 H new ATOM 0 HA ASP A 132 62.954 7.009 -8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.031 7.213 -9.102 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.435 7.008 -7.409 1.00 0.00 H new ATOM 651 N ILE A 133 61.221 4.236 -8.755 1.00 0.00 N ATOM 652 CA ILE A 133 61.041 2.889 -8.221 1.00 0.00 C ATOM 653 C ILE A 133 62.385 2.177 -8.079 1.00 0.00 C ATOM 654 O ILE A 133 62.928 2.061 -6.981 1.00 0.00 O ATOM 655 CB ILE A 133 60.135 2.069 -9.140 1.00 0.00 C ATOM 656 CG1 ILE A 133 58.711 2.626 -9.075 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.133 0.608 -8.685 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.346 3.254 -10.421 1.00 0.00 C ATOM 0 H ILE A 133 60.756 4.407 -9.646 1.00 0.00 H new ATOM 0 HA ILE A 133 60.579 2.979 -7.238 1.00 0.00 H new ATOM 0 HB ILE A 133 60.504 2.128 -10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.008 1.829 -8.831 1.00 0.00 H new ATOM 0 HG13 ILE A 133 58.636 3.370 -8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 133 59.487 0.024 -9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.148 0.212 -8.728 1.00 0.00 H new ATOM 0 HG23 ILE A 133 59.763 0.546 -7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.332 3.651 -10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.042 4.062 -10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.404 2.497 -11.203 1.00 0.00 H new ATOM 670 N GLU A 134 62.910 1.697 -9.203 1.00 0.00 N ATOM 671 CA GLU A 134 64.189 0.990 -9.195 1.00 0.00 C ATOM 672 C GLU A 134 65.266 1.829 -8.514 1.00 0.00 C ATOM 673 O GLU A 134 66.109 1.309 -7.784 1.00 0.00 O ATOM 674 CB GLU A 134 64.636 0.672 -10.623 1.00 0.00 C ATOM 675 CG GLU A 134 65.728 -0.401 -10.590 1.00 0.00 C ATOM 676 CD GLU A 134 66.431 -0.455 -11.943 1.00 0.00 C ATOM 677 OE1 GLU A 134 65.810 -0.089 -12.926 1.00 0.00 O ATOM 678 OE2 GLU A 134 67.581 -0.863 -11.974 1.00 0.00 O ATOM 0 H GLU A 134 62.476 1.783 -10.122 1.00 0.00 H new ATOM 0 HA GLU A 134 64.051 0.061 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 134 63.787 0.324 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 134 65.012 1.573 -11.107 1.00 0.00 H new ATOM 0 HG2 GLU A 134 66.448 -0.178 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 134 65.291 -1.372 -10.356 1.00 0.00 H new ATOM 685 N GLU A 135 65.232 3.135 -8.765 1.00 0.00 N ATOM 686 CA GLU A 135 66.215 4.039 -8.173 1.00 0.00 C ATOM 687 C GLU A 135 66.156 3.971 -6.650 1.00 0.00 C ATOM 688 O GLU A 135 67.135 3.619 -5.991 1.00 0.00 O ATOM 689 CB GLU A 135 65.955 5.480 -8.617 1.00 0.00 C ATOM 690 CG GLU A 135 67.022 5.904 -9.627 1.00 0.00 C ATOM 691 CD GLU A 135 68.129 6.665 -8.907 1.00 0.00 C ATOM 692 OE1 GLU A 135 67.816 7.385 -7.973 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.275 6.518 -9.299 1.00 0.00 O ATOM 0 H GLU A 135 64.544 3.587 -9.367 1.00 0.00 H new ATOM 0 HA GLU A 135 67.203 3.727 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 135 64.964 5.561 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.971 6.146 -7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 135 67.434 5.027 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 135 66.578 6.531 -10.400 1.00 0.00 H new ATOM 700 N LEU A 136 64.996 4.315 -6.099 1.00 0.00 N ATOM 701 CA LEU A 136 64.814 4.294 -4.649 1.00 0.00 C ATOM 702 C LEU A 136 64.952 2.872 -4.112 1.00 0.00 C ATOM 703 O LEU A 136 65.313 2.663 -2.954 1.00 0.00 O ATOM 704 CB LEU A 136 63.433 4.835 -4.277 1.00 0.00 C ATOM 705 CG LEU A 136 63.535 5.658 -2.992 1.00 0.00 C ATOM 706 CD1 LEU A 136 62.365 6.640 -2.920 1.00 0.00 C ATOM 707 CD2 LEU A 136 63.487 4.722 -1.782 1.00 0.00 C ATOM 0 H LEU A 136 64.174 4.609 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 136 65.584 4.925 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 136 63.043 5.452 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.733 4.011 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 136 64.475 6.210 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 