USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 771 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 30 CYS SG : rot 138:sc= -0.146 USER MOD Set 1.2: A 62 CYS SG : rot 140:sc= -3.41! USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 65 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -103:sc= -0.199 USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0285) USER MOD Single : A 17 ASN : amide:sc= -0.961 K(o=-0.96,f=-5.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 160:sc= -0.949 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= 0.112 (180deg=-0.21) USER MOD Single : A 44 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.055) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.361 F(o=-1.1,f=-0.36) USER MOD Single : A 57 GLN : amide:sc= 0.214 K(o=0.21,f=-5.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -37:sc= 0.694 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 21:sc= 0.13 USER MOD Single : A 81 CYS SG : rot -99:sc= 0.813 USER MOD Single : A 83 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.54) USER MOD Single : A 86 THR OG1 : rot 150:sc= -0.437 USER MOD Single : A 87 SER OG : rot 180:sc= -0.146 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0774 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.226 29.533 -3.091 1.00 0.00 N ATOM 2 CA GLY A 1 -0.094 28.808 -3.636 1.00 0.00 C ATOM 3 C GLY A 1 1.220 29.531 -3.412 1.00 0.00 C ATOM 4 O GLY A 1 2.170 28.955 -2.881 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.100 28.998 -3.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.099 29.656 -2.066 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.292 30.466 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.044 27.820 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.244 28.656 -4.705 1.00 0.00 H new ATOM 8 N SER A 2 1.275 30.795 -3.818 1.00 0.00 N ATOM 9 CA SER A 2 2.484 31.596 -3.663 1.00 0.00 C ATOM 10 C SER A 2 2.343 32.573 -2.501 1.00 0.00 C ATOM 11 O SER A 2 3.258 32.730 -1.692 1.00 0.00 O ATOM 12 CB SER A 2 2.783 32.360 -4.954 1.00 0.00 C ATOM 13 OG SER A 2 1.665 33.130 -5.362 1.00 0.00 O ATOM 0 H SER A 2 0.497 31.287 -4.257 1.00 0.00 H new ATOM 0 HA SER A 2 3.313 30.921 -3.448 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.643 33.013 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.051 31.657 -5.742 1.00 0.00 H new ATOM 0 HG SER A 2 1.882 33.610 -6.188 1.00 0.00 H new ATOM 19 N SER A 3 1.189 33.229 -2.424 1.00 0.00 N ATOM 20 CA SER A 3 0.928 34.195 -1.363 1.00 0.00 C ATOM 21 C SER A 3 0.094 33.567 -0.250 1.00 0.00 C ATOM 22 O SER A 3 -1.112 33.376 -0.395 1.00 0.00 O ATOM 23 CB SER A 3 0.206 35.420 -1.926 1.00 0.00 C ATOM 24 OG SER A 3 1.064 36.179 -2.761 1.00 0.00 O ATOM 0 H SER A 3 0.420 33.109 -3.084 1.00 0.00 H new ATOM 0 HA SER A 3 1.885 34.506 -0.945 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.669 35.102 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.153 36.043 -1.107 1.00 0.00 H new ATOM 0 HG SER A 3 0.578 36.955 -3.110 1.00 0.00 H new ATOM 30 N GLY A 4 0.749 33.248 0.863 1.00 0.00 N ATOM 31 CA GLY A 4 0.054 32.645 1.985 1.00 0.00 C ATOM 32 C GLY A 4 0.564 31.253 2.303 1.00 0.00 C ATOM 33 O GLY A 4 1.196 30.610 1.465 1.00 0.00 O ATOM 0 H GLY A 4 1.748 33.397 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.169 33.280 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.012 32.596 1.764 1.00 0.00 H new ATOM 37 N SER A 5 0.289 30.787 3.517 1.00 0.00 N ATOM 38 CA SER A 5 0.729 29.464 3.945 1.00 0.00 C ATOM 39 C SER A 5 -0.393 28.442 3.791 1.00 0.00 C ATOM 40 O SER A 5 -0.187 27.352 3.258 1.00 0.00 O ATOM 41 CB SER A 5 1.201 29.506 5.400 1.00 0.00 C ATOM 42 OG SER A 5 2.273 30.418 5.562 1.00 0.00 O ATOM 0 H SER A 5 -0.236 31.305 4.221 1.00 0.00 H new ATOM 0 HA SER A 5 1.561 29.162 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.372 29.795 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.516 28.510 5.712 1.00 0.00 H new ATOM 0 HG SER A 5 2.555 30.428 6.500 1.00 0.00 H new ATOM 48 N SER A 6 -1.582 28.803 4.263 1.00 0.00 N ATOM 49 CA SER A 6 -2.738 27.917 4.182 1.00 0.00 C ATOM 50 C SER A 6 -3.052 27.565 2.732 1.00 0.00 C ATOM 51 O SER A 6 -3.011 28.422 1.850 1.00 0.00 O ATOM 52 CB SER A 6 -3.956 28.573 4.835 1.00 0.00 C ATOM 53 OG SER A 6 -3.711 28.858 6.201 1.00 0.00 O ATOM 0 H SER A 6 -1.770 29.703 4.705 1.00 0.00 H new ATOM 0 HA SER A 6 -2.499 26.998 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.204 29.494 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.819 27.913 4.747 1.00 0.00 H new ATOM 0 HG SER A 6 -4.504 29.278 6.595 1.00 0.00 H new ATOM 59 N GLY A 7 -3.365 26.295 2.492 1.00 0.00 N ATOM 60 CA GLY A 7 -3.681 25.850 1.148 1.00 0.00 C ATOM 61 C GLY A 7 -3.899 24.352 1.069 1.00 0.00 C ATOM 62 O GLY A 7 -4.122 23.681 2.078 1.00 0.00 O ATOM 0 H GLY A 7 -3.405 25.567 3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.577 26.363 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.871 26.132 0.475 1.00 0.00 H new ATOM 66 N PRO A 8 -3.838 23.804 -0.154 1.00 0.00 N ATOM 67 CA PRO A 8 -4.029 22.370 -0.389 1.00 0.00 C ATOM 68 C PRO A 8 -2.872 21.535 0.150 1.00 0.00 C ATOM 69 O PRO A 8 -1.916 22.070 0.711 1.00 0.00 O ATOM 70 CB PRO A 8 -4.096 22.267 -1.915 1.00 0.00 C ATOM 71 CG PRO A 8 -3.341 23.452 -2.409 1.00 0.00 C ATOM 72 CD PRO A 8 -3.576 24.543 -1.400 1.00 0.00 C ATOM 0 HA PRO A 8 -4.915 21.989 0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.650 21.338 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.127 22.280 -2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.278 23.227 -2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.689 23.753 -3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.709 25.196 -1.305 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.421 25.173 -1.679 1.00 0.00 H new ATOM 80 N SER A 9 -2.966 20.220 -0.024 1.00 0.00 N ATOM 81 CA SER A 9 -1.929 19.311 0.449 1.00 0.00 C ATOM 82 C SER A 9 -1.202 18.660 -0.724 1.00 0.00 C ATOM 83 O SER A 9 -1.795 18.400 -1.771 1.00 0.00 O ATOM 84 CB SER A 9 -2.537 18.234 1.349 1.00 0.00 C ATOM 85 OG SER A 9 -2.808 18.743 2.643 1.00 0.00 O ATOM 0 H SER A 9 -3.749 19.761 -0.489 1.00 0.00 H new ATOM 0 HA SER A 9 -1.207 19.890 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.458 17.860 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.852 17.389 1.423 1.00 0.00 H new ATOM 0 HG SER A 9 -2.116 18.438 3.266 1.00 0.00 H new ATOM 91 N LYS A 10 0.088 18.397 -0.541 1.00 0.00 N ATOM 92 CA LYS A 10 0.898 17.775 -1.581 1.00 0.00 C ATOM 93 C LYS A 10 1.734 16.634 -1.010 1.00 0.00 C ATOM 94 O LYS A 10 2.356 16.773 0.043 1.00 0.00 O ATOM 95 CB LYS A 10 1.812 18.814 -2.234 1.00 0.00 C ATOM 96 CG LYS A 10 1.156 19.569 -3.377 1.00 0.00 C ATOM 97 CD LYS A 10 0.313 20.727 -2.869 1.00 0.00 C ATOM 98 CE LYS A 10 1.149 21.983 -2.677 1.00 0.00 C ATOM 99 NZ LYS A 10 1.467 22.641 -3.974 1.00 0.00 N ATOM 0 H LYS A 10 0.595 18.605 0.319 1.00 0.00 H new ATOM 0 HA LYS A 10 0.225 17.367 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.136 19.528 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.707 18.316 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.923 19.946 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.530 18.887 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.492 20.929 -3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.154 20.451 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.612 22.683 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.075 21.728 -2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.888 23.575 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.141 22.053 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.595 22.755 -4.529 1.00 0.00 H new ATOM 113 N PHE A 11 1.745 15.506 -1.713 1.00 0.00 N ATOM 114 CA PHE A 11 2.505 14.341 -1.276 1.00 0.00 C ATOM 115 C PHE A 11 4.003 14.574 -1.446 1.00 0.00 C ATOM 116 O PHE A 11 4.447 15.110 -2.462 1.00 0.00 O ATOM 117 CB PHE A 11 2.077 13.101 -2.064 1.00 0.00 C ATOM 118 CG PHE A 11 0.625 12.756 -1.897 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.167 12.176 -0.725 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.283 13.012 -2.913 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.169 11.858 -0.568 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.620 12.696 -2.761 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.063 12.117 -1.588 1.00 0.00 C ATOM 0 H PHE A 11 1.236 15.374 -2.587 1.00 0.00 H new ATOM 0 HA PHE A 11 2.298 14.179 -0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.284 13.263 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.683 12.252 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.862 11.970 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.058 13.463 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.513 11.408 0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.318 12.902 -3.559 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.107 11.867 -1.469 1.00 0.00 H new ATOM 133 N ILE A 12 4.777 14.166 -0.445 1.00 0.00 N ATOM 134 CA ILE A 12 6.225 14.330 -0.484 1.00 0.00 C ATOM 135 C ILE A 12 6.912 13.040 -0.917 1.00 0.00 C ATOM 136 O ILE A 12 7.647 13.017 -1.904 1.00 0.00 O ATOM 137 CB ILE A 12 6.780 14.760 0.886 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.743 15.593 1.642 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.072 15.543 0.713 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.246 16.791 0.863 1.00 0.00 C ATOM 0 H ILE A 12 4.425 13.720 0.402 1.00 0.00 H new ATOM 0 HA ILE A 12 6.435 15.113 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 12 6.996 13.866 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.895 14.958 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.178 15.935 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.451 15.840 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.811 14.919 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.881 16.433 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.514 17.335 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.085 17.447 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.781 16.455 -0.064 1.00 0.00 H new ATOM 152 N GLU A 13 6.667 11.966 -0.172 1.00 0.00 N ATOM 153 CA GLU A 13 7.263 10.671 -0.479 1.00 0.00 C ATOM 154 C GLU A 13 6.610 10.051 -1.711 1.00 0.00 C ATOM 155 O GLU A 13 7.293 9.569 -2.613 1.00 0.00 O ATOM 156 CB GLU A 13 7.125 9.725 0.715 1.00 0.00 C ATOM 157 CG GLU A 13 8.238 8.694 0.807 1.00 0.00 C ATOM 158 CD GLU A 13 8.674 8.185 -0.553 1.00 0.00 C ATOM 159 OE1 GLU A 13 8.042 7.236 -1.062 1.00 0.00 O ATOM 160 OE2 GLU A 13 9.648 8.735 -1.108 1.00 0.00 O ATOM 0 H GLU A 13 6.060 11.967 0.648 1.00 0.00 H new ATOM 0 HA GLU A 13 8.321 10.827 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.109 10.312 1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.167 9.209 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.094 9.134 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.901 7.854 1.414 1.00 0.00 H new ATOM 167 N GLY A 14 5.280 10.068 -1.741 1.00 0.00 N ATOM 168 CA GLY A 14 4.556 9.504 -2.865 1.00 0.00 C ATOM 169 C GLY A 14 4.483 7.991 -2.808 1.00 0.00 C ATOM 170 O GLY A 14 5.511 7.312 -2.797 1.00 0.00 O ATOM 0 H GLY A 14 4.692 10.462 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.546 9.913 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.040 9.806 -3.794 1.00 0.00 H new ATOM 174 N LEU A 15 3.266 7.461 -2.769 1.00 0.00 N ATOM 175 CA LEU A 15 3.062 6.017 -2.711 1.00 0.00 C ATOM 176 C LEU A 15 4.047 5.291 -3.620 1.00 0.00 C ATOM 177 O LEU A 15 4.254 5.685 -4.768 1.00 0.00 O ATOM 178 CB LEU A 15 1.627 5.669 -3.112 1.00 0.00 C ATOM 179 CG LEU A 15 0.528 6.161 -2.170 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.845 5.863 -2.750 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.679 5.524 -0.796 1.00 0.00 C ATOM 0 H LEU A 15 2.405 8.009 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 15 3.235 5.691 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.438 