USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 130:sc= -0.453 USER MOD Set 1.2: A 79 GLN : amide:sc= 0 X(o=-0.45,f=-0.45) USER MOD Set 2.1: A 67 SER OG : rot 63:sc= 0.52 USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -4.77! C(o=-8.8!,f=-4.3!) USER MOD Set 3.1: A 21 THR OG1 : rot -72:sc= 0.447 USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= 0.307 USER MOD Set 4.1: A 30 ASN : amide:sc= -0.623 X(o=-0.96,f=-0.55) USER MOD Set 4.2: A 32 SER OG : rot 68:sc= -0.338 USER MOD Set 5.1: A 7 THR OG1 : rot -52:sc= 1 USER MOD Set 5.2: A 93 ASN : amide:sc= -1.91 K(o=-0.9,f=-5.2!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.18 K(o=-1.2,f=-2!) USER MOD Single : A 9 TYR OH : rot -13:sc= 1.36 USER MOD Single : A 10 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.1!) USER MOD Single : A 11 SER OG : rot 179:sc= 0.299 USER MOD Single : A 14 GLN :FLIP amide:sc= -2.17! C(o=-4.4!,f=-2.2!) USER MOD Single : A 16 SER OG : rot 77:sc= 0.199 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 20 SER OG : rot -9:sc= 0.387 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.1 F(o=-2.1!,f=-1.1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 85:sc= 0.366 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0871 K(o=-0.087,f=-0.77) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.855 F(o=-1.7!,f=-0.86) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0008) USER MOD Single : A 61 THR OG1 : rot 155:sc= -0.0396 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -54:sc= 0.395 USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00353) USER MOD Single : A 90 HIS : no HE2:sc= -1.51 X(o=-1.5,f=-1.6) USER MOD Single : A 97 THR OG1 : rot -81:sc= 0.26 USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.164) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.638 -1.599 -11.332 1.00 0.00 N ATOM 23 CA GLY A 2 -3.847 -0.959 -10.053 1.00 0.00 C ATOM 24 C GLY A 2 -5.027 -0.008 -10.011 1.00 0.00 C ATOM 25 O GLY A 2 -6.183 -0.414 -10.110 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.990 -1.729 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.945 -0.410 -9.784 1.00 0.00 H new ATOM 29 N LYS A 3 -4.712 1.273 -9.896 1.00 0.00 N ATOM 30 CA LYS A 3 -5.733 2.317 -9.863 1.00 0.00 C ATOM 31 C LYS A 3 -6.962 1.898 -9.050 1.00 0.00 C ATOM 32 O LYS A 3 -8.092 2.192 -9.437 1.00 0.00 O ATOM 33 CB LYS A 3 -6.155 2.646 -11.298 1.00 0.00 C ATOM 34 CG LYS A 3 -4.952 3.196 -12.098 1.00 0.00 C ATOM 35 CD LYS A 3 -4.757 4.696 -11.823 1.00 0.00 C ATOM 36 CE LYS A 3 -3.697 5.253 -12.773 1.00 0.00 C ATOM 37 NZ LYS A 3 -3.462 6.691 -12.462 1.00 0.00 N ATOM 0 H LYS A 3 -3.755 1.619 -9.824 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.304 3.193 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.545 1.752 -11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.960 3.380 -11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.048 2.651 -11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.113 3.034 -13.164 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.699 5.227 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.451 4.850 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.769 4.691 -12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.024 5.142 -13.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.741 7.072 -13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.349 7.221 -12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.132 6.784 -11.480 1.00 0.00 H new ATOM 51 N PHE A 4 -6.748 1.226 -7.918 1.00 0.00 N ATOM 52 CA PHE A 4 -7.876 0.807 -7.085 1.00 0.00 C ATOM 53 C PHE A 4 -8.625 2.033 -6.563 1.00 0.00 C ATOM 54 O PHE A 4 -9.843 2.001 -6.395 1.00 0.00 O ATOM 55 CB PHE A 4 -7.407 -0.078 -5.910 1.00 0.00 C ATOM 56 CG PHE A 4 -6.739 0.753 -4.832 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.494 1.356 -5.089 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.353 0.915 -3.566 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.861 2.118 -4.092 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.717 1.682 -2.566 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.469 2.284 -2.829 1.00 0.00 C ATOM 0 H PHE A 4 -5.828 0.965 -7.563 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.551 0.212 -7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.260 -0.609 -5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.711 -0.833 -6.275 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.024 1.233 -6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.308 0.452 -3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.905 2.579 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.185 1.808 -1.601 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.980 2.871 -2.066 1.00 0.00 H new ATOM 71 N SER A 5 -7.884 3.109 -6.316 1.00 0.00 N ATOM 72 CA SER A 5 -8.475 4.346 -5.814 1.00 0.00 C ATOM 73 C SER A 5 -9.608 4.828 -6.712 1.00 0.00 C ATOM 74 O SER A 5 -10.512 5.527 -6.254 1.00 0.00 O ATOM 75 CB SER A 5 -7.408 5.432 -5.727 1.00 0.00 C ATOM 76 OG SER A 5 -7.111 5.908 -7.034 1.00 0.00 O ATOM 0 H SER A 5 -6.874 3.150 -6.455 1.00 0.00 H new ATOM 0 HA SER A 5 -8.883 4.141 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.758 6.252 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.507 5.035 -5.259 1.00 0.00 H new ATOM 0 HG SER A 5 -6.427 6.607 -6.980 1.00 0.00 H new ATOM 82 N GLN A 6 -9.562 4.458 -7.987 1.00 0.00 N ATOM 83 CA GLN A 6 -10.603 4.876 -8.916 1.00 0.00 C ATOM 84 C GLN A 6 -11.950 4.307 -8.489 1.00 0.00 C ATOM 85 O GLN A 6 -12.992 4.917 -8.725 1.00 0.00 O ATOM 86 CB GLN A 6 -10.265 4.410 -10.339 1.00 0.00 C ATOM 87 CG GLN A 6 -9.120 5.258 -10.904 1.00 0.00 C ATOM 88 CD GLN A 6 -8.855 4.858 -12.357 1.00 0.00 C ATOM 89 OE1 GLN A 6 -9.502 3.976 -12.886 1.00 0.00 O ATOM 90 NE2 GLN A 6 -7.924 5.477 -13.030 1.00 0.00 N ATOM 0 H GLN A 6 -8.828 3.879 -8.395 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.660 5.964 -8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.980 3.358 -10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.144 4.496 -10.978 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.376 6.316 -10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.219 5.116 -10.307 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.381 6.217 -12.586 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.740 5.220 -14.000 1.00 0.00 H new ATOM 99 N THR A 7 -11.921 3.132 -7.858 1.00 0.00 N ATOM 100 CA THR A 7 -13.145 2.473 -7.394 1.00 0.00 C ATOM 101 C THR A 7 -13.000 2.058 -5.931 1.00 0.00 C ATOM 102 O THR A 7 -13.635 1.108 -5.475 1.00 0.00 O ATOM 103 CB THR A 7 -13.448 1.226 -8.248 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.433 0.431 -7.605 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.172 0.410 -8.432 1.00 0.00 C ATOM 0 H THR A 7 -11.064 2.617 -7.656 1.00 0.00 H new ATOM 0 HA THR A 7 -13.968 3.181 -7.492 1.00 0.00 H new ATOM 0 HB THR A 7 -13.821 1.540 -9.223 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.160 0.257 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.388 -0.471 -9.036 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.420 1.019 -8.934 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.795 0.099 -7.458 1.00 0.00 H new ATOM 113 N CYS A 8 -12.172 2.800 -5.188 1.00 0.00 N ATOM 114 CA CYS A 8 -11.959 2.527 -3.762 1.00 0.00 C ATOM 115 C CYS A 8 -11.899 3.827 -2.974 1.00 0.00 C ATOM 116 O CYS A 8 -11.280 4.801 -3.401 1.00 0.00 O ATOM 117 CB CYS A 8 -10.676 1.720 -3.542 1.00 0.00 C ATOM 118 SG CYS A 8 -10.912 0.040 -4.174 1.00 0.00 S ATOM 0 H CYS A 8 -11.640 3.592 -5.549 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.802 1.935 -3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.840 2.199 -4.051 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.428 1.691 -2.481 1.00 0.00 H new ATOM 123 N TYR A 9 -12.565 3.832 -1.817 1.00 0.00 N ATOM 124 CA TYR A 9 -12.610 5.013 -0.954 1.00 0.00 C ATOM 125 C TYR A 9 -12.453 4.609 0.509 1.00 0.00 C ATOM 126 O TYR A 9 -12.497 3.425 0.842 1.00 0.00 O ATOM 127 CB TYR A 9 -13.940 5.746 -1.151 1.00 0.00 C ATOM 128 CG TYR A 9 -15.093 4.828 -0.801 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.572 3.898 -1.749 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.691 4.902 0.475 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.650 3.045 -1.420 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.765 4.048 0.805 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.246 3.121 -0.143 1.00 0.00 C ATOM 134 OH TYR A 9 -18.323 2.315 0.167 1.00 0.00 O ATOM 0 H TYR A 9 -13.081 3.030 -1.456 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.788 5.676 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -13.970 6.637 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.031 6.080 -2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.115 3.838 -2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.326 5.614 1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.018 2.335 -2.146 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.219 4.104 1.783 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.676 1.911 -0.653 1.00 0.00 H new ATOM 144 N ASN A 10 -12.248 5.604 1.371 1.00 0.00 N ATOM 145 CA ASN A 10 -12.062 5.358 2.799 1.00 0.00 C ATOM 146 C ASN A 10 -10.831 4.493 3.029 1.00 0.00 C ATOM 147 O ASN A 10 -10.798 3.668 3.943 1.00 0.00 O ATOM 148 CB ASN A 10 -13.296 4.676 3.402 1.00 0.00 C ATOM 149 CG ASN A 10 -13.134 4.568 4.919 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.201 5.106 5.483 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.011 3.891 5.609 1.00 0.00 N ATOM 0 H ASN A 10 -12.207 6.588 1.105 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.922 6.320 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.193 5.247 3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.424 3.684 2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.914 3.813 6.621 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.794 3.440 5.136 1.00 0.00 H new ATOM 158 N SER A 11 -9.814 4.692 2.195 1.00 0.00 N ATOM 159 CA SER A 11 -8.582 3.929 2.322 1.00 0.00 C ATOM 160 C SER A 11 -7.808 4.380 3.552 1.00 0.00 C ATOM 161 O SER A 11 -7.820 5.556 3.906 1.00 0.00 O ATOM 162 CB SER A 11 -7.718 4.097 1.069 1.00 0.00 C ATOM 163 OG SER A 11 -7.582 5.479 0.773 1.00 0.00 O ATOM 0 H SER A 11 -9.820 5.369 1.432 1.00 0.00 H new ATOM 0 HA SER A 11 -8.838 2.875 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.737 3.649 1.227 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.174 3.576 0.227 1.00 0.00 H new ATOM 0 HG SER A 11 -7.013 5.590 -0.017 1.00 0.00 H new ATOM 169 N ALA A 12 -7.142 3.433 4.208 1.00 0.00 N ATOM 170 CA ALA A 12 -6.365 3.736 5.409 1.00 0.00 C ATOM 171 C ALA A 12 -5.178 2.794 5.514 1.00 0.00 C ATOM 172 O ALA A 12 -5.226 1.664 5.026 1.00 0.00 O ATOM 173 CB ALA A 12 -7.244 3.595 6.642 1.00 0.00 C ATOM 0 H ALA A 12 -7.124 2.452 3.930 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.000 4.761 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.659 3.822 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.083 4.288 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.621 2.574 6.705 1.00 0.00 H new ATOM 179 