136 62.438 7.226 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 136 62.396 7.307 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 136 61.425 6.087 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 136 63.560 5.308 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 136 62.547 4.170 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 136 64.320 4.021 -1.831 1.00 0.00 H new ATOM 719 N MET A 137 64.655 1.899 -4.967 1.00 0.00 N ATOM 720 CA MET A 137 64.744 0.495 -4.572 1.00 0.00 C ATOM 721 C MET A 137 66.124 0.181 -4.001 1.00 0.00 C ATOM 722 O MET A 137 66.279 -0.041 -2.800 1.00 0.00 O ATOM 723 CB MET A 137 64.487 -0.417 -5.774 1.00 0.00 C ATOM 724 CG MET A 137 63.330 -1.368 -5.459 1.00 0.00 C ATOM 725 SD MET A 137 63.765 -2.401 -4.037 1.00 0.00 S ATOM 726 CE MET A 137 62.546 -3.709 -4.322 1.00 0.00 C ATOM 0 H MET A 137 64.353 2.053 -5.929 1.00 0.00 H new ATOM 0 HA MET A 137 63.987 0.317 -3.808 1.00 0.00 H new ATOM 0 HB2 MET A 137 64.250 0.182 -6.653 1.00 0.00 H new ATOM 0 HB3 MET A 137 65.386 -0.987 -6.010 1.00 0.00 H new ATOM 0 HG2 MET A 137 62.426 -0.799 -5.245 1.00 0.00 H new ATOM 0 HG3 MET A 137 63.115 -1.995 -6.325 1.00 0.00 H new ATOM 0 HE1 MET A 137 62.279 -4.171 -3.372 1.00 0.00 H new ATOM 0 HE2 MET A 137 61.654 -3.282 -4.781 1.00 0.00 H new ATOM 0 HE3 MET A 137 62.970 -4.463 -4.986 1.00 0.00 H new ATOM 736 N LYS A 138 67.124 0.157 -4.879 1.00 0.00 N ATOM 737 CA LYS A 138 68.491 -0.141 -4.456 1.00 0.00 C ATOM 738 C LYS A 138 68.917 0.780 -3.317 1.00 0.00 C ATOM 739 O LYS A 138 69.726 0.405 -2.469 1.00 0.00 O ATOM 740 CB LYS A 138 69.464 0.026 -5.625 1.00 0.00 C ATOM 741 CG LYS A 138 69.164 1.332 -6.364 1.00 0.00 C ATOM 742 CD LYS A 138 70.327 1.667 -7.299 1.00 0.00 C ATOM 743 CE LYS A 138 70.083 1.030 -8.669 1.00 0.00 C ATOM 744 NZ LYS A 138 70.619 1.924 -9.734 1.00 0.00 N ATOM 0 H LYS A 138 67.016 0.338 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 138 68.514 -1.174 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 138 70.490 0.032 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 138 69.375 -0.818 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 138 68.241 1.235 -6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.014 2.141 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 138 70.425 2.748 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 138 71.263 1.300 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 138 70.567 0.055 -8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 138 69.016 0.865 -8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 70.454 1.492 -10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 70.138 2.845 -9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 71.640 2.060 -9.592 1.00 0.00 H new ATOM 758 N ASP A 139 68.363 1.988 -3.304 1.00 0.00 N ATOM 759 CA ASP A 139 68.697 2.952 -2.259 1.00 0.00 C ATOM 760 C ASP A 139 67.968 2.603 -0.965 1.00 0.00 C ATOM 761 O ASP A 139 68.407 2.959 0.128 1.00 0.00 O ATOM 762 CB ASP A 139 68.305 4.368 -2.686 1.00 0.00 C ATOM 763 CG ASP A 139 68.817 5.369 -1.655 1.00 0.00 C ATOM 764 OD1 ASP A 139 68.134 5.571 -0.664 1.00 0.00 O ATOM 765 OD2 ASP A 139 69.884 5.919 -1.872 1.00 0.00 O ATOM 0 H ASP A 139 67.690 2.321 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 139 69.774 2.911 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 139 68.724 4.593 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 139 67.222 4.445 -2.777 1.00 0.00 H new ATOM 770 N GLY A 140 66.849 1.897 -1.105 1.00 0.00 N ATOM 771 CA GLY A 140 66.060 1.497 0.056 1.00 0.00 C ATOM 772 C GLY A 140 65.963 -0.022 0.141 1.00 0.00 C ATOM 773 O GLY A 140 64.905 -0.576 0.443 1.00 0.00 O ATOM 0 H GLY A 140 66.471 1.593 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 140 66.516 1.889 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 140 65.061 1.928 -0.011 1.00 0.00 H new ATOM 777 N ASP A 141 67.081 -0.688 -0.131 1.00 0.00 N ATOM 778 CA ASP A 141 67.119 -2.146 -0.086 1.00 0.00 C ATOM 779 C ASP A 141 68.545 -2.632 0.150 1.00 0.00 C ATOM 780 O ASP A 141 69.213 -3.113 -0.765 1.00 0.00 O ATOM 781 CB ASP A 141 66.600 -2.735 -1.399 1.00 0.00 C ATOM 782 CG ASP A 141 66.599 -4.257 -1.309 1.00 0.00 C ATOM 783 OD1 ASP A 141 67.015 -4.770 -0.283 1.00 0.00 O ATOM 784 OD2 ASP A 141 66.181 -4.888 -2.267 1.00 0.00 O ATOM 0 H ASP A 141 67.965 -0.246 -0.383 1.00 0.00 H new ATOM 0 HA ASP A 141 66.482 -2.476 0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 141 65.592 -2.371 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 141 67.227 -2.410 -2.229 1.00 0.00 H new ATOM 789 N LYS A 142 69.003 -2.497 1.391 1.00 0.00 N ATOM 790 CA LYS A 142 70.354 -2.922 1.745 1.00 0.00 C ATOM 791 C LYS A 142 70.534 -4.411 1.470 1.00 0.00 C ATOM 792 O LYS A 142 71.638 -4.876 1.186 1.00 0.00 O ATOM 793 CB LYS A 142 70.624 -2.652 3.226 1.00 0.00 C ATOM 794 CG LYS A 142 72.054 -2.138 3.401 1.00 0.00 C ATOM 795 CD LYS A 142 73.026 -3.318 3.377 1.00 0.00 C ATOM 796 CE LYS A 142 74.136 -3.087 4.404 1.00 0.00 C ATOM 797 NZ LYS A 142 74.673 -4.400 4.857 1.00 0.00 N ATOM 0 H LYS A 142 68.465 -2.101 2.162 1.00 0.00 H new ATOM 0 HA LYS A 142 71.058 -2.354 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.914 -1.919 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 142 70.481 -3.565 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 142 72.299 -1.435 2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 142 72.145 -1.597 4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 142 72.496 -4.244 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 142 73.455 -3.429 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 142 74.934 -2.488 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 142 73.748 -2.527 5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 75.428 -4.244 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 73.909 -4.956 5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 75.058 -4.918 4.041 1.00 0.00 H new ATOM 811 N ASN A 143 69.435 -5.153 1.562 1.00 0.00 N ATOM 812 CA ASN A 143 69.475 -6.594 1.324 1.00 0.00 C ATOM 813 C ASN A 143 69.974 -6.893 -0.086 1.00 0.00 C ATOM 814 O ASN A 143 70.377 -8.015 -0.391 1.00 0.00 O ATOM 815 CB ASN A 143 68.082 -7.202 1.498 1.00 0.00 C ATOM 816 CG ASN A 143 67.852 -7.536 2.967 1.00 0.00 C ATOM 817 OD1 ASN A 143 68.804 -7.715 3.726 1.00 0.00 O ATOM 818 ND2 ASN A 143 66.631 -7.631 3.419 1.00 0.00 N ATOM 0 H ASN A 143 68.513 -4.786 1.797 1.00 0.00 H new ATOM 0 HA ASN A 143 70.159 -7.034 2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 143 67.322 -6.502 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 143 67.988 -8.102 0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 143 66.466 -7.853 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 143 65.842 -7.483 2.790 1.00 0.00 H new ATOM 825 N ASN A 144 69.944 -5.876 -0.942 1.00 0.00 N ATOM 826 CA ASN A 144 70.396 -6.042 -2.320 1.00 0.00 C ATOM 827 C ASN A 144 69.792 -7.305 -2.927 1.00 0.00 C ATOM 828 O ASN A 144 70.457 -8.039 -3.658 1.00 0.00 O ATOM 829 CB ASN A 144 71.922 -6.146 -2.372 1.00 0.00 C ATOM 830 CG ASN A 144 72.426 -5.588 -3.699 1.00 0.00 C ATOM 831 OD1 ASN A 144 71.684 -5.703 -4.765 1.00 0.00 O flip ATOM 832 ND2 ASN A 144 73.523 -5.034 -3.770 1.00 0.00 N flip ATOM 0 H ASN A 144 69.616 -4.939 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 144 70.071 -5.172 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.363 -5.594 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.230 -7.186 -2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 144 74.104 -4.944 -2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 144 73.851 -4.665 -4.663 1.00 0.00 H new ATOM 839 N ASP A 145 68.523 -7.548 -2.615 1.00 0.00 N ATOM 840 CA ASP A 145 67.834 -8.727 -3.134 1.00 0.00 C ATOM 841 C ASP A 145 66.610 -8.322 -3.953 1.00 0.00 C ATOM 842 O ASP A 145 65.904 -9.171 -4.497 1.00 0.00 O ATOM 843 CB ASP A 145 67.385 -9.632 -1.986 1.00 0.00 C ATOM 844 CG ASP A 145 68.129 -10.962 -2.062 1.00 0.00 C ATOM 845 OD1 ASP A 145 69.320 -10.937 -2.326 1.00 0.00 O ATOM 846 OD2 ASP A 145 67.496 -11.984 -1.856 1.00 0.00 O ATOM 0 H ASP A 145 67.955 -6.953 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 145 68.533 -9.266 -3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.582 -9.148 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 145 66.310 -9.801 -2.042 1.00 0.00 H new ATOM 851 N GLY A 146 66.364 -7.016 -4.034 1.00 0.00 N ATOM 852 CA GLY A 146 65.219 -6.514 -4.789 1.00 0.00 C ATOM 853 C GLY A 146 63.944 -6.597 -3.957 1.00 0.00 C ATOM 854 O GLY A 146 62.901 -7.043 -4.435 1.00 0.00 O ATOM 0 H GLY A 146 66.934 -6.295 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.398 -5.481 -5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 146 65.099 -7.093 -5.705 1.00 0.00 H new ATOM 858 N ARG A 147 64.040 -6.163 -2.703 1.00 0.00 N ATOM 859 CA ARG A 147 62.887 -6.193 -1.807 1.00 0.00 C ATOM 860 C ARG A 147 63.203 -5.457 -0.508 1.00 0.00 C ATOM 861 O ARG A 147 64.310 -4.955 -0.315 1.00 0.00 O ATOM 862 CB ARG A 147 62.499 -7.636 -1.483 1.00 0.00 C ATOM 863 CG ARG A 147 63.654 -8.327 -0.756 1.00 0.00 C ATOM 864 CD ARG A 147 63.198 -9.702 -0.266 1.00 0.00 C ATOM 865 NE ARG A 147 63.141 -10.649 -1.376 1.00 0.00 N ATOM 866 CZ ARG A 147 62.914 -11.942 -1.164 1.00 0.00 C ATOM 867 NH1 ARG A 147 62.743 -12.383 0.052 1.00 0.00 N ATOM 868 NH2 ARG A 147 62.864 -12.770 -2.171 1.00 0.00 N ATOM 0 H ARG A 147 64.894 -5.790 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 147 62.056 -5.699 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.604 -7.652 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 147 62.260 -8.174 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 147 64.508 -8.432 -1.425 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.983 -7.719 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 147 63.885 -10.068 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 147 62.216 -9.621 0.201 1.00 0.00 H new ATOM 0 HE ARG A 147 63.278 -10.313 -2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 147 62.783 -11.736 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 147 62.569 -13.375 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 147 62.999 -12.426 -3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 147 62.690 -13.762 -2.008 1.00 0.00 H new ATOM 882 N ILE A 148 62.214 -5.397 0.380 1.00 0.00 N ATOM 883 CA ILE A 148 62.393 -4.715 1.659 1.00 0.00 C ATOM 884 C ILE A 148 62.061 -5.651 2.818 1.00 0.00 C ATOM 885 O ILE A 148 61.199 -6.523 2.705 1.00 0.00 O ATOM 886 CB ILE A 148 61.487 -3.486 1.740 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.344 -2.868 0.347 1.00 0.00 C ATOM 888 CG2 ILE A 148 62.100 -2.458 2.693 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.681 -2.259 -0.078 1.00 0.00 C ATOM 0 H ILE A 148 61.291 -5.807 0.241 1.00 0.00 H new ATOM 0 HA ILE A 148 63.436 -4.406 1.730 1.00 0.00 H new ATOM 0 HB ILE A 148 60.506 -3.782 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.034 -3.628 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.569 -2.102 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.453 -1.583 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 148 62.203 -2.898 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 148 63.082 -2.160 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.581 -1.818 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.972 -1.487 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.444 -3.037 -0.102 1.00 0.00 H new ATOM 901 N ASP A 149 62.752 -5.454 3.937 1.00 0.00 N ATOM 902 CA ASP A 149 62.522 -6.281 5.118 1.00 0.00 C ATOM 903 C ASP A 149 62.032 -5.419 6.278 1.00 0.00 C ATOM 904 O ASP A 149 62.184 -4.198 6.271 1.00 0.00 O ATOM 905 CB ASP A 149 63.808 -6.998 5.534 1.00 0.00 C ATOM 906 CG ASP A 149 63.492 -8.015 6.625 1.00 0.00 C ATOM 907 OD1 ASP A 149 62.336 -8.386 