USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Set 1.1: A 47 HIS :FLIP no HD1:sc= -3.41 F(o=-8.8!,f=-5.3) USER MOD Set 1.2: A 201 HEC O2D : rot -130:sc= -1.89 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -161:sc= -0.227 (180deg=0) USER MOD Set 2.2: A 60 ASN :FLIP amide:sc= -0.305 F(o=-6.3!,f=-0.53) USER MOD Single : A 33 THR OG1 : rot 26:sc= 0.791 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0476 F(o=-0.74,f=0.048) USER MOD Single : A 41 GLN : amide:sc=-0.00353 X(o=-0.0035,f=-0.087) USER MOD Single : A 44 ASN : amide:sc= -0.573 K(o=-0.57,f=-3.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc=0.000565 USER MOD Single : A 64 THR OG1 : rot 145:sc= -1.58! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0488 F(o=-0.62,f=-0.049) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= -0.0663 (180deg=-0.0996) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 65:sc= 0.136 USER MOD Single : A 201 HEC O2A : rot 170:sc= -1.56 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -11.086 -7.177 -6.278 1.00 1.00 N ATOM 2 CA ALA A 25 -11.719 -8.459 -6.015 1.00 1.00 C ATOM 3 C ALA A 25 -10.664 -9.451 -5.521 1.00 1.00 C ATOM 4 O ALA A 25 -9.922 -10.022 -6.319 1.00 1.00 O ATOM 5 CB ALA A 25 -12.431 -8.946 -7.278 1.00 1.00 C ATOM 0 HA ALA A 25 -12.473 -8.362 -5.233 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.905 -9.907 -7.080 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.190 -8.220 -7.571 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.706 -9.058 -8.084 1.00 1.00 H new ATOM 11 N GLY A 26 -10.630 -9.626 -4.208 1.00 1.00 N ATOM 12 CA GLY A 26 -9.679 -10.539 -3.598 1.00 1.00 C ATOM 13 C GLY A 26 -8.595 -9.773 -2.837 1.00 1.00 C ATOM 14 O GLY A 26 -8.563 -9.792 -1.607 1.00 1.00 O ATOM 0 H GLY A 26 -11.247 -9.150 -3.549 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.200 -11.211 -2.917 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.219 -11.159 -4.368 1.00 1.00 H new ATOM 18 N GLY A 27 -7.732 -9.118 -3.599 1.00 1.00 N ATOM 19 CA GLY A 27 -6.649 -8.347 -3.012 1.00 1.00 C ATOM 20 C GLY A 27 -7.192 -7.245 -2.100 1.00 1.00 C ATOM 21 O GLY A 27 -6.523 -6.831 -1.155 1.00 1.00 O ATOM 0 H GLY A 27 -7.761 -9.105 -4.619 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -5.996 -9.007 -2.441 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.043 -7.904 -3.802 1.00 1.00 H new ATOM 25 N GLY A 28 -8.400 -6.802 -2.415 1.00 1.00 N ATOM 26 CA GLY A 28 -9.041 -5.756 -1.636 1.00 1.00 C ATOM 27 C GLY A 28 -9.385 -6.253 -0.230 1.00 1.00 C ATOM 28 O GLY A 28 -9.184 -5.538 0.751 1.00 1.00 O ATOM 0 H GLY A 28 -8.952 -7.148 -3.199 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.381 -4.891 -1.569 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -9.949 -5.426 -2.141 1.00 1.00 H new ATOM 32 N GLU A 29 -9.897 -7.474 -0.177 1.00 1.00 N ATOM 33 CA GLU A 29 -10.271 -8.074 1.092 1.00 1.00 C ATOM 34 C GLU A 29 -9.085 -8.054 2.058 1.00 1.00 C ATOM 35 O GLU A 29 -9.270 -8.019 3.274 1.00 1.00 O ATOM 36 CB GLU A 29 -10.792 -9.499 0.892 1.00 1.00 C ATOM 37 CG GLU A 29 -11.340 -10.071 2.201 1.00 1.00 C ATOM 38 CD GLU A 29 -12.860 -10.230 2.136 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.592 -9.449 2.761 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.275 -11.206 1.403 1.00 1.00 O ATOM 0 H GLU A 29 -10.062 -8.064 -0.993 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.078 -7.485 1.527 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.575 -9.501 0.134 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -9.988 -10.135 0.521 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -10.878 -11.038 2.401 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -11.075 -9.413 3.029 1.00 1.00 H new ATOM 48 N LEU A 30 -7.892 -8.078 1.481 1.00 1.00 N ATOM 49 CA LEU A 30 -6.676 -8.064 2.276 1.00 1.00 C ATOM 50 C LEU A 30 -6.341 -6.621 2.661 1.00 1.00 C ATOM 51 O LEU A 30 -5.925 -6.357 3.789 1.00 1.00 O ATOM 52 CB LEU A 30 -5.544 -8.781 1.538 1.00 1.00 C ATOM 53 CG LEU A 30 -5.826 -10.227 1.122 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.527 -10.966 0.795 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.646 -10.954 2.189 1.00 1.00 C ATOM 0 H LEU A 30 -7.742 -8.107 0.473 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.821 -8.618 3.204 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.299 -8.208 0.644 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.659 -8.773 2.174 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.425 -10.210 0.212 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.755 -11.991 0.502 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.017 -10.460 -0.024 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.882 -10.975 1.674 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.832 -11.979 1.869 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.094 -10.962 3.129 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.596 -10.440 2.331 1.00 1.00 H new ATOM 67 N PHE A 31 -6.534 -5.727 1.704 1.00 1.00 N ATOM 68 CA PHE A 31 -6.258 -4.318 1.929 1.00 1.00 C ATOM 69 C PHE A 31 -7.319 -3.689 2.834 1.00 1.00 C ATOM 70 O PHE A 31 -7.067 -2.670 3.475 1.00 1.00 O ATOM 71 CB PHE A 31 -6.297 -3.631 0.562 1.00 1.00 C ATOM 72 CG PHE A 31 -6.319 -2.102 0.635 1.00 1.00 C ATOM 73 CD1 PHE A 31 -7.424 -1.459 1.098 1.00 1.00 C ATOM 74 CD2 PHE A 31 -5.233 -1.388 0.236 1.00 1.00 C ATOM 75 CE1 PHE A 31 -7.444 -0.041 1.165 1.00 1.00 C ATOM 76 CE2 PHE A 31 -5.253 0.031 0.303 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.358 0.674 0.766 1.00 1.00 C ATOM 0 H PHE A 31 -6.878 -5.950 0.770 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.290 -4.201 2.415 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.428 -3.945 -0.016 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.180 -3.972 0.020 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -8.286 -2.027 1.415 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -4.356 -1.899 -0.132 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -8.322 0.470 1.533 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -4.391 0.599 -0.014 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.373 1.753 0.817 1.00 1.00 H new ATOM 87 N ALA A 32 -8.482 -4.322 2.856 1.00 1.00 N ATOM 88 CA ALA A 32 -9.583 -3.837 3.672 1.00 1.00 C ATOM 89 C ALA A 32 -9.563 -4.552 5.024 1.00 1.00 C ATOM 90 O ALA A 32 -10.601 -5.003 5.507 1.00 1.00 O ATOM 91 CB ALA A 32 -10.901 -4.040 2.924 1.00 1.00 C ATOM 0 H ALA A 32 -8.687 -5.167 2.322 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.478 -2.769 3.863 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.726 -3.676 3.536 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.875 -3.488 1.985 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.042 -5.101 2.717 1.00 1.00 H new ATOM 97 N THR A 33 -8.372 -4.634 5.598 1.00 1.00 N ATOM 98 CA THR A 33 -8.204 -5.288 6.885 1.00 1.00 C ATOM 99 C THR A 33 -6.795 -5.041 7.428 1.00 1.00 C ATOM 100 O THR A 33 -6.617 -4.819 8.625 1.00 1.00 O ATOM 101 CB THR A 33 -8.536 -6.771 6.709 1.00 1.00 C ATOM 102 OG1 THR A 33 -9.948 -6.834 6.890 1.00 1.00 O ATOM 103 CG2 THR A 33 -7.977 -7.634 7.841 1.00 1.00 C ATOM 0 H THR A 33 -7.513 -4.258 5.195 1.00 1.00 H new ATOM 0 HA THR A 33 -8.883 -4.875 7.631 1.00 1.00 H new ATOM 0 HB THR A 33 -8.140 -7.121 5.756 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.345 -5.966 6.667 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.241 -8.677 7.667 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.892 -7.535 7.873 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.399 -7.306 8.791 1.00 1.00 H new ATOM 111 N HIS A 34 -5.829 -5.089 6.522 1.00 1.00 N ATOM 112 CA HIS A 34 -4.442 -4.873 6.896 1.00 1.00 C ATOM 113 C HIS A 34 -4.014 -3.461 6.490 1.00 1.00 C ATOM 114 O HIS A 34 -2.908 -3.028 6.809 1.00 1.00 O ATOM 115 CB HIS A 34 -3.544 -5.959 6.299 1.00 1.00 C ATOM 116 CG HIS A 34 -3.999 -7.366 6.601 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.693 -8.261 5.839 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -3.748 -7.994 7.808 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -4.855 -9.374 6.543 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.270 -9.210 7.765 1.00 1.00 N flip ATOM 0 H HIS A 34 -5.980 -5.274 5.530 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.337 -4.949 7.978 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.500 -5.826 5.218 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.530 -5.827 6.678 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.030 -8.101 4.890 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.216 -7.565 8.644 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.366 -10.263 6.205 1.00 1.00 H new ATOM 128 N CYS A 35 -4.914 -2.783 5.792 1.00 1.00 N ATOM 129 CA CYS A 35 -4.643 -1.429 5.340 1.00 1.00 C ATOM 130 C CYS A 35 -5.836 -0.549 5.719 1.00 1.00 C ATOM 131 O CYS A 35 -5.660 0.544 6.254 1.00 1.00 O ATOM 132 CB CYS A 35 -4.354 -1.382 3.838 1.00 1.00 C ATOM 133 SG CYS A 35 -3.351 -2.776 3.206 1.00 1.00 S ATOM 0 H CYS A 35 -5.830 -3.146 5.529 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.745 -1.052 5.829 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.302 -1.362 3.300 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.838 -0.449 3.610 1.00 1.00 H new ATOM 138 N ALA A 36 -7.024 -1.058 5.425 1.00 1.00 N ATOM 139 CA ALA A 36 -8.245 -0.332 5.728 1.00 1.00 C ATOM 140 C ALA A 36 -8.085 0.389 7.069 1.00 1.00 C ATOM 141 O ALA A 36 -8.616 1.483 7.256 1.00 1.00 O ATOM 142 CB ALA A 36 -9.429 -1.301 5.725 1.00 1.00 C ATOM 0 H ALA A 36 -7.166 -1.965 4.980 