N ILE A 13 -4.103 3.266 6.145 1.00 0.00 N ATOM 180 CA ILE A 13 -2.891 2.462 6.309 1.00 0.00 C ATOM 181 C ILE A 13 -2.373 2.578 7.734 1.00 0.00 C ATOM 182 O ILE A 13 -2.328 3.669 8.301 1.00 0.00 O ATOM 183 CB ILE A 13 -1.789 2.916 5.334 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.318 2.773 3.897 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.552 2.031 5.526 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.361 3.421 2.881 1.00 0.00 C ATOM 0 H ILE A 13 -4.046 4.200 6.551 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.148 1.425 6.093 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.517 3.954 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.445 1.717 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.301 3.238 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.232 2.348 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.194 2.123 6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.813 0.992 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.764 3.303 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.255 4.482 3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.386 2.938 2.940 1.00 0.00 H new ATOM 198 N GLN A 14 -1.979 1.443 8.310 1.00 0.00 N ATOM 199 CA GLN A 14 -1.464 1.421 9.678 1.00 0.00 C ATOM 200 C GLN A 14 -0.422 0.314 9.838 1.00 0.00 C ATOM 201 O GLN A 14 -0.749 -0.829 10.159 1.00 0.00 O ATOM 202 CB GLN A 14 -2.631 1.210 10.667 1.00 0.00 C ATOM 203 CG GLN A 14 -2.301 1.823 12.039 1.00 0.00 C ATOM 204 CD GLN A 14 -0.920 1.357 12.508 1.00 0.00 C ATOM 205 OE1 GLN A 14 0.145 1.959 12.054 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -0.809 0.438 13.295 1.00 0.00 N flip ATOM 0 H GLN A 14 -2.006 0.531 7.853 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.983 2.375 9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.538 1.665 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.831 0.144 10.778 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.323 2.911 11.974 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.058 1.532 12.767 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.641 -0.033 13.650 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.116 0.137 13.601 1.00 0.00 H new ATOM 215 N GLY A 15 0.836 0.674 9.602 1.00 0.00 N ATOM 216 CA GLY A 15 1.944 -0.269 9.710 1.00 0.00 C ATOM 217 C GLY A 15 2.327 -0.856 8.366 1.00 0.00 C ATOM 218 O GLY A 15 3.277 -0.407 7.733 1.00 0.00 O ATOM 0 H GLY A 15 1.114 1.618 9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.807 0.235 10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.669 -1.074 10.392 1.00 0.00 H new ATOM 222 N SER A 16 1.586 -1.871 7.931 1.00 0.00 N ATOM 223 CA SER A 16 1.864 -2.526 6.651 1.00 0.00 C ATOM 224 C SER A 16 0.599 -3.161 6.102 1.00 0.00 C ATOM 225 O SER A 16 0.645 -4.168 5.397 1.00 0.00 O ATOM 226 CB SER A 16 2.929 -3.596 6.849 1.00 0.00 C ATOM 227 OG SER A 16 2.342 -4.738 7.455 1.00 0.00 O ATOM 0 H SER A 16 0.792 -2.258 8.441 1.00 0.00 H new ATOM 0 HA SER A 16 2.222 -1.781 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.372 -3.866 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.734 -3.212 7.475 1.00 0.00 H new ATOM 0 HG SER A 16 1.835 -5.240 6.783 1.00 0.00 H new ATOM 233 N VAL A 17 -0.531 -2.553 6.446 1.00 0.00 N ATOM 234 CA VAL A 17 -1.837 -3.043 6.004 1.00 0.00 C ATOM 235 C VAL A 17 -2.655 -1.934 5.371 1.00 0.00 C ATOM 236 O VAL A 17 -2.904 -0.900 5.981 1.00 0.00 O ATOM 237 CB VAL A 17 -2.631 -3.651 7.180 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.031 -2.558 8.182 1.00 0.00 C ATOM 239 CG2 VAL A 17 -3.889 -4.342 6.636 1.00 0.00 C ATOM 0 H VAL A 17 -0.572 -1.718 7.031 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.651 -3.817 5.260 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.003 -4.378 7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.590 -3.005 9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.134 -2.076 8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.653 -1.816 7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.454 -4.773 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.509 -3.612 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.599 -5.132 5.943 1.00 0.00 H new ATOM 249 N LEU A 18 -3.108 -2.186 4.149 1.00 0.00 N ATOM 250 CA LEU A 18 -3.952 -1.243 3.429 1.00 0.00 C ATOM 251 C LEU A 18 -5.374 -1.729 3.606 1.00 0.00 C ATOM 252 O LEU A 18 -5.646 -2.903 3.390 1.00 0.00 O ATOM 253 CB LEU A 18 -3.569 -1.236 1.939 1.00 0.00 C ATOM 254 CG LEU A 18 -4.439 -0.244 1.137 1.00 0.00 C ATOM 255 CD1 LEU A 18 -4.038 1.207 1.447 1.00 0.00 C ATOM 256 CD2 LEU A 18 -4.244 -0.516 -0.359 1.00 0.00 C ATOM 0 H LEU A 18 -2.903 -3.042 3.634 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.835 -0.227 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.518 -0.968 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.685 -2.239 1.527 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.484 -0.380 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.664 1.888 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.173 1.402 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.993 1.361 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.853 0.178 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.194 -0.381 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.546 -1.539 -0.585 1.00 0.00 H new ATOM 268 N THR A 19 -6.288 -0.846 3.979 1.00 0.00 N ATOM 269 CA THR A 19 -7.686 -1.221 4.164 1.00 0.00 C ATOM 270 C THR A 19 -8.527 -0.155 3.501 1.00 0.00 C ATOM 271 O THR A 19 -8.340 1.030 3.770 1.00 0.00 O ATOM 272 CB THR A 19 -8.049 -1.284 5.663 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.284 -2.302 6.293 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.539 -1.592 5.822 1.00 0.00 C ATOM 0 H THR A 19 -6.088 0.138 4.160 1.00 0.00 H new ATOM 0 HA THR A 19 -7.864 -2.205 3.731 1.00 0.00 H new ATOM 0 HB THR A 19 -7.829 -0.323 6.127 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.513 -2.341 7.245 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.790 -1.635 6.882 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.126 -0.809 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.764 -2.551 5.356 1.00 0.00 H new ATOM 282 N SER A 20 -9.432 -0.555 2.616 1.00 0.00 N ATOM 283 CA SER A 20 -10.255 0.419 1.912 1.00 0.00 C ATOM 284 C SER A 20 -11.569 -0.186 1.453 1.00 0.00 C ATOM 285 O SER A 20 -11.618 -1.324 0.985 1.00 0.00 O ATOM 286 CB SER A 20 -9.488 0.942 0.690 1.00 0.00 C ATOM 287 OG SER A 20 -10.083 2.151 0.244 1.00 0.00 O ATOM 0 H SER A 20 -9.613 -1.529 2.372 1.00 0.00 H new ATOM 0 HA SER A 20 -10.478 1.233 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.443 1.111 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.503 0.200 -0.108 1.00 0.00 H new ATOM 0 HG SER A 20 -10.929 2.293 0.718 1.00 0.00 H new ATOM 293 N THR A 21 -12.627 0.610 1.560 1.00 0.00 N ATOM 294 CA THR A 21 -13.945 0.184 1.122 1.00 0.00 C ATOM 295 C THR A 21 -14.034 0.382 -0.380 1.00 0.00 C ATOM 296 O THR A 21 -13.832 1.490 -0.877 1.00 0.00 O ATOM 297 CB THR A 21 -15.049 0.998 1.819 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.802 1.007 3.219 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.411 0.359 1.546 1.00 0.00 C ATOM 0 H THR A 21 -12.595 1.553 1.947 1.00 0.00 H new ATOM 0 HA THR A 21 -14.089 -0.865 1.381 1.00 0.00 H new ATOM 0 HB THR A 21 -15.050 2.018 1.436 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.992 0.120 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.190 0.938 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.597 0.344 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.418 -0.661 1.930 1.00 0.00 H new ATOM 307 N CYS A 22 -14.324 -0.699 -1.104 1.00 0.00 N ATOM 308 CA CYS A 22 -14.419 -0.646 -2.565 1.00 0.00 C ATOM 309 C CYS A 22 -15.785 -1.107 -3.038 1.00 0.00 C ATOM 310 O CYS A 22 -16.442 -1.923 -2.393 1.00 0.00 O ATOM 311 CB CYS A 22 -13.325 -1.521 -3.182 1.00 0.00 C ATOM 312 SG CYS A 22 -11.700 -0.963 -2.607 1.00 0.00 S ATOM 0 H CYS A 22 -14.497 -1.621 -0.704 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.282 0.387 -2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.481 -2.564 -2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.374 -1.469 -4.270 1.00 0.00 H new ATOM 317 N GLU A 23 -16.206 -0.557 -4.168 1.00 0.00 N ATOM 318 CA GLU A 23 -17.500 -0.883 -4.744 1.00 0.00 C ATOM 319 C GLU A 23 -17.475 -2.275 -5.369 1.00 0.00 C ATOM 320 O GLU A 23 -16.715 -2.533 -6.303 1.00 0.00 O ATOM 321 CB GLU A 23 -17.865 0.158 -5.811 1.00 0.00 C ATOM 322 CG GLU A 23 -17.584 1.572 -5.282 1.00 0.00 C ATOM 323 CD GLU A 23 -17.884 2.597 -6.377 1.00 0.00 C ATOM 324 OE1 GLU A 23 -17.175 2.594 -7.369 1.00 0.00 O ATOM 325 OE2 GLU A 23 -18.812 3.370 -6.203 1.00 0.00 O ATOM 0 H GLU A 23 -15.666 0.121 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.248 -0.872 -3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.288 -0.021 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.917 0.063 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.199 1.772 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.543 1.654 -4.968 1.00 0.00 H new ATOM 332 N ARG A 24 -18.318 -3.166 -4.855 1.00 0.00 N ATOM 333 CA ARG A 24 -18.388 -4.523 -5.383 1.00 0.00 C ATOM 334 C ARG A 24 -18.907 -4.505 -6.810 1.00 0.00 C ATOM 335 O ARG A 24 -19.578 -3.561 -7.227 1.00 0.00 O ATOM 336 CB ARG A 24 -19.310 -5.403 -4.528 1.00 0.00 C ATOM 337 CG ARG A 24 -18.769 -5.521 -3.084 1.00 0.00 C ATOM 338 CD ARG A 24 -19.295 -6.811 -2.404 1.00 0.00 C ATOM 339 NE ARG A 24 -18.245 -7.867 -2.491 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.339 -8.948 -1.765 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.411 -9.167 -1.055 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.358 -9.810 -1.749 1.00 0.00 N ATOM 0 H ARG A 24 -18.955 -2.975 -4.082 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.381 -4.939 -5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.314 -4.978 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.390 -6.394 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.679 -5.530 -3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.072 -4.649 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.544 -6.613 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.210 -7.148 -2.892 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.451 -7.744 -3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.177 -8.493 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.483 -10.012 -0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.519 -9.638 -2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.431 -10.655 -1.182 1.00 0.00 H new ATOM 356 N THR A 25 -18.592 -5.558 -7.556 1.00 0.00 N ATOM 357 CA THR A 25 -19.027 -5.671 -8.945 1.00 0.00 C ATOM 358 C THR A 25 -20.373 -6.382 -9.024 1.00 0.00 C ATOM 359 O THR A 25 -21.133 -6.185 -9.971 1.00 0.00 O ATOM 360 CB THR A 25 -18.001 -6.468 -9.770 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.738 -5.822 -9.700 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.456 -6.540 -11.228 1.00 0.00 C ATOM 0 H THR A 25 -18.037 -6.346 -7.223 1.00 0.00 H new ATOM 0 HA THR A 25 -19.118 -4.663 -9.349 1.00 