USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 591 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 73 HIS : no HE2:sc= -0.727 K(o=-1.4,f=-3.9!) USER MOD Set 1.2: A 140 GLN : amide:sc= -0.632 X(o=-1.4,f=-1.6) USER MOD Set 2.1: A 45 THR OG1 : rot 121:sc= -0.572 USER MOD Set 2.2: A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0605 K(o=-0.06,f=-0.94) USER MOD Single : A 29 GLN : amide:sc= -0.446 K(o=-0.45,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 37 ASN : amide:sc= -3.57! C(o=-3.6!,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= -0.0232 (180deg=-0.22) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 42:sc= 0.149 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0753 USER MOD Single : A 86 HIS : no HE2:sc= -2.24 K(o=-2.2,f=-4.2!) USER MOD Single : A 88 TYR OH : rot 150:sc= -1.38 USER MOD Single : A 90 MET CE :methyl -151:sc= -0.875 (180deg=-3.45!) USER MOD Single : A 92 ASN : amide:sc= -0.951 K(o=-0.95,f=-4.8!) USER MOD Single : A 124 SER OG : rot -50:sc= 0.0868 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 82:sc= 1.1 USER MOD Single : A 136 MET CE :methyl 173:sc=-0.00226 (180deg=-0.0501) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 10.924 6.018 5.920 1.00 0.00 N ATOM 19 CA GLN A 28 11.066 4.529 5.995 1.00 0.00 C ATOM 20 C GLN A 28 10.636 4.023 7.379 1.00 0.00 C ATOM 21 O GLN A 28 10.590 4.778 8.334 1.00 0.00 O ATOM 22 CB GLN A 28 12.558 4.253 5.747 1.00 0.00 C ATOM 23 CG GLN A 28 13.416 4.967 6.800 1.00 0.00 C ATOM 24 CD GLN A 28 14.880 4.954 6.357 1.00 0.00 C ATOM 25 OE1 GLN A 28 15.178 5.155 5.197 1.00 0.00 O ATOM 26 NE2 GLN A 28 15.814 4.725 7.239 1.00 0.00 N ATOM 0 HA GLN A 28 10.437 4.017 5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.747 3.180 5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.837 4.594 4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.073 5.993 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.312 4.472 7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.565 4.556 8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.793 4.715 6.954 1.00 0.00 H new ATOM 35 N GLN A 29 10.322 2.753 7.483 1.00 0.00 N ATOM 36 CA GLN A 29 9.892 2.178 8.799 1.00 0.00 C ATOM 37 C GLN A 29 10.941 1.165 9.304 1.00 0.00 C ATOM 38 O GLN A 29 11.445 0.384 8.521 1.00 0.00 O ATOM 39 CB GLN A 29 8.560 1.478 8.506 1.00 0.00 C ATOM 40 CG GLN A 29 7.564 1.768 9.633 1.00 0.00 C ATOM 41 CD GLN A 29 6.666 2.941 9.237 1.00 0.00 C ATOM 42 OE1 GLN A 29 5.477 2.922 9.486 1.00 0.00 O ATOM 43 NE2 GLN A 29 7.187 3.970 8.626 1.00 0.00 N ATOM 0 H GLN A 29 10.345 2.087 6.710 1.00 0.00 H new ATOM 0 HA GLN A 29 9.790 2.939 9.573 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.158 1.825 7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.716 0.403 8.413 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.958 0.884 9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.099 2.002 10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.185 3.987 8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.596 4.757 8.358 1.00 0.00 H new ATOM 52 N PRO A 30 11.248 1.198 10.595 1.00 0.00 N ATOM 53 CA PRO A 30 12.249 0.251 11.140 1.00 0.00 C ATOM 54 C PRO A 30 11.637 -1.154 11.310 1.00 0.00 C ATOM 55 O PRO A 30 11.782 -1.995 10.441 1.00 0.00 O ATOM 56 CB PRO A 30 12.651 0.874 12.478 1.00 0.00 C ATOM 57 CG PRO A 30 11.495 1.734 12.889 1.00 0.00 C ATOM 58 CD PRO A 30 10.714 2.090 11.647 1.00 0.00 C ATOM 0 HA PRO A 30 13.108 0.108 10.485 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.851 0.105 13.224 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.562 1.464 12.377 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.860 1.205 13.600 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.849 2.636 13.388 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.645 1.933 11.793 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.849 3.139 11.382 1.00 0.00 H new ATOM 66 N GLU A 31 10.961 -1.417 12.413 1.00 0.00 N ATOM 67 CA GLU A 31 10.348 -2.767 12.627 1.00 0.00 C ATOM 68 C GLU A 31 8.821 -2.661 12.630 1.00 0.00 C ATOM 69 O GLU A 31 8.226 -2.213 13.595 1.00 0.00 O ATOM 70 CB GLU A 31 10.857 -3.220 13.995 1.00 0.00 C ATOM 71 CG GLU A 31 10.378 -4.648 14.269 1.00 0.00 C ATOM 72 CD GLU A 31 10.787 -5.064 15.684 1.00 0.00 C ATOM 73 OE1 GLU A 31 10.786 -4.208 16.555 1.00 0.00 O ATOM 74 OE2 GLU A 31 11.094 -6.227 15.873 1.00 0.00 O ATOM 0 H GLU A 31 10.810 -0.751 13.171 1.00 0.00 H new ATOM 0 HA GLU A 31 10.615 -3.471 11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.946 -3.179 14.022 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.493 -2.547 14.772 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.295 -4.706 14.161 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.809 -5.333 13.539 1.00 0.00 H new ATOM 81 N THR A 32 8.188 -3.071 11.556 1.00 0.00 N ATOM 82 CA THR A 32 6.694 -3.002 11.477 1.00 0.00 C ATOM 83 C THR A 32 6.139 -4.284 10.859 1.00 0.00 C ATOM 84 O THR A 32 6.841 -4.971 10.135 1.00 0.00 O ATOM 85 CB THR A 32 6.391 -1.798 10.572 1.00 0.00 C ATOM 86 OG1 THR A 32 4.985 -1.693 10.389 1.00 0.00 O ATOM 87 CG2 THR A 32 7.060 -1.968 9.201 1.00 0.00 C ATOM 0 H THR A 32 8.644 -3.452 10.727 1.00 0.00 H new ATOM 0 HA THR A 32 6.237 -2.896 12.461 1.00 0.00 H new ATOM 0 HB THR A 32 6.781 -0.898 11.047 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.786 -0.925 9.814 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.833 -1.105 8.576 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.139 -2.048 9.330 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.684 -2.872 8.722 1.00 0.00 H new ATOM 95 N GLU A 33 4.881 -4.602 11.116 1.00 0.00 N ATOM 96 CA GLU A 33 4.297 -5.834 10.507 1.00 0.00 C ATOM 97 C GLU A 33 3.098 -5.471 9.619 1.00 0.00 C ATOM 98 O GLU A 33 2.355 -4.535 9.879 1.00 0.00 O ATOM 99 CB GLU A 33 3.885 -6.721 11.687 1.00 0.00 C ATOM 100 CG GLU A 33 2.863 -5.993 12.558 1.00 0.00 C ATOM 101 CD GLU A 33 2.137 -7.002 13.452 1.00 0.00 C ATOM 102 OE1 GLU A 33 1.897 -8.104 12.991 1.00 0.00 O ATOM 103 OE2 GLU A 33 1.836 -6.653 14.581 1.00 0.00 O ATOM 0 H GLU A 33 4.250 -4.066 11.712 1.00 0.00 H new ATOM 0 HA GLU A 33 5.006 -6.353 9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.461 -7.655 11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.762 -6.980 12.281 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.362 -5.242 13.171 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.145 -5.466 11.930 1.00 0.00 H new ATOM 110 N ALA A 34 2.932 -6.219 8.566 1.00 0.00 N ATOM 111 CA ALA A 34 1.826 -5.974 7.608 1.00 0.00 C ATOM 112 C ALA A 34 0.770 -7.090 7.605 1.00 0.00 C ATOM 113 O ALA A 34 1.075 -8.273 7.362 1.00 0.00 O ATOM 114 CB ALA A 34 2.513 -5.919 6.248 1.00 0.00 C ATOM 0 H ALA A 34 3.532 -7.008 8.326 1.00 0.00 H new ATOM 0 HA ALA A 34 1.285 -5.065 7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.769 -5.740 5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.245 -5.111 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.017 -6.866 6.056 1.00 0.00 H new ATOM 120 N VAL A 35 -0.477 -6.696 7.801 1.00 0.00 N ATOM 121 CA VAL A 35 -1.617 -7.667 7.730 1.00 0.00 C ATOM 122 C VAL A 35 -2.446 -7.305 6.469 1.00 0.00 C ATOM 123 O VAL A 35 -2.756 -6.152 6.249 1.00 0.00 O ATOM 124 CB VAL A 35 -2.418 -7.476 9.031 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.700 -8.323 9.009 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.553 -7.887 10.228 1.00 0.00 C ATOM 0 H VAL A 35 -0.749 -5.735 8.008 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.312 -8.710 7.647 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.697 -6.426 9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.251 -8.173 9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.321 -8.021 8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.438 -9.376 8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.119 -7.752 11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.267 -8.934 10.128 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.657 -7.267 10.259 1.00 0.00 H new ATOM 136 N LEU A 36 -2.733 -8.265 5.606 1.00 0.00 N ATOM 137 CA LEU A 36 -3.463 -7.959 4.323 1.00 0.00 C ATOM 138 C LEU A 36 -4.754 -8.796 4.104 1.00 0.00 C ATOM 139 O LEU A 36 -4.746 -10.010 4.102 1.00 0.00 O ATOM 140 CB LEU A 36 -2.436 -8.263 3.209 1.00 0.00 C ATOM 141 CG LEU A 36 -2.300 -7.055 2.267 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.842 -6.910 1.823 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.188 -7.259 1.035 1.00 0.00 C ATOM 0 H LEU A 36 -2.492 -9.247 5.737 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.813 -6.927 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.468 -8.499 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.751 -9.140 2.644 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.611 -6.153 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.748 -6.053 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.209 -6.760 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.529 -7.814 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.089 -6.401 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.880 -8.163 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.227 -7.358 1.348 1.00 0.00 H new ATOM 155 N ASN A 37 -5.846 -8.097 3.858 1.00 0.00 N ATOM 156 CA ASN A 37 -7.207 -8.675 3.547 1.00 0.00 C ATOM 157 C ASN A 37 -7.891 -9.395 4.718 1.00 0.00 C ATOM 158 O ASN A 37 -8.869 -10.084 4.498 1.00 0.00 O ATOM 159 CB ASN A 37 -7.012 -9.662 2.375 1.00 0.00 C ATOM 160 CG ASN A 37 -6.263 -8.998 1.202 1.00 0.00 C ATOM 161 OD1 ASN A 37 -5.609 -9.676 0.435 1.00 0.00 O ATOM 162 ND2 ASN A 37 -6.325 -7.701 1.022 1.00 0.00 N ATOM 0 H ASN A 37 -5.846 -7.077 3.861 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.872 -7.845 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.454 -10.533 2.719 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.983 -10.020 2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.827 -7.270 0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.871 -7.123 1.661 1.00 0.00 H new ATOM 169 N GLY A 38 -7.464 -9.189 5.946 1.00 0.00 N ATOM 170 CA GLY A 38 -8.155 -9.845 7.111 1.00 0.00 C ATOM 171 C GLY A 38 -7.206 -10.837 7.783 1.00 0.00 C ATOM 172 O GLY A 38 -7.171 -10.944 8.997 1.00 0.00 O ATOM 0 H GLY A 38 -6.670 -8.598 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.474 -9.089 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.053 -10.360 6.770 1.00 0.00 H new ATOM 176 N LYS A 39 -6.422 -11.541 7.002 1.00 0.00 N ATOM 177 CA LYS A 39 -5.441 -12.511 7.580 1.00 0.00 C ATOM 178 C LYS A 39 -4.094 -11.809 7.616 1.00 0.00 C ATOM 179 O LYS A 39 -3.773 -11.069 6.695 1.00 0.00 O ATOM 180 CB LYS A 39 -5.419 -13.695 6.613 1.00 0.00 C ATOM 181 CG LYS A 39 -4.638 -14.853 7.240 1.00 0.00 C ATOM 182 CD LYS A 39 -4.461 -15.973 6.211 1.00 0.00 C ATOM 183 CE LYS A 39 -5.573 -17.014 6.384 1.00 0.00 C ATOM 184 NZ LYS A 39 -6.572 -16.690 5.329 1.00 0.00 N ATOM 0 H LYS A 39 -6.420 -11.484 5.984 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.689 -12.851 8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.437 -14.011 6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.958 -13.400 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.664 -14.504 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.168 -15.230 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.489 -15.561 5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.486 -16.444 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.188 -18.027 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.016 -16.957 7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.529 -16.882 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.493 -15.685 5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.392 -17.276 4.489 1.00 0.00 H new ATOM 198 N GLY A 40 -3.328 -11.974 8.680 1.00 0.00 N ATOM 199 CA GLY A 40 -2.035 -11.235 8.760 1.00 0.00 C ATOM 200 C GLY A 40 -0.973 -11.856 7.861 1.00 0.00 C ATOM 201 O GLY A 40 -0.374 -12.866 8.175 1.00 0.00 O ATOM 0 H GLY A 40 -3.543 -12.576 9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.192 -10.195 8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.682 -11.231 9.791 1.00 0.00 H new ATOM 205 N LEU A 41 -0.682 -11.176 6.781 1.00 0.00 N ATOM 206 CA LEU A 41 0.400 -11.599 5.873 1.00 0.00 C ATOM 207 C LEU A 41 1.341 -10.401 5.684 1.00 0.00 C ATOM 208 O LEU A 41 0.974 -9.412 5.070 1.00 0.00 O ATOM 209 CB LEU A 41 -0.325 -11.999 4.560 1.00 0.00 C ATOM 210 CG LEU A 41 0.647 -12.089 3.361 1.00 0.00 C ATOM 211 CD1 LEU A 41 1.747 -13.117 3.639 1.00 0.00 C ATOM 212 CD2 LEU A 41 -0.129 -12.495 2.104 1.00 0.00 C ATOM 0 H LEU A 41 -1.167 -10.326 6.493 1.00 0.00 H new ATOM 0 HA LEU A 41 1.004 -12.431 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.819 -12.961 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.104 -11.269 4.340 1.00 0.00 H new ATOM 0 HG LEU A 41 1.110 -11.114 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.422 -13.167 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.306 -12.821 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.297 -14.096 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.556 -12.559 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.599 -13.465 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.897 -11.750 1.894 1.00 0.00 H new ATOM 224 N GLY A 42 2.537 -10.498 6.172 1.00 0.00 N ATOM 225 CA GLY A 42 3.531 -9.411 6.010 1.00 0.00 C ATOM 226 C GLY A 42 4.203 -9.113 7.344 1.00 0.00 C ATOM 227 O GLY A 42 3.568 -8.685 8.280 1.00 0.00 O ATOM 0 H GLY A 42 2.877 -11.307 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.280 -9.700 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.042 -8.513 5.632 1.00 0.00 H new ATOM 231 N THR A 43 5.492 -9.322 7.423 1.00 0.00 N ATOM 232 CA THR A 43 6.245 -9.007 8.666 1.00 0.00 C ATOM 233 C THR A 43 7.613 -8.500 8.227 1.00 0.00 C ATOM 234 O THR A 43 8.386 -9.256 7.677 1.00 0.00 O ATOM 235 CB THR A 43 6.333 -10.331 9.444 1.00 0.00 C ATOM 236 OG1 THR A 43 7.079 -10.129 10.634 1.00 0.00 O ATOM 237 CG2 THR A 43 7.003 -11.421 8.599 1.00 0.00 C ATOM 0 H THR A 43 6.059 -9.703 6.666 1.00 0.00 H new ATOM 0 HA THR A 43 5.785 -8.249 9.300 1.00 0.00 H new ATOM 0 HB THR A 43 5.322 -10.657 9.688 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.135 -10.971 11.132 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.053 -12.347 9.172 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.422 -11.587 7.692 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.011 -11.105 8.331 1.00 0.00 H new ATOM 245 N GLY A 44 7.915 -7.231 8.428 1.00 0.00 N ATOM 246 CA GLY A 44 9.243 -6.716 7.960 1.00 0.00 C ATOM 247 C GLY A 44 9.312 -5.200 7.972 1.00 0.00 C ATOM 248 O GLY A 44 8.979 -4.543 8.942 1.00 0.00 O ATOM 0 H GLY A 44 7.312 -6.547 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.031 -7.118 8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.435 -7.078 6.950 1.00 0.00 H new ATOM 252 N THR A 45 9.804 -4.658 6.895 1.00 0.00 N ATOM 253 CA THR A 45 9.978 -3.170 6.800 1.00 0.00 C ATOM 254 C THR A 45 9.175 -2.565 5.648 1.00 0.00 C ATOM 255 O THR A 45 9.032 -3.154 4.593 1.00 0.00 O ATOM 256 CB THR A 45 11.477 -2.957 6.569 1.00 0.00 C ATOM 257 OG1 THR A 45 11.870 -3.614 5.375 1.00 0.00 O ATOM 258 CG2 THR A 45 12.270 -3.523 7.752 1.00 0.00 C ATOM 0 H THR A 45 10.097 -5.179 6.068 1.00 0.00 H new ATOM 0 HA THR A 45 9.615 -2.680 7.703 1.00 0.00 H new ATOM 0 HB THR A 45 11.679 -1.890 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.257 -2.961 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.336 -3.369 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.971 -3.013 8.668 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.068 -4.590 7.848 1.00 0.00 H new ATOM 266 N LEU A 46 8.677 -1.367 5.846 1.00 0.00 N ATOM 267 CA LEU A 46 7.906 -0.669 4.775 1.00 0.00 C ATOM 268 C LEU A 46 8.626 0.627 4.390 1.00 0.00 C ATOM 269 O LEU A 46 9.003 1.408 5.249 1.00 0.00 O ATOM 270 CB LEU A 46 6.543 -0.352 5.396 1.00 0.00 C ATOM 271 CG LEU A 46 5.639 0.287 4.339 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.174 0.005 4.682 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.871 1.798 4.309 1.00 0.00 C ATOM 0 H LEU A 46 8.775 -0.840 6.714 1.00 0.00 H new ATOM 0 HA LEU A 46 7.807 -1.274 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.085 -1.264 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.665 0.324 6.243 1.00 0.00 H new ATOM 0 HG LEU A 46 5.873 -0.135 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.530 0.460 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.005 -1.072 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.942 0.426 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.226 2.250 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.639 2.221 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.913 2.001 4.064 1.00 0.00 H new ATOM 285 N TYR A 47 8.813 0.862 3.113 1.00 0.00 N ATOM 286 CA TYR A 47 9.500 2.111 2.661 1.00 0.00 C ATOM 287 C TYR A 47 8.514 3.027 1.934 1.00 0.00 C ATOM 288 O TYR A 47 7.752 2.585 1.091 1.00 0.00 O ATOM 289 CB TYR A 47 10.600 1.657 1.698 1.00 0.00 C ATOM 290 CG TYR A 47 11.586 0.765 2.414 1.00 0.00 C ATOM 291 CD1 TYR A 47 12.705 1.324 3.046 1.00 0.00 C ATOM 292 CD2 TYR A 47 11.386 -0.620 2.448 1.00 0.00 C ATOM 293 CE1 TYR A 47 13.619 0.498 3.709 1.00 0.00 C ATOM 294 CE2 TYR A 47 12.299 -1.443 3.108 1.00 0.00 C ATOM 295 CZ TYR A 47 13.417 -0.887 3.740 1.00 0.00 C ATOM 296 OH TYR A 47 14.318 -1.703 4.392 1.00 0.00 O ATOM 0 H TYR A 47 8.517 0.239 2.362 1.00 0.00 H new ATOM 0 HA TYR A 47 9.905 2.671 3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.159 1.122 0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.116 2.526 1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.862 2.392 3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.524 -1.052 1.963 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.481 0.929 4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.143 -2.511 3.131 1.00 0.00 H new ATOM 0 HH TYR A 47 14.726 -1.212 5.135 1.00 0.00 H new ATOM 306 N ILE A 48 8.531 4.301 2.251 1.00 0.00 N ATOM 307 CA