6.080 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.547 4.585 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 15 0.626 7.241 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.614 6.220 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.951 6.367 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.955 4.788 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.112 5.886 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.607 4.440 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.649 5.789 -0.377 1.00 0.00 H new ATOM 193 N ARG A 16 4.651 4.227 -3.100 1.00 0.00 N ATOM 194 CA ARG A 16 5.614 3.444 -3.866 1.00 0.00 C ATOM 195 C ARG A 16 5.116 2.016 -4.067 1.00 0.00 C ATOM 196 O ARG A 16 4.129 1.601 -3.461 1.00 0.00 O ATOM 197 CB ARG A 16 6.969 3.429 -3.157 1.00 0.00 C ATOM 198 CG ARG A 16 6.941 2.735 -1.804 1.00 0.00 C ATOM 199 CD ARG A 16 8.100 3.179 -0.926 1.00 0.00 C ATOM 200 NE ARG A 16 9.382 2.686 -1.422 1.00 0.00 N ATOM 201 CZ ARG A 16 9.804 1.437 -1.254 1.00 0.00 C ATOM 202 NH1 ARG A 16 9.048 0.560 -0.607 1.00 0.00 N ATOM 203 NH2 ARG A 16 10.983 1.063 -1.735 1.00 0.00 N ATOM 0 H ARG A 16 4.491 3.887 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 16 5.729 3.911 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.698 2.931 -3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.311 4.455 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.998 2.953 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.984 1.655 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.124 4.268 -0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.943 2.820 0.091 1.00 0.00 H new ATOM 0 HE ARG A 16 9.987 3.336 -1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.141 0.844 -0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.374 -0.398 -0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.566 1.734 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.306 0.104 -1.605 1.00 0.00 H new ATOM 217 N ASN A 17 5.807 1.269 -4.923 1.00 0.00 N ATOM 218 CA ASN A 17 5.434 -0.112 -5.205 1.00 0.00 C ATOM 219 C ASN A 17 5.562 -0.976 -3.954 1.00 0.00 C ATOM 220 O ASN A 17 6.659 -1.398 -3.589 1.00 0.00 O ATOM 221 CB ASN A 17 6.311 -0.680 -6.323 1.00 0.00 C ATOM 222 CG ASN A 17 7.782 -0.687 -5.957 1.00 0.00 C ATOM 223 OD1 ASN A 17 8.284 0.252 -5.339 1.00 0.00 O ATOM 224 ND2 ASN A 17 8.482 -1.749 -6.339 1.00 0.00 N ATOM 0 H ASN A 17 6.627 1.597 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 17 4.393 -0.123 -5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.991 -1.697 -6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.168 -0.090 -7.229 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.477 -1.809 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.025 -2.504 -6.850 1.00 0.00 H new ATOM 231 N GLU A 18 4.433 -1.236 -3.303 1.00 0.00 N ATOM 232 CA GLU A 18 4.419 -2.050 -2.093 1.00 0.00 C ATOM 233 C GLU A 18 4.159 -3.516 -2.427 1.00 0.00 C ATOM 234 O GLU A 18 3.178 -3.846 -3.093 1.00 0.00 O ATOM 235 CB GLU A 18 3.355 -1.540 -1.120 1.00 0.00 C ATOM 236 CG GLU A 18 3.119 -2.463 0.064 1.00 0.00 C ATOM 237 CD GLU A 18 4.400 -2.808 0.798 1.00 0.00 C ATOM 238 OE1 GLU A 18 5.193 -1.884 1.076 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.609 -4.002 1.097 1.00 0.00 O ATOM 0 H GLU A 18 3.516 -0.895 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 18 5.399 -1.971 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.653 -0.559 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.417 -1.407 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.424 -1.989 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.645 -3.381 -0.284 1.00 0.00 H new ATOM 246 N GLU A 19 5.044 -4.390 -1.958 1.00 0.00 N ATOM 247 CA GLU A 19 4.910 -5.821 -2.208 1.00 0.00 C ATOM 248 C GLU A 19 4.691 -6.583 -0.904 1.00 0.00 C ATOM 249 O GLU A 19 5.448 -6.425 0.054 1.00 0.00 O ATOM 250 CB GLU A 19 6.153 -6.355 -2.921 1.00 0.00 C ATOM 251 CG GLU A 19 6.153 -7.864 -3.096 1.00 0.00 C ATOM 252 CD GLU A 19 7.425 -8.377 -3.744 1.00 0.00 C ATOM 253 OE1 GLU A 19 7.597 -8.164 -4.962 1.00 0.00 O ATOM 254 OE2 GLU A 19 8.248 -8.990 -3.032 1.00 0.00 O ATOM 0 H GLU A 19 5.861 -4.133 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 19 4.040 -5.972 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.230 -5.884 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.039 -6.063 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.029 -8.339 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.297 -8.155 -3.704 1.00 0.00 H new ATOM 261 N ALA A 20 3.651 -7.409 -0.875 1.00 0.00 N ATOM 262 CA ALA A 20 3.333 -8.196 0.310 1.00 0.00 C ATOM 263 C ALA A 20 2.909 -9.611 -0.069 1.00 0.00 C ATOM 264 O ALA A 20 2.935 -9.986 -1.242 1.00 0.00 O ATOM 265 CB ALA A 20 2.240 -7.514 1.119 1.00 0.00 C ATOM 0 H ALA A 20 3.014 -7.551 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 20 4.232 -8.266 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.013 -8.113 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.580 -6.526 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.343 -7.414 0.507 1.00 0.00 H new ATOM 271 N THR A 21 2.519 -10.395 0.931 1.00 0.00 N ATOM 272 CA THR A 21 2.091 -11.770 0.703 1.00 0.00 C ATOM 273 C THR A 21 0.602 -11.936 0.983 1.00 0.00 C ATOM 274 O THR A 21 0.069 -11.348 1.924 1.00 0.00 O ATOM 275 CB THR A 21 2.881 -12.757 1.583 1.00 0.00 C ATOM 276 OG1 THR A 21 4.287 -12.575 1.383 1.00 0.00 O ATOM 277 CG2 THR A 21 2.500 -14.194 1.260 1.00 0.00 C ATOM 0 H THR A 21 2.491 -10.101 1.907 1.00 0.00 H new ATOM 0 HA THR A 21 2.287 -11.993 -0.346 1.00 0.00 H new ATOM 0 HB THR A 21 2.634 -12.557 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.782 -13.205 1.947 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.071 -14.873 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.435 -14.337 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.721 -14.403 0.213 1.00 0.00 H new ATOM 285 N GLU A 22 -0.064 -12.741 0.162 1.00 0.00 N ATOM 286 CA GLU A 22 -1.493 -12.983 0.323 1.00 0.00 C ATOM 287 C GLU A 22 -1.832 -13.288 1.779 1.00 0.00 C ATOM 288 O GLU A 22 -0.971 -13.701 2.555 1.00 0.00 O ATOM 289 CB GLU A 22 -1.940 -14.143 -0.571 1.00 0.00 C ATOM 290 CG GLU A 22 -3.449 -14.297 -0.658 1.00 0.00 C ATOM 291 CD GLU A 22 -4.004 -15.216 0.413 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.623 -16.406 0.431 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.819 -14.746 1.234 1.00 0.00 O ATOM 0 H GLU A 22 0.362 -13.237 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.025 -12.079 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.540 -13.993 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.510 -15.070 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.916 -13.316 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.715 -14.688 -1.640 1.00 0.00 H new ATOM 300 N GLY A 23 -3.095 -13.082 2.142 1.00 0.00 N ATOM 301 CA GLY A 23 -3.526 -13.339 3.503 1.00 0.00 C ATOM 302 C GLY A 23 -3.087 -12.254 4.466 1.00 0.00 C ATOM 303 O GLY A 23 -3.877 -11.784 5.285 1.00 0.00 O ATOM 0 H GLY A 23 -3.826 -12.742 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.612 -13.423 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.125 -14.297 3.833 1.00 0.00 H new ATOM 307 N ASP A 24 -1.823 -11.855 4.368 1.00 0.00 N ATOM 308 CA ASP A 24 -1.279 -10.818 5.238 1.00 0.00 C ATOM 309 C ASP A 24 -2.101 -9.537 5.136 1.00 0.00 C ATOM 310 O ASP A 24 -3.129 -9.498 4.458 1.00 0.00 O ATOM 311 CB ASP A 24 0.179 -10.533 4.876 1.00 0.00 C ATOM 312 CG ASP A 24 1.071 -11.744 5.068 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.938 -12.709 4.286 1.00 0.00 O ATOM 314 OD2 ASP A 24 1.902 -11.727 6.000 1.00 0.00 O ATOM 0 H ASP A 24 -1.156 -12.234 3.695 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.327 -11.178 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.235 -10.205 3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.549 -9.712 5.490 1.00 0.00 H new ATOM 319 N THR A 25 -1.643 -8.490 5.815 1.00 0.00 N ATOM 320 CA THR A 25 -2.337 -7.209 5.803 1.00 0.00 C ATOM 321 C THR A 25 -1.437 -6.102 5.266 1.00 0.00 C ATOM 322 O THR A 25 -0.496 -5.675 5.935 1.00 0.00 O ATOM 323 CB THR A 25 -2.824 -6.821 7.212 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.884 -7.692 7.621 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.307 -5.378 7.239 1.00 0.00 C ATOM 0 H THR A 25 -0.794 -8.504 6.380 1.00 0.00 H new ATOM 0 HA THR A 25 -3.200 -7.323 5.147 1.00 0.00 H new ATOM 0 HB THR A 25 -1.986 -6.920 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.972 -7.665 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.646 -5.127 8.244 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.489 -4.715 6.955 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.132 -5.257 6.537 1.00 0.00 H new ATOM 333 N ALA A 26 -1.732 -5.640 4.055 1.00 0.00 N ATOM 334 CA ALA A 26 -0.951 -4.581 3.430 1.00 0.00 C ATOM 335 C ALA A 26 -1.086 -3.271 4.200 1.00 0.00 C ATOM 336 O ALA A 26 -2.186 -2.879 4.592 1.00 0.00 O ATOM 337 CB ALA A 26 -1.382 -4.391 1.983 1.00 0.00 C ATOM 0 H ALA A 26 -2.507 -5.983 3.488 1.00 0.00 H new ATOM 0 HA ALA A 26 0.098 -4.877 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.790 -3.597 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.228 -5.319 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.438 -4.121 1.950 1.00 0.00 H new ATOM 343 N THR A 27 0.040 -2.598 4.416 1.00 0.00 N ATOM 344 CA THR A 27 0.047 -1.334 5.142 1.00 0.00 C ATOM 345 C THR A 27 0.835 -0.271 4.385 1.00 0.00 C ATOM 346 O THR A 27 2.066 -0.249 4.426 1.00 0.00 O ATOM 347 CB THR A 27 0.650 -1.498 6.550 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.087 -2.481 7.287 1.00 0.00 O ATOM 349 CG2 THR A 27 0.634 -0.176 7.302 1.00 0.00 C ATOM 0 H THR A 27 0.959 -2.907 4.099 1.00 0.00 H new ATOM 0 HA THR A 27 -0.992 -1.016 5.235 1.00 0.00 H new ATOM 0 HB THR A 27 1.684 -1.825 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.303 -2.581 8.180 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.065 -0.316 8.294 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.219 0.562 6.753 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.393 0.175 7.399 1.00 0.00 H new ATOM 357 N LEU A 28 0.119 0.610 3.695 1.00 0.00 N ATOM 358 CA LEU A 28 0.752 1.678 2.929 1.00 0.00 C ATOM 359 C LEU A 28 0.844 2.958 3.753 1.00 0.00 C ATOM 360 O LEU A 28 0.061 3.169 4.679 1.00 0.00 O ATOM 361 CB LEU A 28 -0.031 1.942 1.641 1.00 0.00 C ATOM 362 CG LEU A 28 0.170 0.929 0.514 1.00 0.00 C ATOM 363 CD1 LEU A 28 -1.084 0.824 -0.340 1.00 0.00 C ATOM 364 CD2 LEU A 28 1.369 1.313 -0.341 1.00 0.00 C ATOM 0 H LEU A 28 -0.900 0.606 3.650 1.00 0.00 H new ATOM 0 HA LEU A 28 1.762 1.359 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.093 1.977 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.243 2.929 1.269 1.00 0.00 H new ATOM 0 HG LEU A 28 0.364 -0.047 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.922 0.098 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.920 0.501 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.310 1.797 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.497 0.581 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.205 2.299 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.266 1.335 0.279 1.00 0.00 H new ATOM 376 N TRP A 29 1.803 3.809 3.408 1.00 0.00 N ATOM 377 CA TRP A 29 1.996 5.071 4.115 1.00 0.00 C ATOM 378 C TRP A 29 2.608 6.122 3.196 1.00 0.00 C ATOM 379 O TRP A 29 3.358 5.793 2.275 1.00 0.00 O ATOM 380 CB TRP A 29 2.890 4.862 5.338 1.00 0.00 C ATOM 381 CG TRP A 29 4.352 4.832 5.008 1.00 0.00 C ATOM 382 CD1 TRP A 29 5.143 3.725 4.891 1.00 0.00 C ATOM 383 CD2 TRP A 29 5.196 5.960 4.753 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.429 4.097 4.579 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.487 5.463 4.488 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.986 7.341 4.721 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.561 6.299 4.197 1.00 0.00 C ATOM 388 CZ3 TRP A 29 6.054 8.170 4.432 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.328 7.647 4.172 1.00 0.00 C ATOM 0 H TRP A 29 2.459 3.649 2.644 1.00 0.00 H new ATOM 0 HA TRP A 29 1.020 5.428 4.444 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.703 5.661 6.056 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.615 3.926 5.824 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.808 2.707 5.024 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.213 3.460 4.438 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.007 7.753 4.