0.00 H new ATOM 0 HB THR A 25 -17.919 -7.478 -9.368 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.082 -6.328 -10.223 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.727 -7.105 -11.809 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.426 -7.035 -11.283 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.540 -5.532 -11.633 1.00 0.00 H new ATOM 370 N ASN A 26 -20.660 -7.217 -8.021 1.00 0.00 N ATOM 371 CA ASN A 26 -21.918 -7.975 -7.974 1.00 0.00 C ATOM 372 C ASN A 26 -22.790 -7.498 -6.807 1.00 0.00 C ATOM 373 O ASN A 26 -23.962 -7.174 -6.987 1.00 0.00 O ATOM 374 CB ASN A 26 -21.596 -9.477 -7.821 1.00 0.00 C ATOM 375 CG ASN A 26 -22.729 -10.331 -8.404 1.00 0.00 C ATOM 376 OD1 ASN A 26 -23.884 -9.959 -8.336 1.00 0.00 O ATOM 377 ND2 ASN A 26 -22.441 -11.466 -8.979 1.00 0.00 N ATOM 0 H ASN A 26 -20.039 -7.387 -7.230 1.00 0.00 H new ATOM 0 HA ASN A 26 -22.471 -7.812 -8.899 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.660 -9.708 -8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.455 -9.719 -6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -23.185 -12.042 -9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.471 -11.777 -9.036 1.00 0.00 H new ATOM 384 N GLY A 27 -22.211 -7.481 -5.610 1.00 0.00 N ATOM 385 CA GLY A 27 -22.943 -7.066 -4.420 1.00 0.00 C ATOM 386 C GLY A 27 -23.020 -5.555 -4.263 1.00 0.00 C ATOM 387 O GLY A 27 -23.407 -4.836 -5.183 1.00 0.00 O ATOM 0 H GLY A 27 -21.242 -7.749 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.953 -7.473 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.464 -7.493 -3.539 1.00 0.00 H new ATOM 391 N GLY A 28 -22.661 -5.094 -3.066 1.00 0.00 N ATOM 392 CA GLY A 28 -22.685 -3.668 -2.727 1.00 0.00 C ATOM 393 C GLY A 28 -21.299 -3.140 -2.430 1.00 0.00 C ATOM 394 O GLY A 28 -20.508 -2.906 -3.340 1.00 0.00 O ATOM 0 H GLY A 28 -22.346 -5.695 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.120 -3.105 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.328 -3.511 -1.861 1.00 0.00 H new ATOM 398 N TYR A 29 -21.007 -2.932 -1.146 1.00 0.00 N ATOM 399 CA TYR A 29 -19.702 -2.418 -0.718 1.00 0.00 C ATOM 400 C TYR A 29 -18.934 -3.504 0.031 1.00 0.00 C ATOM 401 O TYR A 29 -19.508 -4.238 0.836 1.00 0.00 O ATOM 402 CB TYR A 29 -19.901 -1.215 0.206 1.00 0.00 C ATOM 403 CG TYR A 29 -20.622 -0.108 -0.539 1.00 0.00 C ATOM 404 CD1 TYR A 29 -19.990 0.531 -1.628 1.00 0.00 C ATOM 405 CD2 TYR A 29 -21.920 0.294 -0.145 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.653 1.567 -2.321 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.581 1.330 -0.841 1.00 0.00 C ATOM 408 CZ TYR A 29 -21.947 1.967 -1.929 1.00 0.00 C ATOM 409 OH TYR A 29 -22.512 3.095 -2.487 1.00 0.00 O ATOM 0 H TYR A 29 -21.657 -3.112 -0.381 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.135 -2.116 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.477 -1.510 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.936 -0.856 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -18.999 0.227 -1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.406 -0.192 0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.168 2.054 -3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.572 1.635 -0.540 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.407 3.233 -2.111 1.00 0.00 H new ATOM 419 N ASN A 30 -17.630 -3.599 -0.238 1.00 0.00 N ATOM 420 CA ASN A 30 -16.772 -4.599 0.413 1.00 0.00 C ATOM 421 C ASN A 30 -15.516 -3.935 0.961 1.00 0.00 C ATOM 422 O ASN A 30 -14.777 -3.282 0.223 1.00 0.00 O ATOM 423 CB ASN A 30 -16.377 -5.685 -0.597 1.00 0.00 C ATOM 424 CG ASN A 30 -15.347 -6.636 0.022 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.701 -7.654 0.583 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.079 -6.343 -0.060 1.00 0.00 N ATOM 0 H ASN A 30 -17.143 -2.997 -0.902 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.325 -5.053 1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.261 -6.245 -0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.964 -5.224 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.384 -6.969 0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.783 -5.488 -0.531 1.00 0.00 H new ATOM 433 N THR A 31 -15.274 -4.115 2.261 1.00 0.00 N ATOM 434 CA THR A 31 -14.096 -3.540 2.916 1.00 0.00 C ATOM 435 C THR A 31 -13.106 -4.631 3.277 1.00 0.00 C ATOM 436 O THR A 31 -13.214 -5.269 4.323 1.00 0.00 O ATOM 437 CB THR A 31 -14.485 -2.778 4.196 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.495 -1.827 3.889 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.256 -2.058 4.754 1.00 0.00 C ATOM 0 H THR A 31 -15.878 -4.654 2.882 1.00 0.00 H new ATOM 0 HA THR A 31 -13.640 -2.843 2.213 1.00 0.00 H new ATOM 0 HB THR A 31 -14.861 -3.481 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.745 -1.342 4.703 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.531 -1.518 5.660 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.481 -2.788 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.879 -1.354 4.012 1.00 0.00 H new ATOM 447 N SER A 32 -12.130 -4.831 2.395 1.00 0.00 N ATOM 448 CA SER A 32 -11.092 -5.837 2.598 1.00 0.00 C ATOM 449 C SER A 32 -9.767 -5.152 2.891 1.00 0.00 C ATOM 450 O SER A 32 -9.689 -3.924 2.934 1.00 0.00 O ATOM 451 CB SER A 32 -10.950 -6.692 1.341 1.00 0.00 C ATOM 452 OG SER A 32 -10.770 -5.842 0.218 1.00 0.00 O ATOM 0 H SER A 32 -12.037 -4.305 1.526 1.00 0.00 H new ATOM 0 HA SER A 32 -11.369 -6.471 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.101 -7.368 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.837 -7.311 1.205 1.00 0.00 H new ATOM 0 HG SER A 32 -9.900 -5.396 0.281 1.00 0.00 H new ATOM 458 N SER A 33 -8.722 -5.949 3.085 1.00 0.00 N ATOM 459 CA SER A 33 -7.398 -5.404 3.367 1.00 0.00 C ATOM 460 C SER A 33 -6.319 -6.297 2.772 1.00 0.00 C ATOM 461 O SER A 33 -6.506 -7.504 2.629 1.00 0.00 O ATOM 462 CB SER A 33 -7.192 -5.278 4.878 1.00 0.00 C ATOM 463 OG SER A 33 -7.526 -6.509 5.504 1.00 0.00 O ATOM 0 H SER A 33 -8.764 -6.968 3.053 1.00 0.00 H new ATOM 0 HA SER A 33 -7.326 -4.416 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.156 -5.017 5.094 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.813 -4.475 5.275 1.00 0.00 H new ATOM 0 HG SER A 33 -7.393 -6.431 6.472 1.00 0.00 H new ATOM 469 N ILE A 34 -5.188 -5.688 2.416 1.00 0.00 N ATOM 470 CA ILE A 34 -4.069 -6.424 1.822 1.00 0.00 C ATOM 471 C ILE A 34 -2.748 -5.904 2.379 1.00 0.00 C ATOM 472 O ILE A 34 -2.456 -4.710 2.308 1.00 0.00 O ATOM 473 CB ILE A 34 -4.080 -6.271 0.280 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.923 -7.067 -0.359 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.948 -4.789 -0.101 1.00 0.00 C ATOM 476 CD1 ILE A 34 -3.073 -8.574 -0.070 1.00 0.00 C ATOM 0 H ILE A 34 -5.021 -4.688 2.528 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.176 -7.479 2.073 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.026 -6.664 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.910 -6.898 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.970 -6.710 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.957 -4.690 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.783 -4.229 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.011 -4.394 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.247 -9.117 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.062 -8.741 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.016 -8.932 -0.483 1.00 0.00 H new ATOM 488 N ASP A 35 -1.953 -6.810 2.939 1.00 0.00 N ATOM 489 CA ASP A 35 -0.667 -6.429 3.506 1.00 0.00 C ATOM 490 C ASP A 35 0.297 -6.049 2.388 1.00 0.00 C ATOM 491 O ASP A 35 0.602 -6.858 1.511 1.00 0.00 O ATOM 492 CB ASP A 35 -0.097 -7.592 4.366 1.00 0.00 C ATOM 493 CG ASP A 35 -0.224 -7.272 5.866 1.00 0.00 C ATOM 494 OD1 ASP A 35 -1.299 -6.867 6.276 1.00 0.00 O ATOM 495 OD2 ASP A 35 0.758 -7.433 6.572 1.00 0.00 O ATOM 0 H ASP A 35 -2.174 -7.803 3.012 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.799 -5.563 4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.632 -8.514 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.950 -7.760 4.112 1.00 0.00 H new ATOM 500 N LEU A 36 0.782 -4.816 2.438 1.00 0.00 N ATOM 501 CA LEU A 36 1.723 -4.337 1.440 1.00 0.00 C ATOM 502 C LEU A 36 3.093 -4.936 1.712 1.00 0.00 C ATOM 503 O LEU A 36 4.033 -4.742 0.942 1.00 0.00 O ATOM 504 CB LEU A 36 1.833 -2.812 1.507 1.00 0.00 C ATOM 505 CG LEU A 36 0.449 -2.147 1.391 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.559 -0.683 1.843 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.042 -2.194 -0.067 1.00 0.00 C ATOM 0 H LEU A 36 0.540 -4.133 3.156 1.00 0.00 H new ATOM 0 HA LEU A 36 1.369 -4.633 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.302 -2.520 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.479 -2.456 0.704 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.261 -2.682 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.417 -0.204 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.899 -0.646 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.273 -0.159 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.022 -1.721 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.664 -1.663 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.116 -3.232 -0.393 1.00 0.00 H new ATOM 519 N ASN A 37 3.194 -5.667 2.817 1.00 0.00 N ATOM 520 CA ASN A 37 4.453 -6.286 3.194 1.00 0.00 C ATOM 521 C ASN A 37 4.821 -7.414 2.244 1.00 0.00 C ATOM 522 O ASN A 37 5.988 -7.783 2.145 1.00 0.00 O ATOM 523 CB ASN A 37 4.379 -6.824 4.625 1.00 0.00 C ATOM 524 CG ASN A 37 5.700 -7.516 4.981 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.764 -6.793 5.206 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.765 -8.726 5.045 1.00 0.00 N flip ATOM 0 H ASN A 37 2.423 -5.843 3.461 1.00 0.00 H new ATOM 0 HA ASN A 37 5.226 -5.519 3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.184 -6.009 5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.551 -7.527 4.718 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.934 -9.291 4.869 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.650 -9.178 5.274 1.00 0.00 H new ATOM 533 N SER A 38 3.835 -7.984 1.557 1.00 0.00 N ATOM 534 CA SER A 38 4.100 -9.089 0.638 1.00 0.00 C ATOM 535 C SER A 38 4.395 -8.583 -0.771 1.00 0.00 C ATOM 536 O SER A 38 4.575 -9.381 -1.691 1.00 0.00 O ATOM 537 CB SER A 38 2.880 -10.010 0.593 1.00 0.00 C ATOM 538 OG SER A 38 2.717 -10.638 1.857 1.00 0.00 O ATOM 0 H SER A 38 2.856 -7.704 1.617 1.00 0.00 H new ATOM 0 HA SER A 38 4.975 -9.630 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.987 -9.438 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.007 -10.762 -0.186 1.00 0.00 H new ATOM 0 HG SER A 38 1.935 -11.227 1.831 1.00 0.00 H new ATOM 544 N VAL A 39 4.427 -7.260 -0.954 1.00 0.00 N ATOM 545 CA VAL A 39 4.684 -6.685 -2.282 1.00 0.00 C ATOM 546 C VAL A 39 5.561 -5.430 -2.193 1.00 0.00 C ATOM 547 O VAL A 39 5.752 -4.736 -3.189 1.00 0.00 O ATOM 548 CB VAL A 39 3.347 -6.323 -2.979 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.672 -7.598 -3.504 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.415 -5.643 -1.971 1.00 0.00 C ATOM 0 