USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 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 HE2:sc= -7.63! C(o=-9.8!,f=-8.1!) USER MOD Set 1.2: A 201 HEC O2D : rot 178:sc= -0.42! USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.818 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0812 F(o=-0.51,f=0.081) USER MOD Single : A 41 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.1!) USER MOD Single : A 44 ASN : amide:sc= -0.139 K(o=-0.14,f=-3.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00085 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.146 F(o=-2.4!,f=-0.15) USER MOD Single : A 64 THR OG1 : rot -160:sc= -0.0689 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -154:sc= -0.121 (180deg=-0.73) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0389) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 60:sc= 0.117 USER MOD Single : A 201 HEC O2A : rot -144:sc= -0.091 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -11.452 -7.256 -6.003 1.00 1.00 N ATOM 2 CA ALA A 25 -12.069 -8.565 -5.868 1.00 1.00 C ATOM 3 C ALA A 25 -11.001 -9.592 -5.487 1.00 1.00 C ATOM 4 O ALA A 25 -10.504 -10.323 -6.343 1.00 1.00 O ATOM 5 CB ALA A 25 -12.788 -8.927 -7.170 1.00 1.00 C ATOM 0 HA ALA A 25 -12.816 -8.557 -5.074 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -13.251 -9.909 -7.069 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.557 -8.183 -7.380 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -12.069 -8.947 -7.989 1.00 1.00 H new ATOM 11 N GLY A 26 -10.678 -9.613 -4.202 1.00 1.00 N ATOM 12 CA GLY A 26 -9.678 -10.538 -3.698 1.00 1.00 C ATOM 13 C GLY A 26 -8.598 -9.799 -2.905 1.00 1.00 C ATOM 14 O GLY A 26 -8.583 -9.847 -1.676 1.00 1.00 O ATOM 0 H GLY A 26 -11.091 -9.004 -3.495 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.155 -11.284 -3.062 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.221 -11.074 -4.530 1.00 1.00 H new ATOM 18 N GLY A 27 -7.720 -9.133 -3.641 1.00 1.00 N ATOM 19 CA GLY A 27 -6.640 -8.384 -3.021 1.00 1.00 C ATOM 20 C GLY A 27 -7.187 -7.277 -2.118 1.00 1.00 C ATOM 21 O GLY A 27 -6.518 -6.851 -1.178 1.00 1.00 O ATOM 0 H GLY A 27 -7.734 -9.097 -4.660 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.014 -9.058 -2.437 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.005 -7.948 -3.793 1.00 1.00 H new ATOM 25 N GLY A 28 -8.397 -6.842 -2.436 1.00 1.00 N ATOM 26 CA GLY A 28 -9.042 -5.793 -1.665 1.00 1.00 C ATOM 27 C GLY A 28 -9.400 -6.285 -0.262 1.00 1.00 C ATOM 28 O GLY A 28 -9.162 -5.588 0.724 1.00 1.00 O ATOM 0 H GLY A 28 -8.948 -7.197 -3.217 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.380 -4.930 -1.594 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -9.944 -5.461 -2.179 1.00 1.00 H new ATOM 32 N GLU A 29 -9.967 -7.481 -0.215 1.00 1.00 N ATOM 33 CA GLU A 29 -10.361 -8.075 1.051 1.00 1.00 C ATOM 34 C GLU A 29 -9.182 -8.073 2.027 1.00 1.00 C ATOM 35 O GLU A 29 -9.378 -8.083 3.242 1.00 1.00 O ATOM 36 CB GLU A 29 -10.903 -9.491 0.848 1.00 1.00 C ATOM 37 CG GLU A 29 -11.386 -10.088 2.172 1.00 1.00 C ATOM 38 CD GLU A 29 -12.771 -9.553 2.541 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.640 -9.425 1.666 1.00 1.00 O ATOM 40 OE2 GLU A 29 -12.930 -9.266 3.789 1.00 1.00 O ATOM 0 H GLU A 29 -10.163 -8.056 -1.035 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.163 -7.473 1.479 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.725 -9.471 0.133 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.125 -10.124 0.422 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.421 -11.175 2.094 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.676 -9.848 2.964 1.00 1.00 H new ATOM 48 N LEU A 30 -7.985 -8.060 1.460 1.00 1.00 N ATOM 49 CA LEU A 30 -6.775 -8.057 2.265 1.00 1.00 C ATOM 50 C LEU A 30 -6.432 -6.618 2.656 1.00 1.00 C ATOM 51 O LEU A 30 -6.031 -6.358 3.789 1.00 1.00 O ATOM 52 CB LEU A 30 -5.644 -8.782 1.534 1.00 1.00 C ATOM 53 CG LEU A 30 -5.932 -10.225 1.116 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.645 -10.944 0.704 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.680 -10.976 2.219 1.00 1.00 C ATOM 0 H LEU A 30 -7.827 -8.051 0.452 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.931 -8.611 3.191 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.390 -8.210 0.642 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.763 -8.780 2.176 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.583 -10.204 0.242 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.878 -11.968 0.412 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.189 -10.421 -0.137 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.950 -10.956 1.544 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.872 -11.999 1.896 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.075 -10.989 3.125 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.627 -10.476 2.422 1.00 1.00 H new ATOM 67 N PHE A 31 -6.603 -5.720 1.696 1.00 1.00 N ATOM 68 CA PHE A 31 -6.317 -4.315 1.926 1.00 1.00 C ATOM 69 C PHE A 31 -7.401 -3.668 2.790 1.00 1.00 C ATOM 70 O PHE A 31 -7.183 -2.609 3.377 1.00 1.00 O ATOM 71 CB PHE A 31 -6.298 -3.632 0.557 1.00 1.00 C ATOM 72 CG PHE A 31 -6.309 -2.104 0.623 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.202 -1.399 0.265 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.426 -1.449 1.040 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.213 0.019 0.327 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.436 -0.031 1.102 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.329 0.674 0.744 1.00 1.00 C ATOM 0 H PHE A 31 -6.936 -5.939 0.757 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.365 -4.210 2.447 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.410 -3.955 0.014 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.162 -3.967 -0.016 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.315 -1.918 -0.066 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.305 -2.008 1.324 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.334 0.578 0.043 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.323 0.489 1.434 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.337 1.753 0.791 1.00 1.00 H new ATOM 87 N ALA A 32 -8.546 -4.332 2.841 1.00 1.00 N ATOM 88 CA ALA A 32 -9.665 -3.836 3.624 1.00 1.00 C ATOM 89 C ALA A 32 -9.670 -4.523 4.991 1.00 1.00 C ATOM 90 O ALA A 32 -10.720 -4.946 5.473 1.00 1.00 O ATOM 91 CB ALA A 32 -10.967 -4.061 2.853 1.00 1.00 C ATOM 0 H ALA A 32 -8.723 -5.210 2.353 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.569 -2.764 3.795 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.807 -3.689 3.440 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.924 -3.528 1.903 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.099 -5.127 2.665 1.00 1.00 H new ATOM 97 N THR A 33 -8.486 -4.613 5.577 1.00 1.00 N ATOM 98 CA THR A 33 -8.341 -5.241 6.879 1.00 1.00 C ATOM 99 C THR A 33 -6.922 -5.039 7.414 1.00 1.00 C ATOM 100 O THR A 33 -6.731 -4.807 8.607 1.00 1.00 O ATOM 101 CB THR A 33 -8.733 -6.714 6.740 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.142 -6.719 6.953 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.181 -7.577 7.876 1.00 1.00 C ATOM 0 H THR A 33 -7.617 -4.261 5.174 1.00 1.00 H new ATOM 0 HA THR A 33 -9.001 -4.781 7.615 1.00 1.00 H new ATOM 0 HB THR A 33 -8.372 -7.097 5.786 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.592 -6.330 6.174 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.488 -8.612 7.729 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.093 -7.519 7.881 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.568 -7.216 8.829 1.00 1.00 H new ATOM 111 N HIS A 34 -5.962 -5.134 6.505 1.00 1.00 N ATOM 112 CA HIS A 34 -4.566 -4.964 6.871 1.00 1.00 C ATOM 113 C HIS A 34 -4.094 -3.569 6.458 1.00 1.00 C ATOM 114 O HIS A 34 -2.968 -3.175 6.761 1.00 1.00 O ATOM 115 CB HIS A 34 -3.708 -6.081 6.273 1.00 1.00 C ATOM 116 CG HIS A 34 -4.210 -7.472 6.580 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.940 -8.342 5.825 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -3.971 -8.106 7.786 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -5.136 -9.449 6.532 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.536 -9.304 7.748 1.00 1.00 N flip ATOM 0 H HIS A 34 -6.124 -5.326 5.516 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.458 -5.041 7.953 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.664 -5.952 5.192 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.689 -5.983 6.647 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.278 -8.171 4.878 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.418 -7.694 8.617 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.681 -10.320 6.199 1.00 1.00 H new ATOM 128 N CYS A 35 -4.978 -2.858 5.773 1.00 1.00 N ATOM 129 CA CYS A 35 -4.665 -1.515 5.316 1.00 1.00 C ATOM 130 C CYS A 35 -5.838 -0.600 5.676 1.00 1.00 C ATOM 131 O CYS A 35 -5.639 0.489 6.212 1.00 1.00 O ATOM 132 CB CYS A 35 -4.357 -1.484 3.818 1.00 1.00 C ATOM 133 SG CYS A 35 -3.344 -2.884 3.214 1.00 1.00 S ATOM 0 H CYS A 35 -5.911 -3.187 5.524 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.762 -1.161 5.813 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.298 -1.471 3.268 