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.544 5.898 3.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.904 9.239 4.406 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.141 8.321 3.948 1.00 0.00 H new ATOM 400 N CYS A 30 2.285 7.384 3.450 1.00 0.00 N ATOM 401 CA CYS A 30 2.803 8.484 2.644 1.00 0.00 C ATOM 402 C CYS A 30 2.890 9.766 3.465 1.00 0.00 C ATOM 403 O CYS A 30 2.131 9.959 4.414 1.00 0.00 O ATOM 404 CB CYS A 30 1.916 8.708 1.418 1.00 0.00 C ATOM 405 SG CYS A 30 0.298 9.419 1.798 1.00 0.00 S ATOM 0 H CYS A 30 1.666 7.672 4.208 1.00 0.00 H new ATOM 0 HA CYS A 30 3.807 8.217 2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.436 9.366 0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.772 7.755 0.908 1.00 0.00 H new ATOM 0 HG CYS A 30 0.004 10.326 0.914 1.00 0.00 H new ATOM 411 N GLU A 31 3.822 10.639 3.094 1.00 0.00 N ATOM 412 CA GLU A 31 4.010 11.901 3.799 1.00 0.00 C ATOM 413 C GLU A 31 3.145 13.000 3.186 1.00 0.00 C ATOM 414 O GLU A 31 2.727 12.905 2.031 1.00 0.00 O ATOM 415 CB GLU A 31 5.482 12.317 3.763 1.00 0.00 C ATOM 416 CG GLU A 31 5.908 13.148 4.962 1.00 0.00 C ATOM 417 CD GLU A 31 6.305 12.296 6.152 1.00 0.00 C ATOM 418 OE1 GLU A 31 6.654 11.115 5.944 1.00 0.00 O ATOM 419 OE2 GLU A 31 6.265 12.809 7.289 1.00 0.00 O ATOM 0 H GLU A 31 4.458 10.495 2.310 1.00 0.00 H new ATOM 0 HA GLU A 31 3.706 11.757 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.103 11.422 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.668 12.886 2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.747 13.783 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.091 13.809 5.250 1.00 0.00 H new ATOM 426 N LEU A 32 2.880 14.041 3.968 1.00 0.00 N ATOM 427 CA LEU A 32 2.065 15.158 3.504 1.00 0.00 C ATOM 428 C LEU A 32 2.726 16.491 3.839 1.00 0.00 C ATOM 429 O LEU A 32 3.201 16.696 4.955 1.00 0.00 O ATOM 430 CB LEU A 32 0.672 15.094 4.134 1.00 0.00 C ATOM 431 CG LEU A 32 -0.468 15.681 3.301 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.682 14.863 2.037 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.749 15.744 4.121 1.00 0.00 C ATOM 0 H LEU A 32 3.218 14.135 4.926 1.00 0.00 H new ATOM 0 HA LEU A 32 1.972 15.082 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.439 14.051 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.703 15.616 5.090 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.195 16.696 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.497 15.296 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.231 14.869 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.933 13.837 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.550 16.164 3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.026 14.740 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.590 16.373 4.997 1.00 0.00 H new ATOM 445 N SER A 33 2.752 17.394 2.864 1.00 0.00 N ATOM 446 CA SER A 33 3.357 18.707 3.054 1.00 0.00 C ATOM 447 C SER A 33 2.446 19.610 3.882 1.00 0.00 C ATOM 448 O SER A 33 2.889 20.612 4.442 1.00 0.00 O ATOM 449 CB SER A 33 3.646 19.359 1.701 1.00 0.00 C ATOM 450 OG SER A 33 3.589 20.772 1.793 1.00 0.00 O ATOM 0 H SER A 33 2.361 17.240 1.934 1.00 0.00 H new ATOM 0 HA SER A 33 4.295 18.573 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.632 19.054 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.923 19.010 0.964 1.00 0.00 H new ATOM 0 HG SER A 33 3.779 21.165 0.915 1.00 0.00 H new ATOM 456 N LYS A 34 1.171 19.246 3.955 1.00 0.00 N ATOM 457 CA LYS A 34 0.196 20.020 4.714 1.00 0.00 C ATOM 458 C LYS A 34 -0.768 19.101 5.458 1.00 0.00 C ATOM 459 O LYS A 34 -1.368 18.205 4.865 1.00 0.00 O ATOM 460 CB LYS A 34 -0.586 20.949 3.783 1.00 0.00 C ATOM 461 CG LYS A 34 -1.773 21.621 4.450 1.00 0.00 C ATOM 462 CD LYS A 34 -1.363 22.902 5.158 1.00 0.00 C ATOM 463 CE LYS A 34 -0.942 22.634 6.595 1.00 0.00 C ATOM 464 NZ LYS A 34 -0.721 23.897 7.352 1.00 0.00 N ATOM 0 H LYS A 34 0.788 18.419 3.497 1.00 0.00 H new ATOM 0 HA LYS A 34 0.737 20.620 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.087 21.716 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.938 20.377 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.533 21.845 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.224 20.936 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.540 23.370 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.194 23.607 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.709 22.041 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.027 22.042 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.435 23.672 8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.028 24.452 6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.601 24.451 7.368 1.00 0.00 H new ATOM 478 N ALA A 35 -0.911 19.330 6.759 1.00 0.00 N ATOM 479 CA ALA A 35 -1.805 18.525 7.583 1.00 0.00 C ATOM 480 C ALA A 35 -3.253 18.672 7.127 1.00 0.00 C ATOM 481 O ALA A 35 -3.940 19.619 7.508 1.00 0.00 O ATOM 482 CB ALA A 35 -1.668 18.915 9.047 1.00 0.00 C ATOM 0 H ALA A 35 -0.419 20.066 7.265 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.520 17.479 7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.341 18.306 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.641 18.751 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.924 19.968 9.169 1.00 0.00 H new ATOM 488 N ALA A 36 -3.709 17.729 6.310 1.00 0.00 N ATOM 489 CA ALA A 36 -5.076 17.753 5.803 1.00 0.00 C ATOM 490 C ALA A 36 -5.644 16.343 5.689 1.00 0.00 C ATOM 491 O ALA A 36 -4.911 15.359 5.580 1.00 0.00 O ATOM 492 CB ALA A 36 -5.127 18.456 4.455 1.00 0.00 C ATOM 0 H ALA A 36 -3.152 16.939 5.985 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.691 18.307 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.154 18.466 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.771 19.480 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.493 17.926 3.744 1.00 0.00 H new ATOM 498 N PRO A 37 -6.981 16.239 5.713 1.00 0.00 N ATOM 499 CA PRO A 37 -7.677 14.952 5.613 1.00 0.00 C ATOM 500 C PRO A 37 -7.557 14.334 4.225 1.00 0.00 C ATOM 501 O PRO A 37 -8.226 14.762 3.284 1.00 0.00 O ATOM 502 CB PRO A 37 -9.134 15.313 5.914 1.00 0.00 C ATOM 503 CG PRO A 37 -9.254 16.750 5.540 1.00 0.00 C ATOM 504 CD PRO A 37 -7.917 17.369 5.840 1.00 0.00 C ATOM 0 HA PRO A 37 -7.259 14.209 6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.822 14.695 5.337 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.371 15.157 6.966 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.507 16.859 4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.046 17.237 6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.678 18.169 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.890 17.802 6.840 1.00 0.00 H new ATOM 512 N VAL A 38 -6.700 13.325 4.103 1.00 0.00 N ATOM 513 CA VAL A 38 -6.493 12.647 2.829 1.00 0.00 C ATOM 514 C VAL A 38 -7.526 11.546 2.619 1.00 0.00 C ATOM 515 O VAL A 38 -8.347 11.276 3.495 1.00 0.00 O ATOM 516 CB VAL A 38 -5.082 12.036 2.740 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.024 13.098 2.998 1.00 0.00 C ATOM 518 CG2 VAL A 38 -4.940 10.881 3.720 1.00 0.00 C ATOM 0 H VAL A 38 -6.138 12.959 4.871 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.604 13.400 2.048 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.935 11.648 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.033 12.648 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.114 13.890 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.165 13.518 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.937 10.461 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.106 11.242 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.675 10.111 3.484 1.00 0.00 H new ATOM 528 N GLU A 39 -7.479 10.913 1.451 1.00 0.00 N ATOM 529 CA GLU A 39 -8.411 9.840 1.126 1.00 0.00 C ATOM 530 C GLU A 39 -7.747 8.792 0.237 1.00 0.00 C ATOM 531 O GLU A 39 -7.051 9.128 -0.721 1.00 0.00 O ATOM 532 CB GLU A 39 -9.650 10.405 0.428 1.00 0.00 C ATOM 533 CG GLU A 39 -10.748 9.377 0.210 1.00 0.00 C ATOM 534 CD GLU A 39 -11.656 9.228 1.415 1.00 0.00 C ATOM 535 OE1 GLU A 39 -11.184 8.719 2.453 1.00 0.00 O ATOM 536 OE2 GLU A 39 -12.838 9.620 1.321 1.00 0.00 O ATOM 0 H GLU A 39 -6.806 11.125 0.715 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.713 9.362 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.047 11.228 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.356 10.820 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.344 9.666 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.296 8.412 -0.021 1.00 0.00 H new ATOM 543 N TRP A 40 -7.968 7.524 0.562 1.00 0.00 N ATOM 544 CA TRP A 40 -7.391 6.427 -0.206 1.00 0.00 C ATOM 545 C TRP A 40 -8.426 5.814 -1.143 1.00 0.00 C ATOM 546 O TRP A 40 -9.611 5.751 -0.817 1.00 0.00 O ATOM 547 CB TRP A 40 -6.837 5.354 0.734 1.00 0.00 C ATOM 548 CG TRP A 40 -5.757 5.860 1.641 1.00 0.00 C ATOM 549 CD1 TRP A 40 -5.905 6.722 2.690 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.364 5.535 1.579 1.00 0.00 C ATOM 551 NE1 TRP A 40 -4.688 6.954 3.284 1.00 0.00 N ATOM 552 CE2 TRP A 40 -3.727 6.236 2.622 1.00 0.00 C ATOM 553 CE3 TRP A 40 -3.594 4.719 0.747 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.356 6.145 2.850 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.234 4.630 0.974 1.00 0.00 C ATOM 556 CH2 TRP A 40 -1.626 5.339 2.019 1.00 0.00 C ATOM 0 H TRP A 40 -8.542 7.230 1.352 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.576 6.828 -0.808 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.652 4.955 1.338 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.446 4.528 0.140 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.841 7.157 3.006 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.526 7.562 4.087 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.054 4.167 -0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.886 6.691 3.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.629 4.003 0.335 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.561 5.248 2.171 1.00 0.00 H new ATOM 567 N ARG A 41 -7.971 5.364 -2.308 1.00 0.00 N ATOM 568 CA ARG A 41 -8.859 4.757 -3.292 1.00 0.00 C ATOM 569 C ARG A 41 -8.233 3.499 -3.887 1.00 0.00 C ATOM 570 O ARG A 41 -7.012 3.344 -3.894 1.00 0.00 O ATOM 571 CB ARG A 41 -9.180 5.756 -4.406 1.00 0.00 C ATOM 572 CG ARG A 41 -9.927 6.988 -3.922 1.00 0.00 C ATOM 573 CD ARG A 41 -10.408 7.840 -5.086 1.00 0.00 C ATOM 574 NE ARG A 41 -10.967 9.113 -4.639 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.176 10.148 -5.445 1.00 0.00 C ATOM 576 NH1 ARG A 41 -10.873 10.061 -6.733 1.00 0.00 N ATOM 577 NH2 ARG A 41 -11.688 11.273 -4.963 1.00 0.00 N ATOM 0 H ARG A 41 -6.993 5.408 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.783 4.478 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.250 6.069 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.776 5.257 -5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.780 6.683 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.276 7.581 -3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.577 8.028 -5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.162 7.291 -5.650 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.210 9.213 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.479 9.198 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.034 10.857 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.922 11.344 -3.973 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.848 12.067 -5.583 1.00 0.00 H new ATOM 591 N LYS A 42 -9.078 2.603 -4.385 1.00 0.00 N ATOM 592 CA LYS A 42 -8.610 1.358 -4.983 1.00 0.00 C ATOM 593 C LYS A 42 -9.276 1.119 -6.334 1.00 0.00 C ATOM 594 O LYS A 42 -10.356 0.533 -6.409 1.00 0.00 O ATOM 595 CB LYS A 42 -8.892 0.181 -4.047 1.00 0.00 C ATOM 596 CG LYS A 42 -8.702 -1.176 -4.702 1.00 0.00 C ATOM 597 CD LYS A 42 -8.837 -2.306 -3.695 1.00 0.00 C ATOM 598 CE LYS A 42 -8.903 -3.661 -4.383 1.00 0.00 C ATOM 599 NZ LYS A 42 -7.981 -3.736 -5.550 1.00 0.00 N ATOM 0 H LYS A 42 -10.092 2.716 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.534 1.441 -5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.235 0.252 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.915 0.257 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.439 -1.304 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.719 -1.220 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.990 -2.286 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.736 -2.156 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.649 -4.444 -3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.924 -3.851 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.888 -4.726 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.364 -3.167 -6.