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.441 0.424 4.968 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.345 -0.756 5.952 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.517 -1.765 4.743 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.269 -2.073 6.478 1.00 1.00 H new ATOM 148 N GLY A 37 -7.353 -0.254 7.966 1.00 1.00 N ATOM 149 CA GLY A 37 -7.117 0.312 9.283 1.00 1.00 C ATOM 150 C GLY A 37 -5.970 1.324 9.248 1.00 1.00 C ATOM 151 O GLY A 37 -5.079 1.289 10.095 1.00 1.00 O ATOM 0 H GLY A 37 -6.915 -1.162 7.807 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.024 0.798 9.642 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.882 -0.485 9.988 1.00 1.00 H new ATOM 155 N CYS A 38 -6.029 2.203 8.258 1.00 1.00 N ATOM 156 CA CYS A 38 -5.007 3.223 8.100 1.00 1.00 C ATOM 157 C CYS A 38 -5.194 3.884 6.733 1.00 1.00 C ATOM 158 O CYS A 38 -4.906 5.069 6.568 1.00 1.00 O ATOM 159 CB CYS A 38 -3.600 2.645 8.267 1.00 1.00 C ATOM 160 SG CYS A 38 -2.883 3.190 9.860 1.00 1.00 S ATOM 0 H CYS A 38 -6.769 2.229 7.557 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.115 3.974 8.883 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.639 1.556 8.230 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -2.965 2.970 7.443 1.00 1.00 H new ATOM 165 N HIS A 39 -5.675 3.090 5.788 1.00 1.00 N ATOM 166 CA HIS A 39 -5.904 3.583 4.441 1.00 1.00 C ATOM 167 C HIS A 39 -7.394 3.492 4.108 1.00 1.00 C ATOM 168 O HIS A 39 -7.813 2.814 3.172 1.00 1.00 O ATOM 169 CB HIS A 39 -5.024 2.840 3.434 1.00 1.00 C ATOM 170 CG HIS A 39 -3.563 3.216 3.499 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.107 4.496 3.238 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.463 2.468 3.798 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.789 4.507 3.376 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.392 3.249 3.723 1.00 1.00 N ATOM 0 H HIS A 39 -5.913 2.108 5.929 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.618 4.633 4.380 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.120 1.768 3.605 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.395 3.037 2.428 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.687 5.295 2.983 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.463 1.418 4.053 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.143 5.361 3.238 1.00 1.00 H new ATOM 182 N PRO A 40 -8.195 4.201 4.906 1.00 1.00 N ATOM 183 CA PRO A 40 -9.635 4.262 4.772 1.00 1.00 C ATOM 184 C PRO A 40 -10.000 5.123 3.572 1.00 1.00 C ATOM 185 O PRO A 40 -9.542 6.262 3.496 1.00 1.00 O ATOM 186 CB PRO A 40 -10.123 4.898 6.072 1.00 1.00 C ATOM 187 CG PRO A 40 -8.920 5.907 6.366 1.00 1.00 C ATOM 188 CD PRO A 40 -7.736 5.010 6.015 1.00 1.00 C ATOM 0 HA PRO A 40 -10.088 3.284 4.611 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.076 5.412 5.950 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.255 4.166 6.869 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.964 6.802 5.745 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.898 6.240 7.404 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.862 5.600 5.738 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.446 4.389 6.863 1.00 1.00 H new ATOM 196 N GLN A 41 -10.802 4.576 2.670 1.00 1.00 N ATOM 197 CA GLN A 41 -11.211 5.312 1.486 1.00 1.00 C ATOM 198 C GLN A 41 -9.994 5.946 0.810 1.00 1.00 C ATOM 199 O GLN A 41 -9.955 7.159 0.604 1.00 1.00 O ATOM 200 CB GLN A 41 -12.259 6.371 1.834 1.00 1.00 C ATOM 201 CG GLN A 41 -13.675 5.834 1.615 1.00 1.00 C ATOM 202 CD GLN A 41 -14.722 6.815 2.148 1.00 1.00 C ATOM 203 OE1 GLN A 41 -14.614 8.020 1.996 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.737 6.232 2.778 1.00 1.00 N ATOM 0 H GLN A 41 -11.180 3.631 2.736 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.668 4.613 0.786 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.139 6.678 2.873 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -12.103 7.258 1.219 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.842 5.661 0.552 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.785 4.872 2.116 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.765 5.216 2.870 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -16.488 6.800 3.170 1.00 1.00 H new ATOM 213 N GLY A 42 -9.030 5.099 0.483 1.00 1.00 N ATOM 214 CA GLY A 42 -7.815 5.561 -0.166 1.00 1.00 C ATOM 215 C GLY A 42 -7.264 6.809 0.527 1.00 1.00 C ATOM 216 O GLY A 42 -6.547 7.599 -0.087 1.00 1.00 O ATOM 0 H GLY A 42 -9.065 4.094 0.655 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.065 4.770 -0.148 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.020 5.783 -1.213 1.00 1.00 H new ATOM 220 N GLY A 43 -7.620 6.949 1.795 1.00 1.00 N ATOM 221 CA GLY A 43 -7.171 8.088 2.578 1.00 1.00 C ATOM 222 C GLY A 43 -6.085 7.675 3.573 1.00 1.00 C ATOM 223 O GLY A 43 -5.359 6.709 3.340 1.00 1.00 O ATOM 0 H GLY A 43 -8.215 6.292 2.300 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.785 8.861 1.914 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.015 8.521 3.115 1.00 1.00 H new ATOM 227 N ASN A 44 -6.007 8.427 4.661 1.00 1.00 N ATOM 228 CA ASN A 44 -5.021 8.151 5.692 1.00 1.00 C ATOM 229 C ASN A 44 -5.431 8.858 6.986 1.00 1.00 C ATOM 230 O ASN A 44 -6.099 9.891 6.948 1.00 1.00 O ATOM 231 CB ASN A 44 -3.640 8.670 5.287 1.00 1.00 C ATOM 232 CG ASN A 44 -2.660 7.514 5.076 1.00 1.00 C ATOM 233 OD1 ASN A 44 -2.888 6.390 5.492 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.561 7.852 4.408 1.00 1.00 N ATOM 0 H ASN A 44 -6.610 9.227 4.851 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.973 7.071 5.832 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.722 9.254 4.370 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.258 9.339 6.058 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -0.845 7.151 4.215 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.434 8.812 4.088 1.00 1.00 H new ATOM 241 N THR A 45 -5.015 8.274 8.099 1.00 1.00 N ATOM 242 CA THR A 45 -5.330 8.836 9.402 1.00 1.00 C ATOM 243 C THR A 45 -4.049 9.253 10.128 1.00 1.00 C ATOM 244 O THR A 45 -4.103 9.757 11.248 1.00 1.00 O ATOM 245 CB THR A 45 -6.157 7.805 10.173 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.308 6.663 10.248 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.371 7.315 9.380 1.00 1.00 C ATOM 0 H THR A 45 -4.462 7.417 8.126 1.00 1.00 H new ATOM 0 HA THR A 45 -5.923 9.746 9.307 1.00 1.00 H new ATOM 0 HB THR A 45 -6.490 8.240 11.115 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.766 5.946 10.735 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.923 6.585 9.973 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.020 8.160 9.149 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.036 6.850 8.453 1.00 1.00 H new ATOM 255 N VAL A 46 -2.928 9.027 9.459 1.00 1.00 N ATOM 256 CA VAL A 46 -1.636 9.373 10.026 1.00 1.00 C ATOM 257 C VAL A 46 -1.071 10.591 9.292 1.00 1.00 C ATOM 258 O VAL A 46 -0.755 11.603 9.915 1.00 1.00 O ATOM 259 CB VAL A 46 -0.703 8.161 9.979 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.675 8.508 10.547 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.315 6.969 10.717 1.00 1.00 C ATOM 0 H VAL A 46 -2.888 8.609 8.530 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.740 9.646 11.076 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.574 7.878 8.934 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.319 7.630 10.502 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.118 9.313 9.961 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.571 8.829 11.583 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.632 6.121 10.668 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.488 7.236 11.759 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.262 6.699 10.250 1.00 1.00 H new ATOM 271 N HIS A 47 -0.962 10.452 7.979 1.00 1.00 N ATOM 272 CA HIS A 47 -0.441 11.529 7.154 1.00 1.00 C ATOM 273 C HIS A 47 -1.527 12.007 6.189 1.00 1.00 C ATOM 274 O HIS A 47 -1.953 11.296 5.281 1.00 1.00 O ATOM 275 CB HIS A 47 0.839 11.094 6.438 1.00 1.00 C ATOM 276 CG HIS A 47 2.014 10.873 7.360 1.00 1.00 C ATOM 277 ND1 HIS A 47 2.129 11.029 8.710 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.250 10.442 6.910 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.367 10.709 9.066 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 4.064 10.345 7.951 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.225 9.611 7.466 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.166 12.375 7.784 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.642 10.172 5.891 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.106 11.851 5.701 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.507 10.222 5.884 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.758 10.733 10.072 1.00 1.00 H new ATOM 0 HE2 HIS A 47 5.040 10.050 7.924 1.00 1.00 H new ATOM 288 N PRO A 48 -1.972 13.246 6.409 1.00 1.00 N ATOM 289 CA PRO A 48 -2.993 13.899 5.619 1.00 1.00 C ATOM 290 C PRO A 48 -2.360 14.529 4.386 1.00 1.00 C ATOM 291 O PRO A 48 -3.004 15.359 3.746 1.00 1.00 O ATOM 292 CB PRO A 48 -3.578 14.968 6.540 1.00 1.00 C ATOM 293 CG PRO A 48 -2.323 15.385 7.340 1.00 1.00 C ATOM 294 CD PRO A 48 -1.494 14.109 7.468 1.00 1.00 C ATOM 0 HA PRO A 48 -3.761 13.210 5.266 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.009 15.801 5.984 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.365 14.573 7.183 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -1.767 16.167 6.823 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.593 15.780 8.319 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.430 14.317 