H VAL A 39 4.281 -6.574 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 39 5.214 -7.438 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 39 3.549 -5.649 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.733 -7.338 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.330 -8.089 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.473 -8.273 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.475 -5.388 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.220 -6.322 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.886 -4.735 -1.595 1.00 0.00 H new ATOM 560 N ILE A 40 6.103 -5.146 -1.004 1.00 0.00 N ATOM 561 CA ILE A 40 6.972 -3.966 -0.819 1.00 0.00 C ATOM 562 C ILE A 40 8.218 -4.327 -0.002 1.00 0.00 C ATOM 563 O ILE A 40 8.132 -5.040 0.991 1.00 0.00 O ATOM 564 CB ILE A 40 6.210 -2.806 -0.116 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.044 -2.296 -1.003 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.170 -1.651 0.207 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.523 -1.332 -2.100 1.00 0.00 C ATOM 0 H ILE A 40 5.962 -5.705 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 40 7.278 -3.633 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 40 5.794 -3.190 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.542 -3.147 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.307 -1.793 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.621 -0.848 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.959 -2.008 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.612 -1.276 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.670 -1.003 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.000 -0.466 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.239 -1.842 -2.745 1.00 0.00 H new ATOM 579 N ALA A 41 9.380 -3.817 -0.446 1.00 0.00 N ATOM 580 CA ALA A 41 10.674 -4.072 0.220 1.00 0.00 C ATOM 581 C ALA A 41 11.378 -2.748 0.560 1.00 0.00 C ATOM 582 O ALA A 41 11.190 -1.745 -0.128 1.00 0.00 O ATOM 583 CB ALA A 41 11.562 -4.902 -0.710 1.00 0.00 C ATOM 0 H ALA A 41 9.451 -3.220 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 41 10.494 -4.616 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.519 -5.094 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.071 -5.850 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.729 -4.355 -1.638 1.00 0.00 H new ATOM 589 N ALA A 42 12.191 -2.754 1.630 1.00 0.00 N ATOM 590 CA ALA A 42 12.929 -1.548 2.055 1.00 0.00 C ATOM 591 C ALA A 42 14.422 -1.703 1.785 1.00 0.00 C ATOM 592 O ALA A 42 15.077 -2.569 2.365 1.00 0.00 O ATOM 593 CB ALA A 42 12.739 -1.299 3.545 1.00 0.00 C ATOM 0 H ALA A 42 12.355 -3.574 2.214 1.00 0.00 H new ATOM 0 HA ALA A 42 12.535 -0.708 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.291 -0.406 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.679 -1.157 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.110 -2.156 4.107 1.00 0.00 H new ATOM 599 N VAL A 43 14.957 -0.857 0.903 1.00 0.00 N ATOM 600 CA VAL A 43 16.385 -0.899 0.560 1.00 0.00 C ATOM 601 C VAL A 43 16.998 0.496 0.640 1.00 0.00 C ATOM 602 O VAL A 43 16.689 1.365 -0.175 1.00 0.00 O ATOM 603 CB VAL A 43 16.589 -1.435 -0.867 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.086 -1.546 -1.164 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.942 -2.816 -0.985 1.00 0.00 C ATOM 0 H VAL A 43 14.428 -0.136 0.413 1.00 0.00 H new ATOM 0 HA VAL A 43 16.873 -1.561 1.275 1.00 0.00 H new ATOM 0 HB VAL A 43 16.129 -0.753 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.229 -1.926 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.548 -0.563 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.549 -2.229 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.084 -3.199 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.404 -3.497 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.876 -2.737 -0.774 1.00 0.00 H new ATOM 615 N ASP A 44 17.860 0.698 1.635 1.00 0.00 N ATOM 616 CA ASP A 44 18.522 1.984 1.835 1.00 0.00 C ATOM 617 C ASP A 44 17.508 3.099 2.070 1.00 0.00 C ATOM 618 O ASP A 44 17.768 4.260 1.755 1.00 0.00 O ATOM 619 CB ASP A 44 19.416 2.331 0.634 1.00 0.00 C ATOM 620 CG ASP A 44 20.647 1.421 0.628 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.476 0.226 0.800 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.739 1.938 0.455 1.00 0.00 O ATOM 0 H ASP A 44 18.116 -0.016 2.317 1.00 0.00 H new ATOM 0 HA ASP A 44 19.146 1.896 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.858 2.210 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.724 3.375 0.687 1.00 0.00 H new ATOM 627 N GLY A 45 16.358 2.749 2.639 1.00 0.00 N ATOM 628 CA GLY A 45 15.329 3.733 2.923 1.00 0.00 C ATOM 629 C GLY A 45 14.519 4.072 1.692 1.00 0.00 C ATOM 630 O GLY A 45 14.172 5.230 1.465 1.00 0.00 O ATOM 0 H GLY A 45 16.120 1.795 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.666 3.352 3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.791 4.639 3.315 1.00 0.00 H new ATOM 634 N SER A 46 14.220 3.054 0.887 1.00 0.00 N ATOM 635 CA SER A 46 13.450 3.249 -0.341 1.00 0.00 C ATOM 636 C SER A 46 12.457 2.099 -0.534 1.00 0.00 C ATOM 637 O SER A 46 12.844 0.931 -0.568 1.00 0.00 O ATOM 638 CB SER A 46 14.419 3.334 -1.532 1.00 0.00 C ATOM 639 OG SER A 46 15.621 3.961 -1.108 1.00 0.00 O ATOM 0 H SER A 46 14.498 2.088 1.062 1.00 0.00 H new ATOM 0 HA SER A 46 12.881 4.176 -0.273 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.631 2.336 -1.917 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.966 3.900 -2.346 1.00 0.00 H new ATOM 0 HG SER A 46 16.215 3.293 -0.706 1.00 0.00 H new ATOM 645 N LEU A 47 11.172 2.442 -0.648 1.00 0.00 N ATOM 646 CA LEU A 47 10.120 1.438 -0.828 1.00 0.00 C ATOM 647 C LEU A 47 9.931 1.098 -2.304 1.00 0.00 C ATOM 648 O LEU A 47 9.523 1.945 -3.099 1.00 0.00 O ATOM 649 CB LEU A 47 8.797 1.969 -0.266 1.00 0.00 C ATOM 650 CG LEU A 47 8.934 2.281 1.233 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.653 2.972 1.712 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.157 0.984 2.040 1.00 0.00 C ATOM 0 H LEU A 47 10.835 3.404 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 47 10.420 0.536 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.502 2.869 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.008 1.232 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 47 9.794 2.933 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.738 3.199 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.508 3.897 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.801 2.312 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.252 1.226 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.309 0.315 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.068 0.494 1.697 1.00 0.00 H new ATOM 664 N LYS A 48 10.220 -0.157 -2.659 1.00 0.00 N ATOM 665 CA LYS A 48 10.075 -0.634 -4.042 1.00 0.00 C ATOM 666 C LYS A 48 8.993 -1.703 -4.103 1.00 0.00 C ATOM 667 O LYS A 48 8.642 -2.284 -3.084 1.00 0.00 O ATOM 668 CB LYS A 48 11.395 -1.244 -4.541 1.00 0.00 C ATOM 669 CG LYS A 48 12.568 -0.282 -4.279 1.00 0.00 C ATOM 670 CD LYS A 48 12.548 0.924 -5.283 1.00 0.00 C ATOM 671 CE LYS A 48 12.514 2.274 -4.540 1.00 0.00 C ATOM 672 NZ LYS A 48 13.086 3.335 -5.415 1.00 0.00 N ATOM 0 H LYS A 48 10.557 -0.865 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 48 9.805 0.213 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.577 -2.194 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.323 -1.457 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.514 0.092 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.511 -0.820 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.429 0.881 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.677 0.843 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.489 2.526 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.083 2.206 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.064 4.247 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.069 3.095 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.525 3.405 -6.288 1.00 0.00 H new ATOM 686 N TRP A 49 8.479 -1.966 -5.301 1.00 0.00 N ATOM 687 CA TRP A 49 7.442 -2.984 -5.479 1.00 0.00 C ATOM 688 C TRP A 49 8.074 -4.372 -5.501 1.00 0.00 C ATOM 689 O TRP A 49 9.227 -4.524 -5.100 1.00 0.00 O ATOM 690 CB TRP A 49 6.680 -2.714 -6.791 1.00 0.00 C ATOM 691 CG TRP A 49 5.680 -1.634 -6.556 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.711 -0.399 -7.108 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.511 -1.675 -5.697 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.629 0.323 -6.643 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.861 -0.418 -5.770 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.949 -2.676 -4.864 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.701 -0.156 -5.046 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.770 -2.415 -4.127 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.147 -1.152 -4.218 1.00 0.00 C ATOM 0 H TRP A 49 8.760 -1.493 -6.160 1.00 0.00 H new ATOM 0 HA TRP A 49 6.739 -2.940 -4.647 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.375 -2.419 -7.577 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.181 -3.622 -7.131 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.459 -0.037 -7.798 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.424 1.285 -6.912 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.424 -3.643 -4.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.226 0.811 -5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.347 -3.182 -3.495 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.248 -0.950 -3.655 1.00 0.00 H new ATOM 710 N GLN A 50 7.299 -5.374 -5.957 1.00 0.00 N ATOM 711 CA GLN A 50 7.755 -6.772 -6.035 1.00 0.00 C ATOM 712 C GLN A 50 8.850 -7.064 -5.012 1.00 0.00 C ATOM 713 O GLN A 50 9.993 -7.351 -5.363 1.00 0.00 O ATOM 714 CB GLN A 50 8.246 -7.092 -7.461 1.00 0.00 C ATOM 715 CG GLN A 50 9.569 -6.330 -7.800 1.00 0.00 C ATOM 716 CD GLN A 50 9.419 -5.519 -9.095 1.00 0.00 C ATOM 717 OE1 GLN A 50 8.372 -4.962 -9.362 1.00 0.00 O ATOM 718 NE2 GLN A 50 10.433 -5.426 -9.911 1.00 0.00 N ATOM 0 H GLN A 50 6.342 -5.236 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 50 6.907 -7.415 -5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.409 -8.165 -7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.474 -6.820 -8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.831 -5.664 -6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.387 -7.043 -7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.312 -5.893 -9.688 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.347 -4.886 -10.772 1.00 0.00 H new ATOM 727 N GLY A 51 8.477 -6.989 -3.742 1.00 0.00 N ATOM 728 CA GLY A 51 9.414 -7.237 -2.667 1.00 0.00 C ATOM 729 C GLY A 51 8.713 -7.473 -1.348 1.00 0.00 C ATOM 730 O GLY A 51 7.484 -7.479 -1.279 1.00 0.00 O ATOM 0 H GLY A 51 7.532 -6.758 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.026 -8.105 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.090 -6.387 -2.572 1.00 0.00 H new ATOM 734 N SER A 52 9.501 -7.674 -0.294 1.00 0.00 N ATOM 735 CA SER A 52 8.946 -7.922 1.034 1.00 0.00 C ATOM 736 C SER A 52 9.951 -7.528 2.116 1.00 0.00 C ATOM 737 O SER A 52 11.070 -7.114 1.814 1.00 0.00 O ATOM 738 CB SER A 52 8.577 -9.407 1.164 1.00 0.00 C ATOM 739 OG SER A 52 9.594 -10.194 0.559 1.00 0.00 O ATOM 0 H SER A 52 10.520 -7.670 -0.333 1.00 0.00 H new ATOM 0 HA SER A 52 8.050 -7.316 1.165 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.468 -9.677 2.214 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.617 -9.599 0.684 1.00 0.00 H new ATOM 0 HG SER A 52 9.365 -11.143 0.640 1.00 0.00 H new ATOM 745 N ASN A 53 9.537 -7.655 3.377 1.00 0.00 N ATOM 746 CA ASN A 53 10.395 -7.311 4.513 1.00 0.00 C ATOM 747 C ASN A 53 10.762 -5.818 4.488 1.00 0.00 C ATOM 748 O ASN A 53 11.934 -5.453 4.584 1.00 0.00 O ATOM 749 CB ASN A 53 11.675 -8.204 4.522 1.00 0.00 C ATOM 750 CG ASN A 53 11.464 -9.442 5.405 1.00 0.00 C ATOM 751 OD1 ASN A 53 12.129 -9.545 6.523 1.00 0.00 O flip ATOM 752 ND2 ASN A 53 10.691 -10.318 5.075 1.00 0.00 N flip ATOM 0 H ASN A 53 8.611 -7.994 3.639 1.00 0.00 H new ATOM 0 HA ASN A 53 9.842 -7.503 5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.917 -8.513 3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.524 -7.628 4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.171 -10.237 4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.561 -11.135 5.672 1.00 0.00 H new ATOM 759 N PHE A 54 9.744 -4.950 4.401 1.00 0.00 N ATOM 760 CA PHE A 54 9.967 -3.493 4.411 1.00 0.00 C ATOM 761 C PHE A 54 9.514 -2.930 5.752 1.00 0.00 C ATOM 762 O PHE A 54 10.124 -2.017 6.301 1.00 0.00 O ATOM 763 CB PHE A 54 9.203 -2.808 3.242 1.00 0.00 C ATOM 764 CG PHE A 54 7.813 -2.357 3.651 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.644 -1.165 4.386 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.693 -3.122 3.284 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.350 -0.742 4.756 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.396 -2.699 3.645 1.00 0.00 C ATOM 769 CZ PHE A 54 5.224 -1.510 4.387 1.00 0.00 C ATOM 0 H PHE A 54 8.765 -5.226 4.323 1.00 0.00 H new ATOM 0 HA PHE A 54 11.029 -3.291 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.774 -1.948 2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.126 -3.502 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.505 -0.576 4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.825 -4.036 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.221 0.169 5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.536 -3.284 3.354 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.233 -1.189 4.672 1.00 0.00 H new ATOM 779 N ILE A 55 8.435 -3.501 6.265 1.00 0.00 N ATOM 780 CA ILE A 55 7.884 -3.070 7.535 1.00 0.00 C ATOM 781 C ILE A 55 8.880 -3.322 8.657 1.00 0.00 C ATOM 782 O ILE A 55 8.967 -2.545 9.607 1.00 0.00 O ATOM 783 CB ILE A 55 6.575 -3.823 7.838 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.921 -3.276 9.124 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.869 -5.317 8.015 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.562 -1.780 8.965 1.00 0.00 C ATOM 0 H ILE A 55 7.925 -4.264 5.819 1.00 0.00 H new ATOM 0 HA ILE A 55 7.677 -2.002 7.470 1.00 0.00 H new ATOM 0 HB ILE A 55 5.889 -3.677 7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.022 -3.848 9.351 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.601 -3.404 9.966 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.941 -5.848 8.229 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.310 -5.712 7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.565 -5.455 8.842 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.102 -1.416 9.884 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.467 -1.208 8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.863 -1.660 8.137 1.00 0.00 H new ATOM 798 N GLU A 56 9.631 -4.410 8.542 1.00 0.00 N ATOM 799 CA GLU A 56 10.614 -4.739 9.560 1.00 0.00 C ATOM 800 C GLU A 56 11.616 -3.600 9.708 1.00 0.00 C ATOM 801 O GLU A 56 12.172 -3.392 10.785 1.00 0.00 O ATOM 802 CB GLU A 56 11.356 -6.035 9.201 1.00 0.00 C ATOM 803 CG GLU A 56 10.393 -7.248 9.252 1.00 0.00 C ATOM 804 CD GLU A 56 11.179 -8.528 9.565 1.00 0.00 C ATOM 805 OE1 GLU A 56 11.866 -8.543 10.574 1.00 0.00 O ATOM 806 OE2 GLU A 56 11.077 -9.469 8.796 1.00 0.00 O ATOM 0 H GLU A 56 9.579 -5.069 7.765 1.00 0.00 H new ATOM 0 HA GLU A 56 10.091 -4.886 10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.788 -5.949 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.183 -6.191 9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.629 -7.085 10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.876 -7.353 8.298 1.00 0.00 H new ATOM 813 N ALA A 57 11.850 -2.868 8.615 1.00 0.00 N ATOM 814 CA ALA A 57 12.798 -1.747 8.621 1.00 0.00 C ATOM 815 C ALA A 57 12.073 -0.416 8.443 1.00 0.00 C ATOM 816 O ALA A 57 12.698 0.597 8.127 1.00 0.00 O ATOM 817 CB ALA A 57 13.801 -1.931 7.494 1.00 0.00 C ATOM 0 H ALA A 57 11.397 -3.030 7.715 1.00 0.00 H new ATOM 0 HA ALA A 57 13.312 -1.733 9.582 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.507 -1.100 7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.342 -2.867 7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.275 -1.958 6.540 1.00 0.00 H new ATOM 823 N CYS A 58 10.750 -0.414 8.643 1.00 0.00 N ATOM 824 CA CYS A 58 9.959 0.815 8.495 1.00 0.00 C ATOM 825 C CYS A 58 8.850 0.887 9.540 1.00 0.00 C ATOM 826 O CYS A 58 8.392 -0.136 10.045 1.00 0.00 O ATOM 827 CB CYS A 58 9.340 0.877 7.096 1.00 0.00 C ATOM 828 SG CYS A 58 10.626 0.617 5.851 1.00 0.00 S ATOM 0 H CYS A 58 10.209 -1.238 8.905 1.00 0.00 H new ATOM 0 HA CYS A 58 10.630 1.662 8.640 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.565 0.117 6.997 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.861 1.844 6.942 1.00 0.00 H new ATOM 833 N ARG A 59 8.418 2.113 9.852 1.00 0.00 N ATOM 834 CA ARG A 59 7.349 2.325 10.832 1.00 0.00 C ATOM 835 C ARG A 59 6.612 3.633 10.551 1.00 0.00 C ATOM 836 O ARG A 59 6.935 4.346 9.602 1.00 0.00 O ATOM 837 CB ARG A 59 7.913 2.336 12.266 1.00 0.00 C ATOM 838 CG ARG A 59 8.941 3.485 12.473 1.00 0.00 C ATOM 839 CD ARG A 59 10.364 3.002 12.169 1.00 0.00 C ATOM 840 NE ARG A 59 11.329 4.107 12.445 1.00 0.00 N ATOM 841 CZ ARG A 59 11.539 4.506 13.672 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.039 3.836 14.673 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.250 5.578 13.896 1.00 0.00 N ATOM 0 H ARG A 59 8.790 2.970 9.442 1.00 0.00 H new ATOM 0 HA ARG A 59 6.644 1.498 10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.095 2.448 12.978 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.390 1.379 12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.691 4.325 11.825 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.886 3.848 13.499 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.604 2.133 12.781 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.440 2.689 11.128 1.00 0.00 H new ATOM 0 HE ARG A 59 11.826 4.552 11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.483 2.999 14.499 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.204 4.149 15.630 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.641 6.103 13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.414 5.890 14.853 1.00 0.00 H new ATOM 857 N ASN A 60 5.622 3.943 11.386 1.00 0.00 N ATOM 858 CA ASN A 60 4.848 5.171 11.216 1.00 0.00 C ATOM 859 C ASN A 60 4.363 5.294 9.781 1.00 0.00 C ATOM 860 O ASN A 60 4.712 6.242 9.078 1.00 0.00 O ATOM 861 CB ASN A 60 5.705 6.388 11.558 1.00 0.00 C ATOM 862 CG ASN A 60 6.137 6.318 13.021 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.310 6.289 13.911 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.409 6.290 13.309 1.00 0.00 N ATOM 0 H ASN A 60 5.339 3.368 12.179 1.00 0.00 H new ATOM 0 HA ASN A 60 3.990 5.129 11.887 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.582 6.421 10.911 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.142 7.304 11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.711 6.244 14.282 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.102 6.314 12.561 1.00 0.00 H new ATOM 871 N THR A 61 3.560 4.330 9.344 1.00 0.00 N ATOM 872 CA THR A 61 3.036 4.333 7.982 1.00 0.00 C ATOM 873 C THR A 61 1.606 4.866 7.961 1.00 0.00 C ATOM 874 O THR A 61 0.845 4.659 8.907 1.00 0.00 O ATOM 875 CB THR A 61 3.062 2.901 7.407 1.00 0.00 C ATOM 876 OG1 THR A 61 1.921 2.188 7.860 1.00 0.00 O ATOM 877 CG2 THR A 61 4.338 2.166 7.862 1.00 0.00 C ATOM 0 H THR A 61 3.258 3.538 9.911 1.00 0.00 H new ATOM 0 HA THR A 61 3.663 4.982 7.371 1.00 0.00 H new ATOM 0 HB THR A 61 3.054 2.958 6.318 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.710 1.471 7.226 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.344 1.157 7.449 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.215 2.707 7.508 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.359 2.113 8.951 1.00 0.00 H new ATOM 885 N GLN A 62 1.244 5.562 6.880 1.00 0.00 N ATOM 886 CA GLN A 62 -0.100 6.131 6.759 1.00 0.00 C ATOM 887 C GLN A 62 -0.490 6.346 5.297 1.00 0.00 C ATOM 888 O GLN A 62 0.286 6.071 4.382 1.00 0.00 O ATOM 889 CB GLN A 62 -0.168 7.477 7.494 1.00 0.00 C ATOM 890 CG GLN A 62 0.961 8.428 6.999 1.00 0.00 C ATOM 891 CD GLN A 62 0.451 9.875 6.938 1.00 0.00 C ATOM 892 OE1 GLN A 62 -0.054 10.398 7.911 1.00 0.00 O ATOM 893 NE2 GLN A 62 0.560 10.542 5.821 1.00 0.00 N ATOM 0 H GLN A 62 1.856 5.744 6.084 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.797 5.422 7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.140 7.940 7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.071 7.317 8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.818 8.365 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.304 8.114 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.984 10.103 5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.221 11.502 5.765 1.00 0.00 H new ATOM 902 N LEU A 63 -1.711 6.849 5.101 1.00 0.00 N ATOM 903 CA LEU A 63 -2.249 7.122 3.765 1.00 0.00 C ATOM 904 C LEU A 63 -2.002 8.575 3.376 1.00 0.00 C ATOM 905 O LEU A 63 -2.301 9.489 4.144 1.00 0.00 O ATOM 906 CB LEU A 63 -3.762 6.857 3.774 1.00 0.00 C ATOM 907 CG LEU A 63 -4.372 6.993 2.338 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.553 5.611 1.691 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.740 7.695 2.418 1.00 0.00 C ATOM 0 H LEU A 63 -2.353 7.078 5.860 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.752 6.474 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.956 5.856 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.252 7.560 4.448 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.686 7.582 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.978 5.729 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.585 5.115 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.224 5.008 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.161 7.787 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.414 7.108 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.615 8.687 2.852 1.00 0.00 H new ATOM 921 N ALA A 64 -1.453 8.782 2.177 1.00 0.00 N ATOM 922 CA ALA A 64 -1.163 10.132 1.677 1.00 0.00 C ATOM 923 C ALA A 64 -1.835 