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.047 -3.368 -5.279 1.00 0.00 H new ATOM 613 N GLY A 43 -8.625 1.575 -7.399 1.00 0.00 N ATOM 614 CA GLY A 43 -9.170 1.399 -8.733 1.00 0.00 C ATOM 615 C GLY A 43 -10.420 2.226 -8.962 1.00 0.00 C ATOM 616 O GLY A 43 -10.374 3.456 -8.934 1.00 0.00 O ATOM 0 H GLY A 43 -7.730 2.063 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.416 1.675 -9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.401 0.346 -8.892 1.00 0.00 H new ATOM 620 N HIS A 44 -11.541 1.549 -9.192 1.00 0.00 N ATOM 621 CA HIS A 44 -12.810 2.229 -9.429 1.00 0.00 C ATOM 622 C HIS A 44 -13.654 2.261 -8.158 1.00 0.00 C ATOM 623 O HIS A 44 -14.836 1.919 -8.179 1.00 0.00 O ATOM 624 CB HIS A 44 -13.582 1.537 -10.551 1.00 0.00 C ATOM 625 CG HIS A 44 -14.473 2.460 -11.324 1.00 0.00 C ATOM 626 ND1 HIS A 44 -15.692 2.073 -11.840 1.00 0.00 N ATOM 627 CD2 HIS A 44 -14.318 3.761 -11.665 1.00 0.00 C ATOM 628 CE1 HIS A 44 -16.247 3.095 -12.467 1.00 0.00 C ATOM 629 NE2 HIS A 44 -15.433 4.132 -12.375 1.00 0.00 N ATOM 0 H HIS A 44 -11.596 0.531 -9.219 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.594 3.255 -9.727 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.873 1.072 -11.236 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.185 0.735 -10.125 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -13.474 4.390 -11.423 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -17.203 3.085 -12.969 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -15.605 5.058 -12.768 1.00 0.00 H new ATOM 638 N GLU A 45 -13.039 2.674 -7.054 1.00 0.00 N ATOM 639 CA GLU A 45 -13.735 2.748 -5.775 1.00 0.00 C ATOM 640 C GLU A 45 -12.904 3.511 -4.747 1.00 0.00 C ATOM 641 O GLU A 45 -11.686 3.632 -4.882 1.00 0.00 O ATOM 642 CB GLU A 45 -14.044 1.343 -5.255 1.00 0.00 C ATOM 643 CG GLU A 45 -15.246 1.288 -4.328 1.00 0.00 C ATOM 644 CD GLU A 45 -15.888 -0.085 -4.285 1.00 0.00 C ATOM 645 OE1 GLU A 45 -15.155 -1.088 -4.417 1.00 0.00 O ATOM 646 OE2 GLU A 45 -17.124 -0.157 -4.120 1.00 0.00 O ATOM 0 H GLU A 45 -12.061 2.962 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.671 3.284 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.219 0.681 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.171 0.960 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.937 1.572 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.985 2.020 -4.654 1.00 0.00 H new ATOM 653 N THR A 46 -13.572 4.026 -3.720 1.00 0.00 N ATOM 654 CA THR A 46 -12.897 4.779 -2.670 1.00 0.00 C ATOM 655 C THR A 46 -12.915 4.018 -1.349 1.00 0.00 C ATOM 656 O THR A 46 -13.981 3.698 -0.820 1.00 0.00 O ATOM 657 CB THR A 46 -13.548 6.160 -2.462 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.741 6.805 -3.726 1.00 0.00 O ATOM 659 CG2 THR A 46 -12.684 7.036 -1.567 1.00 0.00 C ATOM 0 H THR A 46 -14.580 3.936 -3.593 1.00 0.00 H new ATOM 0 HA THR A 46 -11.865 4.916 -2.993 1.00 0.00 H new ATOM 0 HB THR A 46 -14.513 6.013 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.157 7.681 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.164 8.006 -1.434 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.562 6.556 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.706 7.175 -2.028 1.00 0.00 H new ATOM 667 N LEU A 47 -11.731 3.731 -0.821 1.00 0.00 N ATOM 668 CA LEU A 47 -11.610 3.007 0.440 1.00 0.00 C ATOM 669 C LEU A 47 -12.237 3.798 1.584 1.00 0.00 C ATOM 670 O LEU A 47 -12.312 5.026 1.534 1.00 0.00 O ATOM 671 CB LEU A 47 -10.139 2.722 0.748 1.00 0.00 C ATOM 672 CG LEU A 47 -9.398 1.851 -0.266 1.00 0.00 C ATOM 673 CD1 LEU A 47 -7.900 1.885 -0.006 1.00 0.00 C ATOM 674 CD2 LEU A 47 -9.916 0.421 -0.222 1.00 0.00 C ATOM 0 H LEU A 47 -10.840 3.988 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.144 2.062 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.615 3.674 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.080 2.239 1.724 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.582 2.252 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.389 1.259 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.539 2.910 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.696 1.510 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.377 -0.184 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.763 0.009 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.980 0.412 -0.459 1.00 0.00 H new ATOM 686 N ARG A 48 -12.684 3.087 2.614 1.00 0.00 N ATOM 687 CA ARG A 48 -13.303 3.722 3.770 1.00 0.00 C ATOM 688 C ARG A 48 -13.131 2.863 5.020 1.00 0.00 C ATOM 689 O ARG A 48 -13.223 1.637 4.959 1.00 0.00 O ATOM 690 CB ARG A 48 -14.790 3.969 3.509 1.00 0.00 C ATOM 691 CG ARG A 48 -15.055 4.935 2.366 1.00 0.00 C ATOM 692 CD ARG A 48 -16.512 5.367 2.328 1.00 0.00 C ATOM 693 NE ARG A 48 -16.857 6.229 3.455 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.055 6.780 3.620 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.017 6.558 2.736 1.00 0.00 N ATOM 696 NH2 ARG A 48 -18.291 7.553 4.672 1.00 0.00 N ATOM 0 H ARG A 48 -12.629 2.070 2.671 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.807 4.678 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.275 3.018 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.250 4.359 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.417 5.812 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.790 4.463 1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.709 5.894 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.152 4.485 2.337 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.139 6.419 4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.839 5.963 1.927 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.936 6.982 2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.553 7.725 5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.211 7.976 4.798 1.00 0.00 H new ATOM 710 N ASP A 49 -12.880 3.515 6.150 1.00 0.00 N ATOM 711 CA ASP A 49 -12.696 2.811 7.413 1.00 0.00 C ATOM 712 C ASP A 49 -14.000 2.167 7.872 1.00 0.00 C ATOM 713 O ASP A 49 -15.030 2.832 7.976 1.00 0.00 O ATOM 714 CB ASP A 49 -12.182 3.772 8.487 1.00 0.00 C ATOM 715 CG ASP A 49 -13.254 4.732 8.965 1.00 0.00 C ATOM 716 OD1 ASP A 49 -13.617 5.646 8.195 1.00 0.00 O ATOM 717 OD2 ASP A 49 -13.729 4.570 10.108 1.00 0.00 O ATOM 0 H ASP A 49 -12.799 4.530 6.217 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.958 2.024 7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.808 3.198 9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.341 4.340 8.090 1.00 0.00 H new ATOM 722 N GLY A 50 -13.949 0.866 8.145 1.00 0.00 N ATOM 723 CA GLY A 50 -15.133 0.154 8.588 1.00 0.00 C ATOM 724 C GLY A 50 -14.808 -0.961 9.563 1.00 0.00 C ATOM 725 O GLY A 50 -14.896 -0.777 10.777 1.00 0.00 O ATOM 0 H GLY A 50 -13.109 0.293 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.820 0.856 9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.648 -0.263 7.722 1.00 0.00 H new ATOM 729 N ASP A 51 -14.433 -2.119 9.031 1.00 0.00 N ATOM 730 CA ASP A 51 -14.094 -3.268 9.863 1.00 0.00 C ATOM 731 C ASP A 51 -12.668 -3.734 9.591 1.00 0.00 C ATOM 732 O ASP A 51 -11.856 -3.848 10.509 1.00 0.00 O ATOM 733 CB ASP A 51 -15.075 -4.414 9.611 1.00 0.00 C ATOM 734 CG ASP A 51 -14.906 -5.029 8.235 1.00 0.00 C ATOM 735 OD1 ASP A 51 -14.954 -4.277 7.240 1.00 0.00 O ATOM 736 OD2 ASP A 51 -14.726 -6.262 8.155 1.00 0.00 O ATOM 0 H ASP A 51 -14.356 -2.287 8.028 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.164 -2.963 10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.933 -5.184 10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -16.095 -4.045 9.718 1.00 0.00 H new ATOM 741 N ARG A 52 -12.370 -4.003 8.324 1.00 0.00 N ATOM 742 CA ARG A 52 -11.042 -4.459 7.931 1.00 0.00 C ATOM 743 C ARG A 52 -10.166 -3.284 7.507 1.00 0.00 C ATOM 744 O ARG A 52 -9.029 -3.148 7.960 1.00 0.00 O ATOM 745 CB ARG A 52 -11.144 -5.471 6.788 1.00 0.00 C ATOM 746 CG ARG A 52 -11.262 -6.912 7.259 1.00 0.00 C ATOM 747 CD ARG A 52 -12.037 -7.761 6.264 1.00 0.00 C ATOM 748 NE ARG A 52 -11.246 -8.072 5.077 1.00 0.00 N ATOM 749 CZ ARG A 52 -11.674 -8.855 4.093 1.00 0.00 C ATOM 750 NH1 ARG A 52 -12.879 -9.404 4.155 1.00 0.00 N ATOM 751 NH2 ARG A 52 -10.895 -9.091 3.045 1.00 0.00 N ATOM 0 H ARG A 52 -13.030 -3.913 7.552 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.581 -4.940 8.794 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.010 -5.226 6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.265 -5.377 6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.266 -7.333 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.760 -6.940 8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.349 -8.688 6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.944 -7.234 5.967 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.314 -7.666 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.480 -9.226 4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.205 -10.005 3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.967 -8.671 2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.224 -9.692 2.290 1.00 0.00 H new ATOM 765 N HIS A 53 -10.704 -2.436 6.635 1.00 0.00 N ATOM 766 CA HIS A 53 -9.972 -1.272 6.150 1.00 0.00 C ATOM 767 C HIS A 53 -9.727 -0.275 7.279 1.00 0.00 C ATOM 768 O HIS A 53 -10.601 -0.041 8.114 1.00 0.00 O ATOM 769 CB HIS A 53 -10.741 -0.596 5.015 1.00 0.00 C ATOM 770 CG HIS A 53 -10.853 -1.440 3.782 1.00 0.00 C ATOM 771 ND1 HIS A 53 -10.020 -1.576 2.724 1.00 0.00 N flip ATOM 772 CD2 HIS A 53 -11.925 -2.271 3.534 1.00 0.00 C flip ATOM 773 CE1 HIS A 53 -10.598 -2.479 1.865 1.00 0.00 C flip ATOM 774 NE2 HIS A 53 -11.746 -2.883 2.377 1.00 0.00 N flip ATOM 0 H HIS A 53 -11.644 -2.534 6.250 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.007 -1.612 5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.742 -0.344 5.365 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.247 0.342 4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.778 -2.401 4.184 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.181 -2.805 0.924 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.386 -3.554 1.952 1.00 0.00 H new ATOM 783 N SER A 54 -8.534 0.310 7.297 1.00 0.00 N ATOM 784 CA SER A 54 -8.172 1.278 8.326 1.00 0.00 C ATOM 785 C SER A 54 -7.534 2.517 7.705 1.00 0.00 C ATOM 786 O SER A 54 -6.346 2.521 7.380 1.00 0.00 O ATOM 787 CB SER A 54 -7.212 0.647 9.336 1.00 0.00 C ATOM 788 OG SER A 54 -7.651 -0.645 9.719 1.00 0.00 O ATOM 0 H SER A 54 -7.801 0.131 6.611 1.00 0.00 H new ATOM 0 HA SER A 54 -9.083 1.580 8.843 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.214 0.582 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.135 1.284 10.217 1.00 0.00 H new ATOM 0 HG SER A 54 -7.020 -1.027 10.364 1.00 0.00 H new