ILE A 48 7.607 5.268 1.582 1.00 0.00 C ATOM 308 C ILE A 48 8.418 6.193 0.668 1.00 0.00 C ATOM 309 O ILE A 48 9.347 6.846 1.106 1.00 0.00 O ATOM 310 CB ILE A 48 6.946 6.056 2.721 1.00 0.00 C ATOM 311 CG1 ILE A 48 6.179 5.092 3.634 1.00 0.00 C ATOM 312 CG2 ILE A 48 5.968 7.084 2.142 1.00 0.00 C ATOM 313 CD1 ILE A 48 5.661 5.849 4.859 1.00 0.00 C ATOM 0 H ILE A 48 9.150 4.713 2.949 1.00 0.00 H new ATOM 0 HA ILE A 48 6.858 4.776 0.962 1.00 0.00 H new ATOM 0 HB ILE A 48 7.718 6.570 3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.346 4.645 3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.830 4.276 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.502 7.641 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.507 7.774 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.199 6.570 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.116 5.163 5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.502 6.274 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.995 6.650 4.537 1.00 0.00 H new ATOM 325 N ALA A 49 8.072 6.244 -0.597 1.00 0.00 N ATOM 326 CA ALA A 49 8.814 7.112 -1.558 1.00 0.00 C ATOM 327 C ALA A 49 7.849 8.049 -2.282 1.00 0.00 C ATOM 328 O ALA A 49 6.646 7.972 -2.102 1.00 0.00 O ATOM 329 CB ALA A 49 9.462 6.143 -2.547 1.00 0.00 C ATOM 0 H ALA A 49 7.301 5.716 -1.005 1.00 0.00 H new ATOM 0 HA ALA A 49 9.551 7.741 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.028 6.705 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.133 5.471 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.688 5.561 -3.046 1.00 0.00 H new ATOM 335 N GLU A 50 8.372 8.929 -3.100 1.00 0.00 N ATOM 336 CA GLU A 50 7.495 9.888 -3.856 1.00 0.00 C ATOM 337 C GLU A 50 6.479 9.122 -4.711 1.00 0.00 C ATOM 338 O GLU A 50 6.806 8.582 -5.750 1.00 0.00 O ATOM 339 CB GLU A 50 8.441 10.693 -4.749 1.00 0.00 C ATOM 340 CG GLU A 50 7.647 11.773 -5.493 1.00 0.00 C ATOM 341 CD GLU A 50 8.562 12.489 -6.492 1.00 0.00 C ATOM 342 OE1 GLU A 50 9.739 12.625 -6.199 1.00 0.00 O ATOM 343 OE2 GLU A 50 8.067 12.890 -7.532 1.00 0.00 O ATOM 0 H GLU A 50 9.371 9.028 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 50 6.928 10.532 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.224 11.153 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.934 10.033 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.803 11.323 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.236 12.490 -4.783 1.00 0.00 H new ATOM 350 N SER A 51 5.240 9.070 -4.272 1.00 0.00 N ATOM 351 CA SER A 51 4.171 8.335 -5.037 1.00 0.00 C ATOM 352 C SER A 51 4.582 6.879 -5.289 1.00 0.00 C ATOM 353 O SER A 51 4.143 6.259 -6.241 1.00 0.00 O ATOM 354 CB SER A 51 3.998 9.086 -6.363 1.00 0.00 C ATOM 355 OG SER A 51 3.688 10.448 -6.095 1.00 0.00 O ATOM 0 H SER A 51 4.919 9.509 -3.409 1.00 0.00 H new ATOM 0 HA SER A 51 3.238 8.304 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.911 9.019 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.203 8.629 -6.952 1.00 0.00 H new ATOM 0 HG SER A 51 3.579 10.931 -6.941 1.00 0.00 H new ATOM 361 N ARG A 52 5.416 6.336 -4.434 1.00 0.00 N ATOM 362 CA ARG A 52 5.864 4.918 -4.596 1.00 0.00 C ATOM 363 C ARG A 52 6.064 4.283 -3.220 1.00 0.00 C ATOM 364 O ARG A 52 6.540 4.926 -2.302 1.00 0.00 O ATOM 365 CB ARG A 52 7.193 5.000 -5.348 1.00 0.00 C ATOM 366 CG ARG A 52 6.931 4.930 -6.852 1.00 0.00 C ATOM 367 CD ARG A 52 8.265 4.894 -7.603 1.00 0.00 C ATOM 368 NE ARG A 52 8.930 3.641 -7.150 1.00 0.00 N ATOM 369 CZ ARG A 52 9.006 2.615 -7.954 1.00 0.00 C ATOM 370 NH1 ARG A 52 8.019 1.762 -8.017 1.00 0.00 N ATOM 371 NH2 ARG A 52 10.068 2.441 -8.692 1.00 0.00 N ATOM 0 H ARG A 52 5.808 6.819 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 52 5.136 4.309 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.707 5.929 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.847 4.183 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.345 4.042 -7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.346 5.793 -7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.110 4.891 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.872 5.769 -7.371 1.00 0.00 H new ATOM 0 HE ARG A 52 9.326 3.584 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.190 1.898 -7.439 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.077 0.960 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.839 3.107 -8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.127 1.639 -9.320 1.00 0.00 H new ATOM 385 N LEU A 53 5.699 3.030 -3.075 1.00 0.00 N ATOM 386 CA LEU A 53 5.861 2.346 -1.754 1.00 0.00 C ATOM 387 C LEU A 53 6.506 0.971 -1.941 1.00 0.00 C ATOM 388 O LEU A 53 6.040 0.161 -2.720 1.00 0.00 O ATOM 389 CB LEU A 53 4.438 2.205 -1.203 1.00 0.00 C ATOM 390 CG LEU A 53 4.436 2.483 0.302 1.00 0.00 C ATOM 391 CD1 LEU A 53 3.017 2.828 0.756 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.922 1.241 1.052 1.00 0.00 C ATOM 0 H LEU A 53 5.297 2.453 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 53 6.506 2.906 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.770 2.901 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.061 1.201 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 53 5.100 3.320 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.016 3.026 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.670 3.713 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.353 1.991 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.920 1.439 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.259 0.403 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.934 0.994 0.730 1.00 0.00 H new ATOM 404 N SER A 54 7.572 0.708 -1.223 1.00 0.00 N ATOM 405 CA SER A 54 8.261 -0.614 -1.337 1.00 0.00 C ATOM 406 C SER A 54 8.228 -1.330 0.012 1.00 0.00 C ATOM 407 O SER A 54 8.520 -0.742 1.033 1.00 0.00 O ATOM 408 CB SER A 54 9.696 -0.283 -1.741 1.00 0.00 C ATOM 409 OG SER A 54 10.421 -1.492 -1.927 1.00 0.00 O ATOM 0 H SER A 54 7.996 1.357 -0.560 1.00 0.00 H new ATOM 0 HA SER A 54 7.784 -1.274 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.702 0.303 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.172 0.325 -0.972 1.00 0.00 H new ATOM 0 HG SER A 54 11.342 -1.284 -2.188 1.00 0.00 H new ATOM 415 N TRP A 55 7.863 -2.589 0.017 1.00 0.00 N ATOM 416 CA TRP A 55 7.797 -3.359 1.304 1.00 0.00 C ATOM 417 C TRP A 55 8.771 -4.536 1.290 1.00 0.00 C ATOM 418 O TRP A 55 8.967 -5.170 0.268 1.00 0.00 O ATOM 419 CB TRP A 55 6.358 -3.866 1.391 1.00 0.00 C ATOM 420 CG TRP A 55 5.899 -3.830 2.811 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.284 -2.782 3.385 1.00 0.00 C ATOM 422 CD2 TRP A 55 6.018 -4.852 3.845 1.00 0.00 C ATOM 423 NE1 TRP A 55 5.001 -3.091 4.701 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.438 -4.353 5.035 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.559 -6.149 3.868 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.398 -5.110 6.205 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.519 -6.914 5.046 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.941 -6.395 6.212 1.00 0.00 C ATOM 0 H TRP A 55 7.607 -3.120 -0.815 1.00 0.00 H new ATOM 0 HA TRP A 55 8.071 -2.738 2.157 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.706 -3.249 0.772 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.296 -4.883 1.004 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.049 -1.848 2.896 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.526 -2.461 5.347 1.00 0.00 H new ATOM 0 HE3 TRP A 55 7.008 -6.560 2.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.950 -4.704 7.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.937 -7.910 5.053 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.916 -6.988 7.114 1.00 0.00 H new ATOM 439 N LEU A 56 9.367 -4.839 2.421 1.00 0.00 N ATOM 440 CA LEU A 56 10.317 -5.989 2.490 1.00 0.00 C ATOM 441 C LEU A 56 9.748 -7.093 3.383 1.00 0.00 C ATOM 442 O LEU A 56 9.352 -6.841 4.515 1.00 0.00 O ATOM 443 CB LEU A 56 11.587 -5.422 3.097 1.00 0.00 C ATOM 444 CG LEU A 56 12.799 -6.243 2.628 1.00 0.00 C ATOM 445 CD1 LEU A 56 13.987 -5.310 2.385 1.00 0.00 C ATOM 446 CD2 LEU A 56 13.170 -7.273 3.697 1.00 0.00 C ATOM 0 H LEU A 56 9.234 -4.336 3.299 1.00 0.00 H new ATOM 0 HA LEU A 56 10.496 -6.430 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.707 -4.379 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.522 -5.442 4.185 1.00 0.00 H new ATOM 0 HG LEU A 56 12.546 -6.759 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.846 -5.893 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.726 -4.580 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.237 -4.791 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.029 -7.853 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.419 -6.760 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.326 -7.941 3.867 1.00 0.00 H new ATOM 458 N ASP A 57 9.709 -8.311 2.880 1.00 0.00 N ATOM 459 CA ASP A 57 9.160 -9.444 3.681 1.00 0.00 C ATOM 460 C ASP A 57 10.214 -10.020 4.637 1.00 0.00 C ATOM 461 O ASP A 57 11.392 -10.124 4.319 1.00 0.00 O ATOM 462 CB ASP A 57 8.708 -10.504 2.675 1.00 0.00 C ATOM 463 CG ASP A 57 7.676 -11.426 3.329 1.00 0.00 C ATOM 464 OD1 ASP A 57 7.806 -11.682 4.515 1.00 0.00 O ATOM 465 OD2 ASP A 57 6.771 -11.858 2.633 1.00 0.00 O ATOM 0 H ASP A 57 10.036 -8.562 1.947 1.00 0.00 H new ATOM 0 HA ASP A 57 8.332 -9.107 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.277 -10.025 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.565 -11.085 2.334 1.00 0.00 H new ATOM 470 N GLY A 58 9.757 -10.374 5.812 1.00 0.00 N ATOM 471 CA GLY A 58 10.616 -10.929 6.904 1.00 0.00 C ATOM 472 C GLY A 58 11.553 -12.051 6.439 1.00 0.00 C ATOM 473 O GLY A 58 12.537 -12.333 7.103 1.00 0.00 O ATOM 0 H GLY A 58 8.773 -10.296 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.212 -10.123 7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.976 -11.308 7.701 1.00 0.00 H new ATOM 477 N SER A 59 11.270 -12.701 5.329 1.00 0.00 N ATOM 478 CA SER A 59 12.157 -13.815 4.853 1.00 0.00 C ATOM 479 C SER A 59 13.335 -13.289 4.012 1.00 0.00 C ATOM 480 O SER A 59 13.977 -14.050 3.310 1.00 0.00 O ATOM 481 CB SER A 59 11.251 -14.700 3.997 1.00 0.00 C ATOM 482 OG SER A 59 10.253 -15.287 4.822 1.00 0.00 O ATOM 0 H SER A 59 10.464 -12.508 4.734 1.00 0.00 H new ATOM 0 HA SER A 59 12.602 -14.351 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.786 -14.109 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.839 -15.477 3.508 1.00 0.00 H new ATOM 0 HG SER A 59 9.669 -15.854 4.276 1.00 0.00 H new ATOM 488 N GLY A 60 13.625 -12.002 4.074 1.00 0.00 N ATOM 489 CA GLY A 60 14.756 -11.436 3.281 1.00 0.00 C ATOM 490 C GLY A 60 14.345 -11.243 1.828 1.00 0.00 C ATOM 491 O GLY A 60 15.182 -11.208 0.942 1.00 0.00 O ATOM 0 H GLY A 60 13.120 -11.324 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.065 -10.482 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.616 -12.103 3.336 1.00 0.00 H new ATOM 495 N LEU A 61 13.067 -11.115 1.579 1.00 0.00 N ATOM 496 CA LEU A 61 12.582 -10.916 0.183 1.00 0.00 C ATOM 497 C LEU A 61 11.610 -9.751 0.174 1.00 0.00 C ATOM 498 O LEU A 61 10.643 -9.768 0.905 1.00 0.00 O ATOM 499 CB LEU A 61 11.872 -12.221 -0.193 1.00 0.00 C ATOM 500 CG LEU A 61 12.857 -13.391 -0.105 1.00 0.00 C ATOM 501 CD1 LEU A 61 12.112 -14.706 -0.346 1.00 0.00 C ATOM 502 CD2 LEU A 61 13.945 -13.221 -1.169 1.00 0.00 C ATOM 0 H LEU A 61 12.335 -11.140 2.289 1.00 0.00 H new ATOM 0 HA LEU A 61 13.383 -10.693 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.028 -12.393 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.469 -12.148 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 61 13.313 -13.408 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.813 -15.538 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.336 -14.828 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.656 -14.690 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.647 -14.053 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.487 -13.204 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.476 -12.285 -1.000 1.00 0.00 H new ATOM 514 N GLY A 62 11.863 -8.739 -0.618 1.00 0.00 N ATOM 515 CA GLY A 62 10.944 -7.564 -0.635 1.00 0.00 C ATOM 516 C GLY A 62 10.264 -7.430 -1.984 1.00 0.00 C ATOM 517 O GLY A 62 10.512 -8.188 -2.898 1.00 0.00 O ATOM 0 H GLY A 62 12.662 -8.677 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.192 -7.674 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.504 -6.656 -0.413 1.00 0.00 H new ATOM 521 N PHE A 63 9.406 -6.456 -2.093 1.00 0.00 N ATOM 522 CA PHE A 63 8.683 -6.212 -3.366 1.00 0.00 C ATOM 523 C PHE A 63 8.287 -4.749 -3.426 1.00 0.00 C ATOM 524 O PHE A 63 7.959 -4.153 -2.410 1.00 0.00 O ATOM 525 CB PHE A 63 7.469 -7.164 -3.387 1.00 0.00 C ATOM 526 CG PHE A 63 6.549 -6.989 -2.183 1.00 0.00 C ATOM 527 CD1 PHE A 63 6.978 -7.327 -0.890 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.236 -6.535 -2.380 1.00 0.00 C ATOM 529 CE1 PHE A 63 6.102 -7.216 0.198 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.362 -6.415 -1.290 1.00 0.00 C ATOM 531 CZ PHE A 63 4.792 -6.758 -0.002 1.00 0.00 C ATOM 0 H PHE A 63 9.173 -5.809 -1.340 1.00 0.00 H new ATOM 0 HA PHE A 63 9.296 -6.412 -4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.898 -6.995 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.824 -8.194 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.988 -7.674 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.898 -6.278 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.436 -7.483 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.355 -6.057 -1.444 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.116 -6.670 0.836 1.00 0.00 H new ATOM 541 N SER A 64 8.344 -4.158 -4.595 1.00 0.00 N ATOM 542 CA SER A 64 8.006 -2.716 -4.715 1.00 0.00 C ATOM 543 C SER A 64 6.581 -2.523 -5.227 1.00 0.00 C ATOM 544 O SER A 64 6.195 -3.059 -6.250 1.00 0.00 O ATOM 545 CB SER A 64 9.014 -2.162 -5.717 1.00 0.00 C ATOM 546 OG SER A 64 9.137 -3.062 -6.810 1.00 0.00 O ATOM 0 H SER A 64 8.610 -4.616 -5.467 1.00 0.00 H new ATOM 0 HA SER A 64 8.054 -2.208 -3.752 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.690 -1.184 -6.072 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.982 -2.022 -5.236 1.00 0.00 H new ATOM 0 HG SER A 64 8.250 -3.395 -7.061 1.00 0.00 H new ATOM 552 N LEU A 65 5.809 -1.739 -4.519 1.00 0.00 N ATOM 553 CA LEU A 65 4.404 -1.463 -4.943 1.00 0.00 C ATOM 554 C LEU A 65 4.346 -0.104 -5.652 1.00 0.00 C ATOM 555 O LEU A 65 4.485 0.934 -5.029 1.00 0.00 O ATOM 556 CB LEU A 65 3.586 -1.430 -3.648 1.00 0.00 C ATOM 557 CG LEU A 65 3.685 -2.783 -2.939 1.00 0.00 C ATOM 558 CD1 LEU A 65 2.980 -2.702 -1.585 1.00 0.00 C ATOM 559 CD2 LEU A 65 3.014 -3.860 -3.796 1.00 0.00 C ATOM 0 H LEU A 65 6.095 -1.274 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 65 4.021 -2.213 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.954 -0.639 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.544 -1.201 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 65 4.734 -3.037 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.050 -3.665 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.455 -1.936 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.931 -2.447 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.085 -4.823 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.965 -3.605 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.514 -3.920 -4.763 1.00 0.00 H new ATOM 654 N SER A 71 -7.874 2.085 0.386 1.00 0.00 N ATOM 655 CA SER A 71 -9.147 2.821 0.093 1.00 0.00 C ATOM 656 C SER A 71 -9.623 3.530 1.365 1.00 0.00 C ATOM 657 O SER A 71 -9.399 4.717 1.534 1.00 0.00 O ATOM 658 CB SER A 71 -10.138 1.745 -0.364 1.00 0.00 C ATOM 659 OG SER A 71 -11.471 2.200 -0.156 1.00 0.00 O ATOM 0 HA SER A 71 -9.033 3.589 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.982 1.517 -1.418 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.968 0.822 0.190 1.00 0.00 H new ATOM 0 HG SER A 71 -12.102 1.510 -0.451 1.00 0.00 H new ATOM 665 N LEU A 72 -10.244 2.805 2.274 1.00 0.00 N ATOM 666 CA LEU A 72 -10.698 3.427 3.552 1.00 0.00 C ATOM 667 C LEU A 72 -9.608 3.185 4.589 1.00 0.00 C ATOM 668 O LEU A 72 -9.360 2.057 4.944 1.00 0.00 O ATOM 669 CB LEU A 72 -11.988 2.674 3.913 1.00 0.00 C ATOM 670 CG LEU A 72 -12.523 3.141 5.275 1.00 0.00 C ATOM 671 CD1 LEU A 72 -14.029 2.885 5.339 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.840 2.356 6.397 1.00 0.00 C ATOM 0 H LEU A 72 -10.452 1.811 2.180 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.879 4.500 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.741 2.842 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.794 1.602 3.941 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.317 4.205 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.413 3.215 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.526 3.438 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.222 1.819 5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.223 2.691 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.046 1.293 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.764 2.524 6.356 1.00 0.00 H new ATOM 684 N HIS A 73 -8.941 4.222 5.051 1.00 0.00 N ATOM 685 CA HIS A 73 -7.841 4.028 6.039 1.00 0.00 C ATOM 686 C HIS A 73 -8.259 4.451 7.452 1.00 0.00 C ATOM 687 O HIS A 73 -8.920 5.449 7.661 1.00 0.00 O ATOM 688 CB HIS A 73 -6.673 4.883 5.525 1.00 0.00 C ATOM 689 CG HIS A 73 -7.076 6.336 5.452 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.667 6.886 4.324 1.00 0.00 N ATOM 691 CD2 HIS A 73 -6.970 7.361 6.358 1.00 0.00 C ATOM 692 CE1 HIS A 73 -7.893 8.187 4.581 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.488 8.529 5.807 1.00 0.00 N ATOM 0 H HIS A 73 -9.116 5.191 4.783 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.568 2.976 6.121 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.813 4.770 6.186 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.365 4.534 4.539 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.889 6.394 3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.548 7.274 7.349 