10.359 0.321 1.00 0.00 C ATOM 924 O ALA A 64 -1.773 9.510 -0.565 1.00 0.00 O ATOM 925 CB ALA A 64 0.347 10.305 1.550 1.00 0.00 C ATOM 0 H ALA A 64 -1.199 8.033 1.533 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.558 10.866 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.569 11.306 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.812 10.169 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.741 9.565 0.854 1.00 0.00 H new ATOM 931 N GLY A 65 -2.474 11.518 0.169 1.00 0.00 N ATOM 932 CA GLY A 65 -3.142 11.860 -1.077 1.00 0.00 C ATOM 933 C GLY A 65 -4.442 11.102 -1.287 1.00 0.00 C ATOM 934 O GLY A 65 -5.499 11.708 -1.447 1.00 0.00 O ATOM 0 H GLY A 65 -2.541 12.232 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.347 12.930 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.470 11.654 -1.910 1.00 0.00 H new ATOM 938 N SER A 66 -4.354 9.774 -1.270 1.00 0.00 N ATOM 939 CA SER A 66 -5.529 8.914 -1.450 1.00 0.00 C ATOM 940 C SER A 66 -5.103 7.499 -1.824 1.00 0.00 C ATOM 941 O SER A 66 -5.703 6.525 -1.370 1.00 0.00 O ATOM 942 CB SER A 66 -6.455 9.467 -2.549 1.00 0.00 C ATOM 943 OG SER A 66 -7.217 8.404 -3.106 1.00 0.00 O ATOM 0 H SER A 66 -3.480 9.266 -1.133 1.00 0.00 H new ATOM 0 HA SER A 66 -6.071 8.895 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.119 10.225 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.865 9.952 -3.327 1.00 0.00 H new ATOM 0 HG SER A 66 -7.808 8.756 -3.804 1.00 0.00 H new ATOM 949 N SER A 67 -4.075 7.391 -2.670 1.00 0.00 N ATOM 950 CA SER A 67 -3.580 6.085 -3.119 1.00 0.00 C ATOM 951 C SER A 67 -2.069 5.989 -2.957 1.00 0.00 C ATOM 952 O SER A 67 -1.423 5.220 -3.661 1.00 0.00 O ATOM 953 CB SER A 67 -3.952 5.869 -4.598 1.00 0.00 C ATOM 954 OG SER A 67 -2.826 6.138 -5.426 1.00 0.00 O ATOM 0 H SER A 67 -3.570 8.188 -3.057 1.00 0.00 H new ATOM 0 HA SER A 67 -4.044 5.314 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.290 4.844 -4.751 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.780 6.522 -4.873 1.00 0.00 H new ATOM 0 HG SER A 67 -2.108 5.504 -5.218 1.00 0.00 H new ATOM 960 N GLU A 68 -1.505 6.763 -2.027 1.00 0.00 N ATOM 961 CA GLU A 68 -0.057 6.732 -1.783 1.00 0.00 C ATOM 962 C GLU A 68 0.217 6.229 -0.378 1.00 0.00 C ATOM 963 O GLU A 68 -0.608 6.377 0.523 1.00 0.00 O ATOM 964 CB GLU A 68 0.568 8.121 -1.989 1.00 0.00 C ATOM 965 CG GLU A 68 0.006 8.761 -3.273 1.00 0.00 C ATOM 966 CD GLU A 68 0.949 9.867 -3.763 1.00 0.00 C ATOM 967 OE1 GLU A 68 1.197 10.788 -3.003 1.00 0.00 O ATOM 968 OE2 GLU A 68 1.408 9.769 -4.890 1.00 0.00 O ATOM 0 H GLU A 68 -2.021 7.414 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 68 0.400 6.051 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.353 8.757 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.652 8.035 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.111 8.002 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.984 9.175 -3.080 1.00 0.00 H new ATOM 975 N LEU A 69 1.387 5.619 -0.209 1.00 0.00 N ATOM 976 CA LEU A 69 1.800 5.061 1.080 1.00 0.00 C ATOM 977 C LEU A 69 3.050 5.770 1.555 1.00 0.00 C ATOM 978 O LEU A 69 4.108 5.648 0.951 1.00 0.00 O ATOM 979 CB LEU A 69 2.043 3.546 0.891 1.00 0.00 C ATOM 980 CG LEU A 69 2.692 2.824 2.122 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.225 2.767 2.007 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.313 3.474 3.465 1.00 0.00 C ATOM 0 H LEU A 69 2.073 5.497 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 69 1.029 5.204 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.091 3.065 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.686 3.401 0.023 1.00 0.00 H new ATOM 0 HG LEU A 69 2.289 1.811 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.637 2.259 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.502 2.221 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.624 3.780 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.792 2.931 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.647 4.511 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.231 3.440 3.593 1.00 0.00 H new ATOM 994 N ALA A 70 2.910 6.524 2.644 1.00 0.00 N ATOM 995 CA ALA A 70 4.028 7.267 3.223 1.00 0.00 C ATOM 996 C ALA A 70 4.495 6.560 4.484 1.00 0.00 C ATOM 997 O ALA A 70 3.680 6.108 5.286 1.00 0.00 O ATOM 998 CB ALA A 70 3.588 8.684 3.554 1.00 0.00 C ATOM 0 H ALA A 70 2.029 6.637 3.145 1.00 0.00 H new ATOM 0 HA ALA A 70 4.849 7.313 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.425 9.233 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.256 9.184 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.767 8.652 4.270 1.00 0.00 H new ATOM 1004 N ALA A 71 5.804 6.454 4.651 1.00 0.00 N ATOM 1005 CA ALA A 71 6.356 5.783 5.818 1.00 0.00 C ATOM 1006 C ALA A 71 7.838 6.082 5.948 1.00 0.00 C ATOM 1007 O ALA A 71 8.498 6.438 4.972 1.00 0.00 O ATOM 1008 CB ALA A 71 6.153 4.281 5.685 1.00 0.00 C ATOM 0 H ALA A 71 6.499 6.820 4.000 1.00 0.00 H new ATOM 0 HA ALA A 71 5.843 6.147 6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.567 3.779 6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.088 4.063 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.659 3.923 4.788 1.00 0.00 H new ATOM 1014 N GLU A 72 8.364 5.919 7.159 1.00 0.00 N ATOM 1015 CA GLU A 72 9.782 6.154 7.411 1.00 0.00 C ATOM 1016 C GLU A 72 10.533 4.825 7.371 1.00 0.00 C ATOM 1017 O GLU A 72 10.154 3.882 8.058 1.00 0.00 O ATOM 1018 CB GLU A 72 9.970 6.826 8.782 1.00 0.00 C ATOM 1019 CG GLU A 72 9.598 8.321 8.711 1.00 0.00 C ATOM 1020 CD GLU A 72 10.172 9.060 9.927 1.00 0.00 C ATOM 1021 OE1 GLU A 72 9.711 8.801 11.026 1.00 0.00 O ATOM 1022 OE2 GLU A 72 11.064 9.871 9.735 1.00 0.00 O ATOM 0 H GLU A 72 7.832 5.626 7.978 1.00 0.00 H new ATOM 0 HA GLU A 72 10.180 6.815 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.349 6.326 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.005 6.719 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.987 8.758 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.514 8.434 8.684 1.00 0.00 H new ATOM 1029 N CYS A 73 11.596 4.756 6.557 1.00 0.00 N ATOM 1030 CA CYS A 73 12.397 3.526 6.425 1.00 0.00 C ATOM 1031 C CYS A 73 13.863 3.790 6.750 1.00 0.00 C ATOM 1032 O CYS A 73 14.402 4.852 6.441 1.00 0.00 O ATOM 1033 CB CYS A 73 12.276 2.979 5.006 1.00 0.00 C ATOM 1034 SG CYS A 73 10.615 2.317 4.765 1.00 0.00 S ATOM 0 H CYS A 73 11.922 5.533 5.982 1.00 0.00 H new ATOM 0 HA CYS A 73 12.014 2.792 7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.475 3.768 4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.019 2.199 4.840 1.00 0.00 H new ATOM 1039 N LYS A 74 14.488 2.809 7.394 1.00 0.00 N ATOM 1040 CA LYS A 74 15.889 2.910 7.805 1.00 0.00 C ATOM 1041 C LYS A 74 16.850 2.664 6.633 1.00 0.00 C ATOM 1042 O LYS A 74 16.714 1.691 5.894 1.00 0.00 O ATOM 1043 CB LYS A 74 16.147 1.882 8.943 1.00 0.00 C ATOM 1044 CG LYS A 74 16.780 2.558 10.165 1.00 0.00 C ATOM 1045 CD LYS A 74 17.090 1.492 11.219 1.00 0.00 C ATOM 1046 CE LYS A 74 17.701 2.140 12.473 1.00 0.00 C ATOM 1047 NZ LYS A 74 18.573 1.146 13.156 1.00 0.00 N ATOM 0 H LYS A 74 14.043 1.926 7.645 1.00 0.00 H new ATOM 0 HA LYS A 74 16.077 3.923 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.208 1.410 9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.803 1.091 8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.693 3.079 9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.102 3.307 10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.178 0.959 11.485 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.781 0.756 10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.279 3.022 12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.912 2.474 13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.991 1.576 14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.007 0.318 13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.332 0.848 12.510 1.00 0.00 H new ATOM 1061 N THR A 75 17.812 3.574 6.473 1.00 0.00 N ATOM 1062 CA THR A 75 18.792 3.466 5.393 1.00 0.00 C ATOM 1063 C THR A 75 19.902 2.479 5.744 1.00 0.00 C ATOM 1064 O THR A 75 19.962 1.960 6.858 1.00 0.00 O ATOM 1065 CB THR A 75 19.440 4.824 5.073 1.00 0.00 C ATOM 1066 OG1 THR A 75 20.175 5.271 6.201 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.356 5.845 4.714 1.00 0.00 C ATOM 0 H THR A 75 17.933 4.389 7.074 1.00 0.00 H new ATOM 0 HA THR A 75 18.243 3.111 4.521 1.00 0.00 H new ATOM 0 HB THR A 75 20.115 4.715 4.224 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.078 5.531 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.821 6.805 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.802 5.496 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.673 5.961 5.555 1.00 0.00 H new ATOM 1075 N ALA A 76 20.777 2.227 4.774 1.00 0.00 N ATOM 1076 CA ALA A 76 21.887 1.301 4.970 1.00 0.00 C ATOM 1077 C ALA A 76 22.774 1.758 6.123 1.00 0.00 C ATOM 1078 O ALA A 76 23.501 0.958 6.712 1.00 0.00 O ATOM 1079 CB ALA A 76 22.707 1.211 3.692 1.00 0.00 C ATOM 0 H ALA A 76 20.739 2.650 3.847 1.00 0.00 H new ATOM 0 HA ALA A 76 21.483 0.319 5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.536 0.519 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.076 0.853 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.098 2.197 3.440 1.00 0.00 H new ATOM 1085 N ALA A 77 22.714 3.050 6.436 1.00 0.00 N ATOM 1086 CA ALA A 77 23.520 3.614 7.519 1.00 0.00 C ATOM 1087 C ALA A 77 22.795 3.499 8.856 1.00 0.00 C ATOM 1088 O ALA A 77 23.412 3.625 9.914 1.00 0.00 O ATOM 1089 CB ALA A 77 23.816 5.076 7.226 1.00 0.00 C ATOM 0 H ALA A 77 22.118 3.725 5.958 1.00 0.00 H new ATOM 0 HA ALA A 77 24.452 3.053 7.582 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.416 5.495 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.365 5.155 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.879 5.628 7.147 1.00 0.00 H new ATOM 1095 N GLY A 78 21.483 3.251 8.812 1.00 0.00 N ATOM 1096 CA GLY A 78 20.692 3.117 10.030 1.00 0.00 C ATOM 1097 C GLY A 78 19.966 4.402 10.392 1.00 0.00 C ATOM 1098 O GLY A 78 19.800 4.712 11.571 1.00 0.00 O ATOM 0 H GLY A 78 20.952 3.140 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.965 2.315 9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.344 2.827 10.854 1.00 0.00 H new ATOM 1102 N GLN A 79 19.527 5.153 9.373 1.00 0.00 N ATOM 1103 CA GLN A 79 18.803 6.418 9.594 1.00 0.00 C ATOM 1104 C GLN A 79 17.432 6.361 8.913 1.00 0.00 C ATOM 1105 O GLN A 79 17.305 5.892 7.786 1.00 0.00 O ATOM 1106 CB GLN A 79 19.657 7.612 9.078 1.00 0.00 C ATOM 1107 CG GLN A 79 19.246 8.043 7.656 1.00 0.00 C ATOM 1108 CD GLN A 79 20.330 8.935 7.047 1.00 0.00 C ATOM 1109 OE1 GLN A 79 20.587 10.018 7.534 1.00 0.00 O ATOM 1110 NE2 GLN A 79 20.979 8.520 5.994 1.00 0.00 N ATOM 0 H GLN A 79 19.658 4.910 8.391 1.00 0.00 H new ATOM 0 HA GLN A 79 18.636 6.565 10.661 1.00 0.00 H new ATOM 0 HB2 GLN A 79 19.548 8.456 9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 79 20.711 7.333 9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 79 19.093 7.164 7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 79 18.298 8.580 7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 79 20.762 