6.745 1.00 0.00 O ATOM 908 OD2 ASP A 149 64.411 -8.409 7.325 1.00 0.00 O ATOM 0 H ASP A 149 63.468 -4.737 4.051 1.00 0.00 H new ATOM 0 HA ASP A 149 61.764 -7.023 4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.253 -7.498 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 149 64.539 -6.275 5.896 1.00 0.00 H new ATOM 913 N TYR A 150 61.438 -6.071 7.274 1.00 0.00 N ATOM 914 CA TYR A 150 60.921 -5.357 8.439 1.00 0.00 C ATOM 915 C TYR A 150 61.952 -4.360 8.963 1.00 0.00 C ATOM 916 O TYR A 150 61.678 -3.165 9.080 1.00 0.00 O ATOM 917 CB TYR A 150 60.567 -6.342 9.557 1.00 0.00 C ATOM 918 CG TYR A 150 59.818 -5.632 10.669 1.00 0.00 C ATOM 919 CD1 TYR A 150 59.423 -4.293 10.522 1.00 0.00 C ATOM 920 CD2 TYR A 150 59.517 -6.321 11.851 1.00 0.00 C ATOM 921 CE1 TYR A 150 58.730 -3.650 11.555 1.00 0.00 C ATOM 922 CE2 TYR A 150 58.825 -5.675 12.883 1.00 0.00 C ATOM 923 CZ TYR A 150 58.432 -4.341 12.735 1.00 0.00 C ATOM 924 OH TYR A 150 57.749 -3.706 13.754 1.00 0.00 O ATOM 0 H TYR A 150 61.303 -7.082 7.299 1.00 0.00 H new ATOM 0 HA TYR A 150 60.025 -4.819 8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 150 59.956 -7.151 9.157 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.476 -6.794 9.953 1.00 0.00 H new ATOM 0 HD1 TYR A 150 59.654 -3.759 9.612 1.00 0.00 H new ATOM 0 HD2 TYR A 150 59.819 -7.351 11.967 1.00 0.00 H new ATOM 0 HE1 TYR A 150 58.425 -2.620 11.441 1.00 0.00 H new ATOM 0 HE2 TYR A 150 58.595 -6.207 13.794 1.00 0.00 H new ATOM 0 HH TYR A 150 58.387 -3.249 14.341 1.00 0.00 H new ATOM 934 N ASP A 151 63.140 -4.866 9.282 1.00 0.00 N ATOM 935 CA ASP A 151 64.208 -4.013 9.800 1.00 0.00 C ATOM 936 C ASP A 151 64.535 -2.895 8.815 1.00 0.00 C ATOM 937 O ASP A 151 64.469 -1.714 9.154 1.00 0.00 O ATOM 938 CB ASP A 151 65.472 -4.835 10.056 1.00 0.00 C ATOM 939 CG ASP A 151 66.161 -4.329 11.319 1.00 0.00 C ATOM 940 OD1 ASP A 151 65.512 -4.299 12.352 1.00 0.00 O ATOM 941 OD2 ASP A 151 67.326 -3.977 11.235 1.00 0.00 O ATOM 0 H ASP A 151 63.387 -5.852 9.193 1.00 0.00 H new ATOM 0 HA ASP A 151 63.859 -3.577 10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.217 -5.889 10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.148 -4.757 9.204 1.00 0.00 H new ATOM 946 N GLU A 152 64.885 -3.275 7.590 1.00 0.00 N ATOM 947 CA GLU A 152 65.215 -2.290 6.569 1.00 0.00 C ATOM 948 C GLU A 152 64.097 -1.265 6.462 1.00 0.00 C ATOM 949 O GLU A 152 64.338 -0.063 6.353 1.00 0.00 O ATOM 950 CB GLU A 152 65.402 -2.969 5.213 1.00 0.00 C ATOM 951 CG GLU A 152 66.629 -3.879 5.262 1.00 0.00 C ATOM 952 CD GLU A 152 66.705 -4.697 3.979 1.00 0.00 C ATOM 953 OE1 GLU A 152 65.707 -5.303 3.626 1.00 0.00 O ATOM 954 OE2 GLU A 152 67.760 -4.705 3.366 1.00 0.00 O ATOM 0 H GLU A 152 64.947 -4.246 7.284 1.00 0.00 H new ATOM 0 HA GLU A 152 66.144 -1.796 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.515 -3.550 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.524 -2.218 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.533 -3.282 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.570 -4.541 6.126 1.00 0.00 H new ATOM 961 N PHE A 153 62.866 -1.761 6.505 1.00 0.00 N ATOM 962 CA PHE A 153 61.701 -0.892 6.422 1.00 0.00 C ATOM 963 C PHE A 153 61.696 0.090 7.589 1.00 0.00 C ATOM 964 O PHE A 153 61.267 1.236 7.455 1.00 0.00 O ATOM 965 CB PHE A 153 60.421 -1.727 6.463 1.00 0.00 C ATOM 966 CG PHE A 153 59.276 -0.931 5.884 1.00 0.00 C ATOM 967 CD1 PHE A 153 59.400 -0.347 4.618 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.090 -0.781 6.611 1.00 0.00 C ATOM 969 CE1 PHE A 153 58.338 0.389 4.079 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.028 -0.045 6.073 1.00 0.00 C ATOM 971 CZ PHE A 153 57.151 0.540 4.807 1.00 0.00 C ATOM 0 H PHE A 153 62.651 -2.754 6.596 1.00 0.00 H new ATOM 0 HA PHE A 153 61.746 -0.340 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.558 -2.649 5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.195 -2.014 7.490 1.00 0.00 H new