ATOM 794 N LEU A 55 -8.331 3.568 7.544 1.00 0.00 N ATOM 795 CA LEU A 55 -7.845 4.814 6.963 1.00 0.00 C ATOM 796 C LEU A 55 -7.660 5.881 8.038 1.00 0.00 C ATOM 797 O LEU A 55 -8.632 6.390 8.594 1.00 0.00 O ATOM 798 CB LEU A 55 -8.818 5.315 5.894 1.00 0.00 C ATOM 799 CG LEU A 55 -8.970 4.429 4.657 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.081 3.411 4.863 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.244 5.277 3.424 1.00 0.00 C ATOM 0 H LEU A 55 -9.316 3.582 7.808 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.877 4.617 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.799 5.436 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.493 6.304 5.570 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.035 3.890 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.175 2.789 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.844 2.782 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.022 3.931 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.349 4.630 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.164 5.843 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.415 5.967 3.265 1.00 0.00 H new ATOM 813 N ARG A 56 -6.406 6.215 8.322 1.00 0.00 N ATOM 814 CA ARG A 56 -6.093 7.221 9.330 1.00 0.00 C ATOM 815 C ARG A 56 -4.819 7.978 8.965 1.00 0.00 C ATOM 816 O ARG A 56 -4.051 7.542 8.107 1.00 0.00 O ATOM 817 CB ARG A 56 -5.935 6.567 10.703 1.00 0.00 C ATOM 818 CG ARG A 56 -5.252 5.210 10.657 1.00 0.00 C ATOM 819 CD ARG A 56 -5.005 4.663 12.054 1.00 0.00 C ATOM 820 NE ARG A 56 -4.192 5.569 12.861 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.693 6.586 13.554 1.00 0.00 C ATOM 822 NH1 ARG A 56 -5.998 6.824 13.539 1.00 0.00 N ATOM 823 NH2 ARG A 56 -3.889 7.366 14.264 1.00 0.00 N ATOM 0 H ARG A 56 -5.590 5.804 7.869 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.919 7.931 9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.361 7.232 11.348 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.919 6.454 11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.870 4.510 10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.304 5.296 10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.960 4.493 12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.507 3.696 11.982 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.185 5.413 12.894 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.619 6.226 12.995 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.380 7.605 14.072 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.885 7.185 14.278 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.274 8.146 14.796 1.00 0.00 H new ATOM 837 N GLN A 57 -4.602 9.112 9.622 1.00 0.00 N ATOM 838 CA GLN A 57 -3.421 9.929 9.366 1.00 0.00 C ATOM 839 C GLN A 57 -3.054 10.755 10.594 1.00 0.00 C ATOM 840 O GLN A 57 -3.921 11.348 11.237 1.00 0.00 O ATOM 841 CB GLN A 57 -3.663 10.852 8.170 1.00 0.00 C ATOM 842 CG GLN A 57 -4.253 12.200 8.551 1.00 0.00 C ATOM 843 CD GLN A 57 -4.378 13.138 7.367 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.301 13.019 6.561 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.447 14.078 7.255 1.00 0.00 N ATOM 0 H GLN A 57 -5.228 9.486 10.335 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.590 9.261 9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.719 11.012 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.334 10.356 7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.237 12.049 8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.627 12.664 9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.699 14.140 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.479 14.738 6.478 1.00 0.00 H new ATOM 854 N ASP A 58 -1.765 10.790 10.914 1.00 0.00 N ATOM 855 CA ASP A 58 -1.283 11.544 12.065 1.00 0.00 C ATOM 856 C ASP A 58 -0.511 12.782 11.619 1.00 0.00 C ATOM 857 O ASP A 58 0.403 12.694 10.800 1.00 0.00 O ATOM 858 CB ASP A 58 -0.394 10.662 12.944 1.00 0.00 C ATOM 859 CG ASP A 58 -0.417 11.085 14.399 1.00 0.00 C ATOM 860 OD1 ASP A 58 -1.429 10.815 15.080 1.00 0.00 O ATOM 861 OD2 ASP A 58 0.577 11.685 14.858 1.00 0.00 O ATOM 0 H ASP A 58 -1.035 10.305 10.392 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.148 11.867 12.645 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.723 9.626 12.865 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.630 10.700 12.574 1.00 0.00 H new ATOM 866 N GLY A 59 -0.886 13.935 12.164 1.00 0.00 N ATOM 867 CA GLY A 59 -0.220 15.175 11.809 1.00 0.00 C ATOM 868 C GLY A 59 -0.105 15.362 10.309 1.00 0.00 C ATOM 869 O GLY A 59 -1.032 15.851 9.665 1.00 0.00 O ATOM 0 H GLY A 59 -1.639 14.033 12.845 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.770 16.014 12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.776 15.188 12.251 1.00 0.00 H new ATOM 873 N SER A 60 1.038 14.974 9.751 1.00 0.00 N ATOM 874 CA SER A 60 1.273 15.107 8.319 1.00 0.00 C ATOM 875 C SER A 60 1.672 13.767 7.707 1.00 0.00 C ATOM 876 O SER A 60 2.459 13.714 6.761 1.00 0.00 O ATOM 877 CB SER A 60 2.364 16.146 8.054 1.00 0.00 C ATOM 878 OG SER A 60 2.050 17.383 8.670 1.00 0.00 O ATOM 0 H SER A 60 1.815 14.565 10.270 1.00 0.00 H new ATOM 0 HA SER A 60 0.345 15.438 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.319 15.780 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.480 16.290 6.980 1.00 0.00 H new ATOM 0 HG SER A 60 2.763 18.030 8.487 1.00 0.00 H new ATOM 884 N ARG A 61 1.124 12.688 8.254 1.00 0.00 N ATOM 885 CA ARG A 61 1.423 11.347 7.764 1.00 0.00 C ATOM 886 C ARG A 61 0.141 10.544 7.563 1.00 0.00 C ATOM 887 O ARG A 61 -0.727 10.512 8.435 1.00 0.00 O ATOM 888 CB ARG A 61 2.346 10.618 8.742 1.00 0.00 C ATOM 889 CG ARG A 61 3.264 9.608 8.074 1.00 0.00 C ATOM 890 CD ARG A 61 2.547 8.294 7.807 1.00 0.00 C ATOM 891 NE ARG A 61 2.046 7.684 9.036 1.00 0.00 N ATOM 892 CZ ARG A 61 2.813 7.019 9.893 1.00 0.00 C ATOM 893 NH1 ARG A 61 4.110 6.879 9.655 1.00 0.00 N ATOM 894 NH2 ARG A 61 2.284 6.493 10.990 1.00 0.00 N ATOM 0 H ARG A 61 0.471 12.715 9.037 1.00 0.00 H new ATOM 0 HA ARG A 61 1.927 11.442 6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.952 11.352 9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.739 10.106 9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.636 10.018 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.132 9.428 8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.716 8.467 7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.229 7.603 7.311 1.00 0.00 H new ATOM 0 HE ARG A 61 1.052 7.774 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.520 7.282 8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.697 6.368 10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.287 6.599 11.177 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.874 5.983 11.647 1.00 0.00 H new ATOM 908 N CYS A 62 0.031 9.897 6.408 1.00 0.00 N ATOM 909 CA CYS A 62 -1.145 9.095 6.091 1.00 0.00 C ATOM 910 C CYS A 62 -0.786 7.615 6.004 1.00 0.00 C ATOM 911 O CYS A 62 0.179 7.239 5.339 1.00 0.00 O ATOM 912 CB CYS A 62 -1.766 9.560 4.772 1.00 0.00 C ATOM 913 SG CYS A 62 -1.619 11.337 4.474 1.00 0.00 S ATOM 0 H CYS A 62 0.741 9.912 5.676 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.872 9.228 6.893 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.291 9.024 3.950 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.821 9.287 4.763 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.345 11.546 3.220 1.00 0.00 H new ATOM 919 N GLU A 63 -1.569 6.780 6.681 1.00 0.00 N ATOM 920 CA GLU A 63 -1.331 5.342 6.681 1.00 0.00 C ATOM 921 C GLU A 63 -2.626 4.576 6.423 1.00 0.00 C ATOM 922 O GLU A 63 -3.667 4.878 7.008 1.00 0.00 O ATOM 923 CB GLU A 63 -0.724 4.903 8.016 1.00 0.00 C ATOM 924 CG GLU A 63 0.115 3.641 7.917 1.00 0.00 C ATOM 925 CD GLU A 63 0.424 3.038 9.274 1.00 0.00 C ATOM 926 OE1 GLU A 63 -0.386 3.230 10.206 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.474 2.375 9.404 1.00 0.00 O ATOM 0 H GLU A 63 -2.373 7.075 7.236 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.629 5.116 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.105 5.711 8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.527 4.740 8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.412 2.906 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.049 3.869 7.404 1.00 0.00 H new ATOM 934 N LEU A 64 -2.553 3.584 5.542 1.00 0.00 N ATOM 935 CA LEU A 64 -3.719 2.774 5.204 1.00 0.00 C ATOM 936 C LEU A 64 -3.471 1.304 5.523 1.00 0.00 C ATOM 937 O LEU A 64 -2.333 0.835 5.489 1.00 0.00 O ATOM 938 CB LEU A 64 -4.065 2.936 3.723 1.00 0.00 C ATOM 939 CG LEU A 64 -4.946 1.843 3.116 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.391 2.017 3.558 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.844 1.858 1.598 1.00 0.00 C ATOM 0 H LEU A 64 -1.700 3.321 5.049 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.559 3.120 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.567 3.895 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.135 2.982 3.156 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.592 0.876 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.004 1.231 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.449 1.955 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.757 2.990 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.477 1.074 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.172 2.827 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.810 1.684 1.301 1.00 0.00 H new ATOM 953 N GLN A 65 -4.543 0.581 5.830 1.00 0.00 N ATOM 954 CA GLN A 65 -4.441 -0.837 6.154 1.00 0.00 C ATOM 955 C GLN A 65 -5.504 -1.642 5.413 1.00 0.00 C ATOM 956 O GLN A 65 -6.641 -1.195 5.261 1.00 0.00 O ATOM 957 CB GLN A 65 -4.582 -1.050 7.662 1.00 0.00 C ATOM 958 CG GLN A 65 -3.868 -2.292 8.171 1.00 0.00 C ATOM 959 CD GLN A 65 -3.769 -2.329 9.683 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.535 -1.667 10.384 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.822 -3.107 10.195 1.00 0.00 N ATOM 0 H GLN A 65 -5.492 0.954 5.861 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.459 -1.186 5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.189 -0.176 8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.640 -1.121 7.913 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.398 -3.179 7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.866 -2.331 7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.209 -3.638 9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.708 -3.173 11.206 1.00 0.00 H new ATOM 970 N ILE A 66 -5.126 -2.830 4.954 1.00 0.00 N ATOM 971 CA ILE A 66 -6.048 -3.697 4.230 1.00 0.00 C ATOM 972 C ILE A 66 -5.973 -5.131 4.744 1.00 0.00 C ATOM 973 O ILE A 66 -5.211 -5.947 4.226 1.00 0.00 O ATOM 974 CB ILE A 66 -5.757 -3.690 2.718 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.862 -2.268 2.163 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.715 -4.621 1.990 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.281 -2.117 0.774 1.00 0.00 C ATOM 0 H ILE A 66 -4.188 -3.214 5.070 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.050 -3.304 4.401 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.740 -4.048 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.910 -1.971 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.349 -1.584 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.497 -4.605 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.595 -5.636 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.740 -4.290 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.390 -1.084 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.224 -2.383 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.810 -2.775 0.085 1.00 0.00 H new ATOM 989 N ARG A 67 -6.769 -5.430 5.765 1.00 0.00 N ATOM 990 CA ARG A 67 -6.793 -6.766 6.349 1.00 0.00 C ATOM 991 C ARG A 67 -7.357 -7.781 5.360 1.00 0.00 C ATOM 992 O ARG A 67 -8.363 -7.527 4.699 1.00 0.00 O ATOM 993 CB ARG A 67 -7.628 -6.769 7.631 1.00 0.00 C ATOM 994 CG ARG A 