7.358 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.629 13.647 8.446 1.00 1.00 H new ATOM 302 N GLU A 49 -1.133 14.133 4.081 1.00 1.00 N ATOM 303 CA GLU A 49 -0.438 14.674 2.925 1.00 1.00 C ATOM 304 C GLU A 49 0.171 13.542 2.095 1.00 1.00 C ATOM 305 O GLU A 49 0.878 13.793 1.120 1.00 1.00 O ATOM 306 CB GLU A 49 0.633 15.680 3.350 1.00 1.00 C ATOM 307 CG GLU A 49 1.656 15.030 4.284 1.00 1.00 C ATOM 308 CD GLU A 49 2.998 15.763 4.222 1.00 1.00 C ATOM 309 OE1 GLU A 49 3.029 16.979 3.980 1.00 1.00 O ATOM 310 OE2 GLU A 49 4.033 15.024 4.438 1.00 1.00 O ATOM 0 H GLU A 49 -0.602 13.444 4.614 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.161 15.204 2.306 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.139 16.073 2.468 1.00 1.00 H new ATOM 0 HB3 GLU A 49 0.164 16.526 3.852 1.00 1.00 H new ATOM 0 HG2 GLU A 49 1.279 15.041 5.307 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.795 13.985 4.006 1.00 1.00 H new ATOM 318 N LYS A 50 -0.124 12.319 2.512 1.00 1.00 N ATOM 319 CA LYS A 50 0.386 11.149 1.820 1.00 1.00 C ATOM 320 C LYS A 50 -0.771 10.190 1.527 1.00 1.00 C ATOM 321 O LYS A 50 -1.054 9.294 2.320 1.00 1.00 O ATOM 322 CB LYS A 50 1.527 10.510 2.615 1.00 1.00 C ATOM 323 CG LYS A 50 2.608 11.542 2.945 1.00 1.00 C ATOM 324 CD LYS A 50 3.881 11.280 2.138 1.00 1.00 C ATOM 325 CE LYS A 50 4.182 12.446 1.195 1.00 1.00 C ATOM 326 NZ LYS A 50 5.393 12.165 0.393 1.00 1.00 N ATOM 0 H LYS A 50 -0.710 12.114 3.321 1.00 1.00 H new ATOM 0 HA LYS A 50 0.817 11.433 0.860 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.136 10.079 3.537 1.00 1.00 H new ATOM 0 HB3 LYS A 50 1.962 9.692 2.041 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.237 12.544 2.730 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.835 11.508 4.011 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.721 11.130 2.816 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.768 10.362 1.562 1.00 1.00 H new ATOM 0 HE2 LYS A 50 3.332 12.615 0.534 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.324 13.360 1.771 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 5.769 13.055 0.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.113 11.717 0.996 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 5.150 11.525 -0.390 1.00 1.00 H new ATOM 339 N THR A 51 -1.407 10.413 0.387 1.00 1.00 N ATOM 340 CA THR A 51 -2.526 9.580 -0.020 1.00 1.00 C ATOM 341 C THR A 51 -2.078 8.557 -1.066 1.00 1.00 C ATOM 342 O THR A 51 -0.886 8.425 -1.339 1.00 1.00 O ATOM 343 CB THR A 51 -3.646 10.500 -0.512 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.098 11.127 -1.668 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.914 11.660 0.449 1.00 1.00 C ATOM 0 H THR A 51 -1.169 11.158 -0.268 1.00 1.00 H new ATOM 0 HA THR A 51 -2.908 8.996 0.817 1.00 1.00 H new ATOM 0 HB THR A 51 -4.559 9.920 -0.646 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.759 11.740 -2.052 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.717 12.282 0.053 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.206 11.266 1.422 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.010 12.259 0.557 1.00 1.00 H new ATOM 353 N LEU A 52 -3.057 7.859 -1.622 1.00 1.00 N ATOM 354 CA LEU A 52 -2.777 6.852 -2.632 1.00 1.00 C ATOM 355 C LEU A 52 -2.985 7.457 -4.021 1.00 1.00 C ATOM 356 O LEU A 52 -3.194 6.733 -4.993 1.00 1.00 O ATOM 357 CB LEU A 52 -3.611 5.594 -2.378 1.00 1.00 C ATOM 358 CG LEU A 52 -3.352 4.874 -1.053 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.241 3.636 -0.920 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.869 4.534 -0.895 1.00 1.00 C ATOM 0 H LEU A 52 -4.045 7.971 -1.393 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.736 6.534 -2.575 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.666 5.866 -2.421 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.430 4.892 -3.192 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.616 5.549 -0.239 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.037 3.142 0.030 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.289 3.935 -0.957 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.031 2.948 -1.739 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.712 4.023 0.055 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.555 3.885 -1.713 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.281 5.452 -0.915 1.00 1.00 H new ATOM 372 N ALA A 53 -2.921 8.780 -4.071 1.00 1.00 N ATOM 373 CA ALA A 53 -3.099 9.491 -5.326 1.00 1.00 C ATOM 374 C ALA A 53 -1.763 9.549 -6.069 1.00 1.00 C ATOM 375 O ALA A 53 -0.723 9.809 -5.465 1.00 1.00 O ATOM 376 CB ALA A 53 -3.671 10.882 -5.047 1.00 1.00 C ATOM 0 H ALA A 53 -2.748 9.378 -3.263 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.809 8.968 -5.966 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.805 11.416 -5.988 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.633 10.786 -4.545 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.983 11.437 -4.409 1.00 1.00 H new ATOM 382 N ARG A 54 -1.834 9.300 -7.368 1.00 1.00 N ATOM 383 CA ARG A 54 -0.643 9.321 -8.200 1.00 1.00 C ATOM 384 C ARG A 54 0.087 10.657 -8.050 1.00 1.00 C ATOM 385 O ARG A 54 1.315 10.694 -7.983 1.00 1.00 O ATOM 386 CB ARG A 54 -0.995 9.103 -9.673 1.00 1.00 C ATOM 387 CG ARG A 54 0.267 9.023 -10.533 1.00 1.00 C ATOM 388 CD ARG A 54 0.016 9.594 -11.930 1.00 1.00 C ATOM 389 NE ARG A 54 -0.054 8.496 -12.921 1.00 1.00 N ATOM 390 CZ ARG A 54 1.027 7.893 -13.459 1.00 1.00 C ATOM 391 NH1 ARG A 54 0.848 6.922 -14.335 1.00 1.00 N ATOM 392 NH2 ARG A 54 2.272 8.276 -13.106 1.00 1.00 N ATOM 0 H ARG A 54 -2.698 9.083 -7.865 1.00 1.00 H new ATOM 0 HA ARG A 54 0.005 8.510 -7.869 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.571 8.184 -9.781 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.627 9.919 -10.024 1.00 1.00 H new ATOM 0 HG2 ARG A 54 1.075 9.573 -10.051 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.591 7.986 -10.613 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.914 10.162 -11.938 1.00 1.00 H new ATOM 0 HD3 ARG A 54 0.814 10.286 -12.198 1.00 1.00 H new ATOM 0 HE ARG A 54 -0.976 8.175 -13.215 1.00 1.00 H new ATOM 0 HH11 ARG A 54 -0.096 6.638 -14.596 1.00 1.00 H new ATOM 0 HH12 ARG A 54 1.654 6.456 -14.751 1.00 1.00 H new ATOM 0 HH21 ARG A 54 2.402 9.027 -12.428 1.00 1.00 H new ATOM 0 HH22 ARG A 54 3.083 7.815 -13.518 1.00 1.00 H new ATOM 402 N ALA A 55 -0.700 11.722 -8.002 1.00 1.00 N ATOM 403 CA ALA A 55 -0.144 13.057 -7.860 1.00 1.00 C ATOM 404 C ALA A 55 0.946 13.040 -6.787 1.00 1.00 C ATOM 405 O ALA A 55 2.063 13.497 -7.024 1.00 1.00 O ATOM 406 CB ALA A 55 -1.266 14.046 -7.537 1.00 1.00 C ATOM 0 H ALA A 55 -1.718 11.688 -8.059 1.00 1.00 H new ATOM 0 HA ALA A 55 0.318 13.381 -8.793 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.849 15.047 -7.430 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.998 14.042 -8.344 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.751 13.754 -6.606 1.00 1.00 H new ATOM 412 N ARG A 56 0.583 12.510 -5.628 1.00 1.00 N ATOM 413 CA ARG A 56 1.516 12.427 -4.518 1.00 1.00 C ATOM 414 C ARG A 56 2.426 11.208 -4.678 1.00 1.00 C ATOM 415 O ARG A 56 3.606 11.261 -4.336 1.00 1.00 O ATOM 416 CB ARG A 56 0.775 12.331 -3.182 1.00 1.00 C ATOM 417 CG ARG A 56 0.791 13.673 -2.448 1.00 1.00 C ATOM 418 CD ARG A 56 -0.239 14.636 -3.043 1.00 1.00 C ATOM 419 NE ARG A 56 -0.579 15.686 -2.058 1.00 1.00 N ATOM 420 CZ ARG A 56 -1.261 15.459 -0.915 1.00 1.00 C ATOM 421 NH1 ARG A 56 -1.510 16.472 -0.106 1.00 1.00 N ATOM 422 NH2 ARG A 56 -1.681 14.214 -0.604 1.00 1.00 N ATOM 0 H ARG A 56 -0.345 12.134 -5.434 1.00 1.00 H new ATOM 0 HA ARG A 56 2.118 13.336 -4.522 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.255 12.020 -3.355 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.239 11.566 -2.559 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.579 13.516 -1.391 1.00 1.00 H new ATOM 0 HG3 ARG A 56 1.786 14.114 -2.511 1.00 1.00 H new ATOM 0 HD2 ARG A 56 0.159 15.092 -3.950 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -1.138 14.089 -3.329 1.00 1.00 H new ATOM 0 HE ARG A 56 -0.280 16.641 -2.255 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -1.188 17.409 -0.348 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -2.024 16.318 0.761 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -1.484 13.437 -1.234 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -2.196 14.051 0.261 1.00 1.00 H new ATOM 432 N ARG A 57 1.842 10.138 -5.197 1.00 1.00 N ATOM 433 CA ARG A 57 2.585 8.907 -5.406 1.00 1.00 C ATOM 434 C ARG A 57 3.712 9.133 -6.417 1.00 1.00 C ATOM 435 O ARG A 57 4.626 8.318 -6.525 1.00 1.00 O ATOM 436 CB ARG A 57 1.671 7.791 -5.914 1.00 1.00 C ATOM 437 CG ARG A 57 1.659 6.608 -4.944 1.00 1.00 C ATOM 438 CD ARG A 57 0.259 6.383 -4.369 1.00 1.00 C ATOM 439 NE ARG A 57 -0.318 5.135 -4.915 1.00 1.00 N ATOM 440 CZ ARG A 57 -1.018 5.065 -6.068 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.488 3.897 -6.462 1.00 1.00 N ATOM 442 NH2 ARG A 57 -1.233 6.175 -6.807 1.00 1.00 N ATOM 0 H ARG A 57 0.863 10.098 -5.479 1.00 1.00 H new ATOM 0 HA ARG A 57 3.006 8.607 -4.446 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.658 8.174 -6.039 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.009 7.458 -6.895 1.00 1.00 H new ATOM 0 HG2 ARG A 57 1.993 5.708 -5.459 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.364 6.791 -4.133 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.309 6.325 -3.282 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -0.384 7.228 -4.614 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.178 4.273 -4.388 