ATOM 0 HD1 PHE A 153 60.315 -0.464 4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 153 57.994 -1.233 7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 153 58.434 0.840 3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.113 0.072 6.635 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.331 1.107 4.392 1.00 0.00 H new ATOM 981 N LEU A 154 62.182 -0.376 8.736 1.00 0.00 N ATOM 982 CA LEU A 154 62.235 0.461 9.932 1.00 0.00 C ATOM 983 C LEU A 154 63.107 1.691 9.693 1.00 0.00 C ATOM 984 O LEU A 154 62.613 2.816 9.626 1.00 0.00 O ATOM 985 CB LEU A 154 62.810 -0.330 11.110 1.00 0.00 C ATOM 986 CG LEU A 154 61.712 -0.583 12.144 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.132 0.753 12.608 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.605 -1.428 11.512 1.00 0.00 C ATOM 0 H LEU A 154 62.543 -1.322 8.863 1.00 0.00 H new ATOM 0 HA LEU A 154 61.218 0.778 10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.219 -1.278 10.760 1.00 0.00 H new ATOM 0 HB3 LEU A 154 63.632 0.223 11.565 1.00 0.00 H new ATOM 0 HG LEU A 154 62.131 -1.113 12.999 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.349 0.574 13.345 1.00 0.00 H new ATOM 0 HD12 LEU A 154 61.921 1.356 13.057 1.00 0.00 H new ATOM 0 HD13 LEU A 154 60.711 1.283 11.754 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.821 -1.610 12.247 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.185 -0.897 10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 154 61.019 -2.380 11.180 1.00 0.00 H new ATOM 1000 N GLU A 155 64.412 1.461 9.570 1.00 0.00 N ATOM 1001 CA GLU A 155 65.354 2.556 9.344 1.00 0.00 C ATOM 1002 C GLU A 155 64.823 3.515 8.284 1.00 0.00 C ATOM 1003 O GLU A 155 64.516 4.672 8.571 1.00 0.00 O ATOM 1004 CB GLU A 155 66.709 2.010 8.887 1.00 0.00 C ATOM 1005 CG GLU A 155 67.781 2.374 9.917 1.00 0.00 C ATOM 1006 CD GLU A 155 67.291 2.008 11.314 1.00 0.00 C ATOM 1007 OE1 GLU A 155 67.309 0.833 11.639 1.00 0.00 O ATOM 1008 OE2 GLU A 155 66.905 2.910 12.039 1.00 0.00 O ATOM 0 H GLU A 155 64.839 0.536 9.622 1.00 0.00 H new ATOM 0 HA GLU A 155 65.474 3.091 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.656 0.928 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.970 2.424 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 155 68.708 1.845 9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 155 68.002 3.440 9.866 1.00 0.00 H new ATOM 1015 N PHE A 156 64.722 3.023 7.053 1.00 0.00 N ATOM 1016 CA PHE A 156 64.229 3.850 5.955 1.00 0.00 C ATOM 1017 C PHE A 156 62.851 4.412 6.290 1.00 0.00 C ATOM 1018 O PHE A 156 62.684 5.617 6.477 1.00 0.00 O ATOM 1019 CB PHE A 156 64.138 3.033 4.665 1.00 0.00 C ATOM 1020 CG PHE A 156 64.451 3.923 3.486 1.00 0.00 C ATOM 1021 CD1 PHE A 156 63.786 5.146 3.338 1.00 0.00 C ATOM 1022 CD2 PHE A 156 65.405 3.525 2.542 1.00 0.00 C ATOM 1023 CE1 PHE A 156 64.076 5.972 2.245 1.00 0.00 C ATOM 1024 CE2 PHE A 156 65.695 4.352 1.449 1.00 0.00 C ATOM 1025 CZ PHE A 156 65.030 5.575 1.301 1.00 0.00 C ATOM 0 H PHE A 156 64.971 2.069 6.792 1.00 0.00 H new ATOM 0 HA PHE A 156 64.931 4.672 5.811 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.837 2.198 4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 156 63.140 2.609 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 156 63.050 5.452 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 156 65.917 2.581 2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 156 63.563 6.916 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 156 66.431 4.046 0.721 1.00 0.00 H new ATOM 0 HZ PHE A 156 65.253 6.212 0.458 1.00 0.00 H new ATOM 1035 N MET A 157 61.864 3.523 6.365 1.00 0.00 N ATOM 1036 CA MET A 157 60.501 3.939 6.681 1.00 0.00 C ATOM 1037 C MET A 157 60.369 4.229 8.173 1.00 0.00 C ATOM 1038 O MET A 157 59.637 3.547 8.891 1.00 0.00 O ATOM 1039 CB MET A 157 59.502 2.847 6.291 1.00 0.00 C ATOM 1040 CG MET A 157 58.133 3.476 6.028 1.00 0.00 C ATOM 1041 SD MET A 157 57.800 3.481 4.249 1.00 