67 -6.875 -6.259 8.849 1.00 0.00 C ATOM 995 CD ARG A 67 -7.792 -6.124 10.055 1.00 0.00 C ATOM 996 NE ARG A 67 -8.000 -7.403 10.730 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.050 -8.041 11.404 1.00 0.00 C ATOM 998 NH1 ARG A 67 -5.833 -7.522 11.493 1.00 0.00 N ATOM 999 NH2 ARG A 67 -7.316 -9.200 11.991 1.00 0.00 N ATOM 0 H ARG A 67 -7.406 -4.766 6.205 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.768 -7.049 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.515 -6.154 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.974 -7.784 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.059 -6.942 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.426 -5.292 8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.364 -5.409 10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.754 -5.722 9.736 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.925 -7.829 10.681 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.625 -6.631 11.043 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.105 -8.014 12.011 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.251 -9.602 11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.586 -9.689 12.508 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.700 -8.933 5.263 1.00 0.00 N ATOM 1014 CA GLY A 68 -7.150 -9.970 4.352 1.00 0.00 C ATOM 1015 C GLY A 68 -6.670 -9.741 2.932 1.00 0.00 C ATOM 1016 O GLY A 68 -7.476 -9.595 2.013 1.00 0.00 O ATOM 0 H GLY A 68 -5.864 -9.167 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.791 -10.938 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.239 -10.011 4.362 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.354 -9.710 2.752 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.768 -9.496 1.434 1.00 0.00 C ATOM 1022 C LEU A 69 -5.200 -10.589 0.461 1.00 0.00 C ATOM 1023 O LEU A 69 -5.479 -11.717 0.865 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.242 -9.460 1.533 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.619 -8.092 1.811 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.136 -8.232 2.119 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -2.834 -7.157 0.629 1.00 0.00 C ATOM 0 H LEU A 69 -4.673 -9.830 3.502 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.125 -8.538 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.933 -10.145 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.828 -9.842 0.600 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.111 -7.662 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.710 -7.248 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.005 -8.865 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.629 -8.684 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.384 -6.188 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.370 -7.583 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.903 -7.030 0.455 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.253 -10.245 -0.821 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.647 -11.198 -1.852 1.00 0.00 C ATOM 1041 C ALA A 70 -5.229 -10.714 -3.236 1.00 0.00 C ATOM 1042 O ALA A 70 -4.834 -9.560 -3.408 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.149 -11.435 -1.804 1.00 0.00 C ATOM 0 H ALA A 70 -5.028 -9.314 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.135 -12.140 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.430 -12.148 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.423 -11.833 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.671 -10.493 -1.971 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.318 -11.602 -4.221 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.950 -11.265 -5.590 1.00 0.00 C ATOM 1051 C VAL A 71 -5.833 -10.150 -6.138 1.00 0.00 C ATOM 1052 O VAL A 71 -5.357 -9.248 -6.828 1.00 0.00 O ATOM 1053 CB VAL A 71 -5.055 -12.490 -6.518 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.533 -12.155 -7.907 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.301 -13.672 -5.926 1.00 0.00 C ATOM 0 H VAL A 71 -5.642 -12.561 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.915 -10.926 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.105 -12.767 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.615 -13.033 -8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.121 -11.340 -8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.488 -11.852 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.385 -14.529 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.250 -13.409 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.727 -13.926 -4.955 1.00 0.00 H new ATOM 1065 N VAL A 72 -7.124 -10.217 -5.826 1.00 0.00 N ATOM 1066 CA VAL A 72 -8.075 -9.211 -6.285 1.00 0.00 C ATOM 1067 C VAL A 72 -7.766 -7.846 -5.681 1.00 0.00 C ATOM 1068 O VAL A 72 -8.329 -6.832 -6.093 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.521 -9.603 -5.929 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.871 -10.957 -6.529 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.714 -9.613 -4.420 1.00 0.00 C ATOM 0 H VAL A 72 -7.535 -10.957 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.978 -9.155 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.196 -8.859 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.897 -11.217 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.775 -10.910 -7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.193 -11.715 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.741 -9.892 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.031 -10.334 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.508 -8.620 -4.020 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.868 -7.828 -4.702 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.483 -6.587 -4.041 1.00 0.00 C ATOM 1083 C ASP A 73 -5.258 -5.972 -4.711 1.00 0.00 C ATOM 1084 O ASP A 73 -5.080 -4.754 -4.703 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.196 -6.841 -2.560 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.434 -6.697 -1.697 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.176 -5.711 -1.885 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.661 -7.572 -0.834 1.00 0.00 O ATOM 0 H ASP A 73 -6.393 -8.659 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.313 -5.885 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.787 -7.844 -2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.433 -6.142 -2.216 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.416 -6.823 -5.288 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.208 -6.363 -5.963 1.00 0.00 C ATOM 1095 C ALA A 74 -3.550 -5.569 -7.219 1.00 0.00 C ATOM 1096 O ALA A 74 -3.932 -6.139 -8.241 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.315 -7.545 -6.310 1.00 0.00 C ATOM 0 H ALA A 74 -4.548 -7.834 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.670 -5.703 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.417 -7.187 -6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.034 -8.069 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.853 -8.226 -6.969 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.412 -4.249 -7.136 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.711 -3.399 -8.273 1.00 0.00 C ATOM 1105 C GLY A 75 -2.982 -2.071 -8.212 1.00 0.00 C ATOM 1106 O GLY A 75 -1.762 -2.033 -8.054 1.00 0.00 O ATOM 0 H GLY A 75 -3.098 -3.754 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.438 -3.918 -9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.785 -3.219 -8.315 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.731 -0.980 -8.338 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.146 0.355 -8.299 1.00 0.00 C ATOM 1112 C GLU A 76 -3.928 1.264 -7.354 1.00 0.00 C ATOM 1113 O GLU A 76 -5.065 1.640 -7.637 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.117 0.965 -9.702 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.429 2.318 -9.763 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.060 2.722 -11.177 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -2.921 2.597 -12.074 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -0.911 3.163 -11.387 1.00 0.00 O ATOM 0 H GLU A 76 -4.743 -0.994 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.125 0.265 -7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.608 0.277 -10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.140 1.070 -10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.085 3.075 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.528 2.291 -9.150 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.310 1.611 -6.230 1.00 0.00 N ATOM 1126 CA TYR A 77 -3.948 2.472 -5.242 1.00 0.00 C ATOM 1127 C TYR A 77 -3.582 3.935 -5.476 1.00 0.00 C ATOM 1128 O TYR A 77 -2.478 4.246 -5.923 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.538 2.052 -3.829 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.039 0.681 -3.436 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.409 -0.469 -3.897 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.140 0.535 -2.602 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -3.864 -1.724 -3.541 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.601 -0.716 -2.239 1.00 0.00 C ATOM 1135 CZ TYR A 77 -4.960 -1.842 -2.712 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.414 -3.091 -2.354 1.00 0.00 O ATOM 0 H TYR A 77 -2.368 1.309 -5.981 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.028 2.365 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.451 2.067 -3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.916 2.786 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.549 -0.380 -4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.645 1.415 -2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.364 -2.608 -3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.458 -0.812 -1.589 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.326 -3.702 -3.115 1.00 0.00 H new ATOM 1146 N SER A 78 -4.517 4.828 -5.170 1.00 0.00 N ATOM 1147 CA SER A 78 -4.296 6.258 -5.350 1.00 0.00 C ATOM 1148 C SER A 78 -4.845 7.046 -4.165 1.00 0.00 C ATOM 1149 O SER A 78 -5.992 6.856 -3.756 1.00 0.00 O ATOM 1150 CB SER A 78 -4.953 6.739 -6.645 1.00 0.00 C ATOM 1151 OG SER A 78 -4.968 5.711 -7.621 1.00 0.00 O ATOM 0 H SER A 78 -5.435 4.587 -4.796 1.00 0.00 H new ATOM 0 HA SER A 78 -3.221 6.429 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.973 7.065 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.413 7.604 -7.031 1.00 0.00 H new ATOM 0 HG SER A 78 -5.394 6.043 -8.439 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.020 7.931 -3.617 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.421 8.748 -2.477 1.00 0.00 C ATOM 1159 C CYS A 79 -4.651 10.195 -2.900 1.00 0.00 C ATOM 1160 O CYS A 79 -3.733 10.870 -3.367 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.358 8.687 -1.380 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.857 9.464 0.175 1.00 0.00 S ATOM 0 H CYS A 79 -3.069 8.101 -3.944 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.357 8.349 -2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.108 7.643 -1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.450 9.171 -1.741 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.154 9.534 0.229 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.883 10.666 -2.735 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.234 12.033 -3.101 1.00 0.00 C ATOM 1170 C VAL A 80 -6.273 12.937 -1.874 1.00 0.00 C ATOM 1171 O VAL A 80 -7.268 12.975 -1.149 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.600 12.091 -3.810 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.795 13.441 -4.483 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -7.724 10.960 -4.820 1.00 0.00 C ATOM 0 H VAL A 80 -6.655 10.121 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.462 12.386 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.384 11.968 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.765 13.464 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.752 14.231 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.007 