USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 908 hydrogens (12 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 102 TYR OH : rot 22:sc= 0.431 USER MOD Set 1.2: A 106 GLN : amide:sc= 0.394 K(o=0.83,f=0.21) USER MOD Set 2.1: A 55 SER OG : rot 19:sc= 0.32 USER MOD Set 2.2: A 99 CYS SG : rot 83:sc= 0.0474! USER MOD Single : A 1 ATP O2' : rot 34:sc= 0.417 USER MOD Single : A 1 ATP O3' : rot -38:sc= 1.47 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.284 K(o=-0.28,f=-2.1!) USER MOD Single : A 32 SER OG : rot -8:sc= 0.962 USER MOD Single : A 34 HIS : no HE2:sc= -0.114 K(o=-0.11,f=-2.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.26 F(o=-2.9!,f=-1.3) USER MOD Single : A 43 ASN : amide:sc=-0.00477 K(o=-0.0048,f=-1.9!) USER MOD Single : A 47 SER OG : rot -40:sc= 0.0765 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -7.84! C(o=-7.8!,f=-13!) USER MOD Single : A 64 SER OG : rot -162:sc= -2.08! USER MOD Single : A 68 THR OG1 : rot 81:sc= 0.853 USER MOD Single : A 75 SER OG : rot -44:sc= 0.94 USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= -4.79! (180deg=-5.07!) USER MOD Single : A 88 GLN : amide:sc= -0.0293 K(o=-0.029,f=-1.9!) USER MOD Single : A 92 TYR OH : rot -1:sc= 0.0366 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 150:sc= -0.387 USER MOD Single : A 100 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-15!) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 109 GLN : amide:sc= -0.211 K(o=-0.21,f=-2.5!) USER MOD Single : A 112 THR OG1 : rot -150:sc= -0.0928 USER MOD Single : A 116 LYS NZ :NH3+ 161:sc=-0.00824 (180deg=-0.216) USER MOD Single : A 119 GLN :FLIP amide:sc= -6.18! C(o=-9!,f=-6.2!) USER MOD Single : A 120 SER OG : rot 16:sc= -0.0145 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 114:sc= 0.264 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot -53:sc= 0.788 USER MOD Single : A 137 GLN :FLIP amide:sc= -5.89! C(o=-11!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 29.543 35.128 18.723 1.00 0.00 N ATOM 2 CA GLY A 17 30.064 34.795 20.079 1.00 0.00 C ATOM 3 C GLY A 17 29.338 33.559 20.615 1.00 0.00 C ATOM 4 O GLY A 17 29.948 32.644 21.131 1.00 0.00 O ATOM 0 HA2 GLY A 17 31.137 34.608 20.032 1.00 0.00 H new ATOM 0 HA3 GLY A 17 29.916 35.638 20.754 1.00 0.00 H new ATOM 10 N ALA A 18 28.039 33.525 20.496 1.00 0.00 N ATOM 11 CA ALA A 18 27.275 32.348 20.998 1.00 0.00 C ATOM 12 C ALA A 18 27.731 31.091 20.239 1.00 0.00 C ATOM 13 O ALA A 18 28.181 31.179 19.114 1.00 0.00 O ATOM 14 CB ALA A 18 25.779 32.584 20.763 1.00 0.00 C ATOM 0 H ALA A 18 27.474 34.261 20.073 1.00 0.00 H new ATOM 0 HA ALA A 18 27.456 32.211 22.064 1.00 0.00 H new ATOM 0 HB1 ALA A 18 25.214 31.727 21.128 1.00 0.00 H new ATOM 0 HB2 ALA A 18 25.464 33.480 21.297 1.00 0.00 H new ATOM 0 HB3 ALA A 18 25.594 32.713 19.697 1.00 0.00 H new ATOM 20 N PRO A 19 27.617 29.928 20.840 1.00 0.00 N ATOM 21 CA PRO A 19 28.024 28.652 20.192 1.00 0.00 C ATOM 22 C PRO A 19 27.715 28.634 18.691 1.00 0.00 C ATOM 23 O PRO A 19 26.602 28.885 18.273 1.00 0.00 O ATOM 24 CB PRO A 19 27.188 27.611 20.935 1.00 0.00 C ATOM 25 CG PRO A 19 27.053 28.156 22.325 1.00 0.00 C ATOM 26 CD PRO A 19 27.089 29.692 22.200 1.00 0.00 C ATOM 0 HA PRO A 19 29.098 28.479 20.253 1.00 0.00 H new ATOM 0 HB2 PRO A 19 26.213 27.477 20.466 1.00 0.00 H new ATOM 0 HB3 PRO A 19 27.678 26.637 20.937 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.120 27.826 22.782 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.863 27.800 22.961 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.097 30.126 22.324 1.00 0.00 H new ATOM 0 HD3 PRO A 19 27.730 30.139 22.960 1.00 0.00 H new ATOM 34 N GLU A 20 28.692 28.338 17.878 1.00 0.00 N ATOM 35 CA GLU A 20 28.453 28.304 16.407 1.00 0.00 C ATOM 36 C GLU A 20 29.634 27.621 15.714 1.00 0.00 C ATOM 37 O GLU A 20 30.675 27.410 16.305 1.00 0.00 O ATOM 38 CB GLU A 20 28.311 29.734 15.881 1.00 0.00 C ATOM 39 CG GLU A 20 29.602 30.508 16.151 1.00 0.00 C ATOM 40 CD GLU A 20 29.367 31.998 15.896 1.00 0.00 C ATOM 41 OE1 GLU A 20 28.694 32.315 14.929 1.00 0.00 O ATOM 42 OE2 GLU A 20 29.863 32.797 16.673 1.00 0.00 O ATOM 0 H GLU A 20 29.645 28.118 18.168 1.00 0.00 H new ATOM 0 HA GLU A 20 27.539 27.748 16.200 1.00 0.00 H new ATOM 0 HB2 GLU A 20 28.100 29.720 14.812 1.00 0.00 H new ATOM 0 HB3 GLU A 20 27.470 30.229 16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 20 29.924 30.351 17.180 1.00 0.00 H new ATOM 0 HG3 GLU A 20 30.401 30.140 15.507 1.00 0.00 H new ATOM 49 N GLY A 21 29.482 27.274 14.466 1.00 0.00 N ATOM 50 CA GLY A 21 30.596 26.605 13.737 1.00 0.00 C ATOM 51 C GLY A 21 30.210 26.430 12.266 1.00 0.00 C ATOM 52 O GLY A 21 30.775 27.055 11.390 1.00 0.00 O ATOM 0 H GLY A 21 28.634 27.425 13.919 1.00 0.00 H new ATOM 0 HA2 GLY A 21 31.506 27.199 13.817 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.808 25.635 14.186 1.00 0.00 H new ATOM 56 N PRO A 22 29.253 25.581 11.999 1.00 0.00 N ATOM 57 CA PRO A 22 28.776 25.311 10.611 1.00 0.00 C ATOM 58 C PRO A 22 27.906 26.453 10.070 1.00 0.00 C ATOM 59 O PRO A 22 27.573 27.382 10.779 1.00 0.00 O ATOM 60 CB PRO A 22 27.958 24.022 10.765 1.00 0.00 C ATOM 61 CG PRO A 22 27.437 24.072 12.166 1.00 0.00 C ATOM 62 CD PRO A 22 28.515 24.782 12.995 1.00 0.00 C ATOM 0 HA PRO A 22 29.596 25.221 9.899 1.00 0.00 H new ATOM 0 HB2 PRO A 22 27.145 23.980 10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 22 28.576 23.139 10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 22 26.492 24.612 12.211 1.00 0.00 H new ATOM 0 HG3 PRO A 22 27.249 23.069 12.548 1.00 0.00 H new ATOM 0 HD2 PRO A 22 28.075 25.413 13.768 1.00 0.00 H new ATOM 0 HD3 PRO A 22 29.167 24.069 13.499 1.00 0.00 H new ATOM 70 N GLY A 23 27.536 26.389 8.820 1.00 0.00 N ATOM 71 CA GLY A 23 26.691 27.468 8.237 1.00 0.00 C ATOM 72 C GLY A 23 26.493 27.211 6.740 1.00 0.00 C ATOM 73 O GLY A 23 26.868 28.016 5.911 1.00 0.00 O ATOM 0 H GLY A 23 27.783 25.636 8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 23 25.725 27.501 8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 23 27.164 28.438 8.391 1.00 0.00 H new ATOM 77 N PRO A 24 25.907 26.093 6.399 1.00 0.00 N ATOM 78 CA PRO A 24 25.652 25.716 4.978 1.00 0.00 C ATOM 79 C PRO A 24 24.478 26.501 4.378 1.00 0.00 C ATOM 80 O PRO A 24 23.439 26.649 4.991 1.00 0.00 O ATOM 81 CB PRO A 24 25.327 24.220 5.064 1.00 0.00 C ATOM 82 CG PRO A 24 24.720 24.044 6.420 1.00 0.00 C ATOM 83 CD PRO A 24 25.420 25.060 7.333 1.00 0.00 C ATOM 0 HA PRO A 24 26.499 25.938 4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 24 24.635 23.919 4.278 1.00 0.00 H new ATOM 0 HB3 PRO A 24 26.224 23.612 4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 24 23.645 24.221 6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 24 24.866 23.027 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 24 24.732 25.477 8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 24 26.240 24.602 7.887 1.00 0.00 H new ATOM 91 N SER A 25 24.637 27.003 3.183 1.00 0.00 N ATOM 92 CA SER A 25 23.532 27.775 2.547 1.00 0.00 C ATOM 93 C SER A 25 22.417 26.816 2.125 1.00 0.00 C ATOM 94 O SER A 25 21.796 26.986 1.094 1.00 0.00 O ATOM 95 CB SER A 25 24.067 28.509 1.316 1.00 0.00 C ATOM 96 OG SER A 25 25.055 29.447 1.716 1.00 0.00 O ATOM 0 H SER A 25 25.483 26.912 2.621 1.00 0.00 H new ATOM 0 HA SER A 25 23.137 28.499 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.492 27.795 0.610 1.00 0.00 H new ATOM 0 HB3 SER A 25 23.253 29.019 0.801 1.00 0.00 H new ATOM 0 HG SER A 25 25.399 29.916 0.927 1.00 0.00 H new ATOM 102 N GLY A 26 22.158 25.808 2.913 1.00 0.00 N ATOM 103 CA GLY A 26 21.084 24.840 2.556 1.00 0.00 C ATOM 104 C GLY A 26 19.729 25.550 2.580 1.00 0.00 C ATOM 105 O GLY A 26 19.100 25.675 3.612 1.00 0.00 O ATOM 0 H GLY A 26 22.644 25.614 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 26 21.270 24.422 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 26 21.082 24.007 3.259 1.00 0.00 H new ATOM 109 N GLY A 27 19.273 26.018 1.450 1.00 0.00 N ATOM 110 CA GLY A 27 17.959 26.719 1.409 1.00 0.00 C ATOM 111 C GLY A 27 16.854 25.757 1.849 1.00 0.00 C ATOM 112 O GLY A 27 16.432 25.761 2.988 1.00 0.00 O ATOM 0 H GLY A 27 19.754 25.945 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.979 27.590 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.760 27.082 0.401 1.00 0.00 H new ATOM 116 N ALA A 28 16.381 24.933 0.954 1.00 0.00 N ATOM 117 CA ALA A 28 15.303 23.973 1.322 1.00 0.00 C ATOM 118 C ALA A 28 15.912 22.784 2.069 1.00 0.00 C ATOM 119 O ALA A 28 15.505 22.453 3.165 1.00 0.00 O ATOM 120 CB ALA A 28 14.607 23.476 0.053 1.00 0.00 C ATOM 0 H ALA A 28 16.695 24.883 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 28 14.576 24.471 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 28 13.818 22.774 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.173 24.322 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.333 22.978 -0.589 1.00 0.00 H new ATOM 126 N GLN A 29 16.886 22.138 1.482 1.00 0.00 N ATOM 127 CA GLN A 29 17.530 20.966 2.152 1.00 0.00 C ATOM 128 C GLN A 29 19.029 20.970 1.843 1.00 0.00 C ATOM 129 O GLN A 29 19.782 21.755 2.385 1.00 0.00 O ATOM 130 CB GLN A 29 16.904 19.669 1.625 1.00 0.00 C ATOM 131 CG GLN A 29 15.532 19.458 2.270 1.00 0.00 C ATOM 132 CD GLN A 29 15.710 19.096 3.746 1.00 0.00 C ATOM 133 OE1 GLN A 29 16.768 18.657 4.152 1.00 0.00 O ATOM 134 NE2 GLN A 29 14.713 19.261 4.571 1.00 0.00 N ATOM 0 H GLN A 29 17.265 22.372 0.564 1.00 0.00 H new ATOM 0 HA GLN A 29 17.377 21.031 3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.803 19.717 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.555 18.823 1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.932 20.363 2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.994 18.664 1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.825 19.629 4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.822 19.022 5.557 1.00 0.00 H new ATOM 143 N GLY A 30 19.468 20.099 0.977 1.00 0.00 N ATOM 144 CA GLY A 30 20.918 20.054 0.635 1.00 0.00 C ATOM 145 C GLY A 30 21.252 18.700 0.005 1.00 0.00 C ATOM 146 O GLY A 30 20.523 18.193 -0.824 1.00 0.00 O ATOM 0 H GLY A 30 18.886 19.417 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 30 21.165 20.860 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 30 21.519 20.208 1.531 1.00 0.00 H new ATOM 150 N GLY A 31 22.349 18.109 0.393 1.00 0.00 N ATOM 151 CA GLY A 31 22.728 16.789 -0.183 1.00 0.00 C ATOM 152 C GLY A 31 23.352 16.995 -1.564 1.00 0.00 C ATOM 153 O GLY A 31 23.882 18.046 -1.866 1.00 0.00 O ATOM 0 H GLY A 31 22.999 18.484 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.434 16.282 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 31 21.849 16.149 -0.261 1.00 0.00 H new ATOM 157 N SER A 32 23.294 16.000 -2.407 1.00 0.00 N ATOM 158 CA SER A 32 23.884 16.141 -3.768 1.00 0.00 C ATOM 159 C SER A 32 23.288 15.079 -4.694 1.00 0.00 C ATOM 160 O SER A 32 23.160 13.926 -4.332 1.00 0.00 O ATOM 161 CB SER A 32 25.400 15.954 -3.688 1.00 0.00 C ATOM 162 OG SER A 32 25.973 17.032 -2.963 1.00 0.00 O ATOM 0 H SER A 32 22.864 15.096 -2.212 1.00 0.00 H new ATOM 0 HA SER A 32 23.660 17.133 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 32 25.635 15.008 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 32 25.825 15.910 -4.691 1.00 0.00 H new ATOM 0 HG SER A 32 25.290 17.714 -2.797 1.00 0.00 H new ATOM 168 N ILE A 33 22.922 15.458 -5.890 1.00 0.00 N ATOM 169 CA ILE A 33 22.335 14.473 -6.844 1.00 0.00 C ATOM 170 C ILE A 33 23.470 13.778 -7.604 1.00 0.00 C ATOM 171 O ILE A 33 23.869 14.205 -8.669 1.00 0.00 O ATOM 172 CB ILE A 33 21.408 15.196 -7.844 1.00 0.00 C ATOM 173 CG1 ILE A 33 22.026 16.560 -8.254 1.00 0.00 C ATOM 174 CG2 ILE A 33 20.019 15.395 -7.218 1.00 0.00 C ATOM 175 CD1 ILE A 33 21.607 17.690 -7.294 1.00 0.00 C ATOM 0 H ILE A 33 23.005 16.410 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 33 21.752 13.735 -6.293 1.00 0.00 H new ATOM 0 HB ILE A 33 21.301 14.585 -8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.113 16.478 -8.266 1.00 0.00 H new ATOM 0 HG13 ILE A 33 21.714 16.810 -9.268 1.00 0.00 H new ATOM 0 HG21 ILE A 33 19.369 15.906 -7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 33 19.590 14.425 -6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 33 20.110 15.996 -6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 33 22.060 18.628 -7.616 1.00 0.00 H new ATOM 0 HD12 ILE A 33 20.522 17.790 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 33 21.942 17.453 -6.284 1.00 0.00 H new ATOM 187 N HIS A 34 23.992 12.711 -7.064 1.00 0.00 N ATOM 188 CA HIS A 34 25.098 11.992 -7.755 1.00 0.00 C ATOM 189 C HIS A 34 25.357 10.658 -7.052 1.00 0.00 C ATOM 190 O HIS A 34 26.291 10.520 -6.286 1.00 0.00 O ATOM 191 CB HIS A 34 26.367 12.846 -7.712 1.00 0.00 C ATOM 192 CG HIS A 34 27.419 12.227 -8.591 1.00 0.00 C ATOM 193 ND1 HIS A 34 28.176 11.139 -8.185 1.00 0.00 N ATOM 194 CD2 HIS A 34 27.851 12.532 -9.858 1.00 0.00 C ATOM 195 CE1 HIS A 34 29.016 10.832 -9.190 1.00 0.00 C ATOM 196 NE2 HIS A 34 28.859 11.650 -10.234 1.00 0.00 N ATOM 0 H HIS A 34 23.700 12.306 -6.174 1.00 0.00 H new ATOM 0 HA HIS A 34 24.819 11.808 -8.792 1.00 0.00 H new ATOM 0 HB2 HIS A 34 26.148 13.859 -8.048 1.00 0.00 H new ATOM 0 HB3 HIS A 34 26.732 12.922 -6.688 1.00 0.00 H new ATOM 0 HD1 HIS A 34 28.108 10.659 -7.288 1.00 0.00 H new ATOM 0 HD2 HIS A 34 27.467 13.335 -10.470 1.00 0.00 H new ATOM 0 HE1 HIS A 34 29.730 10.023 -9.157 1.00 0.00 H new ATOM 204 N SER A 35 24.538 9.673 -7.305 1.00 0.00 N ATOM 205 CA SER A 35 24.739 8.350 -6.651 1.00 0.00 C ATOM 206 C SER A 35 23.814 7.316 -7.295 1.00 0.00 C ATOM 207 O SER A 35 24.058 6.127 -7.233 1.00 0.00 O ATOM 208 CB SER A 35 24.416 8.464 -5.159 1.00 0.00 C ATOM 209 OG SER A 35 24.748 7.247 -4.508 1.00 0.00 O ATOM 0 H SER A 35 23.739 9.728 -7.936 1.00 0.00 H new ATOM 0 HA SER A 35 25.776 8.037 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 35 24.975 9.289 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 