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -1.321 3.064 -5.898 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -2.019 3.827 -7.330 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -0.866 7.074 -6.495 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -1.763 6.114 -7.677 1.00 1.00 H new ATOM 452 N GLU A 58 3.609 10.244 -7.131 1.00 1.00 N ATOM 453 CA GLU A 58 4.608 10.588 -8.129 1.00 1.00 C ATOM 454 C GLU A 58 5.827 11.227 -7.462 1.00 1.00 C ATOM 455 O GLU A 58 6.964 10.866 -7.762 1.00 1.00 O ATOM 456 CB GLU A 58 4.020 11.512 -9.198 1.00 1.00 C ATOM 457 CG GLU A 58 4.398 12.970 -8.930 1.00 1.00 C ATOM 458 CD GLU A 58 3.797 13.895 -9.990 1.00 1.00 C ATOM 459 OE1 GLU A 58 4.331 13.990 -11.105 1.00 1.00 O ATOM 460 OE2 GLU A 58 2.736 14.530 -9.622 1.00 1.00 O ATOM 0 H GLU A 58 2.849 10.918 -7.038 1.00 1.00 H new ATOM 0 HA GLU A 58 4.929 9.672 -8.624 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.383 11.213 -10.182 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.935 11.411 -9.214 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.045 13.265 -7.942 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.483 13.073 -8.925 1.00 1.00 H new ATOM 468 N ALA A 59 5.548 12.166 -6.569 1.00 1.00 N ATOM 469 CA ALA A 59 6.608 12.859 -5.857 1.00 1.00 C ATOM 470 C ALA A 59 7.578 11.832 -5.269 1.00 1.00 C ATOM 471 O ALA A 59 8.781 11.896 -5.516 1.00 1.00 O ATOM 472 CB ALA A 59 5.997 13.764 -4.785 1.00 1.00 C ATOM 0 H ALA A 59 4.604 12.463 -6.323 1.00 1.00 H new ATOM 0 HA ALA A 59 7.174 13.496 -6.537 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.793 14.284 -4.251 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.339 14.494 -5.257 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.423 13.160 -4.082 1.00 1.00 H new ATOM 478 N ASN A 60 7.018 10.908 -4.502 1.00 1.00 N ATOM 479 CA ASN A 60 7.818 9.869 -3.876 1.00 1.00 C ATOM 480 C ASN A 60 8.162 8.800 -4.917 1.00 1.00 C ATOM 481 O ASN A 60 9.224 8.185 -4.851 1.00 1.00 O ATOM 482 CB ASN A 60 7.050 9.192 -2.739 1.00 1.00 C ATOM 483 CG ASN A 60 7.086 10.044 -1.470 1.00 1.00 C ATOM 484 OD1 ASN A 60 7.085 11.355 -1.698 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.112 9.546 -0.356 1.00 1.00 N flip ATOM 0 H ASN A 60 6.020 10.857 -4.300 1.00 1.00 H new ATOM 0 HA ASN A 60 8.720 10.333 -3.476 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.016 9.027 -3.041 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.483 8.212 -2.536 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.111 8.531 -0.251 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.135 10.144 0.470 1.00 1.00 H new ATOM 492 N GLY A 61 7.242 8.613 -5.852 1.00 1.00 N ATOM 493 CA GLY A 61 7.434 7.630 -6.904 1.00 1.00 C ATOM 494 C GLY A 61 6.977 6.243 -6.449 1.00 1.00 C ATOM 495 O GLY A 61 7.793 5.425 -6.025 1.00 1.00 O ATOM 0 H GLY A 61 6.362 9.126 -5.903 1.00 1.00 H new ATOM 0 HA2 GLY A 61 6.875 7.928 -7.791 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.486 7.595 -7.187 1.00 1.00 H new ATOM 499 N ILE A 62 5.676 6.020 -6.552 1.00 1.00 N ATOM 500 CA ILE A 62 5.101 4.746 -6.157 1.00 1.00 C ATOM 501 C ILE A 62 4.004 4.355 -7.150 1.00 1.00 C ATOM 502 O ILE A 62 2.850 4.176 -6.766 1.00 1.00 O ATOM 503 CB ILE A 62 4.623 4.802 -4.704 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.726 5.329 -3.784 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.098 3.439 -4.247 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.456 4.944 -2.328 1.00 1.00 C ATOM 0 H ILE A 62 5.003 6.701 -6.904 1.00 1.00 H new ATOM 0 HA ILE A 62 5.856 3.961 -6.191 1.00 1.00 H new ATOM 0 HB ILE A 62 3.791 5.504 -4.645 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.689 4.927 -4.098 1.00 1.00 H new ATOM 0 HG13 ILE A 62 5.790 6.414 -3.871 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.765 3.506 -3.211 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.261 3.141 -4.879 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.894 2.698 -4.325 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.255 5.331 -1.695 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.504 5.368 -2.010 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.417 3.858 -2.240 1.00 1.00 H new ATOM 518 N ARG A 63 4.405 4.235 -8.407 1.00 1.00 N ATOM 519 CA ARG A 63 3.471 3.869 -9.458 1.00 1.00 C ATOM 520 C ARG A 63 3.832 2.498 -10.035 1.00 1.00 C ATOM 521 O ARG A 63 4.086 2.372 -11.232 1.00 1.00 O ATOM 522 CB ARG A 63 3.475 4.905 -10.584 1.00 1.00 C ATOM 523 CG ARG A 63 3.709 6.313 -10.032 1.00 1.00 C ATOM 524 CD ARG A 63 5.081 6.845 -10.450 1.00 1.00 C ATOM 525 NE ARG A 63 6.111 6.405 -9.482 1.00 1.00 N ATOM 526 CZ ARG A 63 7.417 6.251 -9.785 1.00 1.00 C ATOM 527 NH1 ARG A 63 8.250 5.852 -8.841 1.00 1.00 N ATOM 528 NH2 ARG A 63 7.866 6.501 -11.033 1.00 1.00 N ATOM 0 H ARG A 63 5.364 4.385 -8.721 1.00 1.00 H new ATOM 0 HA ARG A 63 2.475 3.831 -9.018 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.254 4.660 -11.306 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.524 4.872 -11.117 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.929 6.983 -10.394 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.637 6.298 -8.944 1.00 1.00 H new ATOM 0 HD2 ARG A 63 5.331 6.485 -11.448 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.058 7.934 -10.500 1.00 1.00 H new ATOM 0 HE ARG A 63 5.815 6.206 -8.526 1.00 1.00 H new ATOM 0 HH11 ARG A 63 7.903 5.665 -7.900 1.00 1.00 H new ATOM 0 HH12 ARG A 63 9.240 5.730 -9.053 1.00 1.00 H new ATOM 0 HH21 ARG A 63 7.216 6.809 -11.757 1.00 1.00 H new ATOM 0 HH22 ARG A 63 8.855 6.382 -11.253 1.00 1.00 H new ATOM 538 N THR A 64 3.843 1.507 -9.157 1.00 1.00 N ATOM 539 CA THR A 64 4.169 0.150 -9.564 1.00 1.00 C ATOM 540 C THR A 64 3.552 -0.860 -8.594 1.00 1.00 C ATOM 541 O THR A 64 3.447 -0.594 -7.398 1.00 1.00 O ATOM 542 CB THR A 64 5.691 0.041 -9.669 1.00 1.00 C ATOM 543 OG1 THR A 64 6.159 0.473 -8.395 1.00 1.00 O ATOM 544 CG2 THR A 64 6.285 1.055 -10.648 1.00 1.00 C ATOM 0 H THR A 64 3.632 1.616 -8.165 1.00 1.00 H new ATOM 0 HA THR A 64 3.744 -0.084 -10.540 1.00 1.00 H new ATOM 0 HB THR A 64 5.961 -0.967 -9.983 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.959 -0.037 -8.150 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.368 0.934 -10.684 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.868 0.889 -11.641 1.00 1.00 H new ATOM 0 HG23 THR A 64 6.043 2.065 -10.317 1.00 1.00 H new ATOM 552 N VAL A 65 3.160 -1.999 -9.147 1.00 1.00 N ATOM 553 CA VAL A 65 2.557 -3.050 -8.346 1.00 1.00 C ATOM 554 C VAL A 65 3.580 -3.563 -7.330 1.00 1.00 C ATOM 555 O VAL A 65 3.302 -3.611 -6.133 1.00 1.00 O ATOM 556 CB VAL A 65 2.013 -4.154 -9.255 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.793 -5.450 -8.473 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.725 -3.707 -9.950 1.00 1.00 C ATOM 0 H VAL A 65 3.248 -2.216 -10.140 1.00 1.00 H new ATOM 0 HA VAL A 65 1.708 -2.661 -7.784 1.00 1.00 H new ATOM 0 HB VAL A 65 2.758 -4.351 -10.026 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.406 -6.218 -9.143 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.739 -5.783 -8.047 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.076 -5.274 -7.671 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.359 -4.510 -10.590 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -0.029 -3.469 -9.200 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.926 -2.823 -10.556 1.00 1.00 H new ATOM 568 N ARG A 66 4.743 -3.933 -7.846 1.00 1.00 N ATOM 569 CA ARG A 66 5.810 -4.440 -6.999 1.00 1.00 C ATOM 570 C ARG A 66 5.977 -3.550 -5.765 1.00 1.00 C ATOM 571 O ARG A 66 5.738 -3.990 -4.642 1.00 1.00 O ATOM 572 CB ARG A 66 7.136 -4.499 -7.759 1.00 1.00 C ATOM 573 CG ARG A 66 7.237 -5.783 -8.585 1.00 1.00 C ATOM 574 CD ARG A 66 8.311 -6.716 -8.021 1.00 1.00 C ATOM 575 NE ARG A 66 9.332 -6.996 -9.054 1.00 1.00 N ATOM 576 CZ ARG A 66 10.123 -6.056 -9.612 1.00 1.00 C ATOM 577 NH1 ARG A 66 11.002 -6.419 -10.527 1.00 1.00 N ATOM 578 NH2 ARG A 66 10.017 -4.762 -9.239 1.00 1.00 N ATOM 0 H ARG A 66 4.970 -3.892 -8.840 1.00 1.00 H new ATOM 0 HA ARG A 66 5.536 -5.449 -6.690 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.222 -3.633 -8.415 1.00 1.00 H new ATOM 0 HB3 ARG A 66 7.966 -4.449 -7.054 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.274 -6.293 -8.590 1.00 1.00 H new ATOM 0 HG3 ARG A 66 7.472 -5.536 -9.620 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.780 -6.259 -7.149 1.00 1.00 H new ATOM 0 HD3 ARG A 66 7.855 -7.648 -7.686 1.00 1.00 H new ATOM 0 HE ARG A 66 9.445 -7.961 -9.364 1.00 1.00 H new ATOM 0 HH11 ARG A 66 11.076 -7.398 -10.803 1.00 1.00 H new ATOM 0 HH12 ARG A 66 11.607 -5.720 -10.958 1.00 1.00 H new ATOM 0 HH21 ARG A 66 9.335 -4.490 -8.531 1.00 1.00 H new ATOM 0 HH22 ARG A 66 10.619 -4.057 -9.666 1.00 1.00 H new ATOM 588 N ASP A 67 6.385 -2.315 -6.017 1.00 1.00 N ATOM 589 CA ASP A 67 6.586 -1.359 -4.941 1.00 1.00 C ATOM 590 C ASP A 67 5.526 -1.584 -3.861 1.00 1.00 C ATOM 591 O ASP A 67 5.803 -1.424 -2.672 1.00 1.00 O ATOM 592 CB ASP A 67 6.448 0.078 -5.448 1.00 1.00 C ATOM 593 CG ASP A 67 7.703 0.655 -6.105 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.054 1.825 -5.892 1.00 1.00 O ATOM 595 OD2 ASP A 67 8.340 -0.161 -6.875 1.00 1.00 O ATOM 0 H ASP A 67 6.582 -1.954 -6.951 1.00 1.00 H new ATOM 0 HA ASP A 67 7.590 -1.505 -4.542 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.629 0.117 -6.167 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.168 0.717 -4.611 1.00 1.00 H new ATOM 601 N VAL A 68 4.336 -1.951 -4.311 1.00 1.00 N ATOM 602 CA VAL A 68 3.233 -2.199 -3.398 1.00 1.00 C ATOM 603 C VAL A 68 