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.347 8.872 3.881 1.00 0.00 H new ATOM 701 N ALA A 74 -7.866 3.664 8.417 1.00 0.00 N ATOM 702 CA ALA A 74 -8.201 3.934 9.840 1.00 0.00 C ATOM 703 C ALA A 74 -6.923 4.275 10.611 1.00 0.00 C ATOM 704 O ALA A 74 -6.007 3.471 10.687 1.00 0.00 O ATOM 705 CB ALA A 74 -8.797 2.613 10.352 1.00 0.00 C ATOM 0 H ALA A 74 -7.310 2.821 8.270 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.888 4.771 9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.074 2.721 11.401 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.682 2.362 9.767 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.058 1.818 10.252 1.00 0.00 H new ATOM 711 N VAL A 75 -6.853 5.458 11.176 1.00 0.00 N ATOM 712 CA VAL A 75 -5.627 5.869 11.943 1.00 0.00 C ATOM 713 C VAL A 75 -5.322 4.870 13.069 1.00 0.00 C ATOM 714 O VAL A 75 -4.176 4.534 13.312 1.00 0.00 O ATOM 715 CB VAL A 75 -5.945 7.258 12.520 1.00 0.00 C ATOM 716 CG1 VAL A 75 -6.211 8.237 11.373 1.00 0.00 C ATOM 717 CG2 VAL A 75 -7.181 7.188 13.427 1.00 0.00 C ATOM 0 H VAL A 75 -7.592 6.160 11.140 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.745 5.891 11.303 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.093 7.600 13.108 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.437 9.222 11.781 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.328 8.301 10.737 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.058 7.886 10.784 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.394 8.179 13.828 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.037 6.839 12.849 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.991 6.497 14.248 1.00 0.00 H new ATOM 876 N GLU A 85 -1.055 2.134 18.396 1.00 0.00 N ATOM 877 CA GLU A 85 -0.361 2.625 17.165 1.00 0.00 C ATOM 878 C GLU A 85 -0.499 1.584 16.049 1.00 0.00 C ATOM 879 O GLU A 85 0.453 0.917 15.684 1.00 0.00 O ATOM 880 CB GLU A 85 1.110 2.811 17.565 1.00 0.00 C ATOM 881 CG GLU A 85 1.699 1.483 18.083 1.00 0.00 C ATOM 882 CD GLU A 85 3.070 1.231 17.448 1.00 0.00 C ATOM 883 OE1 GLU A 85 3.244 1.596 16.296 1.00 0.00 O ATOM 884 OE2 GLU A 85 3.924 0.681 18.124 1.00 0.00 O ATOM 0 HA GLU A 85 -0.786 3.557 16.792 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.685 3.161 16.708 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.190 3.577 18.337 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.793 1.517 19.168 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.024 0.660 17.847 1.00 0.00 H new ATOM 891 N HIS A 86 -1.691 1.436 15.524 1.00 0.00 N ATOM 892 CA HIS A 86 -1.934 0.429 14.444 1.00 0.00 C ATOM 893 C HIS A 86 -2.705 1.066 13.278 1.00 0.00 C ATOM 894 O HIS A 86 -3.707 1.725 13.498 1.00 0.00 O ATOM 895 CB HIS A 86 -2.797 -0.635 15.134 1.00 0.00 C ATOM 896 CG HIS A 86 -1.953 -1.438 16.087 1.00 0.00 C ATOM 897 ND1 HIS A 86 -1.481 -0.911 17.278 1.00 0.00 N ATOM 898 CD2 HIS A 86 -1.496 -2.732 16.044 1.00 0.00 C ATOM 899 CE1 HIS A 86 -0.775 -1.874 17.896 1.00 0.00 C ATOM 900 NE2 HIS A 86 -0.752 -3.005 17.186 1.00 0.00 N ATOM 0 H HIS A 86 -2.512 1.974 15.800 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.013 0.027 14.023 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.616 -0.158 15.673 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.245 -1.292 14.389 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.640 0.035 17.623 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.686 -3.432 15.244 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.286 -1.748 18.851 1.00 0.00 H new ATOM 908 N LEU A 87 -2.258 0.868 12.044 1.00 0.00 N ATOM 909 CA LEU A 87 -2.988 1.458 10.888 1.00 0.00 C ATOM 910 C LEU A 87 -3.799 0.406 10.132 1.00 0.00 C ATOM 911 O LEU A 87 -3.257 -0.516 9.570 1.00 0.00 O ATOM 912 CB LEU A 87 -1.919 2.085 9.990 1.00 0.00 C ATOM 913 CG LEU A 87 -2.418 3.428 9.456 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.238 4.233 8.908 1.00 0.00 C ATOM 915 CD2 LEU A 87 -3.432 3.186 8.335 1.00 0.00 C ATOM 0 H LEU A 87 -1.427 0.327 11.804 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.712 2.200 11.224 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.996 2.226 10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.689 1.416 9.161 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.893 3.984 10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.596 5.190 8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.515 4.407 9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.762 3.677 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.788 4.143 7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.956 2.628 7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.275 2.614 8.724 1.00 0.00 H new ATOM 927 N TYR A 88 -5.106 0.555 10.118 1.00 0.00 N ATOM 928 CA TYR A 88 -5.976 -0.425 9.395 1.00 0.00 C ATOM 929 C TYR A 88 -6.610 0.215 8.176 1.00 0.00 C ATOM 930 O TYR A 88 -7.371 1.142 8.354 1.00 0.00 O ATOM 931 CB TYR A 88 -7.101 -0.711 10.389 1.00 0.00 C ATOM 932 CG TYR A 88 -7.862 -1.957 10.000 1.00 0.00 C ATOM 933 CD1 TYR A 88 -7.442 -3.176 10.500 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.987 -1.896 9.160 1.00 0.00 C ATOM 935 CE1 TYR A 88 -8.125 -4.340 10.182 1.00 0.00 C ATOM 936 CE2 TYR A 88 -9.678 -3.068 8.833 1.00 0.00 C ATOM 937 CZ TYR A 88 -9.247 -4.295 9.349 1.00 0.00 C ATOM 938 OH TYR A 88 -9.926 -5.456 9.042 1.00 0.00 O ATOM 0 H TYR A 88 -5.606 1.316 10.578 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.412 -1.300 9.071 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.685 -0.832 11.389 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.782 0.139 10.427 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.575 -3.222 11.143 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.318 -0.946 8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.789 -5.286 10.580 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.541 -3.026 8.185 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.872 -5.251 8.891 1.00 0.00 H new ATOM 948 N VAL A 89 -6.388 -0.283 6.955 1.00 0.00 N ATOM 949 CA VAL A 89 -7.103 0.350 5.786 1.00 0.00 C ATOM 950 C VAL A 89 -7.886 -0.712 4.981 1.00 0.00 C ATOM 951 O VAL A 89 -7.361 -1.705 4.527 1.00 0.00 O ATOM 952 CB VAL A 89 -6.063 1.171 4.965 1.00 0.00 C ATOM 953 CG1 VAL A 89 -5.241 2.073 5.918 1.00 0.00 C ATOM 954 CG2 VAL A 89 -5.068 0.284 4.236 1.00 0.00 C ATOM 0 H VAL A 89 -5.771 -1.064 6.733 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.870 1.051 6.116 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.632 1.750 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.515 2.646 5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.911 2.757 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.718 1.452 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.366 0.905 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.522 -0.321 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.601 -0.369 3.545 1.00 0.00 H new ATOM 964 N MET A 90 -9.177 -0.520 4.862 1.00 0.00 N ATOM 965 CA MET A 90 -10.047 -1.523 4.160 1.00 0.00 C ATOM 966 C MET A 90 -10.026 -1.338 2.644 1.00 0.00 C ATOM 967 O MET A 90 -10.159 -0.238 2.144 1.00 0.00 O ATOM 968 CB MET A 90 -11.443 -1.280 4.725 1.00 0.00 C ATOM 969 CG MET A 90 -11.485 -1.775 6.171 1.00 0.00 C ATOM 970 SD MET A 90 -12.693 -0.805 7.108 1.00 0.00 S ATOM 971 CE MET A 90 -12.705 -1.832 8.597 1.00 0.00 C ATOM 0 H MET A 90 -9.672 0.295 5.223 1.00 0.00 H new ATOM 0 HA MET A 90 -9.701 -2.543 4.326 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.687 -0.219 4.683 1.00 0.00 H new ATOM 0 HB3 MET A 90 -12.188 -1.803 4.126 1.00 0.00 H new ATOM 0 HG2 MET A 90 -11.752 -2.831 6.197 1.00 0.00 H new ATOM 0 HG3 MET A 90 -10.499 -1.685 6.626 1.00 0.00 H new ATOM 0 HE1 MET A 90 -13.680 -1.762 9.079 1.00 0.00 H new ATOM 0 HE2 MET A 90 -12.508 -2.869 8.325 1.00 0.00 H new ATOM 0 HE3 MET A 90 -11.934 -1.484 9.285 1.00 0.00 H new ATOM 981 N VAL A 91 -9.860 -2.421 1.914 1.00 0.00 N ATOM 982 CA VAL A 91 -9.825 -2.335 0.421 1.00 0.00 C ATOM 983 C VAL A 91 -10.874 -3.277 -0.186 1.00 0.00 C ATOM 984 O VAL A 91 -10.958 -4.444 0.168 1.00 0.00 O ATOM 985 CB VAL A 91 -8.407 -2.770 0.023 1.00 0.00 C ATOM 986 CG1 VAL A 91 -8.249 -2.699 -1.498 1.00 0.00 C ATOM 987 CG2 VAL A 91 -7.374 -1.843 0.675 1.00 0.00 C ATOM 0 H VAL A 91 -9.747 -3.361 2.293 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.053 -1.332 0.060 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.246 -3.793 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.241 -3.009 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.974 -3.361 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.419 -1.676 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.371 -2.158 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.542 -0.819 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.474 -1.893 1.759 1.00 0.00 H new ATOM 997 N ASN A 92 -11.666 -2.773 -1.102 1.00 0.00 N ATOM 998 CA ASN A 92 -12.715 -3.617 -1.751 1.00 0.00 C ATOM 999 C ASN A 92 -12.258 -4.029 -3.153 1.00 0.00 C ATOM 1000 O ASN A 92 -11.648 -3.250 -3.864 1.00 0.00 O ATOM 1001 CB ASN A 92 -13.955 -2.722 -1.832 1.00 0.00 C ATOM 1002 CG ASN A 92 -14.398 -2.327 -0.420 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -14.092 -3.004 0.540 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -15.111 -1.246 -0.254 1.00 0.00 N ATOM 0 H ASN A 92 -11.629 -1.807 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.913 -4.533 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.734 -1.830 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -14.762 -3.247 -2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.410 -0.971 0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.369 -0.676 -1.060 1.00 0.00 H new ATOM 1011 N ALA A 93 -12.550 -5.245 -3.549 1.00 0.00 N ATOM 1012 CA ALA A 93 -12.139 -5.725 -4.904 1.00 0.00 C ATOM 1013 C ALA A 93 -13.151 -5.265 -5.954 1.00 0.00 C ATOM 1014 O ALA A 93 -14.350 -5.382 -5.761 1.00 0.00 O ATOM 1015 CB ALA A 93 -12.125 -7.251 -4.802 1.00 0.00 C ATOM 0 H ALA A 93 -13.058 -5.928 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.168 -5.331 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -11.832 -7.677 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.413 -7.558 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.120 -7.607 -4.536 1.00 0.00 H new ATOM 1320 N PRO A 115 -16.318 -9.981 -3.292 1.00 0.00 N ATOM 1321 CA PRO A 115 -16.175 -9.731 -1.833 1.00 0.00 C ATOM 1322 C PRO A 115 -15.078 -8.695 -1.573 1.00 0.00 C ATOM 1323 O PRO A 115 -14.317 -8.353 -2.462 1.00 0.00 O ATOM 1324 CB PRO A 115 -15.779 -11.093 -1.266 1.00 0.00 C ATOM 1325 CG PRO A 115 -15.145 -11.814 -2.410 1.00 0.00 C ATOM 1326 CD PRO A 115 -15.824 -11.325 -3.661 1.00 0.00 C ATOM 0 HA PRO A 115 -17.083 -9.335 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -15.085 -10.987 -0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -16.648 -11.633 -0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -14.074 -11.614 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -15.264 -12.892 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -15.131 -11.280 -4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -16.640 -11.984 -3.957 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.997 -8.198 -0.361 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.954 -7.179 -0.022 1.00 0.00 C ATOM 1336 C ILE A 116 -12.960 -7.756 0.993 1.00 0.00 C ATOM 1337 O ILE A 116 -13.309 -8.593 1.807 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.716 -5.990 0.578 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -15.517 -6.436 1.810 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -15.677 -5.421 -0.467 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -16.040 -5.204 2.552 1.00 0.00 C ATOM 0 H ILE A 116 -15.612 -8.456 0.411 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.377 -6.880 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 116 -13.997 -5.227 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -16.349 -7.071 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -14.887 -7.031 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -16.219 -4.576 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -15.112 -5.088 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -16.386 -6.192 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -16.609 -5.520 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -15.200 -4.586 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.685 -4.627 1.889 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.731 -7.303 0.949 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.698 -7.799 1.905 1.00 0.00 C ATOM 1355 C ALA A 117 -10.221 -6.626 2.764 1.00 0.00 C ATOM 1356 O ALA A 117 -10.243 -5.487 2.311 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.572 -8.341 1.019 1.00 0.00 C ATOM 0 H ALA A 117 -11.398 -6.604 0.285 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.064 -8.569 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.769 -8.727 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.958 -9.143 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.187 -7.539 0.389 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.802 -6.875 3.995 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.341 -5.728 4.854 1.00 0.00 C ATOM 1365 C GLU A 118 -7.825 -5.726 4.994 1.00 0.00 C ATOM 1366 O GLU A 118 -7.233 -6.659 5.497 1.00 0.00 O ATOM 1367 CB GLU A 118 -10.008 -5.898 6.222 1.00 0.00 C ATOM 1368 CG GLU A 118 -11.531 -5.925 6.060 1.00 0.00 C ATOM 1369 CD GLU A 118 -12.001 -7.347 5.739 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -11.364 -8.283 6.194 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.991 -7.476 5.037 1.00 0.00 O ATOM 0 H GLU A 118 -9.761 -7.797 4.429 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.618 -4.776 4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.667 -6.821 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.718 -5.080 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -12.008 -5.574 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.832 -5.245 5.263 1.00 0.00 H new ATOM 1378 N PHE A 119 -7.202 -4.663 4.567 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.725 -4.547 4.672 1.00 0.00 C ATOM 1380 C PHE A 119 -5.406 -3.809 5.962 1.00 0.00 C ATOM 1381 O PHE A 119 -5.888 -2.719 6.198 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.354 -3.781 3.377 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.927 -3.257 3.351 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.522 -2.264 4.241 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -3.030 -3.721 2.378 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.242 -1.734 4.175 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.733 -3.193 2.318 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.345 -2.194 3.219 1.00 0.00 C ATOM 0 H PHE A 119 -7.664 -3.858 4.143 1.00 0.00 H new ATOM 0 HA PHE A 119 -5.162 -5.478 4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.503 -4.441 2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -6.040 -2.942 3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.212 -1.904 4.990 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.338 -4.483 1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.942 -0.962 4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.035 -3.556 1.578 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.348 -1.781 3.171 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.585 -4.394 6.795 1.00 0.00 N ATOM 1399 CA ARG A 120 -4.214 -3.719 8.062 1.00 0.00 C ATOM 1400 C ARG A 120 -2.705 -3.623 8.129 1.00 0.00 C ATOM 1401 O ARG A 120 -2.016 -4.623 8.108 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.800 -4.608 9.177 1.00 0.00 C ATOM 1403 CG ARG A 120 -4.334 -4.130 10.564 1.00 0.00 C ATOM 1404 CD ARG A 120 -4.944 -5.025 11.647 1.00 0.00 C ATOM 1405 NE ARG A 120 -4.668 -4.318 12.927 1.00 0.00 N ATOM 1406 CZ ARG A 120 -4.404 -5.002 14.008 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -3.538 -5.977 13.968 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -5.008 -4.709 15.126 1.00 0.00 N ATOM 0 H ARG A 120 -4.159 -5.309 6.648 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.599 -2.703 8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.889 -4.589 9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.492 -5.642 9.022 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -3.246 -4.160 10.624 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -4.634 -3.094 10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.015 -5.159 11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -4.494 -6.018 11.639 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.685 -3.299 12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -3.067 -6.205 13.092 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.332 -6.511 14.812 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.685 -3.947 15.155 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.803 -5.242 15.971 1.00 0.00 H new ATOM 1422 N PHE A 121 -2.183 -2.427 8.214 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.711 -2.258 8.304 1.00 0.00 C ATOM 1424 C PHE A 121 -0.428 -1.603 9.641 1.00 0.00 C ATOM 1425 O PHE A 121 -0.802 -0.477 9.908 1.00 0.00 O ATOM 1426 CB PHE A 121 -0.279 -1.444 7.069 1.00 0.00 C ATOM 1427 CG PHE A 121 0.253 -2.406 5.987 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.443 -3.591 5.664 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.456 -2.131 5.328 1.00 0.00 C ATOM 1430 CE1 PHE A 121 0.044 -4.472 4.707 1.00 0.00 C ATOM 1431 CE2 PHE A 121 1.937 -3.024 4.354 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.227 -4.193 4.049 1.00 0.00 C ATOM 0 H PHE A 121 -2.719 -1.559 8.225 1.00 0.00 H new ATOM 0 HA PHE A 121 -0.137 -3.184 8.282 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.123 -0.873 6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.493 -0.725 7.344 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.370 -3.816 6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.013 -1.237 5.566 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.502 -5.375 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 