35 23.358 8.686 -5.021 1.00 0.00 H new ATOM 0 HG SER A 35 24.543 7.320 -3.553 1.00 0.00 H new ATOM 215 N GLY A 36 22.753 7.758 -7.913 1.00 0.00 N ATOM 216 CA GLY A 36 21.814 6.799 -8.561 1.00 0.00 C ATOM 217 C GLY A 36 20.998 6.080 -7.485 1.00 0.00 C ATOM 218 O GLY A 36 19.786 6.157 -7.456 1.00 0.00 O ATOM 0 H GLY A 36 22.496 8.741 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.149 7.329 -9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 36 22.370 6.074 -9.156 1.00 0.00 H new ATOM 222 N ARG A 37 21.653 5.382 -6.598 1.00 0.00 N ATOM 223 CA ARG A 37 20.915 4.659 -5.524 1.00 0.00 C ATOM 224 C ARG A 37 19.924 5.614 -4.855 1.00 0.00 C ATOM 225 O ARG A 37 20.034 6.818 -4.972 1.00 0.00 O ATOM 226 CB ARG A 37 21.909 4.141 -4.483 1.00 0.00 C ATOM 227 CG ARG A 37 21.147 3.509 -3.316 1.00 0.00 C ATOM 228 CD ARG A 37 22.111 2.678 -2.466 1.00 0.00 C ATOM 229 NE ARG A 37 23.136 3.573 -1.859 1.00 0.00 N ATOM 230 CZ ARG A 37 24.230 3.067 -1.359 1.00 0.00 C ATOM 231 NH1 ARG A 37 24.427 1.778 -1.391 1.00 0.00 N ATOM 232 NH2 ARG A 37 25.128 3.851 -0.828 1.00 0.00 N ATOM 0 H ARG A 37 22.668 5.281 -6.571 1.00 0.00 H new ATOM 0 HA ARG A 37 20.373 3.819 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 37 22.576 3.407 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 37 22.533 4.959 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 37 20.685 4.286 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.342 2.878 -3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.563 2.152 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 37 22.594 1.919 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 37 22.983 4.581 -1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 37 23.726 1.165 -1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 37 25.282 1.383 -1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 37 24.975 4.859 -0.804 1.00 0.00 H new ATOM 0 HH22 ARG A 37 25.983 3.456 -0.437 1.00 0.00 H new ATOM 246 N ILE A 38 18.955 5.086 -4.153 1.00 0.00 N ATOM 247 CA ILE A 38 17.949 5.961 -3.471 1.00 0.00 C ATOM 248 C ILE A 38 17.577 5.340 -2.125 1.00 0.00 C ATOM 249 O ILE A 38 16.750 4.454 -2.043 1.00 0.00 O ATOM 250 CB ILE A 38 16.702 6.085 -4.358 1.00 0.00 C ATOM 251 CG1 ILE A 38 17.131 6.632 -5.723 1.00 0.00 C ATOM 252 CG2 ILE A 38 15.678 7.039 -3.719 1.00 0.00 C ATOM 253 CD1 ILE A 38 15.897 6.963 -6.568 1.00 0.00 C ATOM 0 H ILE A 38 18.815 4.084 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 38 18.368 6.954 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 38 16.236 5.106 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.741 7.526 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 38 17.749 5.898 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.801 7.115 -4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.381 6.654 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.126 8.026 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 38 16.213 7.351 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 38 15.304 6.060 -6.715 1.00 0.00 H new ATOM 0 HD13 ILE A 38 15.295 7.713 -6.055 1.00 0.00 H new ATOM 265 N ALA A 39 18.189 5.805 -1.069 1.00 0.00 N ATOM 266 CA ALA A 39 17.888 5.258 0.291 1.00 0.00 C ATOM 267 C ALA A 39 16.951 6.218 1.028 1.00 0.00 C ATOM 268 O ALA A 39 17.339 7.301 1.419 1.00 0.00 O ATOM 269 CB ALA A 39 19.194 5.119 1.075 1.00 0.00 C ATOM 0 H ALA A 39 18.890 6.546 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 39 17.409 4.283 0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 39 18.982 4.721 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 39 19.865 4.441 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 39 19.667 6.096 1.170 1.00 0.00 H new ATOM 275 N ALA A 40 15.716 5.833 1.213 1.00 0.00 N ATOM 276 CA ALA A 40 14.747 6.725 1.917 1.00 0.00 C ATOM 277 C ALA A 40 13.673 5.878 2.615 1.00 0.00 C ATOM 278 O ALA A 40 13.738 4.661 2.638 1.00 0.00 O ATOM 279 CB ALA A 40 14.099 7.667 0.891 1.00 0.00 C ATOM 0 H ALA A 40 15.335 4.938 0.907 1.00 0.00 H new ATOM 0 HA ALA A 40 15.267 7.315 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.390 8.322 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.871 8.269 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.576 7.079 0.137 1.00 0.00 H new ATOM 285 N VAL A 41 12.692 6.520 3.191 1.00 0.00 N ATOM 286 CA VAL A 41 11.606 5.775 3.896 1.00 0.00 C ATOM 287 C VAL A 41 10.665 5.160 2.857 1.00 0.00 C ATOM 288 O VAL A 41 10.419 5.731 1.813 1.00 0.00 O ATOM 289 CB VAL A 41 10.823 6.744 4.789 1.00 0.00 C ATOM 290 CG1 VAL A 41 9.659 6.017 5.469 1.00 0.00 C ATOM 291 CG2 VAL A 41 11.751 7.315 5.864 1.00 0.00 C ATOM 0 H VAL A 41 12.595 7.535 3.204 1.00 0.00 H new ATOM 0 HA VAL A 41 12.038 4.985 4.511 1.00 0.00 H new ATOM 0 HB VAL A 41 10.431 7.550 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.112 6.717 6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.989 5.613 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.047 5.203 6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.193 8.004 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.147 6.502 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.575 7.847 5.388 1.00 0.00 H new ATOM 301 N HIS A 42 10.146 3.997 3.132 1.00 0.00 N ATOM 302 CA HIS A 42 9.228 3.329 2.161 1.00 0.00 C ATOM 303 C HIS A 42 8.262 2.411 2.916 1.00 0.00 C ATOM 304 O HIS A 42 8.632 1.753 3.867 1.00 0.00 O ATOM 305 CB HIS A 42 10.060 2.471 1.197 1.00 0.00 C ATOM 306 CG HIS A 42 10.610 3.308 0.074 1.00 0.00 C ATOM 307 ND1 HIS A 42 11.621 4.235 0.025 1.00 0.00 N flip ATOM 308 CD2 HIS A 42 10.121 3.213 -1.218 1.00 0.00 C flip ATOM 309 CE1 HIS A 42 11.759 4.708 -1.276 1.00 0.00 C flip ATOM 310 NE2 HIS A 42 10.832 4.059 -1.983 1.00 0.00 N flip ATOM 0 H HIS A 42 10.317 3.475 3.992 1.00 0.00 H new ATOM 0 HA HIS A 42 8.668 4.086 1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.879 1.998 1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.442 1.670 0.791 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.315 2.575 -1.550 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.464 5.442 -1.636 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.681 4.189 -2.983 1.00 0.00 H new ATOM 318 N ASN A 43 7.037 2.336 2.476 1.00 0.00 N ATOM 319 CA ASN A 43 6.065 1.431 3.145 1.00 0.00 C ATOM 320 C ASN A 43 6.313 0.009 2.635 1.00 0.00 C ATOM 321 O ASN A 43 5.801 -0.389 1.607 1.00 0.00 O ATOM 322 CB ASN A 43 4.644 1.863 2.791 1.00 0.00 C ATOM 323 CG ASN A 43 4.323 3.176 3.502 1.00 0.00 C ATOM 324 OD1 ASN A 43 5.083 3.631 4.334 1.00 0.00 O ATOM 325 ND2 ASN A 43 3.223 3.808 3.210 1.00 0.00 N ATOM 0 H ASN A 43 6.668 2.862 1.683 1.00 0.00 H new ATOM 0 HA ASN A 43 6.188 1.471 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.548 1.987 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.933 1.092 3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.999 4.685 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.585 3.426 2.512 1.00 0.00 H new ATOM 332 N VAL A 44 7.109 -0.754 3.334 1.00 0.00 N ATOM 333 CA VAL A 44 7.408 -2.146 2.876 1.00 0.00 C ATOM 334 C VAL A 44 6.312 -3.103 3.401 1.00 0.00 C ATOM 335 O VAL A 44 6.075 -3.158 4.592 1.00 0.00 O ATOM 336 CB VAL A 44 8.796 -2.563 3.405 1.00 0.00 C ATOM 337 CG1 VAL A 44 8.727 -2.936 4.887 1.00 0.00 C ATOM 338 CG2 VAL A 44 9.314 -3.766 2.612 1.00 0.00 C ATOM 0 H VAL A 44 7.566 -0.476 4.202 1.00 0.00 H new ATOM 0 HA VAL A 44 7.418 -2.192 1.787 1.00 0.00 H new ATOM 0 HB VAL A 44 9.472 -1.717 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.718 -3.226 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.377 -2.079 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.037 -3.769 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.294 -4.056 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.621 -4.600 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.396 -3.499 1.558 1.00 0.00 H new ATOM 348 N PRO A 45 5.631 -3.850 2.543 1.00 0.00 N ATOM 349 CA PRO A 45 4.551 -4.786 2.993 1.00 0.00 C ATOM 350 C PRO A 45 4.953 -5.659 4.185 1.00 0.00 C ATOM 351 O PRO A 45 6.066 -6.131 4.282 1.00 0.00 O ATOM 352 CB PRO A 45 4.296 -5.666 1.763 1.00 0.00 C ATOM 353 CG PRO A 45 4.648 -4.805 0.597 1.00 0.00 C ATOM 354 CD PRO A 45 5.789 -3.893 1.066 1.00 0.00 C ATOM 0 HA PRO A 45 3.679 -4.232 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.908 -6.567 1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.256 -5.989 1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.959 -5.411 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.789 -4.218 0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.762 -4.292 0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.711 -2.898 0.627 1.00 0.00 H new ATOM 362 N LEU A 46 4.036 -5.886 5.084 1.00 0.00 N ATOM 363 CA LEU A 46 4.341 -6.743 6.259 1.00 0.00 C ATOM 364 C LEU A 46 4.533 -8.188 5.793 1.00 0.00 C ATOM 365 O LEU A 46 5.229 -8.969 6.412 1.00 0.00 O ATOM 366 CB LEU A 46 3.157 -6.723 7.227 1.00 0.00 C ATOM 367 CG LEU A 46 2.914 -5.302 7.786 1.00 0.00 C ATOM 368 CD1 LEU A 46 1.427 -5.130 8.085 1.00 0.00 C ATOM 369 CD2 LEU A 46 3.703 -5.076 9.086 1.00 0.00 C ATOM 0 H LEU A 46 3.087 -5.513 5.054 1.00 0.00 H new ATOM 0 HA LEU A 46 5.241 -6.369 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.260 -7.074 6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.345 -7.413 8.050 1.00 0.00 H new ATOM 0 HG LEU A 46 3.247 -4.579 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.249 -4.130 8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.853 -5.266 7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.116 -5.871 8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.513 -4.069 9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.388 -5.803 9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.769 -5.196 8.890 1.00 0.00 H new ATOM 381 N SER A 47 3.874 -8.558 4.729 1.00 0.00 N ATOM 382 CA SER A 47 3.957 -9.968 4.239 1.00 0.00 C ATOM 383 C SER A 47 5.319 -10.296 3.600 1.00 0.00 C ATOM 384 O SER A 47 5.608 -11.452 3.363 1.00 0.00 O ATOM 385 CB SER A 47 2.847 -10.207 3.210 1.00 0.00 C ATOM 386 OG SER A 47 2.626 -11.603 3.071 1.00 0.00 O ATOM 0 H SER A 47 3.278 -7.943 4.174 1.00 0.00 H new ATOM 0 HA SER A 47 3.838 -10.622 5.103 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.929 -9.712 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.127 -9.774 2.249 1.00 0.00 H new ATOM 0 HG SER A 47 3.486 -12.073 3.078 1.00 0.00 H new ATOM 392 N VAL A 48 6.155 -9.321 3.305 1.00 0.00 N ATOM 393 CA VAL A 48 7.481 -9.633 2.666 1.00 0.00 C ATOM 394 C VAL A 48 8.636 -9.314 3.626 1.00 0.00 C ATOM 395 O VAL A 48 9.749 -9.067 3.206 1.00 0.00 O ATOM 396 CB VAL A 48 7.637 -8.817 1.374 1.00 0.00 C ATOM 397 CG1 VAL A 48 6.378 -8.959 0.514 1.00 0.00 C ATOM 398 CG2 VAL A 48 7.872 -7.338 1.694 1.00 0.00 C ATOM 0 H VAL A 48 5.979 -8.331 3.477 1.00 0.00 H new ATOM 0 HA VAL A 48 7.512 -10.697 2.431 1.00 0.00 H new ATOM 0 HB VAL A 48 8.499 -9.200 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.495 -8.378 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.227 -10.008 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.515 -8.592 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.980 -6.778 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.024 -6.948 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.780 -7.234 2.288 1.00 0.00 H new ATOM 408 N LEU A 49 8.394 -9.337 4.913 1.00 0.00 N ATOM 409 CA LEU A 49 9.488 -9.054 5.891 1.00 0.00 C ATOM 410 C LEU A 49 10.092 -10.377 6.362 1.00 0.00 C ATOM 411 O LEU A 49 9.388 -11.303 6.713 1.00 0.00 O ATOM 412 CB LEU A 49 8.919 -8.319 7.108 1.00 0.00 C ATOM 413 CG LEU A 49 8.526 -6.879 6.742 1.00 0.00 C ATOM 414 CD1 LEU A 49 7.851 -6.232 7.956 1.00 0.00 C ATOM 415 CD2 LEU A 49 9.772 -6.060 6.348 1.00 0.00 C ATOM 0 H LEU A 49 7.485 -9.540 5.329 1.00 0.00 H new ATOM 0 HA LEU A 49 10.248 -8.438 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.048 -8.853 7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.658 -8.307 7.909 1.00 0.00 H new ATOM 0 HG LEU A 49 7.843 -6.897 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.566 -5.209 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.962 -6.802 8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.545 -6.224 8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.473 -5.043 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.470 -6.034 7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.255 -6.523 5.488 1.00 0.00 H new ATOM 427 N ILE A 50 11.394 -10.468 6.380 1.00 0.00 N ATOM 428 CA ILE A 50 12.062 -11.726 6.836 1.00 0.00 C ATOM 429 C ILE A 50 12.508 -11.569 8.291 1.00 0.00 C ATOM 430 O ILE A 50 13.341 -10.741 8.610 1.00 0.00 O ATOM 431 CB ILE A 50 13.284 -12.001 5.960 1.00 0.00 C ATOM 432 CG1 ILE A 50 12.823 -12.271 4.527 1.00 0.00 C ATOM 433 CG2 ILE A 50 14.031 -13.224 6.496 1.00 0.00 C ATOM 434 CD1 ILE A 50 14.036 -12.320 3.596 1.00 0.00 C ATOM 0 H ILE A 50 12.029 -9.722 6.097 1.00 0.00 H new ATOM 0 HA ILE A 50 11.361 -12.557 6.757 1.00 0.00 H new ATOM 0 HB ILE A 50 13.949 -11.137 5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 50 12.279 -13.214 4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.135 -11.490 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.903 -13.421 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.353 -13.034 7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.370 -14.090 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.704 -12.513 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.562 -11.366 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.708 -13.117 3.915 1.00 0.00 H new ATOM 446 N ARG A 51 11.957 -12.364 9.175 1.00 0.00 N ATOM 447 CA ARG A 51 12.335 -12.286 10.622 1.00 0.00 C ATOM 448 C ARG A 51 12.609 -13.701 11.159 1.00 0.00 C ATOM 449 O ARG A 51 11.695 -14.398 11.556 1.00 0.00 O ATOM 450 CB ARG A 51 11.165 -11.687 11.405 1.00 0.00 C ATOM 451 CG ARG A 51 10.818 -10.308 10.837 1.00 0.00 C ATOM 452 CD ARG A 51 9.927 -9.553 11.829 1.00 0.00 C ATOM 453 