7.610 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 79 21.704 9.105 5.578 1.00 0.00 H new ATOM 1119 N PHE A 80 16.406 6.827 9.614 1.00 0.00 N ATOM 1120 CA PHE A 80 15.047 6.812 9.078 1.00 0.00 C ATOM 1121 C PHE A 80 14.787 8.037 8.192 1.00 0.00 C ATOM 1122 O PHE A 80 14.842 9.175 8.654 1.00 0.00 O ATOM 1123 CB PHE A 80 14.046 6.779 10.253 1.00 0.00 C ATOM 1124 CG PHE A 80 13.859 5.350 10.741 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.184 4.414 9.928 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.364 4.951 12.001 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.016 3.084 10.370 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.189 3.622 12.444 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.514 2.689 11.629 1.00 0.00 C ATOM 0 H PHE A 80 16.486 7.219 10.552 1.00 0.00 H new ATOM 0 HA PHE A 80 14.920 5.925 8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.409 7.405 11.068 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.088 7.192 9.936 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.796 4.716 8.967 1.00 0.00 H new ATOM 0 HD2 PHE A 80 14.884 5.664 12.624 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.505 2.368 9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.572 3.319 13.407 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.379 1.673 11.969 1.00 0.00 H new ATOM 1139 N VAL A 81 14.480 7.780 6.915 1.00 0.00 N ATOM 1140 CA VAL A 81 14.175 8.846 5.947 1.00 0.00 C ATOM 1141 C VAL A 81 12.705 8.748 5.566 1.00 0.00 C ATOM 1142 O VAL A 81 12.060 7.768 5.905 1.00 0.00 O ATOM 1143 CB VAL A 81 15.028 8.696 4.675 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.504 8.878 5.030 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.816 7.301 4.080 1.00 0.00 C ATOM 0 H VAL A 81 14.436 6.839 6.524 1.00 0.00 H new ATOM 0 HA VAL A 81 14.398 9.811 6.403 1.00 0.00 H new ATOM 0 HB VAL A 81 14.732 9.451 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.110 8.772 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.656 9.870 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.799 8.122 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.420 7.194 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.113 6.546 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.764 7.169 3.829 1.00 0.00 H new ATOM 1155 N SER A 82 12.167 9.737 4.846 1.00 0.00 N ATOM 1156 CA SER A 82 10.756 9.694 4.440 1.00 0.00 C ATOM 1157 C SER A 82 10.617 9.032 3.074 1.00 0.00 C ATOM 1158 O SER A 82 11.153 9.528 2.083 1.00 0.00 O ATOM 1159 CB SER A 82 10.192 11.119 4.369 1.00 0.00 C ATOM 1160 OG SER A 82 9.982 11.609 5.685 1.00 0.00 O ATOM 0 H SER A 82 12.676 10.565 4.536 1.00 0.00 H new ATOM 0 HA SER A 82 10.201 9.114 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.883 11.769 3.833 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.254 11.124 3.813 1.00 0.00 H new ATOM 0 HG SER A 82 9.623 12.520 5.642 1.00 0.00 H new ATOM 1166 N THR A 83 9.899 7.907 3.022 1.00 0.00 N ATOM 1167 CA THR A 83 9.697 7.181 1.765 1.00 0.00 C ATOM 1168 C THR A 83 8.234 7.197 1.356 1.00 0.00 C ATOM 1169 O THR A 83 7.338 7.211 2.201 1.00 0.00 O ATOM 1170 CB THR A 83 10.129 5.713 1.909 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.252 5.053 2.813 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.563 5.643 2.440 1.00 0.00 C ATOM 0 H THR A 83 9.449 7.480 3.832 1.00 0.00 H new ATOM 0 HA THR A 83 10.301 7.680 1.007 1.00 0.00 H new ATOM 0 HB THR A 83 10.086 5.225 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.221 5.548 3.658 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.863 4.600 2.540 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.233 6.149 1.745 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.615 6.130 3.414 1.00 0.00 H new ATOM 1180 N LYS A 84 8.003 7.188 0.046 1.00 0.00 N ATOM 1181 CA LYS A 84 6.648 7.196 -0.495 1.00 0.00 C ATOM 1182 C LYS A 84 6.560 6.306 -1.729 1.00 0.00 C ATOM 1183 O LYS A 84 7.556 6.067 -2.410 1.00 0.00 O ATOM 1184 CB LYS A 84 6.236 8.627 -0.870 1.00 0.00 C ATOM 1185 CG LYS A 84 7.266 9.259 -1.858 1.00 0.00 C ATOM 1186 CD LYS A 84 6.548 9.959 -3.029 1.00 0.00 C ATOM 1187 CE LYS A 84 5.807 11.206 -2.528 1.00 0.00 C ATOM 1188 NZ LYS A 84 6.776 12.328 -2.381 1.00 0.00 N ATOM 0 H LYS A 84 8.738 7.175 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 84 5.973 6.812 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.246 8.618 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.166 9.238 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.891 9.978 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.929 8.484 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.273 10.240 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.843 9.271 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.018 11.481 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.326 10.998 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.272 13.184 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.494 12.076 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.240 12.508 -3.294 1.00 0.00 H new ATOM 1202 N ILE A 85 5.356 5.828 -2.011 1.00 0.00 N ATOM 1203 CA ILE A 85 5.123 4.973 -3.168 1.00 0.00 C ATOM 1204 C ILE A 85 3.640 4.999 -3.506 1.00 0.00 C ATOM 1205 O ILE A 85 2.791 4.984 -2.614 1.00 0.00 O ATOM 1206 CB ILE A 85 5.586 3.527 -2.888 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.400 2.639 -4.150 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.787 2.959 -1.712 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.423 1.477 -4.144 1.00 0.00 C ATOM 0 H ILE A 85 4.523 6.018 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 85 5.701 5.347 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 85 6.646 3.533 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.386 2.240 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.529 3.241 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.111 1.938 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.955 3.573 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.725 2.961 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.281 0.863 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.435 1.883 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.274 0.866 -3.254 1.00 0.00 H new ATOM 1221 N ASN A 86 3.326 5.048 -4.796 1.00 0.00 N ATOM 1222 CA ASN A 86 1.934 5.097 -5.237 1.00 0.00 C ATOM 1223 C ASN A 86 1.332 3.692 -5.241 1.00 0.00 C ATOM 1224 O ASN A 86 1.748 2.843 -6.022 1.00 0.00 O ATOM 1225 CB ASN A 86 1.874 5.737 -6.647 1.00 0.00 C ATOM 1226 CG ASN A 86 0.663 6.675 -6.765 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.422 6.407 -6.092 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.712 7.664 -7.470 1.00 0.00 N flip ATOM 0 H ASN A 86 4.011 5.055 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 86 1.348 5.705 -4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.792 6.293 -6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.811 4.956 -7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.560 7.874 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.095 8.284 -7.535 1.00 0.00 H new ATOM 1235 N LEU A 87 0.334 3.470 -4.383 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.336 2.174 -4.302 1.00 0.00 C ATOM 1237 C LEU A 87 -1.098 1.881 -5.590 1.00 0.00 C ATOM 1238 O LEU A 87 -1.264 0.726 -5.981 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.307 2.166 -3.121 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.550 2.286 -1.787 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.578 2.506 -0.665 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.279 1.007 -1.511 1.00 0.00 C ATOM 0 H LEU A 87 -0.026 4.171 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 87 0.421 1.402 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.012 2.991 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.891 1.245 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 87 0.142 3.127 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.061 2.594 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.139 3.420 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.265 1.660 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.806 1.113 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.387 0.145 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.002 0.861 -2.314 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.551 2.937 -6.248 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.289 2.787 -7.494 1.00 0.00 C ATOM 1256 C ASP A 88 -1.406 2.166 -8.570 1.00 0.00 C ATOM 1257 O ASP A 88 -1.895 1.710 -9.603 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.775 4.153 -7.974 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.585 5.093 -8.148 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.466 4.631 -8.008 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.813 6.258 -8.428 1.00 0.00 O ATOM 0 H ASP A 88 -1.422 3.902 -5.943 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.141 2.132 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.308 4.048 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.479 4.572 -7.255 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.103 2.170 -8.327 1.00 0.00 N ATOM 1267 CA ASP A 89 0.848 1.626 -9.288 1.00 0.00 C ATOM 1268 C ASP A 89 0.623 0.129 -9.514 1.00 0.00 C ATOM 1269 O ASP A 89 1.037 -0.414 -10.538 1.00 0.00 O ATOM 1270 CB ASP A 89 2.281 1.879 -8.793 1.00 0.00 C ATOM 1271 CG ASP A 89 3.268 1.770 -9.959 1.00 0.00 C ATOM 1272 OD1 ASP A 89 2.966 2.301 -11.016 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.310 1.163 -9.774 1.00 0.00 O ATOM 0 H ASP A 89 0.319 2.542 -7.476 1.00 0.00 H new ATOM 0 HA ASP A 89 0.696 2.130 -10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.348 2.868 -8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.539 1.156 -8.019 1.00 0.00 H new ATOM 1278 N HIS A 90 -0.034 -0.540 -8.561 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.299 -1.979 -8.692 1.00 0.00 C ATOM 1280 C HIS A 90 -1.577 -2.383 -7.953 1.00 0.00 C ATOM 1281 O HIS A 90 -2.369 -3.170 -8.470 1.00 0.00 O ATOM 1282 CB HIS A 90 0.878 -2.790 -8.142 1.00 0.00 C ATOM 1283 CG HIS A 90 2.075 -2.643 -9.045 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.293 -3.483 -10.125 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.133 -1.769 -9.031 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.443 -3.102 -10.710 1.00 0.00 C ATOM 1287 NE2 HIS A 90 3.996 -2.062 -10.082 1.00 0.00 N ATOM 0 H HIS A 90 -0.388 -0.118 -7.703 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.429 -2.191 -9.753 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.127 -2.449 -7.137 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.600 -3.841 -8.062 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.691 -4.251 -10.423 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.274 -0.975 -8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.867 -3.579 -11.581 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.777 -1.856 -6.744 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.976 -2.197 -5.975 1.00 0.00 C ATOM 1297 C ILE A 91 -4.217 -1.932 -6.816 1.00 0.00 C ATOM 1298 O ILE