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.840 -0.553 3.587 1.00 1.00 H new ATOM 138 N ALA A 36 -7.035 -1.076 5.366 1.00 1.00 N ATOM 139 CA ALA A 36 -8.240 -0.315 5.650 1.00 1.00 C ATOM 140 C ALA A 36 -8.083 0.396 6.997 1.00 1.00 C ATOM 141 O ALA A 36 -8.611 1.490 7.190 1.00 1.00 O ATOM 142 CB ALA A 36 -9.452 -1.247 5.621 1.00 1.00 C ATOM 0 H ALA A 36 -7.196 -1.979 4.921 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.399 0.449 4.890 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.355 -0.676 5.834 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.536 -1.704 4.635 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.330 -2.026 6.373 1.00 1.00 H new ATOM 148 N GLY A 37 -7.356 -0.255 7.892 1.00 1.00 N ATOM 149 CA GLY A 37 -7.123 0.300 9.214 1.00 1.00 C ATOM 150 C GLY A 37 -5.970 1.306 9.192 1.00 1.00 C ATOM 151 O GLY A 37 -5.089 1.264 10.048 1.00 1.00 O ATOM 0 H GLY A 37 -6.920 -1.162 7.728 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.029 0.788 9.572 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.896 -0.504 9.915 1.00 1.00 H new ATOM 155 N CYS A 38 -6.015 2.186 8.202 1.00 1.00 N ATOM 156 CA CYS A 38 -4.985 3.201 8.057 1.00 1.00 C ATOM 157 C CYS A 38 -5.158 3.868 6.691 1.00 1.00 C ATOM 158 O CYS A 38 -4.867 5.053 6.534 1.00 1.00 O ATOM 159 CB CYS A 38 -3.583 2.613 8.231 1.00 1.00 C ATOM 160 SG CYS A 38 -2.872 3.155 9.828 1.00 1.00 S ATOM 0 H CYS A 38 -6.748 2.217 7.493 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.094 3.949 8.843 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.629 1.525 8.194 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -2.941 2.933 7.410 1.00 1.00 H new ATOM 165 N HIS A 39 -5.631 3.079 5.738 1.00 1.00 N ATOM 166 CA HIS A 39 -5.846 3.579 4.390 1.00 1.00 C ATOM 167 C HIS A 39 -7.334 3.497 4.044 1.00 1.00 C ATOM 168 O HIS A 39 -7.750 2.821 3.106 1.00 1.00 O ATOM 169 CB HIS A 39 -4.963 2.834 3.387 1.00 1.00 C ATOM 170 CG HIS A 39 -3.500 3.201 3.466 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.035 4.484 3.236 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.405 2.440 3.753 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.718 4.483 3.379 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.329 3.216 3.700 1.00 1.00 N ATOM 0 H HIS A 39 -5.872 2.097 5.872 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.553 4.627 4.336 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.068 1.762 3.553 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.324 3.038 2.379 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.609 5.293 2.997 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.412 1.385 3.984 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.066 5.336 3.262 1.00 1.00 H new ATOM 182 N PRO A 40 -8.137 4.213 4.836 1.00 1.00 N ATOM 183 CA PRO A 40 -9.575 4.283 4.690 1.00 1.00 C ATOM 184 C PRO A 40 -9.925 5.145 3.485 1.00 1.00 C ATOM 185 O PRO A 40 -9.416 6.261 3.386 1.00 1.00 O ATOM 186 CB PRO A 40 -10.069 4.924 5.984 1.00 1.00 C ATOM 187 CG PRO A 40 -8.863 5.925 6.288 1.00 1.00 C ATOM 188 CD PRO A 40 -7.681 5.019 5.947 1.00 1.00 C ATOM 0 HA PRO A 40 -10.033 3.307 4.526 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.018 5.445 5.853 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.213 4.194 6.780 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.896 6.820 5.666 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.848 6.258 7.326 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.801 5.603 5.676 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.402 4.397 6.798 1.00 1.00 H new ATOM 196 N GLN A 41 -10.769 4.624 2.607 1.00 1.00 N ATOM 197 CA GLN A 41 -11.167 5.365 1.421 1.00 1.00 C ATOM 198 C GLN A 41 -9.941 5.985 0.748 1.00 1.00 C ATOM 199 O GLN A 41 -9.932 7.178 0.447 1.00 1.00 O ATOM 200 CB GLN A 41 -12.204 6.435 1.766 1.00 1.00 C ATOM 201 CG GLN A 41 -13.386 6.385 0.795 1.00 1.00 C ATOM 202 CD GLN A 41 -14.443 5.385 1.269 1.00 1.00 C ATOM 203 OE1 GLN A 41 -14.498 5.003 2.427 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.276 4.984 0.313 1.00 1.00 N ATOM 0 H GLN A 41 -11.188 3.698 2.692 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.630 4.671 0.720 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.560 6.287 2.786 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.741 7.421 1.730 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.831 7.376 0.707 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.034 6.105 -0.198 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.174 5.344 -0.636 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -16.017 4.317 0.529 1.00 1.00 H new ATOM 