NE ARG A 51 9.727 -8.152 11.355 1.00 0.00 N ATOM 454 CZ ARG A 51 10.588 -7.219 11.667 1.00 0.00 C ATOM 455 NH1 ARG A 51 11.638 -7.507 12.388 1.00 0.00 N ATOM 456 NH2 ARG A 51 10.399 -5.995 11.254 1.00 0.00 N ATOM 0 H ARG A 51 11.255 -13.070 8.955 1.00 0.00 H new ATOM 0 HA ARG A 51 13.227 -11.669 10.734 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.298 -12.345 11.343 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.426 -11.602 12.460 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.730 -9.742 10.648 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.305 -10.416 9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.965 -10.056 11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.386 -9.551 12.818 1.00 0.00 H new ATOM 0 HE ARG A 51 8.914 -7.921 10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.789 -8.463 12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.307 -6.776 12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.581 -5.768 10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.070 -5.266 11.496 1.00 0.00 H new ATOM 470 N PRO A 52 13.852 -14.124 11.193 1.00 0.00 N ATOM 471 CA PRO A 52 14.241 -15.462 11.710 1.00 0.00 C ATOM 472 C PRO A 52 14.707 -15.410 13.170 1.00 0.00 C ATOM 473 O PRO A 52 15.501 -16.223 13.599 1.00 0.00 O ATOM 474 CB PRO A 52 15.414 -15.803 10.803 1.00 0.00 C ATOM 475 CG PRO A 52 16.128 -14.492 10.641 1.00 0.00 C ATOM 476 CD PRO A 52 15.044 -13.394 10.724 1.00 0.00 C ATOM 0 HA PRO A 52 13.420 -16.179 11.702 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.060 -16.559 11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.078 -16.198 9.844 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.877 -14.358 11.421 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.652 -14.450 9.686 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.328 -12.601 11.416 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.872 -12.925 9.755 1.00 0.00 H new ATOM 484 N LEU A 53 14.239 -14.450 13.929 1.00 0.00 N ATOM 485 CA LEU A 53 14.676 -14.326 15.357 1.00 0.00 C ATOM 486 C LEU A 53 13.447 -13.967 16.231 1.00 0.00 C ATOM 487 O LEU A 53 12.895 -12.894 16.089 1.00 0.00 O ATOM 488 CB LEU A 53 15.741 -13.195 15.435 1.00 0.00 C ATOM 489 CG LEU A 53 17.132 -13.753 15.811 1.00 0.00 C ATOM 490 CD1 LEU A 53 17.589 -14.807 14.778 1.00 0.00 C ATOM 491 CD2 LEU A 53 18.149 -12.595 15.861 1.00 0.00 C ATOM 0 H LEU A 53 13.571 -13.744 13.621 1.00 0.00 H new ATOM 0 HA LEU A 53 15.103 -15.261 15.719 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.801 -12.683 14.475 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.433 -12.454 16.173 1.00 0.00 H new ATOM 0 HG LEU A 53 17.071 -14.231 16.789 1.00 0.00 H new ATOM 0 HD11 LEU A 53 18.570 -15.189 15.058 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.873 -15.628 14.755 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.647 -14.348 13.791 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.132 -12.985 16.126 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.201 -12.114 14.884 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.834 -11.866 16.608 1.00 0.00 H new ATOM 503 N PRO A 54 13.012 -14.838 17.127 1.00 0.00 N ATOM 504 CA PRO A 54 11.833 -14.549 17.998 1.00 0.00 C ATOM 505 C PRO A 54 12.193 -13.591 19.141 1.00 0.00 C ATOM 506 O PRO A 54 13.352 -13.365 19.427 1.00 0.00 O ATOM 507 CB PRO A 54 11.430 -15.930 18.529 1.00 0.00 C ATOM 508 CG PRO A 54 12.703 -16.714 18.564 1.00 0.00 C ATOM 509 CD PRO A 54 13.579 -16.174 17.422 1.00 0.00 C ATOM 0 HA PRO A 54 11.027 -14.051 17.459 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.983 -15.857 19.521 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.692 -16.403 17.881 1.00 0.00 H new ATOM 0 HG2 PRO A 54 13.204 -16.598 19.525 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.507 -17.778 18.433 1.00 0.00 H new ATOM 0 HD2 PRO A 54 14.625 -16.105 17.721 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.540 -16.825 16.548 1.00 0.00 H new ATOM 517 N SER A 55 11.213 -13.022 19.795 1.00 0.00 N ATOM 518 CA SER A 55 11.511 -12.076 20.913 1.00 0.00 C ATOM 519 C SER A 55 10.396 -12.138 21.959 1.00 0.00 C ATOM 520 O SER A 55 9.321 -12.648 21.714 1.00 0.00 O ATOM 521 CB SER A 55 11.601 -10.651 20.357 1.00 0.00 C ATOM 522 OG SER A 55 12.886 -10.444 19.789 1.00 0.00 O ATOM 0 H SER A 55 10.222 -13.171 19.604 1.00 0.00 H new ATOM 0 HA SER A 55 12.457 -12.355 21.378 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.829 -10.494 19.604 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.422 -9.927 21.152 1.00 0.00 H new ATOM 0 HG SER A 55 13.308 -11.310 19.609 1.00 0.00 H new ATOM 528 N VAL A 56 10.647 -11.597 23.122 1.00 0.00 N ATOM 529 CA VAL A 56 9.613 -11.588 24.197 1.00 0.00 C ATOM 530 C VAL A 56 8.885 -10.246 24.148 1.00 0.00 C ATOM 531 O VAL A 56 9.445 -9.214 24.460 1.00 0.00 O ATOM 532 CB VAL A 56 10.289 -11.754 25.560 1.00 0.00 C ATOM 533 CG1 VAL A 56 9.238 -11.651 26.667 1.00 0.00 C ATOM 534 CG2 VAL A 56 10.970 -13.123 25.628 1.00 0.00 C ATOM 0 H VAL A 56 11.532 -11.157 23.375 1.00 0.00 H new ATOM 0 HA VAL A 56 8.908 -12.406 24.049 1.00 0.00 H new ATOM 0 HB VAL A 56 11.035 -10.970 25.694 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.719 -11.769 27.638 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.753 -10.676 26.619 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.492 -12.434 26.534 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.452 -13.242 26.599 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.225 -13.907 25.494 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.719 -13.196 24.840 1.00 0.00 H new ATOM 544 N LEU A 57 7.647 -10.245 23.736 1.00 0.00 N ATOM 545 CA LEU A 57 6.890 -8.964 23.640 1.00 0.00 C ATOM 546 C LEU A 57 6.182 -8.650 24.951 1.00 0.00 C ATOM 547 O LEU A 57 5.721 -9.520 25.663 1.00 0.00 O ATOM 548 CB LEU A 57 5.844 -9.063 22.537 1.00 0.00 C ATOM 549 CG LEU A 57 6.522 -9.398 21.203 1.00 0.00 C ATOM 550 CD1 LEU A 57 5.441 -9.654 20.147 1.00 0.00 C ATOM 551 CD2 LEU A 57 7.418 -8.229 20.759 1.00 0.00 C ATOM 0 H LEU A 57 7.126 -11.078 23.461 1.00 0.00 H new ATOM 0 HA LEU A 57 7.602 -8.170 23.417 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.112 -9.831 22.786 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.301 -8.121 22.453 1.00 0.00 H new ATOM 0 HG LEU A 57 7.141 -10.287 21.321 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.913 -9.893 19.194 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.815 -10.489 20.462 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.825 -8.762 20.033 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.895 -8.476 19.811 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.811 -7.332 20.637 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.183 -8.050 21.514 1.00 0.00 H new ATOM 563 N ASP A 58 6.083 -7.389 25.249 1.00 0.00 N ATOM 564 CA ASP A 58 5.397 -6.928 26.488 1.00 0.00 C ATOM 565 C ASP A 58 4.023 -6.353 26.083 1.00 0.00 C ATOM 566 O ASP A 58 3.936 -5.604 25.132 1.00 0.00 O ATOM 567 CB ASP A 58 6.251 -5.832 27.130 1.00 0.00 C ATOM 568 CG ASP A 58 5.464 -5.149 28.251 1.00 0.00 C ATOM 569 OD1 ASP A 58 4.579 -4.370 27.938 1.00 0.00 O ATOM 570 OD2 ASP A 58 5.761 -5.416 29.404 1.00 0.00 O ATOM 0 H ASP A 58 6.458 -6.637 24.671 1.00 0.00 H new ATOM 0 HA ASP A 58 5.262 -7.746 27.196 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.170 -6.261 27.528 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.542 -5.098 26.378 1.00 0.00 H new ATOM 575 N PRO A 59 2.953 -6.698 26.768 1.00 0.00 N ATOM 576 CA PRO A 59 1.592 -6.191 26.411 1.00 0.00 C ATOM 577 C PRO A 59 1.391 -4.716 26.788 1.00 0.00 C ATOM 578 O PRO A 59 0.565 -4.031 26.223 1.00 0.00 O ATOM 579 CB PRO A 59 0.649 -7.099 27.213 1.00 0.00 C ATOM 580 CG PRO A 59 1.446 -7.516 28.408 1.00 0.00 C ATOM 581 CD PRO A 59 2.906 -7.593 27.943 1.00 0.00 C ATOM 0 HA PRO A 59 1.416 -6.223 25.336 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.256 -6.568 27.507 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.336 -7.962 26.625 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.334 -6.798 29.221 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.106 -8.481 28.785 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.592 -7.264 28.724 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.188 -8.612 27.680 1.00 0.00 H new ATOM 589 N ALA A 60 2.136 -4.220 27.733 1.00 0.00 N ATOM 590 CA ALA A 60 1.974 -2.792 28.129 1.00 0.00 C ATOM 591 C ALA A 60 2.744 -1.905 27.151 1.00 0.00 C ATOM 592 O ALA A 60 2.344 -0.799 26.847 1.00 0.00 O ATOM 593 CB ALA A 60 2.525 -2.592 29.543 1.00 0.00 C ATOM 0 H ALA A 60 2.848 -4.738 28.248 1.00 0.00 H new ATOM 0 HA ALA A 60 0.918 -2.524 28.109 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.408 -1.548 29.835 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.978 -3.227 30.240 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.582 -2.858 29.563 1.00 0.00 H new ATOM 599 N LYS A 61 3.853 -2.384 26.665 1.00 0.00 N ATOM 600 CA LYS A 61 4.669 -1.585 25.720 1.00 0.00 C ATOM 601 C LYS A 61 4.012 -1.582 24.327 1.00 0.00 C ATOM 602 O LYS A 61 4.131 -0.627 23.584 1.00 0.00 O ATOM 603 CB LYS A 61 6.082 -2.204 25.669 1.00 0.00 C ATOM 604 CG LYS A 61 7.140 -1.102 25.626 1.00 0.00 C ATOM 605 CD LYS A 61 8.534 -1.730 25.565 1.00 0.00 C ATOM 606 CE LYS A 61 9.589 -0.658 25.847 1.00 0.00 C ATOM 607 NZ LYS A 61 10.944 -1.276 25.820 1.00 0.00 N ATOM 0 H LYS A 61 4.231 -3.305 26.886 1.00 0.00 H new ATOM 0 HA LYS A 61 4.737 -0.549 26.051 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.241 -2.837 26.542 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.176 -2.843 24.791 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.979 -0.464 24.757 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.054 -0.467 26.508 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.614 -2.535 26.295 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.703 -2.172 24.583 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.525 0.136 25.103 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.406 -0.199 26.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.662 -0.548 26.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.002 -2.018 26.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.116 -1.694 24.883 1.00 0.00 H new ATOM 621 N VAL A 62 3.313 -2.629 23.967 1.00 0.00 N ATOM 622 CA VAL A 62 2.655 -2.654 22.631 1.00 0.00 C ATOM 623 C VAL A 62 1.458 -1.709 22.668 1.00 0.00 C ATOM 624 O VAL A 62 1.307 -0.844 21.832 1.00 0.00 O ATOM 625 CB VAL A 62 2.187 -4.080 22.310 1.00 0.00 C ATOM 626 CG1 VAL A 62 1.296 -4.067 21.066 1.00 0.00 C ATOM 627 CG2 VAL A 62 3.404 -4.972 22.046 1.00 0.00 C ATOM 0 H VAL A 62 3.172 -3.462 24.539 1.00 0.00 H new ATOM 0 HA VAL A 62 3.357 -2.337 21.860 1.00 0.00 H new ATOM 0 HB VAL A 62 1.622 -4.468 23.158 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.967 -5.082 20.843 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.426 -3.435 21.248 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.859 -3.674 20.219 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.070 -5.984 21.818 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.968 -4.577 21.201 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.041 -4.990 22.931 1.00 0.00 H new ATOM 637 N GLN A 63 0.613 -1.866 23.646 1.00 0.00 N ATOM 638 CA GLN A 63 -0.575 -0.979 23.764 1.00 0.00 C ATOM 639 C GLN A 63 -0.120 0.480 23.665 1.00 0.00 C ATOM 640 O GLN A 63 -0.763 1.300 23.039 1.00 0.00 O ATOM 641 CB GLN A 63 -1.240 -1.229 25.123 1.00 0.00 C ATOM 642 CG GLN A 63 -2.145 -2.472 25.069 1.00 0.00 C ATOM 643 CD GLN A 63 -1.467 -3.626 24.317 1.00 0.00 C ATOM 644 OE1 GLN A 63 -1.095 -3.492 23.170 1.00 0.00 O ATOM 645 NE2 GLN A 63 -1.308 -4.772 24.921 1.00 0.00 N ATOM 0 H GLN A 63 0.695 -2.576 24.374 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.287 -1.187 22.966 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.475 -1.364 25.888 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.828 -0.358 25.411 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.390 -2.790 26.082 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.085 -2.219 24.579 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.620 -4.888 25.885 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.872 -5.552 24.429 1.00 0.00 H new ATOM 654 N SER A 64 0.986 0.809 24.275 1.00 0.00 N ATOM 655 CA SER A 64 1.483 2.212 24.212 1.00 0.00 C ATOM 656 C SER A 64 1.773 2.585 22.756 1.00 0.00 C ATOM 657 O SER A 64 1.477 3.678 22.315 1.00 0.00 O ATOM 658 CB SER A 64 2.765 2.337 25.037 1.00 0.00 C ATOM 659 OG SER A 64 3.212 3.685 25.016 1.00 0.00 O ATOM 0 H SER A 64 1.567 0.167 24.814 1.00 0.00 H new ATOM 0 HA SER A 64 0.726 2.885 24.615 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.582 2.019 26.063 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.536 1.681 24.633 1.00 0.00 H new ATOM 0 HG SER A 64 4.153 3.722 25.287 1.00 0.00 H new ATOM 665 N LEU A 65 2.350 1.685 22.007 1.00 0.00 N ATOM 666 CA LEU A 65 2.659 1.984 20.583 1.00 0.00 C ATOM 667 C LEU A 65 1.355 1.955 19.775 1.00 0.00 C ATOM 668 O LEU A 65 1.083 2.838 18.986 1.00 0.00 O ATOM 669 CB LEU A 65 3.647 0.921 20.064 1.00 0.00 C ATOM 670 CG LEU A 65 5.102 1.413 20.238 1.00 0.00 C ATOM 671 CD1 LEU A 65 6.049 0.211 20.323 1.00 0.00 C ATOM 672 CD2 LEU A 65 5.502 2.292 19.046 1.00 0.00 C ATOM 0 H LEU A 65 2.621 0.754 22.322 1.00 0.00 H new ATOM 0 HA LEU A 65 3.111 2.971 20.481 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.504 -0.014 20.606 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.449 0.713 19.012 1.00 0.00 H new ATOM 0 HG LEU A 65 5.171 1.996 21.156 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.073 0.563 20.446 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.774 -0.409 21.176 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.974 -0.377 19.408 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.528 2.635 19.175 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.426 