13.597 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.695 11.016 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.934 11.050 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.632 10.003 -4.307 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.184 13.663 -1.647 1.00 0.00 N ATOM 1185 CA CYS A 81 -5.092 14.568 -0.506 1.00 0.00 C ATOM 1186 C CYS A 81 -5.868 15.855 -0.769 1.00 0.00 C ATOM 1187 O CYS A 81 -6.108 16.644 0.143 1.00 0.00 O ATOM 1188 CB CYS A 81 -3.629 14.893 -0.203 1.00 0.00 C ATOM 1189 SG CYS A 81 -2.724 15.597 -1.601 1.00 0.00 S ATOM 0 H CYS A 81 -4.353 13.643 -2.237 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.532 14.070 0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.589 15.593 0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.125 13.982 0.121 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.035 14.663 -2.187 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.255 16.060 -2.024 1.00 0.00 N ATOM 1196 CA GLY A 82 -6.998 17.253 -2.386 1.00 0.00 C ATOM 1197 C GLY A 82 -6.775 17.660 -3.829 1.00 0.00 C ATOM 1198 O GLY A 82 -7.540 17.277 -4.713 1.00 0.00 O ATOM 0 H GLY A 82 -6.067 15.421 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.061 17.079 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.704 18.073 -1.731 1.00 0.00 H new ATOM 1202 N GLN A 83 -5.725 18.440 -4.066 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.406 18.900 -5.412 1.00 0.00 C ATOM 1204 C GLN A 83 -4.584 17.859 -6.164 1.00 0.00 C ATOM 1205 O GLN A 83 -4.855 17.561 -7.327 1.00 0.00 O ATOM 1206 CB GLN A 83 -4.642 20.224 -5.353 1.00 0.00 C ATOM 1207 CG GLN A 83 -5.544 21.444 -5.260 1.00 0.00 C ATOM 1208 CD GLN A 83 -6.193 21.793 -6.585 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -7.205 21.205 -6.968 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -5.612 22.754 -7.293 1.00 0.00 N ATOM 0 H GLN A 83 -5.082 18.766 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.343 19.052 -5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.974 20.210 -4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.016 20.312 -6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.320 21.261 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.961 22.296 -4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.774 23.214 -6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.003 23.032 -8.193 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.577 17.308 -5.492 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.715 16.300 -6.098 1.00 0.00 C ATOM 1221 C GLU A 84 -3.238 14.895 -5.813 1.00 0.00 C ATOM 1222 O GLU A 84 -4.083 14.701 -4.939 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.285 16.439 -5.574 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.515 17.588 -6.204 1.00 0.00 C ATOM 1225 CD GLU A 84 -0.056 17.278 -7.615 1.00 0.00 C ATOM 1226 OE1 GLU A 84 0.754 16.343 -7.783 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -0.507 17.970 -8.552 1.00 0.00 O ATOM 0 H GLU A 84 -3.339 17.543 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.716 16.458 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.315 16.582 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.748 15.509 -5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.144 18.478 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.353 17.821 -5.587 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.730 13.919 -6.559 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.147 12.532 -6.389 1.00 0.00 C ATOM 1236 C ARG A 85 -2.040 11.575 -6.823 1.00 0.00 C ATOM 1237 O ARG A 85 -1.691 11.506 -8.002 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.418 12.257 -7.194 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.675 10.780 -7.441 1.00 0.00 C ATOM 1240 CD ARG A 85 -5.824 10.569 -8.415 1.00 0.00 C ATOM 1241 NE ARG A 85 -6.321 9.196 -8.386 1.00 0.00 N ATOM 1242 CZ ARG A 85 -7.208 8.718 -9.251 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -7.693 9.497 -10.208 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -7.612 7.457 -9.160 1.00 0.00 N ATOM 0 H ARG A 85 -2.030 14.063 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.353 12.367 -5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.271 12.682 -6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.349 12.770 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.772 10.314 -7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.902 10.286 -6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.636 11.254 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.493 10.814 -9.424 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.968 8.570 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.385 10.467 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.374 9.127 -10.871 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.241 6.854 -8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.293 7.091 -9.825 1.00 0.00 H new ATOM 1258 N THR A 86 -1.491 10.839 -5.862 1.00 0.00 N ATOM 1259 CA THR A 86 -0.424 9.888 -6.144 1.00 0.00 C ATOM 1260 C THR A 86 -0.989 8.523 -6.522 1.00 0.00 C ATOM 1261 O THR A 86 -2.184 8.271 -6.368 1.00 0.00 O ATOM 1262 CB THR A 86 0.516 9.724 -4.934 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.470 8.687 -5.192 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.273 9.392 -3.677 1.00 0.00 C ATOM 0 H THR A 86 -1.768 10.884 -4.881 1.00 0.00 H new ATOM 0 HA THR A 86 0.143 10.289 -6.984 1.00 0.00 H new ATOM 0 HB THR A 86 1.039 10.668 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.303 8.882 -4.714 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.412 9.281 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.978 10.196 -3.467 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.819 8.460 -3.826 1.00 0.00 H new ATOM 1272 N SER A 87 -0.122 7.646 -7.018 1.00 0.00 N ATOM 1273 CA SER A 87 -0.536 6.307 -7.422 1.00 0.00 C ATOM 1274 C SER A 87 0.613 5.315 -7.271 1.00 0.00 C ATOM 1275 O SER A 87 1.780 5.669 -7.435 1.00 0.00 O ATOM 1276 CB SER A 87 -1.029 6.318 -8.870 1.00 0.00 C ATOM 1277 OG SER A 87 -1.911 7.402 -9.101 1.00 0.00 O ATOM 0 H SER A 87 0.871 7.838 -7.150 1.00 0.00 H new ATOM 0 HA SER A 87 -1.352 5.993 -6.771 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.177 6.388 -9.547 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.536 5.379 -9.092 1.00 0.00 H new ATOM 0 HG SER A 87 -2.210 7.387 -10.034 1.00 0.00 H new ATOM 1283 N ALA A 88 0.273 4.069 -6.956 1.00 0.00 N ATOM 1284 CA ALA A 88 1.274 3.024 -6.785 1.00 0.00 C ATOM 1285 C ALA A 88 0.665 1.641 -6.990 1.00 0.00 C ATOM 1286 O ALA A 88 -0.505 1.414 -6.682 1.00 0.00 O ATOM 1287 CB ALA A 88 1.910 3.123 -5.406 1.00 0.00 C ATOM 0 H ALA A 88 -0.688 3.759 -6.814 1.00 0.00 H new ATOM 0 HA ALA A 88 2.046 3.168 -7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.656 2.336 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.389 4.096 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.141 3.008 -4.642 1.00 0.00 H new ATOM 1293 N THR A 89 1.467 0.718 -7.514 1.00 0.00 N ATOM 1294 CA THR A 89 1.006 -0.642 -7.762 1.00 0.00 C ATOM 1295 C THR A 89 1.143 -1.505 -6.513 1.00 0.00 C ATOM 1296 O THR A 89 1.989 -1.247 -5.657 1.00 0.00 O ATOM 1297 CB THR A 89 1.790 -1.299 -8.914 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.994 -0.352 -9.969 1.00 0.00 O ATOM 1299 CG2 THR A 89 1.046 -2.512 -9.452 1.00 0.00 C ATOM 0 H THR A 89 2.438 0.888 -7.774 1.00 0.00 H new ATOM 0 HA THR A 89 -0.046 -0.574 -8.040 1.00 0.00 H new ATOM 0 HB THR A 89 2.755 -1.627 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.494 -0.776 -10.697 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.619 -2.959 -10.264 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.917 -3.243 -8.654 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.069 -2.204 -9.824 1.00 0.00 H new ATOM 1307 N LEU A 90 0.305 -2.532 -6.415 1.00 0.00 N ATOM 1308 CA LEU A 90 0.333 -3.435 -5.270 1.00 0.00 C ATOM 1309 C LEU A 90 0.598 -4.870 -5.715 1.00 0.00 C ATOM 1310 O LEU A 90 0.028 -5.343 -6.699 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.990 -3.362 -4.506 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.945 -3.803 -3.042 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.647 -5.291 -2.941 1.00 0.00 C ATOM 1314 CD2 LEU A 90 0.092 -2.996 -2.274 1.00 0.00 C ATOM 0 H LEU A 90 -0.402 -2.760 -7.114 1.00 0.00 H new ATOM 0 HA LEU A 90 1.144 -3.123 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.352 -2.335 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.722 -3.978 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.923 -3.619 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.619 -5.586 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.426 -5.854 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.318 -5.501 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.110 -3.323 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.075 -3.148 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.166 -1.938 -2.317 1.00 0.00 H new ATOM 1326 N THR A 91 1.466 -5.560 -4.982 1.00 0.00 N ATOM 1327 CA THR A 91 1.807 -6.942 -5.299 1.00 0.00 C ATOM 1328 C THR A 91 1.361 -7.887 -4.189 1.00 0.00 C ATOM 1329 O THR A 91 1.768 -7.742 -3.036 1.00 0.00 O ATOM 1330 CB THR A 91 3.321 -7.110 -5.524 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.777 -6.177 -6.511 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.648 -8.527 -5.969 1.00 0.00 C ATOM 0 H THR A 91 1.946 -5.184 -4.164 1.00 0.00 H new ATOM 0 HA THR A 91 1.281 -7.194 -6.220 1.00 0.00 H new ATOM 0 HB THR A 91 3.830 -6.916 -4.580 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.741 -6.289 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.723 -8.621 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.327 -9.232 -5.202 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.129 -8.744 -6.902 1.00 0.00 H new ATOM 1340 N VAL A 92 0.523 -8.856 -4.544 1.00 0.00 N ATOM 1341 CA VAL A 92 0.024 -9.826 -3.578 1.00 0.00 C ATOM 1342 C VAL A 92 0.362 -11.250 -4.004 1.00 0.00 C ATOM 1343 O VAL A 92 -0.371 -11.869 -4.775 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.501 -9.705 -3.397 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.987 -10.649 -2.308 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.887 -8.268 -3.080 1.00 0.00 C ATOM 0 H VAL A 92 0.176 -8.990 -5.494 1.00 0.00 H new ATOM 0 HA VAL A 92 0.514 -9.608 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.984 -9.989 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.066 -10.549 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.744 -11.676 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.499 -10.400 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.968 -8.201 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.395 -7.954 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.575 -7.619 -3.898 1.00 0.00 H new ATOM 1356 N ARG A 93 1.478 -11.764 -3.497 1.00 0.00 N ATOM 1357 CA ARG A 93 1.915 -13.116 -3.826 1.00 0.00 C ATOM 1358 C ARG A 93 0.905 -14.149 -3.332 1.00 0.00 C ATOM 1359 O ARG A 93 0.746 -14.349 -2.129 1.00 0.00 O ATOM 1360 CB ARG A 93 3.288 -13.395 -3.211 1.00 0.00 C ATOM 1361 CG ARG A 93 4.401 -12.539 -3.793 1.00 0.00 C ATOM 1362 CD ARG A 93 5.772 -13.090 -3.436 1.00 0.00 C ATOM 1363 NE ARG A 93 6.243 -14.064 -4.418 1.00 0.00 N ATOM 1364 CZ ARG A 93 6.534 -13.756 -5.677 1.00 0.00 C ATOM 1365 NH1 ARG A 93 6.404 -12.508 -6.105 1.00 0.00 N ATOM 1366 NH2 ARG A 93 6.956 -14.698 -6.511 1.00 0.00 N ATOM 0 H ARG A 93 2.096 -11.265 -2.857 1.00 0.00 H new ATOM 0 HA ARG A 93 1.988 -13.194 -4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.236 -13.226 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.535 -14.446 -3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.297 -12.493 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.309 -11.519 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.486 -12.269 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.730 -13.558 -2.453 1.00 