213 N GLY A 42 -8.938 5.148 0.530 1.00 1.00 N ATOM 214 CA GLY A 42 -7.710 5.600 -0.103 1.00 1.00 C ATOM 215 C GLY A 42 -7.133 6.815 0.626 1.00 1.00 C ATOM 216 O GLY A 42 -6.314 7.546 0.070 1.00 1.00 O ATOM 0 H GLY A 42 -8.950 4.159 0.780 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.979 4.792 -0.105 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.906 5.855 -1.144 1.00 1.00 H new ATOM 220 N GLY A 43 -7.581 6.994 1.860 1.00 1.00 N ATOM 221 CA GLY A 43 -7.119 8.107 2.670 1.00 1.00 C ATOM 222 C GLY A 43 -6.042 7.656 3.659 1.00 1.00 C ATOM 223 O GLY A 43 -5.416 6.615 3.468 1.00 1.00 O ATOM 0 H GLY A 43 -8.260 6.386 2.318 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.720 8.890 2.025 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.959 8.539 3.214 1.00 1.00 H new ATOM 227 N ASN A 44 -5.860 8.462 4.694 1.00 1.00 N ATOM 228 CA ASN A 44 -4.869 8.160 5.713 1.00 1.00 C ATOM 229 C ASN A 44 -5.265 8.844 7.023 1.00 1.00 C ATOM 230 O ASN A 44 -5.922 9.884 7.010 1.00 1.00 O ATOM 231 CB ASN A 44 -3.487 8.677 5.309 1.00 1.00 C ATOM 232 CG ASN A 44 -2.520 7.518 5.059 1.00 1.00 C ATOM 233 OD1 ASN A 44 -2.739 6.392 5.474 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.440 7.856 4.359 1.00 1.00 N ATOM 0 H ASN A 44 -6.382 9.324 4.849 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.828 7.077 5.832 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.571 9.286 4.409 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.092 9.322 6.094 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -0.734 7.153 4.140 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.318 8.818 4.042 1.00 1.00 H new ATOM 241 N THR A 45 -4.849 8.232 8.122 1.00 1.00 N ATOM 242 CA THR A 45 -5.152 8.769 9.438 1.00 1.00 C ATOM 243 C THR A 45 -3.867 9.197 10.149 1.00 1.00 C ATOM 244 O THR A 45 -3.907 9.657 11.289 1.00 1.00 O ATOM 245 CB THR A 45 -5.949 7.714 10.207 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.101 6.569 10.207 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.196 7.254 9.449 1.00 1.00 C ATOM 0 H THR A 45 -4.305 7.369 8.128 1.00 1.00 H new ATOM 0 HA THR A 45 -5.762 9.670 9.366 1.00 1.00 H new ATOM 0 HB THR A 45 -6.242 8.117 11.177 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.540 5.837 10.687 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.725 6.505 10.039 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.851 8.108 9.274 1.00 1.00 H new ATOM 0 HG23 THR A 45 -6.902 6.821 8.493 1.00 1.00 H new ATOM 255 N VAL A 46 -2.756 9.031 9.445 1.00 1.00 N ATOM 256 CA VAL A 46 -1.461 9.394 9.995 1.00 1.00 C ATOM 257 C VAL A 46 -0.930 10.629 9.264 1.00 1.00 C ATOM 258 O VAL A 46 -0.634 11.646 9.890 1.00 1.00 O ATOM 259 CB VAL A 46 -0.507 8.200 9.920 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.871 8.563 10.476 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.090 6.987 10.649 1.00 1.00 C ATOM 0 H VAL A 46 -2.726 8.650 8.499 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.553 9.654 11.050 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.385 7.934 8.870 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.529 7.697 10.411 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.293 9.384 9.896 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.774 8.868 11.518 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.393 6.152 10.581 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.255 7.237 11.697 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.038 6.707 10.189 1.00 1.00 H new ATOM 271 N HIS A 47 -0.826 10.500 7.949 1.00 1.00 N ATOM 272 CA HIS A 47 -0.336 11.593 7.127 1.00 1.00 C ATOM 273 C HIS A 47 -1.439 12.049 6.169 1.00 1.00 C ATOM 274 O HIS A 47 -1.899 11.308 5.304 1.00 1.00 O ATOM 275 CB HIS A 47 0.951 11.193 6.402 1.00 1.00 C ATOM 276 CG HIS A 47 2.145 11.037 7.312 1.00 1.00 C ATOM 277 ND1 HIS A 47 2.263 11.191 8.663 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.400 10.682 6.849 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.521 10.943 9.005 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 4.228 10.627 7.882 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.073 9.655 7.433 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.079 12.442 7.760 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.783 10.253 5.876 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.179 11.945 5.646 1.00 1.00 H new ATOM 0 HD1 HIS A 47 1.512 11.452 9.301 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.660 10.483 5.820 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.920 10.985 10.008 1.00 1.00 H new ATOM 288 N PRO A 48 -1.857 13.304 6.347 1.00 