1.713 18.125 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.836 3.153 18.989 1.00 0.00 H new ATOM 684 N VAL A 66 0.543 0.955 19.976 1.00 0.00 N ATOM 685 CA VAL A 66 -0.743 0.873 19.237 1.00 0.00 C ATOM 686 C VAL A 66 -1.532 2.162 19.485 1.00 0.00 C ATOM 687 O VAL A 66 -2.239 2.648 18.624 1.00 0.00 O ATOM 688 CB VAL A 66 -1.525 -0.336 19.762 1.00 0.00 C ATOM 689 CG1 VAL A 66 -2.971 -0.292 19.267 1.00 0.00 C ATOM 690 CG2 VAL A 66 -0.858 -1.623 19.272 1.00 0.00 C ATOM 0 H VAL A 66 0.718 0.188 20.625 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.572 0.758 18.167 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.525 -0.310 20.852 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.513 -1.157 19.649 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.449 0.621 19.622 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.983 -0.308 18.177 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.412 -2.485 19.644 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.853 -1.638 18.182 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.167 -1.665 19.640 1.00 0.00 H new ATOM 700 N ASP A 67 -1.409 2.719 20.659 1.00 0.00 N ATOM 701 CA ASP A 67 -2.137 3.975 20.977 1.00 0.00 C ATOM 702 C ASP A 67 -1.435 5.160 20.301 1.00 0.00 C ATOM 703 O ASP A 67 -2.066 6.114 19.894 1.00 0.00 O ATOM 704 CB ASP A 67 -2.135 4.174 22.498 1.00 0.00 C ATOM 705 CG ASP A 67 -3.246 3.332 23.134 1.00 0.00 C ATOM 706 OD1 ASP A 67 -3.790 2.487 22.443 1.00 0.00 O ATOM 707 OD2 ASP A 67 -3.531 3.548 24.300 1.00 0.00 O ATOM 0 H ASP A 67 -0.831 2.353 21.415 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.162 3.913 20.613 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.168 3.887 22.910 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.283 5.227 22.736 1.00 0.00 H new ATOM 712 N THR A 68 -0.136 5.110 20.186 1.00 0.00 N ATOM 713 CA THR A 68 0.597 6.236 19.545 1.00 0.00 C ATOM 714 C THR A 68 0.239 6.296 18.060 1.00 0.00 C ATOM 715 O THR A 68 -0.137 7.328 17.541 1.00 0.00 O ATOM 716 CB THR A 68 2.104 6.013 19.701 1.00 0.00 C ATOM 717 OG1 THR A 68 2.385 5.609 21.033 1.00 0.00 O ATOM 718 CG2 THR A 68 2.846 7.312 19.392 1.00 0.00 C ATOM 0 H THR A 68 0.448 4.338 20.508 1.00 0.00 H new ATOM 0 HA THR A 68 0.317 7.175 20.023 1.00 0.00 H new ATOM 0 HB THR A 68 2.432 5.237 19.009 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.197 4.652 21.131 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.919 7.154 19.503 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.629 7.621 18.369 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.521 8.090 20.083 1.00 0.00 H new ATOM 726 N ILE A 69 0.352 5.193 17.374 1.00 0.00 N ATOM 727 CA ILE A 69 0.018 5.176 15.923 1.00 0.00 C ATOM 728 C ILE A 69 -1.439 5.615 15.734 1.00 0.00 C ATOM 729 O ILE A 69 -1.765 6.343 14.818 1.00 0.00 O ATOM 730 CB ILE A 69 0.216 3.755 15.376 1.00 0.00 C ATOM 731 CG1 ILE A 69 1.650 3.291 15.686 1.00 0.00 C ATOM 732 CG2 ILE A 69 -0.012 3.746 13.856 1.00 0.00 C ATOM 733 CD1 ILE A 69 1.969 1.999 14.926 1.00 0.00 C ATOM 0 H ILE A 69 0.662 4.300 17.757 1.00 0.00 H new ATOM 0 HA ILE A 69 0.670 5.862 15.382 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.499 3.080 15.847 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.360 4.070 15.406 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.762 3.127 16.758 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.130 2.735 13.473 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.027 4.078 13.638 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.700 4.419 13.377 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.987 1.684 15.156 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.271 1.218 15.227 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.877 2.175 13.854 1.00 0.00 H new ATOM 745 N ARG A 70 -2.319 5.166 16.587 1.00 0.00 N ATOM 746 CA ARG A 70 -3.759 5.544 16.454 1.00 0.00 C ATOM 747 C ARG A 70 -3.983 6.981 16.960 1.00 0.00 C ATOM 748 O ARG A 70 -4.840 7.689 16.468 1.00 0.00 O ATOM 749 CB ARG A 70 -4.621 4.554 17.277 1.00 0.00 C ATOM 750 CG ARG A 70 -5.170 3.437 16.378 1.00 0.00 C ATOM 751 CD ARG A 70 -6.124 2.557 17.189 1.00 0.00 C ATOM 752 NE ARG A 70 -7.194 3.405 17.787 1.00 0.00 N ATOM 753 CZ ARG A 70 -7.963 2.922 18.724 1.00 0.00 C ATOM 754 NH1 ARG A 70 -7.795 1.695 19.138 1.00 0.00 N ATOM 755 NH2 ARG A 70 -8.900 3.664 19.246 1.00 0.00 N ATOM 0 H ARG A 70 -2.104 4.552 17.373 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.048 5.498 15.404 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.022 4.122 18.078 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.447 5.087 17.748 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.692 3.866 15.523 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.350 2.837 15.983 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.565 1.794 16.548 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.576 2.036 17.974 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.325 4.363 17.464 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.063 1.114 18.729 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.396 1.317 19.870 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.032 4.622 18.922 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.501 3.286 19.978 1.00 0.00 H new ATOM 769 N GLU A 71 -3.242 7.413 17.947 1.00 0.00 N ATOM 770 CA GLU A 71 -3.440 8.794 18.485 1.00 0.00 C ATOM 771 C GLU A 71 -2.571 9.792 17.719 1.00 0.00 C ATOM 772 O GLU A 71 -2.942 10.933 17.529 1.00 0.00 O ATOM 773 CB GLU A 71 -3.047 8.818 19.962 1.00 0.00 C ATOM 774 CG GLU A 71 -3.479 10.147 20.581 1.00 0.00 C ATOM 775 CD GLU A 71 -3.113 10.162 22.067 1.00 0.00 C ATOM 776 OE1 GLU A 71 -2.025 9.715 22.393 1.00 0.00 O ATOM 777 OE2 GLU A 71 -3.926 10.619 22.853 1.00 0.00 O ATOM 0 H GLU A 71 -2.509 6.871 18.404 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.487 9.073 18.370 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.519 7.989 20.489 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.970 8.689 20.065 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.991 10.975 20.067 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.553 10.285 20.459 1.00 0.00 H new ATOM 784 N ASP A 72 -1.411 9.380 17.291 1.00 0.00 N ATOM 785 CA ASP A 72 -0.513 10.315 16.552 1.00 0.00 C ATOM 786 C ASP A 72 0.491 9.506 15.710 1.00 0.00 C ATOM 787 O ASP A 72 1.495 9.055 16.226 1.00 0.00 O ATOM 788 CB ASP A 72 0.253 11.165 17.573 1.00 0.00 C ATOM 789 CG ASP A 72 0.836 12.401 16.885 1.00 0.00 C ATOM 790 OD1 ASP A 72 0.069 13.140 16.289 1.00 0.00 O ATOM 791 OD2 ASP A 72 2.039 12.587 16.966 1.00 0.00 O ATOM 0 H ASP A 72 -1.044 8.437 17.420 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.101 10.955 15.894 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.413 11.468 18.381 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.053 10.577 18.023 1.00 0.00 H new ATOM 796 N PRO A 73 0.240 9.302 14.432 1.00 0.00 N ATOM 797 CA PRO A 73 1.168 8.515 13.566 1.00 0.00 C ATOM 798 C PRO A 73 2.428 9.301 13.168 1.00 0.00 C ATOM 799 O PRO A 73 3.295 8.788 12.488 1.00 0.00 O ATOM 800 CB PRO A 73 0.312 8.175 12.339 1.00 0.00 C ATOM 801 CG PRO A 73 -0.674 9.296 12.235 1.00 0.00 C ATOM 802 CD PRO A 73 -0.937 9.781 13.668 1.00 0.00 C ATOM 0 HA PRO A 73 1.555 7.636 14.081 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.923 8.101 11.439 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.191 7.216 12.462 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.279 10.104 11.619 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.597 8.958 11.764 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.026 10.866 13.712 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.865 9.369 14.065 1.00 0.00 H new ATOM 810 N ASP A 74 2.541 10.536 13.582 1.00 0.00 N ATOM 811 CA ASP A 74 3.750 11.341 13.221 1.00 0.00 C ATOM 812 C ASP A 74 4.850 11.142 14.276 1.00 0.00 C ATOM 813 O ASP A 74 6.013 11.012 13.950 1.00 0.00 O ATOM 814 CB ASP A 74 3.369 12.823 13.150 1.00 0.00 C ATOM 815 CG ASP A 74 2.452 13.173 14.323 1.00 0.00 C ATOM 816 OD1 ASP A 74 1.326 12.705 14.328 1.00 0.00 O ATOM 817 OD2 ASP A 74 2.892 13.905 15.195 1.00 0.00 O ATOM 0 H ASP A 74 1.851 11.023 14.154 1.00 0.00 H new ATOM 0 HA ASP A 74 4.125 11.011 12.252 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.266 13.441 13.179 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.866 13.035 12.206 1.00 0.00 H new ATOM 822 N SER A 75 4.496 11.123 15.534 1.00 0.00 N ATOM 823 CA SER A 75 5.527 10.939 16.601 1.00 0.00 C ATOM 824 C SER A 75 6.034 9.490 16.592 1.00 0.00 C ATOM 825 O SER A 75 6.509 8.993 17.594 1.00 0.00 O ATOM 826 CB SER A 75 4.913 11.246 17.971 1.00 0.00 C ATOM 827 OG SER A 75 5.924 11.178 18.966 1.00 0.00 O ATOM 0 H SER A 75 3.539 11.227 15.870 1.00 0.00 H new ATOM 0 HA SER A 75 6.358 11.618 16.410 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.459 12.237 17.965 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.119 10.533 18.194 1.00 0.00 H new ATOM 0 HG SER A 75 6.484 10.389 18.810 1.00 0.00 H new ATOM 833 N VAL A 76 5.934 8.806 15.472 1.00 0.00 N ATOM 834 CA VAL A 76 6.405 7.385 15.390 1.00 0.00 C ATOM 835 C VAL A 76 7.377 7.254 14.198 1.00 0.00 C ATOM 836 O VAL A 76 6.947 7.223 13.062 1.00 0.00 O ATOM 837 CB VAL A 76 5.183 6.477 15.162 1.00 0.00 C ATOM 838 CG1 VAL A 76 5.501 5.037 15.591 1.00 0.00 C ATOM 839 CG2 VAL A 76 4.005 7.005 15.985 1.00 0.00 C ATOM 0 H VAL A 76 5.543 9.176 14.606 1.00 0.00 H new ATOM 0 HA VAL A 76 6.913 7.095 16.310 1.00 0.00 H new ATOM 0 HB VAL A 76 4.929 6.480 14.102 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.628 4.406 15.424 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.339 4.659 15.005 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.762 5.022 16.649 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.136 6.366 15.828 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.270 7.003 17.042 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.769 8.022 15.672 1.00 0.00 H new ATOM 849 N PRO A 77 8.674 7.198 14.431 1.00 0.00 N ATOM 850 CA PRO A 77 9.668 7.096 13.322 1.00 0.00 C ATOM 851 C PRO A 77 9.768 5.677 12.735 1.00 0.00 C ATOM 852 O PRO A 77 9.348 4.715 13.346 1.00 0.00 O ATOM 853 CB PRO A 77 10.992 7.520 13.977 1.00 0.00 C ATOM 854 CG PRO A 77 10.839 7.215 15.440 1.00 0.00 C ATOM 855 CD PRO A 77 9.332 7.227 15.753 1.00 0.00 C ATOM 0 HA PRO A 77 9.387 7.719 12.473 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.833 6.974 13.549 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.186 8.581 13.817 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.273 6.244 15.678 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.363 7.955 16.044 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.046 6.366 16.357 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.051 8.118 16.315 1.00 0.00 H new ATOM 863 N PRO A 78 10.326 5.555 11.550 1.00 0.00 N ATOM 864 CA PRO A 78 10.489 4.237 10.864 1.00 0.00 C ATOM 865 C PRO A 78 11.628 3.411 11.465 1.00 0.00 C ATOM 866 O PRO A 78 12.394 3.888 12.279 1.00 0.00 O ATOM 867 CB PRO A 78 10.807 4.626 9.415 1.00 0.00 C ATOM 868 CG PRO A 78 11.485 5.955 9.519 1.00 0.00 C ATOM 869 CD PRO A 78 10.864 6.662 10.730 1.00 0.00 C ATOM 0 HA PRO A 78 9.602 3.611 10.962 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.453 3.888 8.939 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.900 4.690 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.560 5.834 9.649 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.338 6.539 8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.607 7.241 11.279 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.078 7.355 10.429 1.00 0.00 H new ATOM 877 N ILE A 79 11.739 2.173 11.062 1.00 0.00 N ATOM 878 CA ILE A 79 12.824 1.287 11.591 1.00 0.00 C ATOM 879 C ILE A 79 13.880 1.073 10.508 1.00 0.00 C ATOM 880 O ILE A 79 13.666 1.374 9.352 1.00 0.00 O ATOM 881 CB ILE A 79 12.224 -0.067 11.977 1.00 0.00 C ATOM 882 CG1 ILE A 79 11.252 -0.519 10.881 1.00 0.00 C ATOM 883 CG2 ILE A 79 11.475 0.060 13.304 1.00 0.00 C ATOM 884 CD1 ILE A 79 10.960 -2.010 11.044 1.00 0.00 C ATOM 0 H ILE A 79 11.120 1.731 10.383 1.00 0.00 H new ATOM 0 HA ILE A 79 13.282 1.753 12.463 1.00 0.00 H new ATOM 0 HB ILE A 79 13.022 -0.801 12.085 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.326 0.053 10.942 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.681 -0.327 9.898 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.049 -0.906 13.575 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.166 0.384 14.082 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.675 0.793 13.202 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.269 -2.333 10.265 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.889 -2.574 10.961 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.513 -2.188 12.022 1.00 0.00 H new ATOM 896 N ASP A 80 15.016 0.538 10.869 1.00 0.00 N ATOM 897 CA ASP A 80 16.082 0.286 9.856 1.00 0.00 C ATOM 898 C ASP A 80 15.910 -1.129 9.312 1.00 0.00 C ATOM 899 O ASP A 80 15.639 -2.060 10.045 1.00 0.00 O ATOM 900 CB ASP A 80 17.460 0.432 10.509 1.00 0.00 C ATOM 901 CG ASP A 80 18.545 -0.108 9.571 1.00 0.00 C ATOM 902 OD1 ASP A 80 18.281 -0.205 8.384 1.00 0.00 O ATOM 903 OD2 ASP A 80 19.621 -0.415 10.058 1.00 0.00 O ATOM 0 H ASP A 80 15.252 0.264 11.823 1.00 0.00 H new ATOM 0 HA ASP A 80 16.003 1.007 9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.654 1.480 10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.483 -0.110 11.455 1.00 0.00 H new ATOM 908 N VAL A 81 16.056 -1.293 8.028 1.00 0.00 N ATOM 909 CA VAL A 81 15.894 -2.645 7.409 1.00 0.00 C ATOM 910 C VAL A 81 16.981 -2.848 6.350 1.00 0.00 C ATOM 911 O VAL A 81 17.297 -1.957 5.587 1.00 0.00 O ATOM 912 CB VAL A 81 14.490 -2.733 6.785 1.00 0.00 C ATOM 913 CG1 VAL A 81 14.412 -3.878 5.770 1.00 0.00 C ATOM 914 CG2 VAL A 81 13.463 -2.981 7.896 1.00 0.00 C ATOM 0 H VAL A 81 16.282 -0.545 7.373 1.00 0.00 H new ATOM 0 HA VAL