A 91 -4.492 -0.792 -7.189 1.00 0.00 O ATOM 1299 CB ILE A 91 -3.083 -1.362 -4.680 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.793 -1.479 -3.825 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.305 -1.832 -3.878 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.275 -2.923 -3.764 1.00 0.00 C ATOM 0 H ILE A 91 -1.140 -1.206 -6.284 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.903 -3.251 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.202 -0.312 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.021 -0.834 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.994 -1.122 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.386 -1.246 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.206 -1.698 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.191 -2.886 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.371 -2.960 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.037 -3.564 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.049 -3.271 -4.772 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.970 -2.996 -7.113 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.196 -2.887 -7.918 1.00 0.00 C ATOM 1316 C ALA A 92 -7.410 -3.247 -7.078 1.00 0.00 C ATOM 1317 O ALA A 92 -7.295 -3.564 -5.894 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.121 -3.829 -9.120 1.00 0.00 C ATOM 0 H ALA A 92 -4.753 -3.945 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.289 -1.858 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.034 -3.740 -9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.263 -3.563 -9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.013 -4.856 -8.771 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.574 -3.216 -7.719 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.834 -3.556 -7.065 1.00 0.00 C ATOM 1326 C ASN A 93 -10.548 -4.632 -7.871 1.00 0.00 C ATOM 1327 O ASN A 93 -10.987 -4.381 -8.993 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.725 -2.323 -6.980 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.966 -2.646 -6.147 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.868 -3.257 -5.101 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.138 -2.258 -6.568 1.00 0.00 N ATOM 0 H ASN A 93 -8.671 -2.956 -8.701 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.626 -3.922 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.177 -1.496 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.018 -2.004 -7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.972 -2.467 -6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.220 -1.745 -7.446 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.657 -5.833 -7.300 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.317 -6.956 -7.976 1.00 0.00 C ATOM 1340 C ILE A 94 -12.587 -7.349 -7.225 1.00 0.00 C ATOM 1341 O ILE A 94 -12.527 -7.968 -6.162 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.381 -8.200 -8.051 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.922 -7.780 -8.343 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.868 -9.172 -9.136 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.769 -7.246 -9.775 1.00 0.00 C ATOM 0 H ILE A 94 -10.298 -6.055 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.561 -6.631 -8.987 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.411 -8.699 -7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.613 -7.014 -7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.260 -8.634 -8.199 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.204 -10.035 -9.176 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.880 -9.503 -8.901 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.867 -8.668 -10.103 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.732 -6.960 -9.948 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.054 -8.022 -10.485 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.413 -6.377 -9.910 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.730 -6.996 -7.795 1.00 0.00 N ATOM 1358 CA ASP A 95 -15.012 -7.325 -7.188 1.00 0.00 C ATOM 1359 C ASP A 95 -15.160 -6.651 -5.820 1.00 0.00 C ATOM 1360 O ASP A 95 -15.842 -7.167 -4.935 1.00 0.00 O ATOM 1361 CB ASP A 95 -15.138 -8.860 -7.061 1.00 0.00 C ATOM 1362 CG ASP A 95 -16.599 -9.298 -7.240 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -17.351 -9.189 -6.286 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.936 -9.731 -8.330 1.00 0.00 O ATOM 0 H ASP A 95 -13.796 -6.483 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.814 -6.951 -7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.513 -9.345 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.773 -9.181 -6.085 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.528 -5.489 -5.663 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.602 -4.739 -4.415 1.00 0.00 C ATOM 1371 C GLY A 96 -13.559 -5.168 -3.401 1.00 0.00 C ATOM 1372 O GLY A 96 -13.659 -4.828 -2.222 1.00 0.00 O ATOM 0 H GLY A 96 -13.959 -5.048 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.478 -3.677 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.594 -4.863 -3.982 1.00 0.00 H new ATOM 1376 N THR A 97 -12.554 -5.917 -3.856 1.00 0.00 N ATOM 1377 CA THR A 97 -11.480 -6.396 -2.973 1.00 0.00 C ATOM 1378 C THR A 97 -10.134 -5.879 -3.462 1.00 0.00 C ATOM 1379 O THR A 97 -9.922 -5.747 -4.660 1.00 0.00 O ATOM 1380 CB THR A 97 -11.437 -7.934 -2.959 1.00 0.00 C ATOM 1381 OG1 THR A 97 -11.001 -8.402 -4.226 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.834 -8.480 -2.666 1.00 0.00 C ATOM 0 H THR A 97 -12.458 -6.207 -4.829 1.00 0.00 H new ATOM 0 HA THR A 97 -11.680 -6.027 -1.967 1.00 0.00 H new ATOM 0 HB THR A 97 -10.747 -8.274 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.755 -8.400 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.804 -9.570 -2.656 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.170 -8.117 -1.695 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.526 -8.143 -3.438 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.218 -5.596 -2.535 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.891 -5.097 -2.908 1.00 0.00 C ATOM 1392 C LEU A 98 -6.944 -6.257 -3.198 1.00 0.00 C ATOM 1393 O LEU A 98 -6.852 -7.204 -2.419 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.304 -4.251 -1.771 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.322 -3.203 -1.293 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.767 -2.487 -0.056 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.582 -2.172 -2.404 1.00 0.00 C ATOM 0 H LEU A 98 -9.366 -5.702 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.000 -4.486 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.021 -4.896 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.396 -3.754 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.259 -3.702 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.486 -1.743 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.592 -3.214 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.829 -1.995 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.305 -1.435 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.649 -1.672 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.977 -2.678 -3.285 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.229 -6.164 -4.318 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.269 -7.199 -4.712 1.00 0.00 C ATOM 1411 C LYS A 99 -4.133 -6.569 -5.516 1.00 0.00 C ATOM 1412 O LYS A 99 -4.317 -5.559 -6.193 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.964 -8.284 -5.570 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.704 -9.353 -4.684 1.00 0.00 C ATOM 1415 CD LYS A 99 -8.238 -9.271 -4.869 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.894 -10.601 -4.471 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.558 -10.928 -3.058 1.00 0.00 N ATOM 0 H LYS A 99 -6.295 -5.383 -4.970 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.869 -7.663 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.681 -7.811 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.223 -8.782 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.356 -10.352 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.453 -9.196 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.642 -8.462 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.474 -9.037 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.975 -10.533 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.550 -11.398 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.159 -11.711 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.559 -11.209 -2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.721 -10.093 -2.460 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.961 -7.190 -5.437 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.781 -6.714 -6.156 1.00 0.00 C ATOM 1433 C TYR A 100 -1.756 -7.300 -7.567 1.00 0.00 C ATOM 1434 O TYR A 100 -1.984 -8.496 -7.754 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.527 -7.139 -5.385 1.00 0.00 C ATOM 1436 CG TYR A 100 0.722 -6.772 -6.157 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.249 -5.467 -6.067 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.373 -7.741 -6.952 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.421 -5.129 -6.776 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.551 -7.403 -7.652 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.071 -6.094 -7.570 1.00 0.00 C ATOM 1442 OH TYR A 100 4.263 -5.783 -8.189 1.00 0.00 O ATOM 0 H TYR A 100 -2.801 -8.029 -4.879 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.811 -5.627 -6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.513 -6.656 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.549 -8.214 -5.208 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.755 -4.726 -5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.970 -8.740 -7.024 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.821 -4.128 -6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.055 -8.147 -8.251 1.00 0.00 H new ATOM 0 HH TYR A 100 4.580 -6.559 -8.697 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.472 -6.452 -8.559 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.411 -6.894 -9.959 1.00 0.00 C ATOM 1454 C GLU A 101 0.037 -7.136 -10.369 1.00 0.00 C ATOM 1455 O GLU A 101 0.695 -6.173 -10.730 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.012 -5.829 -10.882 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.459 -5.502 -10.466 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.431 -6.549 -11.025 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.261 -7.717 -10.716 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.332 -6.161 -11.752 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.478 -8.269 -10.279 1.00 0.00 O ATOM 0 H GLU A 101 -1.281 -5.459 -8.422 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.981 -7.819 -10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.405 -4.925 -10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.996 -6.183 -11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.533 -5.473 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.733 -4.512 -10.831 1.00 0.00 H new