1.00 N ATOM 289 CA PRO A 48 -2.887 13.941 5.555 1.00 1.00 C ATOM 290 C PRO A 48 -2.263 14.576 4.321 1.00 1.00 C ATOM 291 O PRO A 48 -2.931 15.369 3.658 1.00 1.00 O ATOM 292 CB PRO A 48 -3.487 15.003 6.474 1.00 1.00 C ATOM 293 CG PRO A 48 -2.198 15.459 7.244 1.00 1.00 C ATOM 294 CD PRO A 48 -1.337 14.203 7.355 1.00 1.00 C ATOM 0 HA PRO A 48 -3.645 13.241 5.203 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -3.952 15.819 5.920 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.248 14.596 7.140 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -1.675 16.249 6.705 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.446 15.855 8.229 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.285 14.428 7.179 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.406 13.763 8.350 1.00 1.00 H new ATOM 302 N GLU A 49 -1.016 14.227 4.039 1.00 1.00 N ATOM 303 CA GLU A 49 -0.327 14.777 2.884 1.00 1.00 C ATOM 304 C GLU A 49 0.257 13.652 2.028 1.00 1.00 C ATOM 305 O GLU A 49 0.908 13.910 1.017 1.00 1.00 O ATOM 306 CB GLU A 49 0.762 15.762 3.313 1.00 1.00 C ATOM 307 CG GLU A 49 1.843 15.059 4.138 1.00 1.00 C ATOM 308 CD GLU A 49 3.195 15.756 3.978 1.00 1.00 C ATOM 309 OE1 GLU A 49 3.636 16.001 2.845 1.00 1.00 O ATOM 310 OE2 GLU A 49 3.793 16.047 5.083 1.00 1.00 O ATOM 0 H GLU A 49 -0.465 13.570 4.591 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.051 15.326 2.282 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.212 16.219 2.432 1.00 1.00 H new ATOM 0 HB3 GLU A 49 0.319 16.567 3.899 1.00 1.00 H new ATOM 0 HG2 GLU A 49 1.556 15.052 5.189 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.927 14.019 3.823 1.00 1.00 H new ATOM 318 N LYS A 50 0.003 12.427 2.465 1.00 1.00 N ATOM 319 CA LYS A 50 0.496 11.261 1.752 1.00 1.00 C ATOM 320 C LYS A 50 -0.663 10.294 1.501 1.00 1.00 C ATOM 321 O LYS A 50 -0.955 9.439 2.336 1.00 1.00 O ATOM 322 CB LYS A 50 1.671 10.631 2.502 1.00 1.00 C ATOM 323 CG LYS A 50 2.621 11.705 3.035 1.00 1.00 C ATOM 324 CD LYS A 50 4.081 11.273 2.879 1.00 1.00 C ATOM 325 CE LYS A 50 4.627 11.672 1.507 1.00 1.00 C ATOM 326 NZ LYS A 50 5.371 12.948 1.596 1.00 1.00 N ATOM 0 H LYS A 50 -0.538 12.217 3.304 1.00 1.00 H new ATOM 0 HA LYS A 50 0.888 11.549 0.777 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.297 10.028 3.330 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.213 9.959 1.837 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.456 12.640 2.500 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.405 11.897 4.086 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.685 11.731 3.662 1.00 1.00 H new ATOM 0 HD3 LYS A 50 4.160 10.193 3.006 1.00 1.00 H new ATOM 0 HE2 LYS A 50 5.282 10.888 1.128 1.00 1.00 H new ATOM 0 HE3 LYS A 50 3.806 11.772 0.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 5.735 13.204 0.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 4.736 13.697 1.937 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 6.166 12.841 2.257 1.00 1.00 H new ATOM 339 N THR A 51 -1.293 10.462 0.348 1.00 1.00 N ATOM 340 CA THR A 51 -2.413 9.615 -0.023 1.00 1.00 C ATOM 341 C THR A 51 -1.983 8.592 -1.077 1.00 1.00 C ATOM 342 O THR A 51 -0.800 8.485 -1.396 1.00 1.00 O ATOM 343 CB THR A 51 -3.557 10.519 -0.487 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.092 11.064 -1.719 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.739 11.742 0.415 1.00 1.00 C ATOM 0 H THR A 51 -1.049 11.173 -0.342 1.00 1.00 H new ATOM 0 HA THR A 51 -2.765 9.031 0.828 1.00 1.00 H new ATOM 0 HB THR A 51 -4.484 9.946 -0.514 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.774 11.662 -2.090 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.563 12.350 0.042 1.00 1.00 H new ATOM 0 HG22 THR A 51 -3.960 11.415 1.431 1.00 1.00 H new ATOM 0 HG23 THR A 51 -2.823 12.333 0.416 1.00 1.00 H new ATOM 353 N LEU A 52 -2.967 7.865 -1.586 1.00 1.00 N ATOM 354 CA LEU A 52 -2.705 6.855 -2.597 1.00 1.00 C ATOM 355 C LEU A 52 -2.908 7.463 -3.986 1.00 1.00 C ATOM 356 O LEU A 52 -3.096 6.740 -4.963 1.00 1.00 O ATOM 357 CB LEU A 52 -3.555 5.608 -2.341 1.00 1.00 C ATOM 358 CG LEU A 52 -3.282 4.867 -1.030 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.182 3.638 -0.898 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.800 4.509 -0.902 1.00 1.00 C ATOM 0 H LEU A 52 -3.947 7.955 -1.317 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.668 6.523 -2.543 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.605 5.899 -2.359 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.402 4.913 -3.167 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.525 5.534 -0.203 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.968 