A 81 15.997 -3.429 8.159 1.00 0.00 H new ATOM 0 HB VAL A 81 14.279 -1.796 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.410 -3.919 5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.138 -3.709 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.633 -4.822 6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.465 -3.045 7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.697 -3.916 8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.495 -2.159 8.612 1.00 0.00 H new ATOM 924 N LEU A 82 17.562 -4.017 6.311 1.00 0.00 N ATOM 925 CA LEU A 82 18.639 -4.292 5.317 1.00 0.00 C ATOM 926 C LEU A 82 18.023 -4.772 4.002 1.00 0.00 C ATOM 927 O LEU A 82 17.238 -5.699 3.969 1.00 0.00 O ATOM 928 CB LEU A 82 19.571 -5.376 5.867 1.00 0.00 C ATOM 929 CG LEU A 82 20.156 -4.928 7.223 1.00 0.00 C ATOM 930 CD1 LEU A 82 20.603 -6.154 8.021 1.00 0.00 C ATOM 931 CD2 LEU A 82 21.362 -4.008 7.002 1.00 0.00 C ATOM 0 H LEU A 82 17.336 -4.797 6.928 1.00 0.00 H new ATOM 0 HA LEU A 82 19.203 -3.377 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 82 19.024 -6.311 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 82 20.377 -5.568 5.159 1.00 0.00 H new ATOM 0 HG LEU A 82 19.386 -4.387 7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.016 -5.835 8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 82 19.748 -6.807 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.365 -6.695 7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 82 21.765 -3.699 7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 82 22.129 -4.542 6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.050 -3.128 6.440 1.00 0.00 H new ATOM 943 N TRP A 83 18.382 -4.139 2.918 1.00 0.00 N ATOM 944 CA TRP A 83 17.843 -4.525 1.579 1.00 0.00 C ATOM 945 C TRP A 83 18.950 -5.245 0.803 1.00 0.00 C ATOM 946 O TRP A 83 19.944 -4.648 0.439 1.00 0.00 O ATOM 947 CB TRP A 83 17.434 -3.236 0.863 1.00 0.00 C ATOM 948 CG TRP A 83 17.116 -3.473 -0.582 1.00 0.00 C ATOM 949 CD1 TRP A 83 16.757 -4.654 -1.145 1.00 0.00 C ATOM 950 CD2 TRP A 83 17.114 -2.492 -1.658 1.00 0.00 C ATOM 951 NE1 TRP A 83 16.534 -4.452 -2.499 1.00 0.00 N ATOM 952 CE2 TRP A 83 16.743 -3.136 -2.860 1.00 0.00 C ATOM 953 CE3 TRP A 83 17.397 -1.115 -1.700 1.00 0.00 C ATOM 954 CZ2 TRP A 83 16.655 -2.437 -4.065 1.00 0.00 C ATOM 955 CZ3 TRP A 83 17.311 -0.410 -2.909 1.00 0.00 C ATOM 956 CH2 TRP A 83 16.940 -1.069 -4.089 1.00 0.00 C ATOM 0 H TRP A 83 19.037 -3.357 2.902 1.00 0.00 H new ATOM 0 HA TRP A 83 16.983 -5.190 1.662 1.00 0.00 H new ATOM 0 HB2 TRP A 83 16.564 -2.806 1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 83 18.240 -2.506 0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 83 16.661 -5.596 -0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.250 -5.186 -3.148 1.00 0.00 H new ATOM 0 HE3 TRP A 83 17.682 -0.598 -0.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.369 -2.949 -4.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.532 0.647 -2.931 1.00 0.00 H new ATOM 0 HH2 TRP A 83 16.874 -0.520 -5.017 1.00 0.00 H new ATOM 967 N ILE A 84 18.799 -6.531 0.569 1.00 0.00 N ATOM 968 CA ILE A 84 19.858 -7.306 -0.162 1.00 0.00 C ATOM 969 C ILE A 84 19.241 -8.044 -1.355 1.00 0.00 C ATOM 970 O ILE A 84 18.108 -8.481 -1.318 1.00 0.00 O ATOM 971 CB ILE A 84 20.501 -8.308 0.805 1.00 0.00 C ATOM 972 CG1 ILE A 84 20.945 -7.566 2.069 1.00 0.00 C ATOM 973 CG2 ILE A 84 21.726 -8.947 0.145 1.00 0.00 C ATOM 974 CD1 ILE A 84 21.713 -8.521 2.983 1.00 0.00 C ATOM 0 H ILE A 84 17.986 -7.078 0.853 1.00 0.00 H new ATOM 0 HA ILE A 84 20.619 -6.622 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 84 19.779 -9.084 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 84 21.575 -6.717 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.076 -7.166 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 84 22.181 -9.658 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 84 21.421 -9.466 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 84 22.450 -8.172 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 84 22.028 -7.990 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 84 21.069 -9.355 3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 84 22.591 -8.899 2.459 1.00 0.00 H new ATOM 986 N LYS A 85 19.986 -8.152 -2.427 1.00 0.00 N ATOM 987 CA LYS A 85 19.482 -8.821 -3.665 1.00 0.00 C ATOM 988 C LYS A 85 20.097 -10.225 -3.801 1.00 0.00 C ATOM 989 O LYS A 85 21.155 -10.508 -3.275 1.00 0.00 O ATOM 990 CB LYS A 85 19.900 -7.938 -4.868 1.00 0.00 C ATOM 991 CG LYS A 85 18.702 -7.586 -5.748 1.00 0.00 C ATOM 992 CD LYS A 85 19.143 -6.520 -6.757 1.00 0.00 C ATOM 993 CE LYS A 85 17.967 -6.093 -7.661 1.00 0.00 C ATOM 994 NZ LYS A 85 16.670 -6.457 -7.035 1.00 0.00 N ATOM 0 H LYS A 85 20.940 -7.798 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 85 18.399 -8.934 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.367 -7.023 -4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.648 -8.462 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.339 -8.473 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.879 -7.214 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.532 -5.651 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.955 -6.909 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.005 -5.017 -7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.055 -6.575 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.893 -6.003 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.549 -7.490 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.659 -6.133 -6.047 1.00 0.00 H new ATOM 1008 N GLY A 86 19.434 -11.100 -4.518 1.00 0.00 N ATOM 1009 CA GLY A 86 19.958 -12.482 -4.716 1.00 0.00 C ATOM 1010 C GLY A 86 20.735 -12.557 -6.033 1.00 0.00 C ATOM 1011 O GLY A 86 20.952 -11.567 -6.702 1.00 0.00 O ATOM 0 H GLY A 86 18.543 -10.911 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.606 -12.758 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.134 -13.195 -4.728 1.00 0.00 H new ATOM 1015 N ALA A 87 21.162 -13.732 -6.393 1.00 0.00 N ATOM 1016 CA ALA A 87 21.942 -13.913 -7.651 1.00 0.00 C ATOM 1017 C ALA A 87 21.064 -13.644 -8.884 1.00 0.00 C ATOM 1018 O ALA A 87 21.548 -13.648 -9.999 1.00 0.00 O ATOM 1019 CB ALA A 87 22.466 -15.354 -7.701 1.00 0.00 C ATOM 0 H ALA A 87 21.003 -14.589 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 87 22.771 -13.205 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 87 23.039 -15.501 -8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 87 23.106 -15.538 -6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 87 21.625 -16.048 -7.684 1.00 0.00 H new ATOM 1025 N GLN A 88 19.780 -13.430 -8.703 1.00 0.00 N ATOM 1026 CA GLN A 88 18.873 -13.182 -9.875 1.00 0.00 C ATOM 1027 C GLN A 88 18.013 -11.931 -9.643 1.00 0.00 C ATOM 1028 O GLN A 88 16.863 -11.877 -10.034 1.00 0.00 O ATOM 1029 CB GLN A 88 17.967 -14.400 -10.066 1.00 0.00 C ATOM 1030 CG GLN A 88 18.820 -15.670 -10.013 1.00 0.00 C ATOM 1031 CD GLN A 88 18.017 -16.856 -10.552 1.00 0.00 C ATOM 1032 OE1 GLN A 88 16.938 -16.683 -11.082 1.00 0.00 O ATOM 1033 NE2 GLN A 88 18.503 -18.063 -10.438 1.00 0.00 N ATOM 0 H GLN A 88 19.319 -13.416 -7.793 1.00 0.00 H new ATOM 0 HA GLN A 88 19.479 -13.020 -10.766 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.204 -14.427 -9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 88 17.447 -14.336 -11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.727 -15.535 -10.602 1.00 0.00 H new ATOM 0 HG3 GLN A 88 19.133 -15.867 -8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.409 -18.208 -9.993 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.976 -18.861 -10.794 1.00 0.00 H new ATOM 1042 N GLY A 89 18.569 -10.914 -9.042 1.00 0.00 N ATOM 1043 CA GLY A 89 17.801 -9.654 -8.821 1.00 0.00 C ATOM 1044 C GLY A 89 16.714 -9.835 -7.749 1.00 0.00 C ATOM 1045 O GLY A 89 16.147 -8.874 -7.269 1.00 0.00 O ATOM 0 H GLY A 89 19.527 -10.901 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.483 -8.860 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.341 -9.339 -9.757 1.00 0.00 H new ATOM 1049 N GLY A 90 16.410 -11.047 -7.372 1.00 0.00 N ATOM 1050 CA GLY A 90 15.359 -11.268 -6.345 1.00 0.00 C ATOM 1051 C GLY A 90 15.642 -10.393 -5.126 1.00 0.00 C ATOM 1052 O GLY A 90 16.595 -10.598 -4.401 1.00 0.00 O ATOM 0 H GLY A 90 16.847 -11.895 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.378 -11.030 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.336 -12.318 -6.054 1.00 0.00 H new ATOM 1056 N ASP A 91 14.819 -9.414 -4.905 1.00 0.00 N ATOM 1057 CA ASP A 91 15.020 -8.510 -3.744 1.00 0.00 C ATOM 1058 C ASP A 91 14.502 -9.175 -2.469 1.00 0.00 C ATOM 1059 O ASP A 91 13.406 -9.697 -2.429 1.00 0.00 O ATOM 1060 CB ASP A 91 14.244 -7.213 -3.968 1.00 0.00 C ATOM 1061 CG ASP A 91 14.922 -6.385 -5.054 1.00 0.00 C ATOM 1062 OD1 ASP A 91 15.897 -5.720 -4.744 1.00 0.00 O ATOM 1063 OD2 ASP A 91 14.454 -6.429 -6.179 1.00 0.00 O ATOM 0 H ASP A 91 14.007 -9.198 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 91 16.084 -8.299 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.218 -7.438 -4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.196 -6.643 -3.040 1.00 0.00 H new ATOM 1068 N TYR A 92 15.283 -9.134 -1.423 1.00 0.00 N ATOM 1069 CA TYR A 92 14.861 -9.731 -0.118 1.00 0.00 C ATOM 1070 C TYR A 92 14.996 -8.652 0.957 1.00 0.00 C ATOM 1071 O TYR A 92 15.827 -7.772 0.851 1.00 0.00 O ATOM 1072 CB TYR A 92 15.762 -10.923 0.209 1.00 0.00 C ATOM 1073 CG TYR A 92 15.600 -11.974 -0.868 1.00 0.00 C ATOM 1074 CD1 TYR A 92 16.404 -11.935 -2.014 1.00 0.00 C ATOM 1075 CD2 TYR A 92 14.641 -12.985 -0.723 1.00 0.00 C ATOM 1076 CE1 TYR A 92 16.250 -12.904 -3.009 1.00 0.00 C ATOM 1077 CE2 TYR A 92 14.488 -13.955 -1.721 1.00 0.00 C ATOM 1078 CZ TYR A 92 15.293 -13.914 -2.864 1.00 0.00 C ATOM 1079 OH TYR A 92 15.143 -14.870 -3.848 1.00 0.00 O ATOM 0 H TYR A 92 16.209 -8.706 -1.415 1.00 0.00 H new ATOM 0 HA TYR A 92 13.830 -10.081 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 92 16.802 -10.603 0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 92 15.499 -11.338 1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 92 17.143 -11.156 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.019 -13.016 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.871 -12.873 -3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.749 -14.734 -1.608 1.00 0.00 H new ATOM 0 HH TYR A 92 15.768 -14.686 -4.580 1.00 0.00 H new ATOM 1089 N PHE A 93 14.169 -8.690 1.977 1.00 0.00 N ATOM 1090 CA PHE A 93 14.227 -7.640 3.047 1.00 0.00 C ATOM 1091 C PHE A 93 14.455 -8.288 4.413 1.00 0.00 C ATOM 1092 O PHE A 93 13.667 -9.085 4.881 1.00 0.00 O ATOM 1093 CB PHE A 93 12.906 -6.872 3.048 1.00 0.00 C ATOM 1094 CG PHE A 93 12.685 -6.270 1.679 1.00 0.00 C ATOM 1095 CD1 PHE A 93 13.302 -5.060 1.339 1.00 0.00 C ATOM 1096 CD2 PHE A 93 11.872 -6.925 0.747 1.00 0.00 C ATOM 1097 CE1 PHE A 93 13.103 -4.506 0.068 1.00 0.00 C ATOM 1098 CE2 PHE A 93 11.675 -6.371 -0.524 1.00 0.00 C ATOM 1099 CZ PHE A 93 12.291 -5.161 -0.864 1.00 0.00 C ATOM 0 H PHE A 93 13.455 -9.405 2.115 1.00 0.00 H new ATOM 0 HA PHE A 93 15.054 -6.959 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.083 -7.539 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.927 -6.088 3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.931 -4.554 2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.396 -7.859 1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.577 -3.571 -0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.047 -6.878 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 93 12.140 -4.734 -1.844 1.00 0.00 H new ATOM 1109 N TYR A 94 15.545 -7.942 5.047 1.00 0.00 N ATOM 1110 CA TYR A 94 15.885 -8.508 6.384 1.00 0.00 C ATOM 1111 C TYR A 94 15.705 -7.427 7.452 1.00 0.00 C ATOM 1112 O TYR A 94 16.184 -6.320 7.312 1.00 0.00 O ATOM 1113 CB TYR A 94 17.357 -8.966 6.353 1.00 0.00 C ATOM 1114 CG TYR A 94 17.431 -10.450 6.098 1.00 0.00 C ATOM 1115 CD1 TYR A 94 17.300 -11.344 7.162 1.00 0.00 C ATOM 1116 CD2 TYR A 94 17.622 -10.925 4.798 1.00 0.00 C ATOM 1117 CE1 TYR A 94 17.361 -12.721 6.924 1.00 0.00 C ATOM 1118 CE2 TYR A 94 17.684 -12.301 4.560 1.00 0.00 C ATOM 1119 CZ TYR A 94 17.553 -13.200 5.623 1.00 0.00 C ATOM 1120 OH TYR A 94 17.613 -14.559 5.389 1.00 0.00 O ATOM 0 H TYR A 94 16.228 -7.276 4.685 1.00 0.00 H new ATOM 0 HA TYR A 94 15.234 -9.351 6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 94 17.897 -8.428 5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.841 -8.727 7.300 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.152 -10.974 8.166 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.722 -10.230 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.260 -13.415 7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 94 17.833 -12.670 3.556 1.00 0.00 H new ATOM 0 HH TYR A 94 17.749 -14.720 4.432 1.00 0.00 H new ATOM 1130 N SER A 95 15.030 -7.753 8.525 1.00 0.00 N ATOM 1131 CA SER A 95 14.819 -6.765 9.626 1.00 0.00 C ATOM 1132 C SER A 95 15.301 -7.371 10.946 1.00 0.00 C ATOM 1133 O SER A 95 14.998 -8.503 11.270 1.00 0.00 O ATOM 1134 CB SER A 95 13.326 -6.429 9.726 1.00 0.00 C ATOM 1135 OG SER A 95 13.168 -5.159 10.342 1.00 0.00 O ATOM 0 H SER A 95 14.612 -8.670 8.687 1.00 0.00 H new ATOM 0 HA SER A 95 15.381 -5.854 9.419 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.876 -6.422 8.733 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.808 -7.193 10.305 1.00 0.00 H new ATOM 0 HG SER A 95 12.356 -4.729 10.001 1.00 0.00 H new ATOM 1141 N PHE A 96 16.030 -6.612 11.719 1.00 0.00 N ATOM 1142 CA PHE A 96 16.522 -7.104 13.035 1.00 0.00 C ATOM 1143 C PHE A 96 16.259 -6.004 14.062 1.00 0.00 C ATOM 1144 O PHE A 96 17.094 -5.156 14.307 1.00 0.00 O ATOM 1145 CB PHE A 96 18.027 -7.339 12.962 1.00 0.00 C ATOM 1146 CG PHE A 96 18.329 -8.543 12.099 1.00 0.00 C ATOM 1147 CD1 PHE A 96 18.028 -9.829 12.558 1.00 0.00 C ATOM 1148 CD2 PHE A 96 18.934 -8.374 10.851 1.00 0.00 C ATOM 1149 CE1 PHE A 96 18.337 -10.944 11.769 