121 2.860 -2.807 3.837 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.604 -4.875 3.301 1.00 0.00 H new ATOM 1442 N VAL A 122 0.150 -2.370 10.516 1.00 0.00 N ATOM 1443 CA VAL A 122 0.388 -1.903 11.910 1.00 0.00 C ATOM 1444 C VAL A 122 1.862 -2.163 12.305 1.00 0.00 C ATOM 1445 O VAL A 122 2.328 -3.284 12.238 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.611 -2.748 12.772 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -2.059 -2.354 12.466 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -0.534 -4.238 12.449 1.00 0.00 C ATOM 0 H VAL A 122 0.474 -3.318 10.323 1.00 0.00 H new ATOM 0 HA VAL A 122 0.226 -0.834 12.047 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.334 -2.555 13.808 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.736 -2.953 13.075 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.205 -1.298 12.693 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.269 -2.530 11.411 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.244 -4.782 13.071 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.777 -4.396 11.398 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.474 -4.601 12.647 1.00 0.00 H new ATOM 1458 N PRO A 123 2.572 -1.108 12.706 1.00 0.00 N ATOM 1459 CA PRO A 123 3.983 -1.260 13.103 1.00 0.00 C ATOM 1460 C PRO A 123 4.099 -1.508 14.607 1.00 0.00 C ATOM 1461 O PRO A 123 3.109 -1.601 15.308 1.00 0.00 O ATOM 1462 CB PRO A 123 4.593 0.094 12.750 1.00 0.00 C ATOM 1463 CG PRO A 123 3.456 1.077 12.787 1.00 0.00 C ATOM 1464 CD PRO A 123 2.160 0.302 12.824 1.00 0.00 C ATOM 0 HA PRO A 123 4.473 -2.101 12.612 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.372 0.370 13.461 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.057 0.069 11.764 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.539 1.720 13.663 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.486 1.725 11.911 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.617 0.481 13.752 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.500 0.593 12.007 1.00 0.00 H new ATOM 1472 N SER A 124 5.309 -1.594 15.101 1.00 0.00 N ATOM 1473 CA SER A 124 5.527 -1.815 16.562 1.00 0.00 C ATOM 1474 C SER A 124 6.343 -0.652 17.143 1.00 0.00 C ATOM 1475 O SER A 124 7.093 -0.823 18.087 1.00 0.00 O ATOM 1476 CB SER A 124 6.312 -3.122 16.655 1.00 0.00 C ATOM 1477 OG SER A 124 6.233 -3.623 17.983 1.00 0.00 O ATOM 0 H SER A 124 6.163 -1.520 14.548 1.00 0.00 H new ATOM 0 HA SER A 124 4.593 -1.867 17.121 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.909 -3.853 15.954 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.353 -2.955 16.378 1.00 0.00 H new ATOM 0 HG SER A 124 6.470 -2.913 18.615 1.00 0.00 H new ATOM 1483 N ASP A 125 6.201 0.523 16.573 1.00 0.00 N ATOM 1484 CA ASP A 125 6.961 1.711 17.069 1.00 0.00 C ATOM 1485 C ASP A 125 6.095 2.966 17.006 1.00 0.00 C ATOM 1486 O ASP A 125 5.539 3.296 15.975 1.00 0.00 O ATOM 1487 CB ASP A 125 8.159 1.834 16.124 1.00 0.00 C ATOM 1488 CG ASP A 125 9.404 2.252 16.914 1.00 0.00 C ATOM 1489 OD1 ASP A 125 9.252 2.994 17.871 1.00 0.00 O ATOM 1490 OD2 ASP A 125 10.485 1.821 16.550 1.00 0.00 O ATOM 0 H ASP A 125 5.586 0.708 15.780 1.00 0.00 H new ATOM 0 HA ASP A 125 7.269 1.598 18.108 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.338 0.883 15.623 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.947 2.568 15.347 1.00 0.00 H new ATOM 1495 N LYS A 126 5.992 3.682 18.109 1.00 0.00 N ATOM 1496 CA LYS A 126 5.173 4.945 18.124 1.00 0.00 C ATOM 1497 C LYS A 126 5.750 5.924 17.100 1.00 0.00 C ATOM 1498 O LYS A 126 5.031 6.637 16.422 1.00 0.00 O ATOM 1499 CB LYS A 126 5.306 5.507 19.542 1.00 0.00 C ATOM 1500 CG LYS A 126 4.455 6.772 19.668 1.00 0.00 C ATOM 1501 CD LYS A 126 4.523 7.294 21.104 1.00 0.00 C ATOM 1502 CE LYS A 126 3.542 8.458 21.272 1.00 0.00 C ATOM 1503 NZ LYS A 126 4.115 9.285 22.372 1.00 0.00 N ATOM 0 H LYS A 126 6.438 3.447 18.996 1.00 0.00 H new ATOM 0 HA LYS A 126 4.128 4.771 17.868 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.983 4.764 20.271 1.00 0.00 H new ATOM 0 HB3 LYS A 126 6.350 5.734 19.759 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.813 7.534 18.976 1.00 0.00 H new ATOM 0 HG3 LYS A 126 3.422 6.556 19.397 1.00 0.00 H new ATOM 0 HD2 LYS A 126 4.279 6.495 21.804 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.536 7.622 21.335 1.00 0.00 H new ATOM 0 HE2 LYS A 126 3.450 9.034 20.351 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.544 8.100 21.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 3.499 10.104 22.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.184 8.712 23.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.062 9.617 22.100 1.00 0.00 H new ATOM 1517 N SER A 127 7.056 5.917 16.969 1.00 0.00 N ATOM 1518 CA SER A 127 7.718 6.801 15.969 1.00 0.00 C ATOM 1519 C SER A 127 7.357 6.315 14.564 1.00 0.00 C ATOM 1520 O SER A 127 7.283 7.100 13.633 1.00 0.00 O ATOM 1521 CB SER A 127 9.223 6.659 16.217 1.00 0.00 C ATOM 1522 OG SER A 127 9.636 5.345 15.862 1.00 0.00 O ATOM 0 H SER A 127 7.690 5.334 17.515 1.00 0.00 H new ATOM 0 HA SER A 127 7.405 7.841 16.057 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.771 7.396 15.630 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.450 6.853 17.265 1.00 0.00 H new ATOM 0 HG SER A 127 10.599 5.251 16.018 1.00 0.00 H new ATOM 1528 N ALA A 128 7.118 5.023 14.410 1.00 0.00 N ATOM 1529 CA ALA A 128 6.743 4.491 13.060 1.00 0.00 C ATOM 1530 C ALA A 128 5.305 4.898 12.733 1.00 0.00 C ATOM 1531 O ALA A 128 4.973 5.162 11.590 1.00 0.00 O ATOM 1532 CB ALA A 128 6.862 2.970 13.165 1.00 0.00 C ATOM 0 H ALA A 128 7.167 4.327 15.154 1.00 0.00 H new ATOM 0 HA ALA A 128 7.383 4.882 12.269 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.601 2.518 12.208 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.886 2.702 13.425 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.184 2.604 13.936 1.00 0.00 H new ATOM 1538 N LEU A 129 4.458 4.951 13.733 1.00 0.00 N ATOM 1539 CA LEU A 129 3.029 5.345 13.500 1.00 0.00 C ATOM 1540 C LEU A 129 2.943 6.825 13.119 1.00 0.00 C ATOM 1541 O LEU A 129 2.257 7.185 12.179 1.00 0.00 O ATOM 1542 CB LEU A 129 2.311 5.095 14.829 1.00 0.00 C ATOM 1543 CG LEU A 129 0.819 5.379 14.666 1.00 0.00 C ATOM 1544 CD1 LEU A 129 0.122 4.147 14.085 1.00 0.00 C ATOM 1545 CD2 LEU A 129 0.212 5.711 16.032 1.00 0.00 C ATOM 0 H LEU A 129 4.693 4.738 14.702 1.00 0.00 H new ATOM 0 HA LEU A 129 2.580 4.776 12.686 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.463 4.064 15.148 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.730 5.734 15.606 1.00 0.00 H new ATOM 0 HG LEU A 129 0.683 6.224 13.991 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.942 4.352 13.970 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.553 3.910 13.113 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.258 3.301 14.758 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.853 5.914 15.917 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.350 4.866 16.706 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.706 6.590 16.446 1.00 0.00 H new ATOM 1557 N GLU A 130 3.636 7.680 13.842 1.00 0.00 N ATOM 1558 CA GLU A 130 3.600 9.142 13.520 1.00 0.00 C ATOM 1559 C GLU A 130 4.231 9.387 12.145 1.00 0.00 C ATOM 1560 O GLU A 130 3.782 10.233 11.390 1.00 0.00 O ATOM 1561 CB GLU A 130 4.383 9.841 14.642 1.00 0.00 C ATOM 1562 CG GLU A 130 5.846 9.380 14.662 1.00 0.00 C ATOM 1563 CD GLU A 130 6.609 10.162 15.733 1.00 0.00 C ATOM 1564 OE1 GLU A 130 6.126 10.219 16.853 1.00 0.00 O ATOM 1565 OE2 GLU A 130 7.663 10.689 15.417 1.00 0.00 O ATOM 0 H GLU A 130 4.222 7.427 14.638 1.00 0.00 H new ATOM 0 HA GLU A 130 2.583 9.531 13.468 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.340 10.921 14.502 1.00 0.00 H new ATOM 0 HB3 GLU A 130 3.917 9.626 15.604 1.00 0.00 H new ATOM 0 HG2 GLU A 130 5.899 8.311 14.869 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.303 9.539 13.685 1.00 0.00 H new ATOM 1572 N ALA A 131 5.258 8.636 11.814 1.00 0.00 N ATOM 1573 CA ALA A 131 5.920 8.802 10.480 1.00 0.00 C ATOM 1574 C ALA A 131 4.961 8.347 9.378 1.00 0.00 C ATOM 1575 O ALA A 131 4.890 8.946 8.320 1.00 0.00 O ATOM 1576 CB ALA A 131 7.160 7.904 10.519 1.00 0.00 C ATOM 0 H ALA A 131 5.665 7.916 12.411 1.00 0.00 H new ATOM 0 HA ALA A 131 6.190 9.838 10.276 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.693 7.978 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.815 8.224 11.329 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.856 6.871 10.685 1.00 0.00 H new ATOM 1582 N MET A 132 4.218 7.295 9.634 1.00 0.00 N ATOM 1583 CA MET A 132 3.241 6.787 8.617 1.00 0.00 C ATOM 1584 C MET A 132 2.100 7.792 8.457 1.00 0.00 C ATOM 1585 O MET A 132 1.595 8.000 7.369 1.00 0.00 O ATOM 1586 CB MET A 132 2.716 5.462 9.172 1.00 0.00 C ATOM 1587 CG MET A 132 1.899 4.744 8.095 1.00 0.00 C ATOM 1588 SD MET A 132 3.018 3.870 6.972 1.00 0.00 S ATOM 1589 CE MET A 132 1.863 3.696 5.591 1.00 0.00 C ATOM 0 H MET A 132 4.246 6.765 10.505 1.00 0.00 H new ATOM 0 HA MET A 132 3.699 6.651 7.637 1.00 0.00 H