3.129 0.042 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.227 3.949 -0.913 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -3.994 2.958 -1.729 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.633 3.983 0.038 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.507 3.868 -1.733 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.203 5.421 -0.919 1.00 1.00 H new ATOM 372 N ALA A 53 -2.864 8.787 -4.029 1.00 1.00 N ATOM 373 CA ALA A 53 -3.041 9.501 -5.282 1.00 1.00 C ATOM 374 C ALA A 53 -1.705 9.559 -6.024 1.00 1.00 C ATOM 375 O ALA A 53 -0.669 9.844 -5.424 1.00 1.00 O ATOM 376 CB ALA A 53 -3.613 10.892 -5.000 1.00 1.00 C ATOM 0 H ALA A 53 -2.708 9.383 -3.216 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.752 8.980 -5.924 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.746 11.428 -5.940 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.576 10.795 -4.498 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.925 11.445 -4.361 1.00 1.00 H new ATOM 382 N ARG A 54 -1.771 9.284 -7.319 1.00 1.00 N ATOM 383 CA ARG A 54 -0.579 9.301 -8.149 1.00 1.00 C ATOM 384 C ARG A 54 0.165 10.627 -7.983 1.00 1.00 C ATOM 385 O ARG A 54 1.395 10.656 -7.965 1.00 1.00 O ATOM 386 CB ARG A 54 -0.933 9.104 -9.625 1.00 1.00 C ATOM 387 CG ARG A 54 0.327 9.091 -10.493 1.00 1.00 C ATOM 388 CD ARG A 54 0.055 9.717 -11.863 1.00 1.00 C ATOM 389 NE ARG A 54 -0.761 8.798 -12.687 1.00 1.00 N ATOM 390 CZ ARG A 54 -1.169 9.069 -13.945 1.00 1.00 C ATOM 391 NH1 ARG A 54 -1.895 8.175 -14.589 1.00 1.00 N ATOM 392 NH2 ARG A 54 -0.840 10.238 -14.535 1.00 1.00 N ATOM 0 H ARG A 54 -2.632 9.048 -7.813 1.00 1.00 H new ATOM 0 HA ARG A 54 0.061 8.479 -7.827 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.475 8.167 -9.751 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.597 9.903 -9.953 1.00 1.00 H new ATOM 0 HG2 ARG A 54 1.125 9.638 -9.991 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.675 8.066 -10.620 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.465 10.667 -11.741 1.00 1.00 H new ATOM 0 HD3 ARG A 54 0.997 9.931 -12.367 1.00 1.00 H new ATOM 0 HE ARG A 54 -1.032 7.903 -12.279 1.00 1.00 H new ATOM 0 HH11 ARG A 54 -2.140 7.295 -14.136 1.00 1.00 H new ATOM 0 HH12 ARG A 54 -2.211 8.364 -15.540 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -0.279 10.924 -14.030 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -1.152 10.435 -15.486 1.00 1.00 H new ATOM 402 N ALA A 55 -0.612 11.694 -7.866 1.00 1.00 N ATOM 403 CA ALA A 55 -0.043 13.021 -7.701 1.00 1.00 C ATOM 404 C ALA A 55 1.042 12.976 -6.623 1.00 1.00 C ATOM 405 O ALA A 55 2.175 13.392 -6.859 1.00 1.00 O ATOM 406 CB ALA A 55 -1.155 14.017 -7.368 1.00 1.00 C ATOM 0 H ALA A 55 -1.631 11.666 -7.882 1.00 1.00 H new ATOM 0 HA ALA A 55 0.426 13.355 -8.627 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.727 15.012 -7.244 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.884 14.033 -8.179 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.648 13.716 -6.443 1.00 1.00 H new ATOM 412 N ARG A 56 0.656 12.466 -5.463 1.00 1.00 N ATOM 413 CA ARG A 56 1.582 12.361 -4.347 1.00 1.00 C ATOM 414 C ARG A 56 2.454 11.113 -4.497 1.00 1.00 C ATOM 415 O ARG A 56 3.582 11.078 -4.007 1.00 1.00 O ATOM 416 CB ARG A 56 0.833 12.293 -3.015 1.00 1.00 C ATOM 417 CG ARG A 56 0.555 13.696 -2.471 1.00 1.00 C ATOM 418 CD ARG A 56 -0.768 14.242 -3.012 1.00 1.00 C ATOM 419 NE ARG A 56 -1.750 14.373 -1.913 1.00 1.00 N ATOM 420 CZ ARG A 56 -1.553 15.123 -0.807 1.00 1.00 C ATOM 421 NH1 ARG A 56 -2.499 15.167 0.112 1.00 1.00 N ATOM 422 NH2 ARG A 56 -0.407 15.816 -0.645 1.00 1.00 N ATOM 0 H ARG A 56 -0.285 12.121 -5.271 1.00 1.00 H new ATOM 0 HA ARG A 56 2.211 13.251 -4.353 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.107 11.758 -3.149 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.421 11.728 -2.291 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.523 13.668 -1.382 1.00 1.00 H new ATOM 0 HG3 ARG A 56 1.369 14.365 -2.748 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -0.605 15.212 -3.482 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -1.158 13.576 -3.782 1.00 1.00 H new ATOM 0 HE ARG A 56 -2.631 13.865 -1.996 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -3.362 14.640 -0.019 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -2.367 15.728 0.953 1.00 1.00 H new ATOM 0 HH21 ARG A 56 0.319 15.776 -1.361 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -0.266 16.380 0.193 1.00 1.00 H new ATOM 432 N ARG A 57 1.900 10.120 -5.176 1.00 1.00 N ATOM 433 CA ARG A 57 2.613 8.874 -5.397 1.00 1.00 C ATOM 434 C ARG A 57 