1.00 0.00 C ATOM 1150 CE2 PHE A 96 19.238 -9.484 10.061 1.00 0.00 C ATOM 1151 CZ PHE A 96 18.943 -10.770 10.521 1.00 0.00 C ATOM 0 H PHE A 96 16.309 -5.658 11.489 1.00 0.00 H new ATOM 0 HA PHE A 96 16.020 -8.033 13.304 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.520 -6.457 12.553 1.00 0.00 H new ATOM 0 HB3 PHE A 96 18.427 -7.492 13.964 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.557 -9.962 13.521 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.167 -7.381 10.496 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.107 -11.938 12.124 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.701 -9.349 9.095 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.183 -11.629 9.913 1.00 0.00 H new ATOM 1161 N GLY A 97 15.104 -6.008 14.660 1.00 0.00 N ATOM 1162 CA GLY A 97 14.766 -4.963 15.673 1.00 0.00 C ATOM 1163 C GLY A 97 13.291 -4.575 15.516 1.00 0.00 C ATOM 1164 O GLY A 97 12.516 -5.287 14.909 1.00 0.00 O ATOM 0 H GLY A 97 14.370 -6.696 14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.951 -5.340 16.679 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.402 -4.088 15.538 1.00 0.00 H new ATOM 1168 N GLY A 98 12.902 -3.444 16.043 1.00 0.00 N ATOM 1169 CA GLY A 98 11.481 -3.002 15.908 1.00 0.00 C ATOM 1170 C GLY A 98 10.528 -4.171 16.198 1.00 0.00 C ATOM 1171 O GLY A 98 9.408 -4.194 15.728 1.00 0.00 O ATOM 0 H GLY A 98 13.506 -2.806 16.561 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.281 -2.182 16.598 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.305 -2.622 14.902 1.00 0.00 H new ATOM 1175 N CYS A 99 10.957 -5.144 16.960 1.00 0.00 N ATOM 1176 CA CYS A 99 10.069 -6.301 17.261 1.00 0.00 C ATOM 1177 C CYS A 99 8.724 -5.796 17.793 1.00 0.00 C ATOM 1178 O CYS A 99 7.675 -6.181 17.317 1.00 0.00 O ATOM 1179 CB CYS A 99 10.740 -7.189 18.312 1.00 0.00 C ATOM 1180 SG CYS A 99 12.502 -7.348 17.931 1.00 0.00 S ATOM 0 H CYS A 99 11.883 -5.185 17.385 1.00 0.00 H new ATOM 0 HA CYS A 99 9.898 -6.877 16.351 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.609 -6.758 19.305 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.270 -8.172 18.327 1.00 0.00 H new ATOM 0 HG CYS A 99 13.141 -6.316 18.396 1.00 0.00 H new ATOM 1186 N HIS A 100 8.747 -4.943 18.778 1.00 0.00 N ATOM 1187 CA HIS A 100 7.469 -4.421 19.340 1.00 0.00 C ATOM 1188 C HIS A 100 6.774 -3.533 18.305 1.00 0.00 C ATOM 1189 O HIS A 100 5.599 -3.687 18.035 1.00 0.00 O ATOM 1190 CB HIS A 100 7.763 -3.608 20.606 1.00 0.00 C ATOM 1191 CG HIS A 100 8.059 -4.541 21.751 1.00 0.00 C ATOM 1192 ND1 HIS A 100 9.233 -5.275 21.825 1.00 0.00 N ATOM 1193 CD2 HIS A 100 7.339 -4.872 22.872 1.00 0.00 C ATOM 1194 CE1 HIS A 100 9.185 -6.003 22.956 1.00 0.00 C ATOM 1195 NE2 HIS A 100 8.052 -5.795 23.632 1.00 0.00 N ATOM 0 H HIS A 100 9.594 -4.584 19.219 1.00 0.00 H new ATOM 0 HA HIS A 100 6.815 -5.256 19.590 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.612 -2.945 20.435 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.909 -2.976 20.851 1.00 0.00 H new ATOM 0 HD1 HIS A 100 9.994 -5.265 21.146 1.00 0.00 H new ATOM 0 HD2 HIS A 100 6.367 -4.476 23.126 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.968 -6.674 23.278 1.00 0.00 H new ATOM 1203 N ARG A 101 7.482 -2.605 17.722 1.00 0.00 N ATOM 1204 CA ARG A 101 6.844 -1.719 16.708 1.00 0.00 C ATOM 1205 C ARG A 101 6.178 -2.583 15.631 1.00 0.00 C ATOM 1206 O ARG A 101 5.186 -2.200 15.043 1.00 0.00 O ATOM 1207 CB ARG A 101 7.902 -0.796 16.085 1.00 0.00 C ATOM 1208 CG ARG A 101 7.232 0.209 15.125 1.00 0.00 C ATOM 1209 CD ARG A 101 8.085 1.487 15.022 1.00 0.00 C ATOM 1210 NE ARG A 101 9.517 1.156 15.267 1.00 0.00 N ATOM 1211 CZ ARG A 101 10.358 2.099 15.596 1.00 0.00 C ATOM 1212 NH1 ARG A 101 9.945 3.332 15.704 1.00 0.00 N ATOM 1213 NH2 ARG A 101 11.610 1.809 15.819 1.00 0.00 N ATOM 0 H ARG A 101 8.469 -2.422 17.903 1.00 0.00 H new ATOM 0 HA ARG A 101 6.084 -1.099 17.184 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.436 -0.260 16.870 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.640 -1.389 15.545 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.115 -0.240 14.139 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.233 0.457 15.484 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.969 1.935 14.035 1.00 0.00 H new ATOM 0 HD3 ARG A 101 7.743 2.224 15.749 1.00 0.00 H new ATOM 0 HE ARG A 101 9.840 0.193 15.178 1.00 0.00 H new ATOM 0 HH11 ARG A 101 8.966 3.559 15.531 1.00 0.00 H new ATOM 0 HH12 ARG A 101 10.602 4.069 15.961 1.00 0.00 H new ATOM 0 HH21 ARG A 101 11.933 0.845 15.736 1.00 0.00 H new ATOM 0 HH22 ARG A 101 12.266 2.546 16.076 1.00 0.00 H new ATOM 1227 N TYR A 102 6.705 -3.752 15.377 1.00 0.00 N ATOM 1228 CA TYR A 102 6.091 -4.644 14.351 1.00 0.00 C ATOM 1229 C TYR A 102 4.757 -5.178 14.894 1.00 0.00 C ATOM 1230 O TYR A 102 3.767 -5.230 14.192 1.00 0.00 O ATOM 1231 CB TYR A 102 7.054 -5.804 14.053 1.00 0.00 C ATOM 1232 CG TYR A 102 6.350 -6.895 13.279 1.00 0.00 C ATOM 1233 CD1 TYR A 102 5.614 -7.859 13.972 1.00 0.00 C ATOM 1234 CD2 TYR A 102 6.437 -6.952 11.880 1.00 0.00 C ATOM 1235 CE1 TYR A 102 4.963 -8.881 13.276 1.00 0.00 C ATOM 1236 CE2 TYR A 102 5.784 -7.977 11.182 1.00 0.00 C ATOM 1237 CZ TYR A 102 5.048 -8.942 11.881 1.00 0.00 C ATOM 1238 OH TYR A 102 4.405 -9.951 11.194 1.00 0.00 O ATOM 0 H TYR A 102 7.535 -4.127 15.836 1.00 0.00 H new ATOM 0 HA TYR A 102 5.906 -4.094 13.428 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.907 -5.438 13.482 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.445 -6.208 14.987 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.548 -7.814 15.049 1.00 0.00 H new ATOM 0 HD2 TYR A 102 7.006 -6.208 11.342 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.394 -9.624 13.815 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.848 -8.023 10.105 1.00 0.00 H new ATOM 0 HH TYR A 102 3.680 -10.312 11.746 1.00 0.00 H new ATOM 1248 N ALA A 103 4.726 -5.570 16.141 1.00 0.00 N ATOM 1249 CA ALA A 103 3.461 -6.095 16.738 1.00 0.00 C ATOM 1250 C ALA A 103 2.367 -5.029 16.659 1.00 0.00 C ATOM 1251 O ALA A 103 1.256 -5.299 16.248 1.00 0.00 O ATOM 1252 CB ALA A 103 3.703 -6.460 18.205 1.00 0.00 C ATOM 0 H ALA A 103 5.525 -5.549 16.774 1.00 0.00 H new ATOM 0 HA ALA A 103 3.145 -6.979 16.185 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.781 -6.843 18.642 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.478 -7.224 18.267 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.023 -5.573 18.753 1.00 0.00 H new ATOM 1258 N ALA A 104 2.662 -3.822 17.058 1.00 0.00 N ATOM 1259 CA ALA A 104 1.626 -2.754 17.009 1.00 0.00 C ATOM 1260 C ALA A 104 1.071 -2.652 15.587 1.00 0.00 C ATOM 1261 O ALA A 104 -0.123 -2.559 15.381 1.00 0.00 O ATOM 1262 CB ALA A 104 2.246 -1.416 17.420 1.00 0.00 C ATOM 0 H ALA A 104 3.572 -3.531 17.414 1.00 0.00 H new ATOM 0 HA ALA A 104 0.817 -2.999 17.697 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.485 -0.636 17.383 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.638 -1.493 18.434 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.056 -1.165 16.736 1.00 0.00 H new ATOM 1268 N TYR A 105 1.928 -2.675 14.605 1.00 0.00 N ATOM 1269 CA TYR A 105 1.455 -2.587 13.199 1.00 0.00 C ATOM 1270 C TYR A 105 0.715 -3.885 12.838 1.00 0.00 C ATOM 1271 O TYR A 105 -0.306 -3.867 12.180 1.00 0.00 O ATOM 1272 CB TYR A 105 2.680 -2.401 12.279 1.00 0.00 C ATOM 1273 CG TYR A 105 2.891 -0.938 11.947 1.00 0.00 C ATOM 1274 CD1 TYR A 105 2.157 -0.346 10.913 1.00 0.00 C ATOM 1275 CD2 TYR A 105 3.824 -0.181 12.665 1.00 0.00 C ATOM 1276 CE1 TYR A 105 2.356 1.001 10.594 1.00 0.00 C ATOM 1277 CE2 TYR A 105 4.024 1.169 12.344 1.00 0.00 C ATOM 1278 CZ TYR A 105 3.290 1.759 11.309 1.00 0.00 C ATOM 1279 OH TYR A 105 3.487 3.088 10.994 1.00 0.00 O ATOM 0 H TYR A 105 2.939 -2.751 14.718 1.00 0.00 H new ATOM 0 HA TYR A 105 0.776 -1.744 13.075 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.570 -2.799 12.767 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.539 -2.970 11.360 1.00 0.00 H new ATOM 0 HD1 TYR A 105 1.436 -0.930 10.361 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.389 -0.636 13.465 1.00 0.00 H new ATOM 0 HE1 TYR A 105 1.789 1.456 9.796 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.745 1.754 12.896 1.00 0.00 H new ATOM 0 HH TYR A 105 4.169 3.467 11.587 1.00 0.00 H new ATOM 1289 N GLN A 106 1.232 -5.010 13.255 1.00 0.00 N ATOM 1290 CA GLN A 106 0.578 -6.302 12.932 1.00 0.00 C ATOM 1291 C GLN A 106 -0.799 -6.374 13.598 1.00 0.00 C ATOM 1292 O GLN A 106 -1.729 -6.943 13.062 1.00 0.00 O ATOM 1293 CB GLN A 106 1.452 -7.447 13.450 1.00 0.00 C ATOM 1294 CG GLN A 106 0.964 -8.769 12.852 1.00 0.00 C ATOM 1295 CD GLN A 106 1.482 -9.950 13.691 1.00 0.00 C ATOM 1296 OE1 GLN A 106 2.358 -10.669 13.255 1.00 0.00 O ATOM 1297 NE2 GLN A 106 0.981 -10.189 14.881 1.00 0.00 N ATOM 0 H GLN A 106 2.085 -5.085 13.809 1.00 0.00 H new ATOM 0 HA GLN A 106 0.455 -6.385 11.852 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.494 -7.275 13.179 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.408 -7.489 14.538 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.125 -8.784 12.822 1.00 0.00 H new ATOM 0 HG3 GLN A 106 1.312 -8.863 11.823 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.245 -9.590 15.254 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.328 -10.974 15.432 1.00 0.00 H new ATOM 1306 N GLN A 107 -0.935 -5.809 14.767 1.00 0.00 N ATOM 1307 CA GLN A 107 -2.249 -5.854 15.469 1.00 0.00 C ATOM 1308 C GLN A 107 -3.238 -4.910 14.781 1.00 0.00 C ATOM 1309 O GLN A 107 -4.395 -5.233 14.600 1.00 0.00 O ATOM 1310 CB GLN A 107 -2.060 -5.421 16.924 1.00 0.00 C ATOM 1311 CG GLN A 107 -3.408 -5.465 17.647 1.00 0.00 C ATOM 1312 CD GLN A 107 -3.180 -5.403 19.160 1.00 0.00 C ATOM 1313 OE1 GLN A 107 -2.134 -4.983 19.612 1.00 0.00 O ATOM 1314 NE2 GLN A 107 -4.124 -5.807 19.965 1.00 0.00 N ATOM 0 H GLN A 107 -0.193 -5.318 15.266 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.641 -6.870 15.436 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.347 -6.079 17.421 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.646 -4.413 16.964 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -4.031 -4.629 17.328 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.943 -6.379 17.386 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.002 -6.160 19.585 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.984 -5.770 20.975 1.00 0.00 H new ATOM 1323 N LEU A 108 -2.793 -3.744 14.403 1.00 0.00 N ATOM 1324 CA LEU A 108 -3.708 -2.776 13.733 1.00 0.00 C ATOM 1325 C LEU A 108 -4.126 -3.317 12.362 1.00 0.00 C ATOM 1326 O LEU A 108 -4.740 -2.626 11.574 1.00 0.00 O ATOM 1327 CB LEU A 108 -2.985 -1.438 13.564 1.00 0.00 C ATOM 1328 CG LEU A 108 -2.775 -0.792 14.946 1.00 0.00 C ATOM 1329 CD1 LEU A 108 -1.806 0.392 14.818 1.00 0.00 C ATOM 1330 CD2 LEU A 108 -4.122 -0.307 15.525 1.00 0.00 C ATOM 0 H LEU A 108 -1.835 -3.419 14.529 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.600 -2.636 14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.024 -1.591 13.072 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.568 -0.775 12.925 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.353 -1.535 15.623 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.658 0.849 15.797 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.849 0.039 14.434 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.222 1.130 14.132 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.956 0.147 16.502 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.563 0.429 14.853 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.799 -1.155 15.629 1.00 0.00 H new ATOM 1342 N GLN A 109 -3.806 -4.549 12.075 1.00 0.00 N ATOM 1343 CA GLN A 109 -4.193 -5.137 10.760 1.00 0.00 C ATOM 1344 C GLN A 109 -3.856 -4.157 9.631 1.00 0.00 C ATOM 1345 O GLN A 109 -4.629 -3.960 8.715 1.00 0.00 O ATOM 1346 CB GLN A 109 -5.699 -5.428 10.758 1.00 0.00 C ATOM 1347 CG GLN A 109 -6.032 -6.425 9.643 1.00 0.00 C ATOM 1348 CD GLN A 109 -5.572 -7.825 10.055 1.00 0.00 C ATOM 1349 OE1 GLN A 109 -5.106 -8.023 11.160 1.00 0.00 O ATOM 1350 NE2 GLN A 109 -5.684 -8.811 9.208 1.00 0.00 N ATOM 0 H GLN A 109 -3.292 -5.175 12.695 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.641 -6.064 10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.002 -5.833 11.723 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -6.257 -4.504 10.611 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.105 -6.425 9.450 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.541 -6.128 8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.075 -8.645 8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.381 -9.748 9.473 1.00 0.00 H new ATOM 1359 N ARG A 110 -2.704 -3.546 9.686 1.00 0.00 N ATOM 1360 CA ARG A 110 -2.314 -2.589 8.616 1.00 0.00 C ATOM 1361 C ARG A 110 -1.745 -3.370 7.435 1.00 0.00 C ATOM 1362 O ARG A 110 -1.333 -4.505 7.569 1.00 0.00 O ATOM 1363 CB ARG A 110 -1.254 -1.627 9.158 1.00 0.00 C ATOM 1364 CG ARG A 110 -1.865 -0.717 10.242 1.00 0.00 C ATOM 1365 CD ARG A 110 -2.577 0.479 9.596 1.00 0.00 C ATOM 1366 NE ARG A 110 -2.999 1.436 10.658 1.00 0.00 N ATOM 1367 CZ ARG A 110 -4.091 1.216 11.340 1.00 0.00 C ATOM 1368 NH1 ARG A 110 -4.814 0.159 11.091 1.00 0.00 N ATOM 1369 NH2 ARG A 110 -4.459 2.054 12.270 1.00 0.00 N ATOM 0 H ARG A 110 -2.016 -3.670 10.428 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.184 -2.018 8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.420 -2.191 9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.854 -1.020 8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.571 -1.285 10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.082 -0.363 10.913 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.912 0.974 8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.445 0.138 9.032 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.435 2.263 10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.527 -0.496 10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.667 -0.013 11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.894 2.881 12.464 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.312 1.882 12.803 1.00 0.00 H new ATOM 1383 N GLU A 111 -1.738 -2.779 6.277 1.00 0.00 N ATOM 1384 CA GLU A 111 -1.215 -3.489 5.074 1.00 0.00 C ATOM 1385 C GLU A 111 0.317 -3.392 5.005 1.00 0.00 C ATOM 1386 O GLU A 111 0.982 -4.345 4.645 1.00 0.00 O ATOM 1387 CB GLU A 111 -1.824 -2.867 3.814 1.00 0.00 C ATOM 1388 CG GLU A 111 -3.283 -3.310 3.681 1.00 0.00 C ATOM 1389 CD GLU A 111 -4.082 -2.804 4.883 1.00 0.00 C ATOM 1390 OE1 GLU A 111 -3.925 -1.644 5.227 1.00 0.00 O ATOM 1391 OE2 GLU A 111 -4.837 -3.584 5.439 1.00 0.00 O ATOM 0 H GLU A 111 -2.073 -1.831 6.108 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.492 -4.541 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.766 -1.780 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.258 -3.173 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.710 -2.920 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.340 -4.397 3.624 1.00 0.00 H new ATOM 1398 N THR A 112 0.887 -2.248 5.319 1.00 0.00 N ATOM 1399 CA THR A 112 2.380 -2.098 5.236 1.00 0.00 C ATOM 1400 C THR A 112 2.926 -1.417 6.489 1.00 0.00 C ATOM 1401 O THR A 112 2.188 -1.029 7.373 1.00 0.00 O ATOM 1402 CB THR A 112 2.719 -1.225 4.027 1.00 0.00 C ATOM 1403 OG1 THR A 112 1.975 -0.017 4.105 1.00 0.00 O ATOM 1404 CG2 THR A 112 2.366 -1.955 2.719 1.00 0.00 C ATOM 0 H THR A 112 0.385 -1.415 5.628 1.00 0.00 H new ATOM 0 HA THR A 112 2.827 -3.088 5.144 1.00 0.00 H new ATOM 0 HB THR A 112 3.788 -1.011 4.032 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.793 0.314 3.201 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.614 -1.319 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.934 -2.883 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.300 -2.181 2.705 1.00 0.00 H new ATOM 1412 N ILE A 113 4.230 -1.264 6.561 1.00 0.00 N ATOM 1413 CA ILE A 113 4.856 -0.596 7.753 1.00 0.00 C ATOM 1414 C ILE A 113 5.994 0.338 7.297 1.00 0.00 C ATOM 1415 O ILE A 113 6.749 -0.020 6.414 1.00 0.00 O ATOM 1416 CB ILE A 113 5.448 -1.658 8.688 1.00 0.00 C ATOM 1417 CG1 ILE A 113 5.873 -0.982 9.991 1.00 0.00 C ATOM 1418 CG2 ILE A 113 6.674 -2.315 8.038 1.00 0.00 C ATOM 1419 CD1 ILE A 113 6.287 -2.042 11.015 1.00 0.00 C ATOM 0 H ILE A 113 4.889 -1.573 5.846 1.00 0.00 H new ATOM 0 HA ILE A 113 4.089 -0.021 8.272 1.00 0.00 H new ATOM 0 HB ILE A 113 4.699 -2.425 8.884 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.703 -0.301 9.804 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.052 -0.384 10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.084 -3.067 8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.379 -2.789 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.430 -1.556 7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.589 -1.554 11.942 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.445 -2.706 11.212 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.122 -2.622 10.621 1.00 0.00 H new ATOM 1431 N PRO A 114 6.169 1.509 7.894 1.00 0.00 N ATOM 1432 CA PRO A 114 7.290 2.412 7.498 1.00 0.00 C ATOM 1433 C PRO A 114 8.647 1.789 7.853 1.00 0.00 C ATOM 1434 O PRO A 114 8.864 1.340 8.961 1.00 0.00 O ATOM 1435 CB PRO A 114 7.056 3.709 8.307 1.00 0.00 C ATOM 1436 CG PRO A 114 5.654 3.610 8.829 1.00 0.00 C ATOM 1437 CD PRO A 114 5.356 2.118 8.975 1.00 0.00 C ATOM 0 HA PRO A 114 7.309 2.593 6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.773 3.797 9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.179 4.591 7.678 1.00 0.00 H new ATOM 0 HG2 PRO A 114 5.559 4.121 9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 114 4.950 4.082 8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 114 5.644 1.743 9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.294 1.904 8.851 1.00 0.00 H new ATOM 1445 N ALA A 115 9.558 1.758 6.924 1.00 0.00 N ATOM 1446 CA ALA A 115 10.898 1.164 7.207 1.00 0.00 C ATOM 1447 C ALA A 115 11.948 1.814 6.307 1.00 0.00 C ATOM 1448 O ALA A 115 11.757 1.962 5.116 1.00 0.00 O ATOM 1449 CB ALA A 115 10.862 -0.340 6.935 1.00 0.00 C ATOM 0 H ALA A 115 9.435 2.118 5.978 1.00 0.00 H new ATOM 0 HA ALA A 115 11.154 1.339 8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.842 -0.771 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 115 10.116 -0.808 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.603 -0.515 5.891 1.00 0.00 H new ATOM 1455 N LYS A 116 13.058 2.201 6.869 1.00 0.00 N ATOM 1456 CA LYS A 116 14.129 2.840 6.053 1.00 0.00 C ATOM 1457 C LYS A 116 14.901 1.746 5.304 1.00 0.00 C ATOM 1458 O LYS A 116 15.605 0.956 5.902 1.00 0.00 O ATOM 1459 CB LYS A 116 15.080 3.623 6.991 1.00 0.00 C ATOM 1460 CG LYS A 116 15.504 4.943 6.338 1.00 0.00 C ATOM 1461 CD LYS A 116 16.288 4.653 5.056 1.00 0.00 C ATOM 1462 CE LYS A 116 17.014 5.922 4.603 1.00 0.00 C ATOM 1463 NZ LYS A 116 18.200 6.154 5.475 1.00 0.00 N ATOM 0 H LYS A 116 13.271 2.102 7.862 1.00 0.00 H new ATOM 0 HA LYS A 116 13.696 3.531 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.583 3.822 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 116 15.960 3.020 7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.625 5.546 6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 116 16.118 5.521 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 116 17.007 3.853 5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.612 4.309 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.327 5.823 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.340 6.777 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.862 6.798 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.893 6.578 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 18.675 5.248 5.664 1.00 0.00 H new ATOM 1477 N LEU A 117 14.783 1.690 4.005 1.00 0.00 N ATOM 1478 CA LEU A 117 15.524 0.639 3.249 1.00 0.00 C ATOM 1479 C LEU A 117 17.014 0.979 3.247 1.00 0.00 C ATOM 1480 O LEU A 117 17.401 2.120 3.090 1.00 0.00 O ATOM 1481 CB LEU A 117 15.023 0.559 1.802 1.00 0.00 C ATOM 1482 CG LEU A 117 13.510 0.284 1.762 1.00 0.00 C ATOM 1483 CD1 LEU A 117 13.071 0.114 0.302 1.00 0.00 C ATOM 1484 CD2 LEU A 117 13.176 -0.997 2.540 1.00 0.00 C ATOM 0 H LEU A 117 14.213 2.319 3.439 1.00 0.00 H new ATOM 0 HA LEU A 117 15.357 -0.324 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.241 1.493 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.555 -0.231 1.271 1.00 0.00 H new ATOM 0 HG LEU A 117 12.985 1.122 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.999 -0.081 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.293 1.025 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.608 -0.723 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.102 -1.176 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.701 -1.841 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.488 -0.884 3.578 1.00 0.00 H new ATOM 1496 N VAL A 118 17.851 -0.011 3.429 1.00 0.00 N ATOM 1497 CA VAL A 118 19.326 0.224 3.450 1.00 0.00 C ATOM 1498 C VAL A 118 20.014 -0.832 2.581 1.00 0.00 C ATOM 1499 O VAL A 118 20.193 -1.963 2.986 1.00 0.00 O ATOM 1500 CB VAL A 118 19.818 0.109 4.898 1.00 0.00 C ATOM 1501 CG1 VAL A 118 21.346 0.100 4.934 1.00 0.00 C ATOM 1502 CG2 VAL A 118 19.301 1.300 5.706 1.00 0.00 C ATOM 0 H VAL A 118 17.572 -0.982 3.565 1.00 0.00 H new ATOM 0 HA VAL A 118 19.559 1.215 3.060 1.00 0.00 H new ATOM 0 HB VAL A 118 19.444 -0.820 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.685 0.018 5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 118 21.718 -0.749 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.726 1.025 4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.650 1.220 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.673 2.226 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.211 1.304 5.691 1.00 0.00 H new ATOM 1512 N GLN A 119 20.403 -0.471 1.387 1.00 0.00 N ATOM 1513 CA GLN A 119 21.081 -1.457 0.496 1.00 0.00 C ATOM 1514 C GLN A 119 22.298 -2.035 1.224 1.00 0.00 C ATOM 1515 O GLN A 119 23.140 -1.309 1.715 1.00 0.00 O ATOM 1516 CB GLN A 119 21.526 -0.761 -0.798 1.00 0.00 C ATOM 1517 CG GLN A 119 22.086 -1.797 -1.787 1.00 0.00 C ATOM 1518 CD GLN A 119 23.549 -2.093 -1.457 1.00 0.00 C ATOM 1519 OE1 GLN A 119 23.846 -3.170 -0.793 1.00 0.00 O flip ATOM 1520 NE2 GLN A 119 24.430 -1.333 -1.808 1.00 0.00 N flip ATOM 0 H GLN A 119 20.281 0.461 0.991 1.00 0.00 H new ATOM 0 HA GLN A 119 20.392 -2.263 0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 119 20.683 -0.236 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 119 22.285 -0.012 -0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.500 -2.715 -1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.003 -1.421 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 119 24.197 -0.488 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 119 25.403 -1.540 -1.581 1.00 0.00 H new ATOM 1529 N SER A 120 22.388 -3.341 1.309 1.00 0.00 N ATOM 1530 CA SER A 120 23.540 -3.987 2.018 1.00 0.00 C ATOM 1531 C SER A 120 24.087 -5.138 1.169 1.00 0.00 C ATOM 1532 O SER A 120 23.604 -5.410 0.088 1.00 0.00 O ATOM 1533 CB SER A 120 23.053 -4.534 3.364 1.00 0.00 C ATOM 1534 OG SER A 120 22.976 -3.475 4.306 1.00 0.00 O ATOM 0 H SER A 120 21.709 -3.992 0.915 1.00 0.00 H new ATOM 0 HA SER A 120 24.330 -3.253 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 120 22.076 -5.002 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.734 -5.305 3.723 1.00 0.00 H new ATOM 0 HG SER A 120 23.003 -2.616 3.835 1.00 0.00 H new ATOM 1540 N THR A 121 25.096 -5.814 1.662 1.00 0.00 N ATOM 1541 CA THR A 121 25.704 -6.957 0.911 1.00 0.00 C ATOM 1542 C THR A 121 25.565 -8.241 1.734 1.00 0.00 C ATOM 1543 O THR A 121 25.356 -8.210 2.935 1.00 0.00 O ATOM 1544 CB THR A 121 27.188 -6.668 0.673 1.00 0.00 C ATOM 1545 OG1 THR A 121 27.770 -6.174 1.871 1.00 0.00 O ATOM 1546 CG2 THR A 121 27.336 -5.625 -0.436 1.00 0.00 C ATOM 0 H THR A 121 25.530 -5.620 2.565 1.00 0.00 H new ATOM 0 HA THR A 121 25.193 -7.080 -0.044 1.00 0.00 H new ATOM 0 HB THR A 121 27.694 -7.586 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 121 28.721 -5.990 1.721 1.00 0.00 H new ATOM 0 HG21 THR A 121 28.393 -5.420 -0.604 1.00 0.00 H new ATOM 0 HG22 THR A 121 26.889 -6.005 -1.355 1.00 0.00 H new ATOM 0 HG23 THR A 121 26.831 -4.705 -0.140 1.00 0.00 H new ATOM 1554 N LEU A 122 25.671 -9.374 1.096 1.00 0.00 N ATOM 1555 CA LEU A 122 25.535 -10.658 1.843 1.00 0.00 C ATOM 1556 C LEU A 122 26.541 -10.698 3.004 1.00 0.00 C ATOM 1557 O LEU A 122 26.325 -11.368 3.994 1.00 0.00 O ATOM 1558 CB LEU A 122 25.785 -11.844 0.897 1.00 0.00 C ATOM 1559 CG LEU A 122 25.452 -13.171 1.604 1.00 0.00 C ATOM 1560 CD1 LEU A 122 23.933 -13.306 1.820 1.00 0.00 C ATOM 1561 CD2 LEU A 122 25.942 -14.337 0.741 1.00 0.00 C ATOM 0 H LEU A 122 25.845 -9.467 0.095 1.00 0.00 H new ATOM 0 HA LEU A 122 24.524 -10.729 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 122 25.174 -11.738 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 122 26.826 -11.847 0.574 1.00 0.00 H new ATOM 0 HG LEU A 122 25.947 -13.185 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.719 -14.250 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.578 -12.480 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.425 -13.284 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 122 25.709 -15.279 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 122 25.446 -14.305 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 122 27.020 -14.258 0.601 1.00 0.00 H new ATOM 1573 N SER A 123 27.637 -9.989 2.898 1.00 0.00 N ATOM 1574 CA SER A 123 28.639 -9.999 4.002 1.00 0.00 C ATOM 1575 C SER A 123 28.001 -9.455 5.282 1.00 0.00 C ATOM 1576 O SER A 123 28.095 -10.054 6.336 1.00 0.00 O ATOM 1577 CB SER A 123 29.832 -9.124 3.614 1.00 0.00 C ATOM 1578 OG SER A 123 30.747 -9.064 4.698 1.00 0.00 O ATOM 0 H SER A 123 27.879 -9.406 2.097 1.00 0.00 H new ATOM 0 HA SER A 123 28.977 -11.021 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 123 30.324 -9.532 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 123 29.492 -8.121 3.355 1.00 0.00 H new ATOM 0 HG SER A 123 31.583 -9.508 4.445 1.00 0.00 H new ATOM 1584 N ASP A 124 27.350 -8.325 5.204 1.00 0.00 N ATOM 1585 CA ASP A 124 26.710 -7.754 6.422 1.00 0.00 C ATOM 1586 C ASP A 124 25.770 -8.799 7.028 1.00 0.00 C ATOM 1587 O ASP A 124 25.704 -8.978 8.233 1.00 0.00 O ATOM 1588 CB ASP A 124 25.914 -6.500 6.046 1.00 0.00 C ATOM 1589 CG ASP A 124 25.459 -5.785 7.320 1.00 0.00 C ATOM 1590 OD1 ASP A 124 26.313 -5.440 8.120 1.00 0.00 O ATOM 1591 OD2 ASP A 124 24.264 -5.595 7.475 1.00 0.00 O ATOM 0 H ASP A 124 27.235 -7.775 4.353 1.00 0.00 H new ATOM 0 HA ASP A 124 27.477 -7.484 7.148 1.00 0.00 H new ATOM 0 HB2 ASP A 124 26.529 -5.833 5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 124 25.050 -6.773 5.440 1.00 0.00 H new ATOM 1596 N LEU A 125 25.041 -9.502 6.205 1.00 0.00 N ATOM 1597 CA LEU A 125 24.117 -10.529 6.751 1.00 0.00 C ATOM 1598 C LEU A 125 24.931 -11.560 7.543 1.00 0.00 C ATOM 1599 O LEU A 125 24.523 -12.011 8.592 1.00 0.00 O ATOM 1600 CB LEU A 125 23.355 -11.204 5.597 1.00 0.00 C ATOM 1601 CG LEU A 125 21.979 -11.696 6.083 1.00 0.00 C ATOM 1602 CD1 LEU A 125 21.041 -10.505 6.385 1.00 0.00 C ATOM 1603 CD2 LEU A 125 21.357 -12.580 5.001 1.00 0.00 C ATOM 0 H LEU A 125 25.046 -9.410 5.189 1.00 0.00 H new ATOM 0 HA LEU A 125 23.389 -10.065 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 125 23.228 -10.500 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 125 23.934 -12.043 5.211 1.00 0.00 H new ATOM 0 HG LEU A 125 22.112 -12.265 7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 125 20.076 -10.879 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 125 21.484 -9.881 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 125 20.901 -9.913 5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 125 20.382 -12.933 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 125 21.238 -12.003 