3.230 -3.676 -2.999 1.00 1.00 C ATOM 604 O VAL A 68 2.207 -4.350 -3.111 1.00 1.00 O ATOM 605 CB VAL A 68 1.916 -1.747 -4.032 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.734 -2.036 -3.105 1.00 1.00 C ATOM 607 CG2 VAL A 68 1.969 -0.265 -4.409 1.00 1.00 C ATOM 0 H VAL A 68 4.111 -2.083 -5.297 1.00 1.00 H new ATOM 0 HA VAL A 68 3.354 -1.616 -2.485 1.00 1.00 H new ATOM 0 HB VAL A 68 1.771 -2.320 -4.948 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.190 -1.705 -3.579 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.678 -3.107 -2.910 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.870 -1.502 -2.164 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.021 0.030 -4.858 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.149 0.332 -3.515 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.775 -0.100 -5.124 1.00 1.00 H new ATOM 617 N ALA A 69 4.385 -4.135 -2.542 1.00 1.00 N ATOM 618 CA ALA A 69 4.528 -5.520 -2.126 1.00 1.00 C ATOM 619 C ALA A 69 5.874 -5.700 -1.421 1.00 1.00 C ATOM 620 O ALA A 69 5.958 -6.385 -0.402 1.00 1.00 O ATOM 621 CB ALA A 69 4.380 -6.437 -3.343 1.00 1.00 C ATOM 0 H ALA A 69 5.231 -3.573 -2.450 1.00 1.00 H new ATOM 0 HA ALA A 69 3.746 -5.790 -1.417 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.487 -7.476 -3.031 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.397 -6.292 -3.790 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.151 -6.197 -4.075 1.00 1.00 H new ATOM 627 N ALA A 70 6.893 -5.074 -1.991 1.00 1.00 N ATOM 628 CA ALA A 70 8.230 -5.157 -1.429 1.00 1.00 C ATOM 629 C ALA A 70 8.331 -4.221 -0.223 1.00 1.00 C ATOM 630 O ALA A 70 8.497 -4.643 0.919 1.00 1.00 O ATOM 631 CB ALA A 70 9.260 -4.826 -2.511 1.00 1.00 C ATOM 0 H ALA A 70 6.820 -4.507 -2.836 1.00 1.00 H new ATOM 0 HA ALA A 70 8.437 -6.169 -1.080 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.263 -4.888 -2.089 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.167 -5.537 -3.332 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.085 -3.817 -2.883 1.00 1.00 H new ATOM 637 N TYR A 71 8.225 -2.921 -0.507 1.00 1.00 N ATOM 638 CA TYR A 71 8.301 -1.906 0.525 1.00 1.00 C ATOM 639 C TYR A 71 7.462 -2.325 1.724 1.00 1.00 C ATOM 640 O TYR A 71 7.991 -2.366 2.834 1.00 1.00 O ATOM 641 CB TYR A 71 7.814 -0.574 -0.038 1.00 1.00 C ATOM 642 CG TYR A 71 8.929 0.403 -0.326 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.773 1.757 -0.008 1.00 1.00 C ATOM 644 CD2 TYR A 71 10.118 -0.046 -0.912 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.807 2.662 -0.275 1.00 1.00 C ATOM 646 CE2 TYR A 71 11.153 0.859 -1.178 1.00 1.00 C ATOM 647 CZ TYR A 71 10.997 2.214 -0.860 1.00 1.00 C ATOM 648 OH TYR A 71 12.004 3.096 -1.120 1.00 1.00 O ATOM 0 H TYR A 71 8.086 -2.554 -1.448 1.00 1.00 H new ATOM 0 HA TYR A 71 9.334 -1.791 0.853 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.257 -0.759 -0.957 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.119 -0.122 0.670 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.855 2.104 0.443 1.00 1.00 H new ATOM 0 HD2 TYR A 71 10.237 -1.091 -1.159 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.686 3.707 -0.029 1.00 1.00 H new ATOM 0 HE2 TYR A 71 12.071 0.512 -1.628 1.00 1.00 H new ATOM 0 HH TYR A 71 12.759 2.620 -1.525 1.00 1.00 H new ATOM 658 N ILE A 72 6.193 -2.622 1.485 1.00 1.00 N ATOM 659 CA ILE A 72 5.306 -3.033 2.560 1.00 1.00 C ATOM 660 C ILE A 72 6.059 -3.970 3.507 1.00 1.00 C ATOM 661 O ILE A 72 5.853 -3.929 4.719 1.00 1.00 O ATOM 662 CB ILE A 72 4.020 -3.637 1.992 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.328 -4.834 1.089 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.187 -2.575 1.271 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.235 -5.898 1.197 1.00 1.00 C ATOM 0 H ILE A 72 5.758 -2.586 0.563 1.00 1.00 H new ATOM 0 HA ILE A 72 4.993 -2.169 3.147 1.00 1.00 H new ATOM 0 HB ILE A 72 3.420 -4.007 2.824 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.415 -4.501 0.055 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.289 -5.266 1.367 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.279 -3.031 0.877 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.921 -1.783 1.972 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.767 -2.153 0.450 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.479 -6.737 0.545 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.167 -6.246 2.228 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.279 -5.470 0.895 1.00 1.00 H new ATOM 677 N ARG A 73 6.917 -4.791 2.918 1.00 1.00 N ATOM 678 CA ARG A 73 7.701 -5.735 3.694 1.00 1.00 C ATOM 679 C ARG A 73 8.546 -4.996 4.734 1.00 1.00 C ATOM 680 O ARG A 73 8.367 -5.190 5.936 1.00 1.00 O ATOM 681 CB ARG A 73 8.622 -6.559 2.792 1.00 1.00 C ATOM 682 CG ARG A 73 9.149 -7.793 3.526 1.00 1.00 C ATOM 683 CD ARG A 73 8.946 -9.058 2.690 1.00 1.00 C ATOM 684 NE ARG A 73 9.953 -10.077 3.060 1.00 1.00 N ATOM 685 CZ ARG A 73 10.377 -11.057 2.234 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.281 -11.914 2.669 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.885 -11.158 0.981 1.00 1.00 N ATOM 0 H ARG A 73 7.086 -4.821 1.913 1.00 1.00 H new ATOM 0 HA ARG A 73 7.006 -6.408 4.197 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.080 -6.867 1.898 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.459 -5.943 2.461 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.209 -7.665 3.746 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.636 -7.898 4.482 1.00 1.00 H new ATOM 0 HD2 ARG A 73 7.942 -9.452 2.850 1.00 1.00 H new ATOM 0 HD3 ARG A 73 9.030 -8.820 1.630 1.00 1.00 H new ATOM 0 HE ARG A 73 10.352 -10.036 3.998 1.00 1.00 H new ATOM 0 HH11 ARG A 73 11.649 -11.830 3.617 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.612 -12.660 2.058 1.00 1.00 H new ATOM 0 HH21 ARG A 73 9.187 -10.491 0.652 1.00 1.00 H new ATOM 0 HH22 ARG A 73 10.211 -11.902 0.364 1.00 1.00 H new ATOM 697 N ASN A 74 9.447 -4.164 4.234 1.00 1.00 N ATOM 698 CA ASN A 74 10.320 -3.395 5.105 1.00 1.00 C ATOM 699 C ASN A 74 10.246 -1.916 4.717 1.00 1.00 C ATOM 700 O ASN A 74 11.162 -1.350 4.126 1.00 1.00 O ATOM 701 CB ASN A 74 11.775 -3.847 4.966 1.00 1.00 C ATOM 702 CG ASN A 74 12.577 -3.508 6.224 1.00 1.00 C ATOM 703 OD1 ASN A 74 12.711 -2.203 6.445 1.00 1.00 O flip ATOM 704 ND2 ASN A 74 13.043 -4.374 6.946 1.00 1.00 N flip ATOM 0 H ASN A 74 9.592 -4.005 3.237 1.00 1.00 H new ATOM 0 HA ASN A 74 9.991 -3.549 6.133 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.810 -4.922 4.787 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.228 -3.364 4.100 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.903 -5.358 6.718 1.00 1.00 H new ATOM 0 HD22 ASN A 74 13.573 -4.114 7.778 1.00 1.00 H new ATOM 711 N PRO A 75 9.116 -1.297 5.068 1.00 1.00 N ATOM 712 CA PRO A 75 8.834 0.097 4.803 1.00 1.00 C ATOM 713 C PRO A 75 9.502 0.963 5.862 1.00 1.00 C ATOM 714 O PRO A 75 10.081 0.415 6.799 1.00 1.00 O ATOM 715 CB PRO A 75 7.314 0.211 4.882 1.00 1.00 C ATOM 716 CG PRO A 75 6.919 -0.874 5.816 1.00 1.00 C ATOM 717 CD PRO A 75 8.018 -1.933 5.763 1.00 1.00 C ATOM 0 HA PRO A 75 9.210 0.430 3.836 1.00 1.00 H new ATOM 0 HB2 PRO A 75 7.006 1.189 5.253 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.853 0.082 3.903 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.804 -0.488 6.829 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.958 -1.301 5.527 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.313 -2.246 6.764 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.681 -2.826 5.236 1.00 1.00 H new ATOM 725 N GLY A 76 9.414 2.275 5.698 1.00 1.00 N ATOM 726 CA GLY A 76 10.019 3.191 6.651 1.00 1.00 C ATOM 727 C GLY A 76 9.046 3.524 7.784 1.00 1.00 C ATOM 728 O GLY A 76 7.942 2.992 7.873 1.00 1.00 O ATOM 0 H GLY A 76 8.933 2.726 4.920 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.925 2.747 7.063 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.317 4.107 6.141 1.00 1.00 H new ATOM 732 N PRO A 77 9.488 4.430 8.659 1.00 1.00 N ATOM 733 CA PRO A 77 8.735 4.894 9.804 1.00 1.00 C ATOM 734 C PRO A 77 7.379 5.414 9.346 1.00 1.00 C ATOM 735 O PRO A 77 7.257 5.818 8.191 1.00 1.00 O ATOM 736 CB PRO A 77 9.579 6.019 10.399 1.00 1.00 C ATOM 737 CG PRO A 77 10.957 5.765 9.934 1.00 1.00 C ATOM 738 CD PRO A 77 10.781 5.075 8.583 1.00 1.00 C ATOM 0 HA PRO A 77 8.545 4.107 10.534 1.00 1.00 H new ATOM 0 HB2 PRO A 77 9.225 6.994 10.065 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.525 6.017 11.488 1.00 1.00 H new ATOM 0 HG2 PRO A 77 11.521 6.693 9.836 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.503 5.133 10.635 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.816 5.794 7.765 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.574 4.349 8.404 1.00 1.00 H new ATOM 746 N GLY A 78 6.402 5.393 10.241 1.00 1.00 N ATOM 747 CA GLY A 78 5.070 5.865 9.905 1.00 1.00 C ATOM 748 C GLY A 78 4.166 4.703 9.488 1.00 1.00 C ATOM 749 O GLY A 78 2.969 4.711 9.771 1.00 1.00 O ATOM 0 H GLY A 78 6.507 5.056 11.198 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.635 6.379 10.762 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.131 6.592 9.095 1.00 1.00 H new ATOM 753 N MET A 79 4.773 3.733 8.821 1.00 1.00 N ATOM 754 CA MET A 79 4.038 2.566 8.362 1.00 1.00 C ATOM 755 C MET A 79 4.636 1.280 8.936 1.00 1.00 C ATOM 756 O MET A 79 5.838 1.032 8.867 1.00 1.00 O ATOM 757 CB MET A 79 4.074 2.509 6.834 1.00 1.00 C ATOM 758 CG MET A 79 2.848 1.778 6.283 1.00 1.00 C ATOM 759 SD MET A 79 2.621 2.180 4.559 1.00 1.00 S ATOM 760 CE MET A 79 3.141 0.644 3.812 1.00 1.00 C ATOM 0 H MET A 79 5.766 3.731 8.587 