3.752 9.084 -6.397 1.00 1.00 C ATOM 435 O ARG A 57 4.639 8.241 -6.519 1.00 1.00 O ATOM 436 CB ARG A 57 1.674 7.787 -5.924 1.00 1.00 C ATOM 437 CG ARG A 57 1.743 6.532 -5.052 1.00 1.00 C ATOM 438 CD ARG A 57 0.354 5.919 -4.862 1.00 1.00 C ATOM 439 NE ARG A 57 0.121 4.868 -5.877 1.00 1.00 N ATOM 440 CZ ARG A 57 -1.044 4.201 -6.022 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.141 3.281 -6.964 1.00 1.00 N ATOM 442 NH2 ARG A 57 -2.093 4.471 -5.216 1.00 1.00 N ATOM 0 H ARG A 57 0.964 10.153 -5.581 1.00 1.00 H new ATOM 0 HA ARG A 57 3.021 8.552 -4.439 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.651 8.164 -5.945 1.00 1.00 H new ATOM 0 HB3 ARG A 57 1.942 7.536 -6.950 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.407 5.801 -5.513 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.170 6.783 -4.081 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.268 5.495 -3.861 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -0.409 6.693 -4.947 1.00 1.00 H new ATOM 0 HE ARG A 57 0.888 4.633 -6.506 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -0.343 3.084 -7.568 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -2.014 2.768 -7.087 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -2.009 5.183 -4.491 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -2.970 3.963 -5.332 1.00 1.00 H new ATOM 452 N GLU A 58 3.689 10.213 -7.088 1.00 1.00 N ATOM 453 CA GLU A 58 4.704 10.545 -8.073 1.00 1.00 C ATOM 454 C GLU A 58 5.923 11.167 -7.391 1.00 1.00 C ATOM 455 O GLU A 58 7.058 10.784 -7.670 1.00 1.00 O ATOM 456 CB GLU A 58 4.141 11.478 -9.147 1.00 1.00 C ATOM 457 CG GLU A 58 4.514 12.933 -8.860 1.00 1.00 C ATOM 458 CD GLU A 58 3.985 13.861 -9.955 1.00 1.00 C ATOM 459 OE1 GLU A 58 4.776 14.421 -10.729 1.00 1.00 O ATOM 460 OE2 GLU A 58 2.702 13.992 -9.987 1.00 1.00 O ATOM 0 H GLU A 58 2.951 10.909 -6.985 1.00 1.00 H new ATOM 0 HA GLU A 58 5.018 9.625 -8.566 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.525 11.187 -10.125 1.00 1.00 H new ATOM 0 HB3 GLU A 58 3.056 11.378 -9.188 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.105 13.233 -7.895 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.598 13.027 -8.791 1.00 1.00 H new ATOM 468 N ALA A 59 5.648 12.118 -6.510 1.00 1.00 N ATOM 469 CA ALA A 59 6.708 12.797 -5.786 1.00 1.00 C ATOM 470 C ALA A 59 7.657 11.758 -5.186 1.00 1.00 C ATOM 471 O ALA A 59 8.871 11.842 -5.369 1.00 1.00 O ATOM 472 CB ALA A 59 6.096 13.710 -4.721 1.00 1.00 C ATOM 0 H ALA A 59 4.706 12.434 -6.282 1.00 1.00 H new ATOM 0 HA ALA A 59 7.290 13.426 -6.460 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.892 14.220 -4.178 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.453 14.448 -5.200 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.506 13.113 -4.025 1.00 1.00 H new ATOM 478 N ASN A 60 7.069 10.802 -4.482 1.00 1.00 N ATOM 479 CA ASN A 60 7.847 9.748 -3.854 1.00 1.00 C ATOM 480 C ASN A 60 8.247 8.717 -4.911 1.00 1.00 C ATOM 481 O ASN A 60 9.290 8.075 -4.793 1.00 1.00 O ATOM 482 CB ASN A 60 7.032 9.028 -2.777 1.00 1.00 C ATOM 483 CG ASN A 60 6.947 9.868 -1.501 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.661 11.149 -1.714 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.130 9.384 -0.396 1.00 1.00 N flip ATOM 0 H ASN A 60 6.062 10.735 -4.333 1.00 1.00 H new ATOM 0 HA ASN A 60 8.725 10.204 -3.397 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.028 8.825 -3.150 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.490 8.065 -2.553 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.346 8.392 -0.303 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.067 9.972 0.435 1.00 1.00 H new ATOM 492 N GLY A 61 7.398 8.592 -5.921 1.00 1.00 N ATOM 493 CA GLY A 61 7.651 7.650 -6.998 1.00 1.00 C ATOM 494 C GLY A 61 7.186 6.243 -6.617 1.00 1.00 C ATOM 495 O GLY A 61 8.006 5.353 -6.395 1.00 1.00 O ATOM 0 H GLY A 61 6.535 9.127 -6.016 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.133 7.976 -7.900 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.716 7.635 -7.230 1.00 1.00 H new ATOM 499 N ILE A 62 5.872 6.086 -6.554 1.00 1.00 N ATOM 500 CA ILE A 62 5.288 4.802 -6.203 1.00 1.00 C ATOM 501 C ILE A 62 4.202 4.446 -7.221 1.00 1.00 C ATOM 502 O ILE A 62 3.057 4.194 -6.850 1.00 1.00 O ATOM 503 CB ILE A 62 4.793 4.816 -4.756 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.963 4.945 -3.778 1.00 1.00 C ATOM 505 CG2 ILE A 62 3.931 3.587 -4.459 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.498 4.731 -2.336 1.00 1.00 C ATOM 0 H ILE A 62 5.195 6.826 -6.740 1.00 1.00 H new ATOM 0 HA ILE A 62 6.041 4.015 -6.250 1.00 1.00 H new ATOM 