0.00 S ATOM 1042 CE MET A 157 59.204 4.512 3.758 1.00 0.00 C ATOM 0 H MET A 157 61.980 2.521 6.213 1.00 0.00 H new ATOM 0 HA MET A 157 60.283 4.844 6.114 1.00 0.00 H new ATOM 0 HB2 MET A 157 59.850 2.323 5.401 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.427 2.107 7.088 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.358 2.917 6.552 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.109 4.494 6.416 1.00 0.00 H new ATOM 0 HE1 MET A 157 59.195 4.648 2.677 1.00 0.00 H new ATOM 0 HE2 MET A 157 59.130 5.484 4.247 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.134 4.026 4.055 1.00 0.00 H new ATOM 1052 N LYS A 158 61.091 5.248 8.631 1.00 0.00 N ATOM 1053 CA LYS A 158 61.055 5.625 10.041 1.00 0.00 C ATOM 1054 C LYS A 158 59.834 6.492 10.333 1.00 0.00 C ATOM 1055 O LYS A 158 59.952 7.601 10.853 1.00 0.00 O ATOM 1056 CB LYS A 158 62.316 6.403 10.421 1.00 0.00 C ATOM 1057 CG LYS A 158 63.191 5.546 11.337 1.00 0.00 C ATOM 1058 CD LYS A 158 63.254 6.184 12.727 1.00 0.00 C ATOM 1059 CE LYS A 158 62.929 5.130 13.788 1.00 0.00 C ATOM 1060 NZ LYS A 158 63.953 4.049 13.743 1.00 0.00 N ATOM 0 H LYS A 158 61.703 5.823 8.052 1.00 0.00 H new ATOM 0 HA LYS A 158 61.000 4.709 10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.871 6.677 9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.045 7.331 10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 158 62.784 4.537 11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 158 64.194 5.457 10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 158 64.246 6.599 12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 158 62.547 7.011 12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 158 62.911 5.588 14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 158 61.937 4.714 13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 63.970 3.549 14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 63.716 3.378 12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 64.888 4.464 13.558 1.00 0.00 H new ATOM 1074 N GLY A 159 58.658 5.970 9.996 1.00 0.00 N ATOM 1075 CA GLY A 159 57.416 6.702 10.229 1.00 0.00 C ATOM 1076 C GLY A 159 57.214 7.790 9.179 1.00 0.00 C ATOM 1077 O GLY A 159 57.214 8.981 9.490 1.00 0.00 O ATOM 0 H GLY A 159 58.538 5.053 9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 159 56.573 6.011 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 159 57.435 7.150 11.222 1.00 0.00 H new ATOM 1081 N VAL A 160 57.034 7.366 7.931 1.00 0.00 N ATOM 1082 CA VAL A 160 56.823 8.312 6.838 1.00 0.00 C ATOM 1083 C VAL A 160 55.424 8.140 6.255 1.00 0.00 C ATOM 1084 O VAL A 160 55.234 8.161 5.039 1.00 0.00 O ATOM 1085 CB VAL A 160 57.856 8.096 5.731 1.00 0.00 C ATOM 1086 CG1 VAL A 160 57.771 9.243 4.721 1.00 0.00 C ATOM 1087 CG2 VAL A 160 59.257 8.061 6.342 1.00 0.00 C ATOM 0 H VAL A 160 57.030 6.385 7.653 1.00 0.00 H new ATOM 0 HA VAL A 160 56.932 9.320 7.238 1.00 0.00 H new ATOM 0 HB VAL A 160 57.654 7.151 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 160 58.507 9.089 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 160 56.772 9.270 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 160 57.973 10.188 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 160 59.994 7.907 5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 160 59.458 9.006 6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 160 59.320 7.245 7.062 1.00 0.00 H new ATOM 1097 N GLU A 161 54.446 7.967 7.140 1.00 0.00 N ATOM 1098 CA GLU A 161 53.061 7.789 6.711 1.00 0.00 C ATOM 1099 C GLU A 161 52.922 6.531 5.860 1.00 0.00 C ATOM 1100 O GLU A 161 53.940 6.023 5.418 1.00 0.00 O ATOM 1101 CB GLU A 161 52.592 8.996 5.896 1.00 0.00 C ATOM 1102 CG GLU A 161 51.149 9.338 6.274 1.00 0.00 C ATOM 1103 CD GLU A 161 50.686 10.550 5.473 1.00 0.00 C ATOM 1104 OE1 GLU A 161 51.538 11.295 5.018 1.00 0.00 O ATOM 1105 OE2 GLU A 161 49.486 10.715 5.326 1.00 0.00 O ATOM 1106 OXT GLU A 161 51.801 6.094 5.664 1.00 0.00 