1.00 1.00 H new ATOM 0 HA MET A 79 3.007 2.650 8.707 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.111 3.521 6.430 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.982 2.002 6.507 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.973 0.702 6.400 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.961 2.060 6.850 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.062 0.722 2.728 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.176 0.438 4.086 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.504 -0.167 4.165 1.00 1.00 H new ATOM 770 N PRO A 80 3.757 0.457 9.511 1.00 1.00 N ATOM 771 CA PRO A 80 4.102 -0.812 10.115 1.00 1.00 C ATOM 772 C PRO A 80 4.862 -1.666 9.110 1.00 1.00 C ATOM 773 O PRO A 80 5.604 -1.112 8.301 1.00 1.00 O ATOM 774 CB PRO A 80 2.763 -1.452 10.475 1.00 1.00 C ATOM 775 CG PRO A 80 1.806 -0.347 10.567 1.00 1.00 C ATOM 776 CD PRO A 80 2.337 0.717 9.608 1.00 1.00 C ATOM 0 HA PRO A 80 4.742 -0.705 10.990 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.457 -2.172 9.716 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.829 -1.992 11.419 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.804 -0.668 10.284 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.742 0.036 11.585 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.855 0.646 8.633 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.144 1.721 9.986 1.00 1.00 H new ATOM 784 N ALA A 81 4.670 -2.975 9.178 1.00 1.00 N ATOM 785 CA ALA A 81 5.349 -3.880 8.266 1.00 1.00 C ATOM 786 C ALA A 81 4.526 -5.161 8.117 1.00 1.00 C ATOM 787 O ALA A 81 3.684 -5.463 8.961 1.00 1.00 O ATOM 788 CB ALA A 81 6.765 -4.153 8.777 1.00 1.00 C ATOM 0 H ALA A 81 4.054 -3.431 9.851 1.00 1.00 H new ATOM 0 HA ALA A 81 5.440 -3.430 7.277 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.274 -4.832 8.093 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.318 -3.215 8.836 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.713 -4.607 9.767 1.00 1.00 H new ATOM 794 N PHE A 82 4.798 -5.879 7.038 1.00 1.00 N ATOM 795 CA PHE A 82 4.093 -7.120 6.768 1.00 1.00 C ATOM 796 C PHE A 82 5.043 -8.181 6.209 1.00 1.00 C ATOM 797 O PHE A 82 5.394 -8.146 5.030 1.00 1.00 O ATOM 798 CB PHE A 82 3.023 -6.808 5.719 1.00 1.00 C ATOM 799 CG PHE A 82 2.031 -5.725 6.146 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.279 -4.421 5.850 1.00 1.00 C ATOM 801 CD2 PHE A 82 0.900 -6.066 6.822 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.358 -3.415 6.246 1.00 1.00 C ATOM 803 CE2 PHE A 82 -0.021 -5.060 7.218 1.00 1.00 C ATOM 804 CZ PHE A 82 0.228 -3.756 6.922 1.00 1.00 C ATOM 0 H PHE A 82 5.497 -5.625 6.340 1.00 1.00 H new ATOM 0 HA PHE A 82 3.659 -7.509 7.689 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.513 -6.495 4.797 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.473 -7.722 5.493 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.177 -4.150 5.314 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.703 -7.101 7.057 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.555 -2.380 6.010 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.919 -5.330 7.754 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.472 -2.991 7.224 1.00 1.00 H new ATOM 814 N GLY A 83 5.434 -9.098 7.081 1.00 1.00 N ATOM 815 CA GLY A 83 6.337 -10.167 6.690 1.00 1.00 C ATOM 816 C GLY A 83 5.577 -11.306 6.008 1.00 1.00 C ATOM 817 O GLY A 83 4.372 -11.203 5.779 1.00 1.00 O ATOM 0 H GLY A 83 5.142 -9.123 8.058 1.00 1.00 H new ATOM 0 HA2 GLY A 83 7.097 -9.776 6.014 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.858 -10.548 7.569 1.00 1.00 H new ATOM 821 N GLU A 84 6.311 -12.365 5.701 1.00 1.00 N ATOM 822 CA GLU A 84 5.721 -13.522 5.049 1.00 1.00 C ATOM 823 C GLU A 84 5.053 -14.430 6.084 1.00 1.00 C ATOM 824 O GLU A 84 4.628 -15.538 5.760 1.00 1.00 O ATOM 825 CB GLU A 84 6.769 -14.290 4.241 1.00 1.00 C ATOM 826 CG GLU A 84 7.827 -14.905 5.159 1.00 1.00 C ATOM 827 CD GLU A 84 8.552 -16.059 4.463 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.589 -15.841 3.819 1.00 1.00 O ATOM 829 OE2 GLU A 84 8.002 -17.216 4.610 1.00 1.00 O ATOM 0 H GLU A 84 7.310 -12.446 5.892 1.00 1.00 H new ATOM 0 HA GLU A 84 4.958 -13.173 4.353 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.283 -15.076 3.663 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.247 -13.619 3.528 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.548 -14.142 5.452 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.355 -15.265 6.073 1.00 1.00 H new ATOM 837 N ALA A 85 4.981 -13.927 7.307 1.00 1.00 N ATOM 838 CA ALA A 85 4.372 -14.679 8.391 1.00 1.00 C ATOM 839 C ALA A 85 2.854 -14.705 8.198 1.00 1.00 C ATOM 840 O ALA A 85 2.222 -15.748 8.355 1.00 1.00 O ATOM 841 CB ALA A 85 4.779 -14.064 9.731 1.00 1.00 C ATOM 0 H ALA A 85 5.334 -13.008 7.572 1.00 1.00 H new ATOM 0 HA ALA A 85 4.723 -15.711 8.386 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.322 -14.628 10.544 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.864 -14.096 9.832 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.441 -13.028 9.774 1.00 1.00 H new ATOM 847 N MET A 86 2.313 -13.543 7.861 1.00 1.00 N ATOM 848 CA MET A 86 0.882 -13.419 7.645 1.00 1.00 C ATOM 849 C MET A 86 0.552 -13.396 6.151 1.00 1.00 C ATOM 850 O MET A 86 -0.237 -14.210 5.673 1.00 1.00 O ATOM 851 CB MET A 86 0.376 -12.132 8.300 1.00 1.00 C ATOM 852 CG MET A 86 -1.024 -12.327 8.884 1.00 1.00 C ATOM 853 SD MET A 86 -0.987 -13.581 10.154 1.00 1.00 S ATOM 854 CE MET A 86 -1.059 -12.550 11.609 1.00 1.00 C ATOM 0 H MET A 86 2.840 -12.679 7.732 1.00 1.00 H new ATOM 0 HA MET A 86 0.390 -14.283 8.093 1.00 1.00 H new ATOM 0 HB2 MET A 86 1.064 -11.827 9.089 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.358 -11.328 7.564 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.388 -11.387 9.300 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.719 -12.617 8.096 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.045 -13.177 12.500 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.199 -11.880 11.623 1.00 1.00 H new ATOM 0 HE3 MET A 86 -1.977 -11.962 11.593 1.00 1.00 H new ATOM 864 N ILE A 87 1.173 -12.455 5.455 1.00 1.00 N ATOM 865 CA ILE A 87 0.956 -12.315 4.025 1.00 1.00 C ATOM 866 C ILE A 87 2.278 -12.538 3.289 1.00 1.00 C ATOM 867 O ILE A 87 3.251 -11.806 3.457 1.00 1.00 O ATOM 868 CB ILE A 87 0.297 -10.970 3.713 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.928 -10.740 4.600 1.00 1.00 C ATOM 870 CG2 ILE A 87 -0.043 -10.859 2.225 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.906 -9.764 3.942 1.00 1.00 C ATOM 0 H ILE A 87 1.827 -11.782 5.855 1.00 1.00 H new ATOM 0 HA ILE A 87 0.261 -13.075 3.668 1.00 1.00 H new ATOM 0 HB ILE A 87 1.011 -10.179 3.940 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.428 -11.690 4.789 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.613 -10.348 5.567 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.510 -9.894 2.030 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.870 -10.946 1.636 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.731 -11.658 1.948 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.768 -9.618 4.593 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.410 -8.808 3.777 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.238 -10.170 2.987 1.00 1.00 H new ATOM 883 N PRO A 88 2.291 -13.582 2.456 1.00 1.00 N ATOM 884 CA PRO A 88 3.433 -13.975 1.659 1.00 1.00 C ATOM 885 C PRO A 88 3.635 -12.976 0.529 1.00 1.00 C ATOM 886 O PRO A 88 2.670 -12.524 -0.083 1.00 1.00 O ATOM 887 CB PRO A 88 3.072 -15.354 1.112 1.00 1.00 C ATOM 888 CG PRO A 88 1.590 -15.359 1.072 1.00 1.00 C ATOM 889 CD PRO A 88 1.166 -14.463 2.234 1.00 1.00 C ATOM 0 HA PRO A 88 4.361 -14.001 2.231 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.497 -15.512 0.121 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.455 -16.148 1.753 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.219 -14.976 0.121 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.194 -16.368 1.186 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.265 -13.900 1.990 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.943 -15.051 3.125 1.00 1.00 H new ATOM 897 N PRO A 89 4.895 -12.629 0.255 1.00 1.00 N ATOM 898 CA PRO A 89 5.277 -11.695 -0.782 1.00 1.00 C ATOM 899 C PRO A 89 4.424 -11.931 -2.021 1.00 1.00 C ATOM 900 O PRO A 89 3.924 -10.963 -2.591 1.00 1.00 O ATOM 901 CB PRO A 89 6.747 -12.001 -1.063 1.00 1.00 C ATOM 902 CG PRO A 89 7.253 -12.562 0.208 1.00 1.00 C ATOM 903 CD PRO A 89 6.054 -13.140 0.955 1.00 1.00 C ATOM 0 HA PRO A 89 5.133 -10.655 -0.490 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.856 -12.711 -1.883 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.293 -11.101 -1.346 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.997 -13.335 0.018 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.741 -11.789 0.802 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.072 -14.230 0.946 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.053 -12.829 2.000 1.00 1.00 H new ATOM 911 N ALA A 90 4.278 -13.189 -2.410 1.00 1.00 N ATOM 912 CA ALA A 90 3.485 -13.523 -3.581 1.00 1.00 C ATOM 913 C ALA A 90 2.061 -12.995 -3.395 1.00 1.00 C ATOM 914 O ALA A 90 1.474 -12.442 -4.324 1.00 1.00 O ATOM 915 CB ALA A 90 3.521 -15.035 -3.808 1.00 1.00 C ATOM 0 H ALA A 90 4.695 -13.989 -1.935 1.00 1.00 H new ATOM 0 HA ALA A 90 3.898 -13.050 -4.472 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.926 -15.285 -4.686 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.551 -15.355 -3.964 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.111 -15.544 -2.935 1.00 1.00 H new ATOM 921 N ASP A 91 1.547 -13.183 -2.189 1.00 1.00 N ATOM 922 CA ASP A 91 0.203 -12.733 -1.869 1.00 1.00 C ATOM 923 C ASP A 91 0.190 -11.206 -1.776 1.00 1.00 C ATOM 924 O ASP A 91 -0.872 -10.596 -1.659 1.00 1.00 O ATOM 925 CB ASP A 91 -0.259 -13.292 -0.522 1.00 1.00 C ATOM 926 CG ASP A 91 -0.622 -14.778 -0.529 1.00 1.00 C ATOM 927 OD1 ASP A 91 0.082 -15.605 -1.128 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.693 -15.081 0.123 1.00 1.00 O ATOM 0 H ASP A 91 2.037 -13.641 -1.421 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.466 -13.085 -2.654 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.531 -13.130 0.212 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.127 -12.723 -0.188 1.00 1.00 H new ATOM 934 N ALA A 92 1.383 -10.631 -1.833 1.00 1.00 N ATOM 935 CA ALA A 92 1.522 -9.187 -1.757 1.00 1.00 C ATOM 936 C ALA A 92 1.401 -8.593 -3.161 1.00 1.00 C ATOM 937 O ALA A 92 0.865 -7.499 -3.332 1.00 1.00 O ATOM 938 CB ALA A 92 2.853 -8.837 -1.088 1.00 1.00 C ATOM 0 H ALA A 92 2.262 -11.140 -1.931 1.00 1.00 H new ATOM 0 HA ALA A 92 0.728 -8.756 -1.148 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.958 -7.754 -1.031 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.877 -9.257 -0.083 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.674 -9.250 -1.673 1.00 1.00 H new ATOM 944 N LEU A 93 1.909 -9.339 -4.131 1.00 1.00 N ATOM 945 CA LEU A 93 1.865 -8.900 -5.515 1.00 1.00 C ATOM 946 C LEU A 93 0.407 -8.789 -5.964 1.00 1.00 C ATOM 947 O LEU A 93 0.115 -8.186 -6.996 1.00 1.00 O ATOM 948 CB LEU A 93 2.712 -9.820 -6.397 1.00 1.00 C ATOM 949 CG LEU A 93 4.227 -9.729 -6.201 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.937 -10.909 -6.866 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.763 -8.384 -6.696 1.00 1.00 C ATOM 0 H LEU A 93 2.354 -10.245 -3.985 1.00 1.00 H new ATOM 0 HA LEU A 93 2.306 -7.908 -5.614 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.403 -10.850 -6.216 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.487 -9.599 -7.440 1.00 1.00 H new ATOM 0 HG LEU A 93 4.438 -9.787 -5.133 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.012 -10.820 -6.712 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.583 -11.841 -6.426 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.722 -10.908 -7.935 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.842 -8.345 -6.545 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.540 -8.272 -7.757 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.289 -7.576 -6.138 1.00 1.00 H new ATOM 963 N LYS A 94 -0.471 -9.380 -5.167 1.00 1.00 N ATOM 964 CA LYS A 94 -1.892 -9.355 -5.470 1.00 1.00 C ATOM 965 C LYS A 94 -2.515 -8.094 -4.869 1.00 1.00 C ATOM 966 O LYS A 94 -3.613 -7.695 -5.256 1.00 1.00 O ATOM 967 CB LYS A 94 -2.561 -10.651 -5.007 1.00 1.00 C ATOM 968 CG LYS A 94 -2.783 -10.644 -3.493 1.00 1.00 C ATOM 969 CD LYS A 94 -4.276 -10.657 -3.158 1.00 1.00 C ATOM 970 CE LYS A 94 -4.881 -12.040 -3.408 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.359 -11.973 -3.367 1.00 1.00 N ATOM 0 H LYS A 94 -0.226 -9.879 -4.312 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.051 -9.308 -6.547 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.516 -10.774 -5.517 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -1.940 -11.503 -5.283 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.299 -11.513 -3.047 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -2.317 -9.760 -3.057 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.421 -10.376 -2.115 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -4.795 -9.914 -3.764 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.555 -12.417 -4.377 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.522 -12.742 -2.656 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.753 -12.930 -3.471 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -6.663 -11.570 -2.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.701 -11.372 -4.144 1.00 1.00 H new ATOM 984 N ILE A 95 -1.788 -7.501 -3.934 1.00 1.00 N ATOM 985 CA ILE A 95 -2.255 -6.292 -3.276 1.00 1.00 C ATOM 986 C ILE A 95 -1.952 -5.083 -4.164 1.00 1.00 C ATOM 987 O ILE A 95 -2.747 -4.148 -4.239 1.00 1.00 O ATOM 988 CB ILE A 95 -1.665 -6.185 -1.869 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.771 -7.519 -1.127 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.314 -5.041 -1.088 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.197 -7.753 -0.622 1.00 1.00 C ATOM 0 H ILE A 95 -0.878 -7.835 -3.616 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.336 -6.326 -3.141 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.604 -5.951 -1.960 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.478 -8.333 -1.790 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.077 -7.528 -0.286 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.877 -4.987 -0.091 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.143 -4.100 -1.611 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.386 -5.220 -1.005 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.245 -8.708 -0.098 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.478 -6.950 0.060 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.885 -7.768 -1.468 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.799 -5.142 -4.815 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.380 -4.064 -5.695 1.00 1.00 C ATOM 1005 C GLY A 96 -1.430 -3.800 -6.776 1.00 1.00 C ATOM 1006 O GLY A 96 -1.449 -2.728 -7.379 1.00 1.00 O ATOM 0 H GLY A 96 -0.142 -5.920 -4.751 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.216 -3.157 -5.113 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.571 -4.319 -6.162 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.278 -4.796 -6.989 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.328 -4.685 -7.987 1.00 1.00 C ATOM 1012 C GLU A 97 -4.448 -3.774 -7.480 1.00 1.00 C ATOM 1013 O GLU A 97 -4.845 -2.806 -8.125 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.872 -6.063 -8.366 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.747 -7.099 -8.426 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.203 -8.361 -9.161 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -4.379 -8.742 -9.069 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -2.285 -8.952 -9.849 1.00 1.00 O ATOM 0 H GLU A 97 -2.259 -5.684 -6.487 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.902 -4.239 -8.886 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.620 -6.375 -7.638 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.372 -6.007 -9.333 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.881 -6.672 -8.932 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.431 -7.357 -7.415 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.955 -4.111 -6.292 1.00 1.00 N ATOM 1027 CA TYR A 98 -6.022 -3.350 -5.674 1.00 1.00 C ATOM 1028 C TYR A 98 -5.686 -1.866 -5.708 1.00 1.00 C ATOM 1029 O TYR A 98 -6.604 -1.048 -5.732 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.220 -3.827 -4.238 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.395 -3.180 -3.544 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -7.178 -2.258 -2.513 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.701 -3.502 -3.932 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.267 -1.658 -1.870 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.790 -2.902 -3.289 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.573 -1.980 -2.259 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.635 -1.395 -1.632 1.00 1.00 O ATOM 0 H TYR A 98 -4.637 -4.910 -5.744 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.949 -3.504 -6.226 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.359 -4.908 -4.239 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.314 -3.623 -3.668 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -6.170 -2.010 -2.214 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.868 -4.213 -4.727 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -8.100 -0.947 -1.074 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.798 -3.151 -3.588 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.470 -1.727 -2.023 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.399 -1.549 -5.712 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.970 -0.161 -5.744 1.00 1.00 C ATOM 1049 C VAL A 99 -3.695 0.250 -7.191 1.00 1.00 C ATOM 1050 O VAL A 99 -2.836 1.092 -7.449 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.761 0.034 -4.827 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.181 1.442 -4.976 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.125 -0.258 -3.370 1.00 1.00 C ATOM 0 H VAL A 99 -3.640 -2.230 -5.694 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.757 0.491 -5.365 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.993 -0.678 -5.129 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.323 1.554 -4.313 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.866 1.598 -6.008 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.941 2.178 -4.713 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.248 -0.112 -2.740 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.918 0.418 -3.051 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.469 -1.289 -3.280 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.441 -0.363 -8.099 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.288 -0.072 -9.514 1.00 1.00 C ATOM 1065 C VAL A 100 -5.662 -0.097 -10.187 1.00 1.00 C ATOM 1066 O VAL A 100 -5.757 -0.170 -11.411 