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 125 22.007 -13.434 4.811 1.00 0.00 H new ATOM 1615 N ARG A 126 26.088 -11.923 7.055 1.00 0.00 N ATOM 1616 CA ARG A 126 26.936 -12.911 7.790 1.00 0.00 C ATOM 1617 C ARG A 126 27.198 -12.396 9.205 1.00 0.00 C ATOM 1618 O ARG A 126 27.230 -13.155 10.153 1.00 0.00 O ATOM 1619 CB ARG A 126 28.271 -13.076 7.054 1.00 0.00 C ATOM 1620 CG ARG A 126 29.022 -14.294 7.603 1.00 0.00 C ATOM 1621 CD ARG A 126 30.500 -14.219 7.209 1.00 0.00 C ATOM 1622 NE ARG A 126 30.626 -14.269 5.720 1.00 0.00 N ATOM 1623 CZ ARG A 126 30.697 -13.169 5.011 1.00 0.00 C ATOM 1624 NH1 ARG A 126 30.647 -11.999 5.590 1.00 0.00 N ATOM 1625 NH2 ARG A 126 30.814 -13.243 3.713 1.00 0.00 N ATOM 0 H ARG A 126 26.483 -11.579 6.180 1.00 0.00 H new ATOM 0 HA ARG A 126 26.423 -13.872 7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 126 28.094 -13.198 5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 126 28.877 -12.178 7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 126 28.928 -14.331 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 126 28.579 -15.211 7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 126 30.942 -13.299 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 126 31.049 -15.047 7.658 1.00 0.00 H new ATOM 0 HE ARG A 126 30.657 -15.173 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 126 30.552 -11.935 6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 126 30.703 -11.149 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 126 30.850 -14.154 3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 126 30.870 -12.390 3.157 1.00 0.00 H new ATOM 1639 N VAL A 127 27.374 -11.113 9.361 1.00 0.00 N ATOM 1640 CA VAL A 127 27.620 -10.568 10.722 1.00 0.00 C ATOM 1641 C VAL A 127 26.435 -10.939 11.615 1.00 0.00 C ATOM 1642 O VAL A 127 26.584 -11.164 12.800 1.00 0.00 O ATOM 1643 CB VAL A 127 27.758 -9.045 10.660 1.00 0.00 C ATOM 1644 CG1 VAL A 127 27.975 -8.500 12.072 1.00 0.00 C ATOM 1645 CG2 VAL A 127 28.961 -8.676 9.791 1.00 0.00 C ATOM 0 H VAL A 127 27.358 -10.424 8.609 1.00 0.00 H new ATOM 0 HA VAL A 127 28.542 -10.987 11.126 1.00 0.00 H new ATOM 0 HB VAL A 127 26.852 -8.616 10.232 1.00 0.00 H new ATOM 0 HG11 VAL A 127 28.074 -7.415 12.032 1.00 0.00 H new ATOM 0 HG12 VAL A 127 27.123 -8.764 12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 127 28.883 -8.932 12.493 1.00 0.00 H new ATOM 0 HG21 VAL A 127 29.059 -7.591 9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 127 29.866 -9.105 10.221 1.00 0.00 H new ATOM 0 HG23 VAL A 127 28.817 -9.068 8.784 1.00 0.00 H new ATOM 1655 N TYR A 128 25.251 -11.001 11.054 1.00 0.00 N ATOM 1656 CA TYR A 128 24.048 -11.355 11.877 1.00 0.00 C ATOM 1657 C TYR A 128 23.812 -12.870 11.874 1.00 0.00 C ATOM 1658 O TYR A 128 23.586 -13.473 12.904 1.00 0.00 O ATOM 1659 CB TYR A 128 22.804 -10.685 11.291 1.00 0.00 C ATOM 1660 CG TYR A 128 22.896 -9.187 11.430 1.00 0.00 C ATOM 1661 CD1 TYR A 128 22.502 -8.567 12.622 1.00 0.00 C ATOM 1662 CD2 TYR A 128 23.358 -8.417 10.360 1.00 0.00 C ATOM 1663 CE1 TYR A 128 22.576 -7.175 12.742 1.00 0.00 C ATOM 1664 CE2 TYR A 128 23.430 -7.025 10.478 1.00 0.00 C ATOM 1665 CZ TYR A 128 23.039 -6.403 11.670 1.00 0.00 C ATOM 1666 OH TYR A 128 23.110 -5.030 11.787 1.00 0.00 O ATOM 0 H TYR A 128 25.065 -10.823 10.067 1.00 0.00 H new ATOM 0 HA TYR A 128 24.228 -11.012 12.896 1.00 0.00 H new ATOM 0 HB2 TYR A 128 22.701 -10.953 10.239 1.00 0.00 H new ATOM 0 HB3 TYR A 128 21.913 -11.049 11.802 1.00 0.00 H new ATOM 0 HD1 TYR A 128 22.141 -9.162 13.448 1.00 0.00 H new ATOM 0 HD2 TYR A 128 23.660 -8.897 9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 128 22.276 -6.696 13.662 1.00 0.00 H new ATOM 0 HE2 TYR A 128 23.787 -6.430 9.650 1.00 0.00 H new ATOM 0 HH TYR A 128 23.453 -4.648 10.952 1.00 0.00 H new ATOM 1676 N LEU A 129 23.827 -13.479 10.714 1.00 0.00 N ATOM 1677 CA LEU A 129 23.566 -14.945 10.605 1.00 0.00 C ATOM 1678 C LEU A 129 24.794 -15.659 10.049 1.00 0.00 C ATOM 1679 O LEU A 129 24.684 -16.487 9.171 1.00 0.00 O ATOM 1680 CB LEU A 129 22.421 -15.158 9.621 1.00 0.00 C ATOM 1681 CG LEU A 129 21.138 -14.463 10.101 1.00 0.00 C ATOM 1682 CD1 LEU A 129 19.999 -14.811 9.132 1.00 0.00 C ATOM 1683 CD2 LEU A 129 20.771 -14.921 11.522 1.00 0.00 C ATOM 0 H LEU A 129 24.012 -13.014 9.825 1.00 0.00 H new ATOM 0 HA LEU A 129 23.325 -15.339 11.592 1.00 0.00 H new ATOM 0 HB2 LEU A 129 22.703 -14.771 8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 129 22.236 -16.225 9.500 1.00 0.00 H new ATOM 0 HG LEU A 129 21.298 -13.385 10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 129 19.081 -14.324 9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 129 20.255 -14.465 8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 129 19.852 -15.891 9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 129 19.859 -14.417 11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 129 20.610 -15.999 11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 129 21.583 -14.672 12.205 1.00 0.00 H new ATOM 1695 N GLY A 130 25.953 -15.347 10.536 1.00 0.00 N ATOM 1696 CA GLY A 130 27.181 -16.013 10.020 1.00 0.00 C ATOM 1697 C GLY A 130 27.152 -17.516 10.345 1.00 0.00 C ATOM 1698 O GLY A 130 28.165 -18.101 10.674 1.00 0.00 O ATOM 0 H GLY A 130 26.109 -14.658 11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 130 27.255 -15.869 8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 130 28.065 -15.555 10.464 1.00 0.00 H new ATOM 1702 N ALA A 131 26.009 -18.153 10.250 1.00 0.00 N ATOM 1703 CA ALA A 131 25.940 -19.614 10.547 1.00 0.00 C ATOM 1704 C ALA A 131 24.772 -20.240 9.773 1.00 0.00 C ATOM 1705 O ALA A 131 24.957 -21.149 8.989 1.00 0.00 O ATOM 1706 CB ALA A 131 25.745 -19.823 12.054 1.00 0.00 C ATOM 0 H ALA A 131 25.124 -17.723 9.980 1.00 0.00 H new ATOM 0 HA ALA A 131 26.869 -20.094 10.239 1.00 0.00 H new ATOM 0 HB1 ALA A 131 25.695 -20.890 12.270 1.00 0.00 H new ATOM 0 HB2 ALA A 131 26.583 -19.383 12.594 1.00 0.00 H new ATOM 0 HB3 ALA A 131 24.818 -19.345 12.371 1.00 0.00 H new ATOM 1712 N SER A 132 23.571 -19.760 9.982 1.00 0.00 N ATOM 1713 CA SER A 132 22.391 -20.326 9.254 1.00 0.00 C ATOM 1714 C SER A 132 22.054 -19.426 8.064 1.00 0.00 C ATOM 1715 O SER A 132 20.902 -19.213 7.740 1.00 0.00 O ATOM 1716 CB SER A 132 21.191 -20.382 10.202 1.00 0.00 C ATOM 1717 OG SER A 132 21.517 -21.179 11.332 1.00 0.00 O ATOM 0 H SER A 132 23.356 -18.999 10.626 1.00 0.00 H new ATOM 0 HA SER A 132 22.625 -21.330 8.900 1.00 0.00 H new ATOM 0 HB2 SER A 132 20.918 -19.376 10.520 1.00 0.00 H new ATOM 0 HB3 SER A 132 20.326 -20.799 9.687 1.00 0.00 H new ATOM 0 HG SER A 132 20.749 -21.214 11.940 1.00 0.00 H new ATOM 1723 N THR A 133 23.050 -18.885 7.419 1.00 0.00 N ATOM 1724 CA THR A 133 22.791 -17.986 6.259 1.00 0.00 C ATOM 1725 C THR A 133 22.359 -18.826 5.030 1.00 0.00 C ATOM 1726 O THR A 133 23.127 -19.635 4.549 1.00 0.00 O ATOM 1727 CB THR A 133 24.096 -17.219 5.924 1.00 0.00 C ATOM 1728 OG1 THR A 133 24.992 -17.325 7.018 1.00 0.00 O ATOM 1729 CG2 THR A 133 23.801 -15.738 5.653 1.00 0.00 C ATOM 0 H THR A 133 24.034 -19.027 7.646 1.00 0.00 H new ATOM 0 HA THR A 133 21.995 -17.284 6.508 1.00 0.00 H new ATOM 0 HB THR A 133 24.540 -17.656 5.029 1.00 0.00 H new ATOM 0 HG1 THR A 133 24.540 -17.040 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 133 24.731 -15.219 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 133 23.116 -15.652 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 133 23.347 -15.290 6.537 1.00 0.00 H new ATOM 1737 N PRO A 134 21.167 -18.631 4.499 1.00 0.00 N ATOM 1738 CA PRO A 134 20.708 -19.384 3.297 1.00 0.00 C ATOM 1739 C PRO A 134 21.298 -18.795 2.012 1.00 0.00 C ATOM 1740 O PRO A 134 22.118 -17.899 2.051 1.00 0.00 O ATOM 1741 CB PRO A 134 19.186 -19.218 3.332 1.00 0.00 C ATOM 1742 CG PRO A 134 18.966 -17.888 3.981 1.00 0.00 C ATOM 1743 CD PRO A 134 20.128 -17.693 4.968 1.00 0.00 C ATOM 0 HA PRO A 134 21.023 -20.428 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 134 18.761 -19.244 2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 134 18.713 -20.019 3.900 1.00 0.00 H new ATOM 0 HG2 PRO A 134 18.949 -17.091 3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 134 18.007 -17.862 4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 134 20.488 -16.664 4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 134 19.823 -17.916 5.990 1.00 0.00 H new ATOM 1751 N ASP A 135 20.885 -19.292 0.876 1.00 0.00 N ATOM 1752 CA ASP A 135 21.408 -18.778 -0.424 1.00 0.00 C ATOM 1753 C ASP A 135 20.317 -17.970 -1.114 1.00 0.00 C ATOM 1754 O ASP A 135 19.202 -18.421 -1.290 1.00 0.00 O ATOM 1755 CB ASP A 135 21.805 -19.957 -1.308 1.00 0.00 C ATOM 1756 CG ASP A 135 22.665 -19.461 -2.472 1.00 0.00 C ATOM 1757 OD1 ASP A 135 22.743 -18.257 -2.655 1.00 0.00 O ATOM 1758 OD2 ASP A 135 23.230 -20.294 -3.162 1.00 0.00 O ATOM 0 H ASP A 135 20.199 -20.042 0.793 1.00 0.00 H new ATOM 0 HA ASP A 135 22.278 -18.145 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 135 22.357 -20.693 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 135 20.913 -20.455 -1.688 1.00 0.00 H new ATOM 1763 N LEU A 136 20.637 -16.775 -1.498 1.00 0.00 N ATOM 1764 CA LEU A 136 19.636 -15.898 -2.177 1.00 0.00 C ATOM 1765 C LEU A 136 19.736 -16.059 -3.693 1.00 0.00 C ATOM 1766 O LEU A 136 20.812 -16.128 -4.253 1.00 0.00 O ATOM 1767 CB LEU A 136 19.909 -14.437 -1.818 1.00 0.00 C ATOM 1768 CG LEU A 136 19.718 -14.214 -0.313 1.00 0.00 C ATOM 1769 CD1 LEU A 136 20.105 -12.771 0.029 1.00 0.00 C ATOM 1770 CD2 LEU A 136 18.252 -14.466 0.079 1.00 0.00 C ATOM 0 H LEU A 136 21.559 -16.356 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 136 18.638 -16.185 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 136 20.925 -14.168 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 136 19.237 -13.786 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 136 20.351 -14.908 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 136 19.973 -12.602 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 136 21.148 -12.601 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 136 19.470 -12.082 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 136 18.129 -14.305 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 136 17.606 -13.779 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 136 17.981 -15.493 -0.167 1.00 0.00 H new ATOM 1782 N GLN A 137 18.609 -16.106 -4.357 1.00 0.00 N ATOM 1783 CA GLN A 137 18.592 -16.248 -5.845 1.00 0.00 C ATOM 1784 C GLN A 137 17.688 -15.162 -6.441 1.00 0.00 C ATOM 1785 O GLN A 137 18.191 -14.083 -6.705 1.00 0.00 O ATOM 1786 CB GLN A 137 18.051 -17.635 -6.216 1.00 0.00 C ATOM 1787 CG GLN A 137 18.636 -18.686 -5.271 1.00 0.00 C ATOM 1788 CD GLN A 137 20.166 -18.626 -5.322 1.00 0.00 C ATOM 1789 OE1 GLN A 137 20.849 -18.550 -4.210 1.00 0.00 O flip ATOM 1790 NE2 GLN A 137 20.748 -18.648 -6.388 1.00 0.00 N flip ATOM 1791 OXT GLN A 137 16.510 -15.424 -6.621 1.00 0.00 O ATOM 0 H GLN A 137 17.687 -16.051 -3.925 1.00 0.00 H new ATOM 0 HA GLN A 137 19.602 -16.139 -6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 137 16.963 -17.640 -6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 137 18.312 -17.874 -7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 137 18.288 -18.509 -4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 137 18.291 -19.680 -5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 137 20.218 -18.707 -7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 137 21.767 -18.607 -6.414 1.00 0.00 H new TER 1800 GLN A 137 HETATM 1801 MG MG A 2 17.599 -1.642 24.127 1.00 0.00 MG HETATM 1802 PG ATP A 1 11.785 -4.371 20.035 1.00 0.00 P HETATM 1803 O1G ATP A 1 11.397 -5.319 21.130 1.00 0.00 O HETATM 1804 O2G ATP A 1 10.654 -3.552 19.506 1.00 0.00 O HETATM 1805 O3G ATP A 1 12.716 -4.957 19.013 1.00 0.00 O HETATM 1806 PB ATP A 1 13.238 -1.635 21.591 1.00 0.00 P HETATM 1807 O1B ATP A 1 12.137 -1.190 22.493 1.00 0.00 O HETATM 1808 O2B ATP A 1 14.539 -1.807 22.311 1.00 0.00 O HETATM 1809 O3B ATP A 1 12.889 -3.184 20.938 1.00 0.00 O HETATM 1810 PA ATP A 1 12.906 0.326 19.071 1.00 0.00 P HETATM 1811 O1A ATP A 1 13.328 -0.423 17.876 1.00 0.00 O HETATM 1812 O2A ATP A 1 13.328 1.739 19.088 1.00 0.00 O HETATM 1813 O3A ATP A 1 13.566 -0.392 20.456 1.00 0.00 O HETATM 1814 O5' ATP A 1 11.218 0.315 19.021 1.00 0.00 O HETATM 1815 C5' ATP A 1 10.397 0.937 20.006 1.00 0.00 C HETATM 1816 C4' ATP A 1 10.566 2.473 20.076 1.00 0.00 C HETATM 1817 O4' ATP A 1 9.302 3.090 20.301 1.00 0.00 O HETATM 1818 C3' ATP A 1 11.489 2.994 21.210 1.00 0.00 C HETATM 1819 O3' ATP A 1 12.635 3.635 20.653 1.00 0.00 O HETATM 1820 C2' ATP A 1 10.641 4.011 21.981 1.00 0.00 C HETATM 1821 O2' ATP A 1 11.461 5.130 22.270 1.00 0.00 O HETATM 1822 C1' ATP A 1 9.519 4.317 20.981 1.00 0.00 C HETATM 1823 N9 ATP A 1 8.268 4.855 21.579 1.00 0.00 N HETATM 1824 C8 ATP A 1 7.650 6.053 21.285 1.00 0.00 C HETATM 1825 N7 ATP A 1 6.499 6.250 21.875 1.00 0.00 N HETATM 1826 C5 ATP A 1 6.353 5.137 22.691 1.00 0.00 C HETATM 1827 C6 ATP A 1 5.365 4.712 23.613 1.00 0.00 C HETATM 1828 N6 ATP A 1 4.230 5.383 23.828 1.00 0.00 N HETATM 1829 N1 ATP A 1 5.581 3.584 24.324 1.00 0.00 N HETATM 1830 C2 ATP A 1 6.708 2.887 24.126 1.00 0.00 C HETATM 1831 N3 ATP A 1 7.692 3.127 23.253 1.00 0.00 N HETATM 1832 C4 ATP A 1 7.477 4.277 22.551 1.00 0.00 C HETATM 0 HO3' ATP A 1 12.927 3.148 19.854 1.00 0.00 H new HETATM 0 HO2' ATP A 1 12.100 5.265 21.539 1.00 0.00 H new HETATM 0 HN62 ATP A 1 3.551 5.033 24.504 1.00 0.00 H new HETATM 0 HN61 ATP A 1 4.043 6.245 23.316 1.00 0.00 H new HETATM 0 H5'2 ATP A 1 9.353 0.704 19.796 1.00 0.00 H new HETATM 0 H5'1 ATP A 1 10.629 0.510 20.982 1.00 0.00 H new HETATM 0 H8 ATP A 1 8.090 6.785 20.608 1.00 0.00 H new HETATM 0 H4' ATP A 1 11.022 2.727 19.119 1.00 0.00 H new HETATM 0 H3' ATP A 1 11.846 2.188 21.851 1.00 0.00 H new HETATM 0 H2' ATP A 1 10.238 3.683 22.939 1.00 0.00 H new HETATM 0 H2 ATP A 1 6.840 2.010 24.759 1.00 0.00 H new HETATM 0 H1' ATP A 1 9.822 5.127 20.318 1.00 0.00 H new