O ATOM 0 H GLU A 161 54.584 7.946 8.150 1.00 0.00 H new ATOM 0 HA GLU A 161 52.444 7.693 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 161 53.241 9.851 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 161 52.658 8.776 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 161 50.498 8.487 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 161 51.082 9.547 7.342 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 54.994 -7.333 0.189 1.00 0.00 CA HETATM 1115 CA CA A 3 65.961 -5.170 1.376 1.00 0.00 CA HETATM 1116 S1 EMD A 1 62.280 1.215 0.127 1.00 0.00 S HETATM 1117 C2 EMD A 1 63.008 1.173 -1.496 1.00 0.00 C HETATM 1118 O2 EMD A 1 64.114 0.659 -1.666 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.418 1.830 -2.487 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.240 2.536 -2.368 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.395 2.691 -1.404 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.610 1.859 -0.121 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.648 0.670 -0.103 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.468 3.958 -1.398 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.708 4.261 -0.260 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.881 5.398 -0.245 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.824 6.224 -1.394 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.586 5.915 -2.528 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.408 4.782 -2.529 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.917 7.447 -1.369 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.419 7.956 -0.021 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.931 7.238 1.211 1.00 0.00 C HETATM 1133 C17 EMD A 1 57.052 5.710 1.011 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.519 8.123 -2.519 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.886 7.761 -3.635 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.608 9.350 -2.449 1.00 0.00 C HETATM 1137 C20 EMD A 1 56.047 10.576 -2.964 1.00 0.00 C HETATM 1138 C21 EMD A 1 55.226 11.709 -2.873 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.714 12.910 -3.403 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.982 11.619 -2.275 1.00 0.00 C HETATM 1141 O22 EMD A 1 53.128 12.723 -2.162 1.00 0.00 O HETATM 1142 C23 EMD A 1 53.536 10.394 -1.757 1.00 0.00 C HETATM 1143 C24 EMD A 1 54.349 9.258 -1.844 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.957 13.037 -4.139 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.741 12.645 -1.749 1.00 0.00 C HETATM 0 H263 EMD A 1 51.189 12.012 -2.444 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.683 12.220 -0.747 1.00 0.00 H new HETATM 0 H261 EMD A 1 51.306 13.644 -1.745 1.00 0.00 H new HETATM 0 H253 EMD A 1 57.788 12.725 -3.506 1.00 0.00 H new HETATM 0 H252 EMD A 1 56.920 12.406 -5.027 1.00 0.00 H new HETATM 0 H251 EMD A 1 57.099 14.076 -4.437 1.00 0.00 H new HETATM 0 H172 EMD A 1 56.059 5.269 0.918 1.00 0.00 H new HETATM 0 H171 EMD A 1 57.521 5.258 1.885 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.906 7.642 1.482 1.00 0.00 H new HETATM 0 H161 EMD A 1 56.260 7.438 2.047 1.00 0.00 H new HETATM 0 H152 EMD A 1 56.686 9.009 0.064 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.330 7.902 -0.018 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.758 3.614 0.615 1.00 0.00 H new HETATM 0 H73 EMD A 1 59.910 -0.022 -0.903 1.00 0.00 H new HETATM 0 H72 EMD A 1 59.719 0.159 0.857 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.628 1.025 -0.250 1.00 0.00 H new HETATM 0 H6 EMD A 1 60.425 2.565 0.688 1.00 0.00 H new HETATM 0 H3 EMD A 1 62.868 1.811 -3.402 1.00 0.00 H new HETATM 0 H24 EMD A 1 54.003 8.306 -1.442 1.00 0.00 H new HETATM 0 H23 EMD A 1 52.555 10.327 -1.286 1.00 0.00 H new HETATM 0 H20 EMD A 1 57.027 10.650 -3.436 1.00 0.00 H new HETATM 0 H13 EMD A 1 60.002 4.541 -3.411 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.539 6.556 -3.408 1.00 0.00 H new