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.295 -1.049 -10.146 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.253 -0.882 -11.666 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.901 -0.885 -9.537 1.00 1.00 C ATOM 0 H VAL A 100 -5.153 -1.060 -7.882 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.875 0.927 -9.655 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.638 -2.061 -9.930 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.539 -1.588 -12.090 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.243 -1.073 -12.081 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.947 0.135 -11.912 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.215 -1.591 -10.004 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.547 0.132 -9.707 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.947 -1.078 -8.465 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.693 -0.036 -9.357 1.00 1.00 N ATOM 1080 CA ALA A 101 -8.058 -0.051 -9.856 1.00 1.00 C ATOM 1081 C ALA A 101 -8.832 1.119 -9.246 1.00 1.00 C ATOM 1082 O ALA A 101 -9.915 0.931 -8.694 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.701 -1.403 -9.542 1.00 1.00 C ATOM 0 H ALA A 101 -6.611 0.024 -8.342 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.073 0.073 -10.939 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.725 -1.415 -9.916 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.130 -2.198 -10.022 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.707 -1.561 -8.464 1.00 1.00 H new ATOM 1089 N SER A 102 -8.247 2.302 -9.367 1.00 1.00 N ATOM 1090 CA SER A 102 -8.868 3.502 -8.835 1.00 1.00 C ATOM 1091 C SER A 102 -7.928 4.697 -9.003 1.00 1.00 C ATOM 1092 O SER A 102 -8.378 5.818 -9.234 1.00 1.00 O ATOM 1093 CB SER A 102 -9.241 3.323 -7.361 1.00 1.00 C ATOM 1094 OG SER A 102 -10.652 3.282 -7.168 1.00 1.00 O ATOM 0 H SER A 102 -7.349 2.454 -9.826 1.00 1.00 H new ATOM 0 HA SER A 102 -9.785 3.688 -9.394 1.00 1.00 H new ATOM 0 HB2 SER A 102 -8.797 2.402 -6.984 1.00 1.00 H new ATOM 0 HB3 SER A 102 -8.819 4.142 -6.778 1.00 1.00 H new ATOM 0 HG SER A 102 -11.020 2.488 -7.609 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.639 4.417 -8.880 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.631 5.454 -9.016 1.00 1.00 C ATOM 1102 C PHE A 103 -4.247 4.847 -9.257 1.00 1.00 C ATOM 1103 O PHE A 103 -3.414 4.746 -8.360 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.610 6.233 -7.698 1.00 1.00 C ATOM 1105 CG PHE A 103 -6.074 5.420 -6.488 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.519 4.205 -6.231 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -7.042 5.912 -5.669 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.950 3.451 -5.108 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.473 5.157 -4.546 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.918 3.943 -4.289 1.00 1.00 C ATOM 0 H PHE A 103 -6.269 3.486 -8.687 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.870 6.095 -9.865 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.597 6.591 -7.515 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.246 7.113 -7.797 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.750 3.814 -6.881 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.483 6.877 -5.873 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.509 2.486 -4.904 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -8.242 5.548 -3.896 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.246 3.369 -3.435 1.00 1.00 H new ATOM 1120 N PRO A 104 -4.021 4.440 -10.508 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.784 3.839 -10.959 1.00 1.00 C ATOM 1122 C PRO A 104 -1.604 4.612 -10.390 1.00 1.00 C ATOM 1123 O PRO A 104 -0.506 4.073 -10.268 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.828 3.950 -12.482 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.361 3.758 -12.741 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.979 4.544 -11.587 1.00 1.00 C ATOM 0 HA PRO A 104 -2.672 2.804 -10.636 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.466 4.915 -12.838 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.226 3.184 -12.971 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.663 4.152 -13.711 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.650 2.707 -12.720 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.150 5.584 -11.865 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.945 4.129 -11.299 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.466 2.706 4.168 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.839 5.468 2.671 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.297 1.176 0.961 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.919 -0.188 5.476 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.289 4.266 7.129 1.00 1.00 C HETATM 1140 NA HEC A 201 0.978 3.202 2.214 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.508 4.418 1.820 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.673 4.452 0.386 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.247 3.264 -0.091 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.813 2.482 1.043 1.00 1.00 C HETATM 1145 CMA HEC A 201 1.211 2.800 -1.518 1.00 1.00 C HETATM 1146 CAA HEC A 201 2.222 5.615 -0.388 1.00 1.00 C HETATM 1147 CBA HEC A 201 1.262 6.796 -0.498 1.00 1.00 C HETATM 1148 CGA HEC A 201 0.457 6.969 0.782 1.00 1.00 C HETATM 1149 O1A HEC A 201 -0.463 6.149 0.989 1.00 1.00 O HETATM 1150 O2A HEC A 201 0.777 7.919 1.530 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.186 0.875 3.361 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.154 0.436 2.049 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.661 -0.913 1.959 1.00 1.00 C HETATM 1154 C3B HEC A 201 -0.998 -1.294 3.209 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.705 -0.184 4.085 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.772 -1.706 0.690 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.573 -2.609 3.651 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.788 -3.824 3.164 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.118 2.118 5.964 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.725 0.936 6.353 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.191 1.038 7.716 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.871 2.273 8.155 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.203 2.949 7.067 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.896 -0.055 8.466 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.137 2.873 9.504 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.669 2.008 10.671 1.00 1.00 C HETATM 1167 ND HEC A 201 0.884 4.513 4.747 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.885 4.936 6.065 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.599 6.185 6.190 1.00 1.00 C HETATM 1170 C3D HEC A 201 2.030 6.521 4.956 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.587 5.483 4.055 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.799 6.935 7.475 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.820 7.731 4.551 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.331 7.549 4.655 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.740 7.159 6.068 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.001 5.953 6.272 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.784 8.073 6.919 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.829 7.201 7.896 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.342 6.307 8.182 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.371 7.842 7.281 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.816 -0.319 7.945 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.249 -0.930 8.526 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.135 0.290 9.472 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.427 -1.185 -0.008 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.216 -1.820 0.244 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.186 -2.690 0.911 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.577 3.467 -2.102 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 2.221 2.808 -1.929 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.810 1.787 -1.561 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.657 6.781 3.954 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.832 8.474 4.370 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.182 1.047 10.640 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.407 1.848 10.597 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.897 2.511 11.611 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.768 -3.832 2.074 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.232 -3.775 3.545 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.266 -4.735 3.525 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 1.824 7.707 -0.704 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 0.586 6.642 -1.339 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.566 7.991 3.524 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.522 8.573 5.176 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 3.143 5.952 0.087 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 2.485 5.279 -1.391 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.197 4.798 8.076 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.260 -1.120 5.926 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.247 0.711 -0.024 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.327 6.339 2.235 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.642 8.039 7.392 1.00 1.00 H new HETATM 0 H2A HEC A 201 0.098 8.028 2.229 1.00 1.00 H new