new ATOM 0 HB2 MET A 132 3.548 4.834 9.491 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.098 5.643 10.051 1.00 0.00 H new ATOM 0 HG2 MET A 132 1.207 4.040 8.557 1.00 0.00 H new ATOM 0 HG3 MET A 132 1.298 5.464 7.539 1.00 0.00 H new ATOM 0 HE1 MET A 132 2.354 3.173 4.770 1.00 0.00 H new ATOM 0 HE2 MET A 132 0.992 3.126 5.915 1.00 0.00 H new ATOM 0 HE3 MET A 132 1.546 4.683 5.255 1.00 0.00 H new ATOM 1599 N PHE A 133 1.700 8.416 9.541 1.00 0.00 N ATOM 1600 CA PHE A 133 0.591 9.422 9.475 1.00 0.00 C ATOM 1601 C PHE A 133 1.052 10.630 8.692 1.00 0.00 C ATOM 1602 O PHE A 133 0.305 11.178 7.902 1.00 0.00 O ATOM 1603 CB PHE A 133 0.254 9.755 10.944 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.425 8.571 11.674 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.712 7.341 11.025 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.770 8.722 13.024 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.329 6.298 11.725 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.387 7.674 13.720 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.666 6.464 13.071 1.00 0.00 C ATOM 0 H PHE A 133 2.095 8.271 10.470 1.00 0.00 H new ATOM 0 HA PHE A 133 -0.297 9.053 8.962 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.168 10.028 11.471 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -0.404 10.624 10.976 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.453 7.210 9.985 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.559 9.652 13.531 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.545 5.365 11.225 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.648 7.799 14.760 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.142 5.659 13.611 1.00 0.00 H new ATOM 1619 N THR A 134 2.289 11.017 8.868 1.00 0.00 N ATOM 1620 CA THR A 134 2.832 12.159 8.083 1.00 0.00 C ATOM 1621 C THR A 134 2.911 11.718 6.618 1.00 0.00 C ATOM 1622 O THR A 134 2.684 12.499 5.710 1.00 0.00 O ATOM 1623 CB THR A 134 4.227 12.439 8.650 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.132 12.648 10.053 1.00 0.00 O ATOM 1625 CG2 THR A 134 4.809 13.689 7.985 1.00 0.00 C ATOM 0 H THR A 134 2.945 10.590 9.522 1.00 0.00 H new ATOM 0 HA THR A 134 2.217 13.057 8.143 1.00 0.00 H new ATOM 0 HB THR A 134 4.878 11.588 8.451 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.104 11.782 10.512 1.00 0.00 H new ATOM 0 HG21 THR A 134 5.802 13.887 8.389 1.00 0.00 H new ATOM 0 HG22 THR A 134 4.881 13.529 6.909 1.00 0.00 H new ATOM 0 HG23 THR A 134 4.160 14.542 8.182 1.00 0.00 H new ATOM 1633 N ALA A 135 3.209 10.454 6.393 1.00 0.00 N ATOM 1634 CA ALA A 135 3.280 9.931 4.991 1.00 0.00 C ATOM 1635 C ALA A 135 1.875 9.897 4.382 1.00 0.00 C ATOM 1636 O ALA A 135 1.659 10.337 3.266 1.00 0.00 O ATOM 1637 CB ALA A 135 3.849 8.514 5.107 1.00 0.00 C ATOM 0 H ALA A 135 3.405 9.766 7.121 1.00 0.00 H new ATOM 0 HA ALA A 135 3.900 10.557 4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.928 8.071 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.837 8.555 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.188 7.906 5.724 1.00 0.00 H new ATOM 1643 N MET A 136 0.921 9.378 5.121 1.00 0.00 N ATOM 1644 CA MET A 136 -0.487 9.306 4.613 1.00 0.00 C ATOM 1645 C MET A 136 -1.093 10.708 4.573 1.00 0.00 C ATOM 1646 O MET A 136 -1.689 11.105 3.587 1.00 0.00 O ATOM 1647 CB MET A 136 -1.242 8.425 5.615 1.00 0.00 C ATOM 1648 CG MET A 136 -2.682 8.227 5.136 1.00 0.00 C ATOM 1649 SD MET A 136 -2.730 6.912 3.894 1.00 0.00 S ATOM 1650 CE MET A 136 -2.889 5.522 5.044 1.00 0.00 C ATOM 0 H MET A 136 1.059 9.000 6.058 1.00 0.00 H new ATOM 0 HA MET A 136 -0.540 8.898 3.604 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.745 7.460 5.714 1.00 0.00 H new ATOM 0 HB3 MET A 136 -1.236 8.890 6.601 1.00 0.00 H new ATOM 0 HG2 MET A 136 -3.324 7.970 5.978 1.00 0.00 H new ATOM 0 HG3 MET A 136 -3.067 9.155 4.713 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.062 4.604 4.483 1.00 0.00 H new ATOM 0 HE2 MET A 136 -1.973 5.425 5.626 1.00 0.00 H new ATOM 0 HE3 MET A 136 -3.729 5.700 5.716 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.940 11.453 5.642 1.00 0.00 N ATOM 1661 CA CYS A 137 -1.504 12.843 5.684 1.00 0.00 C ATOM 1662 C CYS A 137 -0.891 13.697 4.569 1.00 0.00 C ATOM 1663 O CYS A 137 -1.587 14.420 3.875 1.00 0.00 O ATOM 1664 CB CYS A 137 -1.117 13.403 7.056 1.00 0.00 C ATOM 1665 SG CYS A 137 -2.030 14.936 7.362 1.00 0.00 S ATOM 0 H CYS A 137 -0.450 11.160 6.487 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.584 12.847 5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -1.340 12.673 7.834 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -0.044 13.592 7.094 1.00 0.00 H new ATOM 0 HG CYS A 137 -1.703 15.410 8.527 1.00 0.00 H new ATOM 1671 N GLU A 138 0.408 13.608 4.389 1.00 0.00 N ATOM 1672 CA GLU A 138 1.085 14.404 3.316 1.00 0.00 C ATOM 1673 C GLU A 138 0.660 13.893 1.945 1.00 0.00 C ATOM 1674 O GLU A 138 0.511 14.652 1.002 1.00 0.00 O ATOM 1675 CB GLU A 138 2.586 14.197 3.528 1.00 0.00 C ATOM 1676 CG GLU A 138 3.367 15.065 2.538 1.00 0.00 C ATOM 1677 CD GLU A 138 4.863 14.778 2.674 1.00 0.00 C ATOM 1678 OE1 GLU A 138 5.210 13.639 2.939 1.00 0.00 O ATOM 1679 OE2 GLU A 138 5.641 15.705 2.509 1.00 0.00 O ATOM 0 H GLU A 138 1.029 13.016 4.941 1.00 0.00 H new ATOM 0 HA GLU A 138 0.821 15.461 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 138 2.859 14.458 4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.842 13.147 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 138 3.038 14.859 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.170 16.120 2.729 1.00 0.00 H new ATOM 1686 N CYS A 139 0.463 12.611 1.842 1.00 0.00 N ATOM 1687 CA CYS A 139 0.037 12.001 0.542 1.00 0.00 C ATOM 1688 C CYS A 139 -1.407 12.399 0.233 1.00 0.00 C ATOM 1689 O CYS A 139 -1.742 12.723 -0.894 1.00 0.00 O ATOM 1690 CB CYS A 139 0.147 10.489 0.745 1.00 0.00 C ATOM 1691 SG CYS A 139 -0.183 9.646 -0.823 1.00 0.00 S ATOM 0 H CYS A 139 0.579 11.948 2.608 1.00 0.00 H new ATOM 0 HA CYS A 139 0.652 12.337 -0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 139 1.142 10.231 1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -0.563 10.160 1.504 1.00 0.00 H new ATOM 0 HG CYS A 139 -0.088 8.361 -0.653 1.00 0.00 H new ATOM 1697 N GLN A 140 -2.259 12.378 1.230 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.692 12.760 1.014 1.00 0.00 C ATOM 1699 C GLN A 140 -3.789 14.235 0.627 1.00 0.00 C ATOM 1700 O GLN A 140 -4.560 14.607 -0.241 1.00 0.00 O ATOM 1701 CB GLN A 140 -4.392 12.518 2.360 1.00 0.00 C ATOM 1702 CG GLN A 140 -5.127 11.177 2.325 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.879 10.976 3.631 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.716 11.772 4.002 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.603 9.927 4.347 1.00 0.00 N ATOM 0 H GLN A 140 -2.024 12.112 2.186 1.00 0.00 H new ATOM 0 HA GLN A 140 -4.149 12.181 0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.660 12.521 3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -5.096 13.324 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.822 11.153 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -4.416 10.365 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.898 9.263 4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.092 9.768 5.228 1.00 0.00 H new ATOM 1714 N ALA A 141 -3.006 15.075 1.265 1.00 0.00 N ATOM 1715 CA ALA A 141 -3.039 16.539 0.942 1.00 0.00 C ATOM 1716 C ALA A 141 -2.448 16.781 -0.450 1.00 0.00 C ATOM 1717 O ALA A 141 -2.930 17.612 -1.198 1.00 0.00 O ATOM 1718 CB ALA A 141 -2.179 17.216 2.013 1.00 0.00 C ATOM 0 H ALA A 141 -2.345 14.810 1.996 1.00 0.00 H new ATOM 0 HA ALA A 141 -4.055 16.933 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -2.159 18.292 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.601 17.017 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -1.164 16.822 1.967 1.00 0.00 H new ATOM 1724 N LEU A 142 -1.409 16.056 -0.795 1.00 0.00 N ATOM 1725 CA LEU A 142 -0.772 16.229 -2.141 1.00 0.00 C ATOM 1726 C LEU A 142 -1.692 15.696 -3.241 1.00 0.00 C ATOM 1727 O LEU A 142 -1.775 16.262 -4.317 1.00 0.00 O ATOM 1728 CB LEU A 142 0.522 15.419 -2.090 1.00 0.00 C ATOM 1729 CG LEU A 142 1.498 15.958 -3.148 1.00 0.00 C ATOM 1730 CD1 LEU A 142 2.917 15.941 -2.589 1.00 0.00 C ATOM 1731 CD2 LEU A 142 1.431 15.085 -4.402 1.00 0.00 C ATOM 0 H LEU A 142 -0.974 15.350 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.583 17.279 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.969 15.487 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.313 14.365 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 142 1.222 16.981 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.608 16.323 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.965 16.568 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 142 3.193 14.919 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 142 2.124 15.469 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.704 14.061 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.418 15.102 -4.803 1.00 0.00 H new