0.00 H new ATOM 0 HE ARG A 93 6.354 -15.033 -4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.080 -11.781 -5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.628 -12.275 -7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.057 -15.659 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.179 -14.461 -7.478 1.00 0.00 H new ATOM 1380 N ALA A 94 0.227 -14.801 -4.271 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.765 -15.813 -3.932 1.00 0.00 C ATOM 1382 C ALA A 94 -0.135 -16.958 -3.147 1.00 0.00 C ATOM 1383 O ALA A 94 0.708 -17.691 -3.666 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.433 -16.340 -5.193 1.00 0.00 C ATOM 0 H ALA A 94 0.347 -14.646 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.522 -15.347 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.172 -17.095 -4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.926 -15.519 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.681 -16.784 -5.845 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.548 -17.107 -1.893 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.022 -18.164 -1.035 1.00 0.00 C ATOM 1392 C LEU A 95 -0.149 -19.526 -1.709 1.00 0.00 C ATOM 1393 O LEU A 95 -1.087 -19.789 -2.462 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.761 -18.174 0.305 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.345 -17.098 1.309 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.455 -16.854 2.320 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.943 -17.496 2.014 1.00 0.00 C ATOM 0 H LEU A 95 -1.245 -16.510 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 95 1.035 -17.964 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.828 -18.067 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.618 -19.150 0.769 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.166 -16.170 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.141 -16.085 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.354 -16.524 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.666 -17.778 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.224 -16.719 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.792 -18.436 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.738 -17.619 1.278 1.00 0.00 H new ATOM 1409 N PRO A 96 0.815 -20.416 -1.431 1.00 0.00 N ATOM 1410 CA PRO A 96 0.832 -21.768 -1.999 1.00 0.00 C ATOM 1411 C PRO A 96 -0.278 -22.648 -1.434 1.00 0.00 C ATOM 1412 O PRO A 96 -0.661 -22.510 -0.272 1.00 0.00 O ATOM 1413 CB PRO A 96 2.204 -22.308 -1.588 1.00 0.00 C ATOM 1414 CG PRO A 96 2.562 -21.539 -0.363 1.00 0.00 C ATOM 1415 CD PRO A 96 1.963 -20.172 -0.542 1.00 0.00 C ATOM 0 HA PRO A 96 0.667 -21.760 -3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.164 -23.378 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.941 -22.160 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.168 -22.023 0.531 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.644 -21.478 -0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.650 -19.743 0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.675 -19.477 -0.987 1.00 0.00 H new ATOM 1423 N ALA A 97 -0.790 -23.551 -2.263 1.00 0.00 N ATOM 1424 CA ALA A 97 -1.855 -24.455 -1.844 1.00 0.00 C ATOM 1425 C ALA A 97 -1.389 -25.906 -1.882 1.00 0.00 C ATOM 1426 O ALA A 97 -1.858 -26.698 -2.699 1.00 0.00 O ATOM 1427 CB ALA A 97 -3.081 -24.269 -2.725 1.00 0.00 C ATOM 0 H ALA A 97 -0.485 -23.677 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.120 -24.213 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.868 -24.950 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.434 -23.241 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.820 -24.483 -3.761 1.00 0.00 H new ATOM 1433 N ARG A 98 -0.462 -26.249 -0.993 1.00 0.00 N ATOM 1434 CA ARG A 98 0.069 -27.605 -0.926 1.00 0.00 C ATOM 1435 C ARG A 98 0.613 -27.907 0.467 1.00 0.00 C ATOM 1436 O ARG A 98 1.037 -27.005 1.189 1.00 0.00 O ATOM 1437 CB ARG A 98 1.171 -27.796 -1.969 1.00 0.00 C ATOM 1438 CG ARG A 98 0.659 -28.285 -3.314 1.00 0.00 C ATOM 1439 CD ARG A 98 1.799 -28.515 -4.294 1.00 0.00 C ATOM 1440 NE ARG A 98 1.476 -29.546 -5.277 1.00 0.00 N ATOM 1441 CZ ARG A 98 2.370 -30.082 -6.100 1.00 0.00 C ATOM 1442 NH1 ARG A 98 3.635 -29.688 -6.058 1.00 0.00 N ATOM 1443 NH2 ARG A 98 1.999 -31.016 -6.967 1.00 0.00 N ATOM 0 H ARG A 98 -0.063 -25.606 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.745 -28.298 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.693 -26.850 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.902 -28.509 -1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.103 -29.212 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.036 -27.554 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.028 -27.582 -4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.695 -28.805 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 98 0.511 -29.872 -5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.924 -28.971 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.319 -30.102 -6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.027 -31.323 -7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.686 -31.427 -7.599 1.00 0.00 H new ATOM 1457 N PHE A 99 0.599 -29.183 0.838 1.00 0.00 N ATOM 1458 CA PHE A 99 1.089 -29.605 2.145 1.00 0.00 C ATOM 1459 C PHE A 99 2.547 -30.048 2.061 1.00 0.00 C ATOM 1460 O PHE A 99 2.935 -31.057 2.651 1.00 0.00 O ATOM 1461 CB PHE A 99 0.229 -30.746 2.693 1.00 0.00 C ATOM 1462 CG PHE A 99 -1.073 -30.284 3.283 1.00 0.00 C ATOM 1463 CD1 PHE A 99 -2.094 -29.825 2.467 1.00 0.00 C ATOM 1464 CD2 PHE A 99 -1.275 -30.309 4.653 1.00 0.00 C ATOM 1465 CE1 PHE A 99 -3.293 -29.399 3.007 1.00 0.00 C ATOM 1466 CE2 PHE A 99 -2.472 -29.885 5.200 1.00 0.00 C ATOM 1467 CZ PHE A 99 -3.483 -29.430 4.375 1.00 0.00 C ATOM 0 H PHE A 99 0.254 -29.943 0.252 1.00 0.00 H new ATOM 0 HA PHE A 99 1.024 -28.753 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.024 -31.454 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.794 -31.283 3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.952 -29.800 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.488 -30.664 5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.081 -29.042 2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.617 -29.909 6.270 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.420 -29.099 4.799 1.00 0.00 H new ATOM 1477 N ILE A 100 3.349 -29.286 1.325 1.00 0.00 N ATOM 1478 CA ILE A 100 4.764 -29.599 1.164 1.00 0.00 C ATOM 1479 C ILE A 100 5.416 -29.904 2.509 1.00 0.00 C ATOM 1480 O ILE A 100 5.096 -29.279 3.520 1.00 0.00 O ATOM 1481 CB ILE A 100 5.523 -28.442 0.488 1.00 0.00 C ATOM 1482 CG1 ILE A 100 6.967 -28.854 0.194 1.00 0.00 C ATOM 1483 CG2 ILE A 100 5.489 -27.201 1.368 1.00 0.00 C ATOM 1484 CD1 ILE A 100 7.140 -29.537 -1.145 1.00 0.00 C ATOM 0 H ILE A 100 3.043 -28.448 0.831 1.00 0.00 H new ATOM 0 HA ILE A 100 4.822 -30.481 0.527 1.00 0.00 H new ATOM 0 HB ILE A 100 5.032 -28.207 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.602 -27.969 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.313 -29.523 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.030 -26.392 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.454 -26.899 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.959 -27.422 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.188 -29.801 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.531 -30.441 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.825 -28.862 -1.941 1.00 0.00 H new ATOM 1496 N GLU A 101 6.333 -30.866 2.511 1.00 0.00 N ATOM 1497 CA GLU A 101 7.030 -31.252 3.732 1.00 0.00 C ATOM 1498 C GLU A 101 6.060 -31.847 4.749 1.00 0.00 C ATOM 1499 O GLU A 101 6.034 -31.440 5.910 1.00 0.00 O ATOM 1500 CB GLU A 101 7.746 -30.045 4.340 1.00 0.00 C ATOM 1501 CG GLU A 101 8.995 -30.409 5.126 1.00 0.00 C ATOM 1502 CD GLU A 101 9.829 -29.197 5.491 1.00 0.00 C ATOM 1503 OE1 GLU A 101 9.243 -28.110 5.682 1.00 0.00 O ATOM 1504 OE2 GLU A 101 11.066 -29.334 5.586 1.00 0.00 O ATOM 0 H GLU A 101 6.610 -31.392 1.682 1.00 0.00 H new ATOM 0 HA GLU A 101 7.768 -32.011 3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.018 -29.355 3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.055 -29.516 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.706 -30.934 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.601 -31.099 4.539 1.00 0.00 H new ATOM 1511 N SER A 102 5.263 -32.813 4.302 1.00 0.00 N ATOM 1512 CA SER A 102 4.287 -33.461 5.170 1.00 0.00 C ATOM 1513 C SER A 102 4.848 -34.759 5.743 1.00 0.00 C ATOM 1514 O SER A 102 4.582 -35.844 5.227 1.00 0.00 O ATOM 1515 CB SER A 102 2.996 -33.745 4.400 1.00 0.00 C ATOM 1516 OG SER A 102 1.987 -34.242 5.261 1.00 0.00 O ATOM 0 H SER A 102 5.274 -33.164 3.344 1.00 0.00 H new ATOM 0 HA SER A 102 4.066 -32.785 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.649 -32.832 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.192 -34.469 3.609 1.00 0.00 H new ATOM 0 HG SER A 102 1.172 -34.414 4.745 1.00 0.00 H new ATOM 1522 N GLY A 103 5.625 -34.639 6.815 1.00 0.00 N ATOM 1523 CA GLY A 103 6.212 -35.810 7.440 1.00 0.00 C ATOM 1524 C GLY A 103 7.665 -36.005 7.057 1.00 0.00 C ATOM 1525 O GLY A 103 7.992 -36.768 6.147 1.00 0.00 O ATOM 0 H GLY A 103 5.858 -33.752 7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 103 6.134 -35.717 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.642 -36.694 7.154 1.00 0.00 H new ATOM 1529 N PRO A 104 8.567 -35.303 7.759 1.00 0.00 N ATOM 1530 CA PRO A 104 10.008 -35.386 7.504 1.00 0.00 C ATOM 1531 C PRO A 104 10.593 -36.733 7.914 1.00 0.00 C ATOM 1532 O PRO A 104 9.939 -37.523 8.595 1.00 0.00 O ATOM 1533 CB PRO A 104 10.586 -34.265 8.372 1.00 0.00 C ATOM 1534 CG PRO A 104 9.592 -34.081 9.465 1.00 0.00 C ATOM 1535 CD PRO A 104 8.248 -34.375 8.857 1.00 0.00 C ATOM 0 HA PRO A 104 10.241 -35.287 6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.565 -34.536 8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.717 -33.348 7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.799 -34.753 10.298 1.00 0.00 H new ATOM 0 HG3 PRO A 104 9.628 -33.065 9.859 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.569 -34.827 9.581 1.00 0.00 H new ATOM 0 HD3 PRO A 104 7.766 -33.469 8.490 1.00 0.00 H new ATOM 1543 N SER A 105 11.828 -36.989 7.494 1.00 0.00 N ATOM 1544 CA SER A 105 12.500 -38.243 7.815 1.00 0.00 C ATOM 1545 C SER A 105 13.731 -37.993 8.681 1.00 0.00 C ATOM 1546 O SER A 105 14.155 -36.852 8.862 1.00 0.00 O ATOM 1547 CB SER A 105 12.904 -38.972 6.533 1.00 0.00 C ATOM 1548 OG SER A 105 12.919 -40.376 6.727 1.00 0.00 O ATOM 0 H SER A 105 12.383 -36.345 6.931 1.00 0.00 H new ATOM 0 HA SER A 105 11.804 -38.867 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.208 -38.720 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.891 -38.635 6.215 1.00 0.00 H new ATOM 0 HG SER A 105 13.179 -40.819 5.892 1.00 0.00 H new ATOM 1554 N SER A 106 14.299 -39.070 9.215 1.00 0.00 N ATOM 1555 CA SER A 106 15.479 -38.969 10.066 1.00 0.00 C ATOM 1556 C SER A 106 16.010 -40.354 10.424 1.00 0.00 C ATOM 1557 O SER A 106 15.273 -41.339 10.401 1.00 0.00 O ATOM 1558 CB SER A 106 15.149 -38.191 11.341 1.00 0.00 C ATOM 1559 OG SER A 106 16.179 -38.331 12.304 1.00 0.00 O ATOM 0 H SER A 106 13.961 -40.022 9.073 1.00 0.00 H new ATOM 0 HA SER A 106 16.251 -38.435 9.513 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.011 -37.137 11.102 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.207 -38.550 11.756 1.00 0.00 H new ATOM 0 HG SER A 106 15.945 -37.823 13.109 1.00 0.00 H new ATOM 1565 N GLY A 107 17.296 -40.420 10.757 1.00 0.00 N ATOM 1566 CA GLY A 107 17.905 -41.687 11.115 1.00 0.00 C ATOM 1567 C GLY A 107 19.391 -41.721 10.816 1.00 0.00 C ATOM 1568 O GLY A 107 19.972 -42.793 10.647 1.00 0.00 O ATOM 0 H GLY A 107 17.926 -39.618 10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.747 -41.876 12.177 1.00 0.00 H new ATOM 0 HA3 GLY A 107 17.410 -42.491 10.571 1.00 0.00 H new TER 1572 GLY A 107