0 HB ILE A 62 4.161 5.693 -4.620 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.733 4.215 -4.028 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.416 5.932 -3.875 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.592 3.622 -3.424 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.067 3.579 -5.124 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.519 2.683 -4.618 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.349 4.828 -1.661 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.746 5.478 -2.082 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.068 3.734 -2.237 1.00 1.00 H new ATOM 518 N ARG A 63 4.601 4.437 -8.485 1.00 1.00 N ATOM 519 CA ARG A 63 3.676 4.116 -9.559 1.00 1.00 C ATOM 520 C ARG A 63 4.000 2.740 -10.145 1.00 1.00 C ATOM 521 O ARG A 63 4.281 2.620 -11.337 1.00 1.00 O ATOM 522 CB ARG A 63 3.738 5.165 -10.671 1.00 1.00 C ATOM 523 CG ARG A 63 4.086 6.543 -10.106 1.00 1.00 C ATOM 524 CD ARG A 63 3.456 7.655 -10.947 1.00 1.00 C ATOM 525 NE ARG A 63 4.398 8.085 -12.005 1.00 1.00 N ATOM 526 CZ ARG A 63 4.379 9.304 -12.585 1.00 1.00 C ATOM 527 NH1 ARG A 63 5.269 9.580 -13.521 1.00 1.00 N ATOM 528 NH2 ARG A 63 3.465 10.225 -12.215 1.00 1.00 N ATOM 0 H ARG A 63 5.552 4.647 -8.789 1.00 1.00 H new ATOM 0 HA ARG A 63 2.670 4.108 -9.139 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.483 4.872 -11.411 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.779 5.211 -11.186 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.735 6.617 -9.077 1.00 1.00 H new ATOM 0 HG3 ARG A 63 5.169 6.668 -10.083 1.00 1.00 H new ATOM 0 HD2 ARG A 63 2.528 7.301 -11.397 1.00 1.00 H new ATOM 0 HD3 ARG A 63 3.199 8.502 -10.311 1.00 1.00 H new ATOM 0 HE ARG A 63 5.105 7.419 -12.315 1.00 1.00 H new ATOM 0 HH11 ARG A 63 5.956 8.877 -13.795 1.00 1.00 H new ATOM 0 HH12 ARG A 63 5.270 10.496 -13.970 1.00 1.00 H new ATOM 0 HH21 ARG A 63 2.781 10.003 -11.492 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.458 11.143 -12.659 1.00 1.00 H new ATOM 538 N THR A 64 3.951 1.737 -9.281 1.00 1.00 N ATOM 539 CA THR A 64 4.236 0.375 -9.698 1.00 1.00 C ATOM 540 C THR A 64 3.621 -0.623 -8.716 1.00 1.00 C ATOM 541 O THR A 64 3.310 -0.270 -7.579 1.00 1.00 O ATOM 542 CB THR A 64 5.753 0.232 -9.840 1.00 1.00 C ATOM 543 OG1 THR A 64 6.275 0.940 -8.720 1.00 1.00 O ATOM 544 CG2 THR A 64 6.302 0.992 -11.050 1.00 1.00 C ATOM 0 H THR A 64 3.718 1.841 -8.293 1.00 1.00 H new ATOM 0 HA THR A 64 3.782 0.154 -10.664 1.00 1.00 H new ATOM 0 HB THR A 64 6.011 -0.823 -9.926 1.00 1.00 H new ATOM 0 HG1 THR A 64 7.212 1.174 -8.888 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.382 0.858 -11.105 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.842 0.608 -11.960 1.00 1.00 H new ATOM 0 HG23 THR A 64 6.073 2.053 -10.948 1.00 1.00 H new ATOM 552 N VAL A 65 3.464 -1.851 -9.190 1.00 1.00 N ATOM 553 CA VAL A 65 2.892 -2.903 -8.367 1.00 1.00 C ATOM 554 C VAL A 65 3.938 -3.382 -7.359 1.00 1.00 C ATOM 555 O VAL A 65 3.674 -3.427 -6.158 1.00 1.00 O ATOM 556 CB VAL A 65 2.358 -4.029 -9.255 1.00 1.00 C ATOM 557 CG1 VAL A 65 2.207 -5.328 -8.461 1.00 1.00 C ATOM 558 CG2 VAL A 65 1.034 -3.630 -9.909 1.00 1.00 C ATOM 0 H VAL A 65 3.723 -2.140 -10.133 1.00 1.00 H new ATOM 0 HA VAL A 65 2.043 -2.524 -7.798 1.00 1.00 H new ATOM 0 HB VAL A 65 3.085 -4.203 -10.048 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.826 -6.112 -9.115 1.00 1.00 H new ATOM 0 HG12 VAL A 65 3.177 -5.626 -8.064 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.510 -5.172 -7.637 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.676 -4.448 -10.535 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.296 -3.415 -9.136 1.00 1.00 H new ATOM 0 HG23 VAL A 65 1.185 -2.742 -10.523 1.00 1.00 H new ATOM 568 N ARG A 66 5.104 -3.728 -7.884 1.00 1.00 N ATOM 569 CA ARG A 66 6.192 -4.202 -7.044 1.00 1.00 C ATOM 570 C ARG A 66 6.303 -3.343 -5.784 1.00 1.00 C ATOM 571 O ARG A 66 6.057 -3.822 -4.678 1.00 1.00 O ATOM 572 CB ARG A 66 7.524 -4.167 -7.796 1.00 1.00 C ATOM 573 CG ARG A 66 7.602 -5.296 -8.826 1.00 1.00 C ATOM 574 CD ARG A 66 9.053 -5.586 -9.213 1.00 1.00 C ATOM 575 NE ARG A 66 9.351 -7.022 -9.018 1.00 1.00 N ATOM 576 CZ ARG A 66 9.604 -7.587 -7.818 1.00 1.00 C ATOM 577 NH1 ARG A 66 9.859 -8.881 -7.760 1.00 1.00 N ATOM 578 NH2 ARG A 66 9.597 -6.839 -6.694 1.00 1.00 N ATOM 0 H ARG A 66 5.320 -3.690 -8.880 1.00 1.00 H new ATOM 0 HA ARG A 66 5.971 -5.233 -6.767 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.638 -3.205 -8.296 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.348 -4.258 -7.088 1.00 1.00 H new ATOM 0 HG2 ARG A 66 7.144 -6.197 -8.419 1.00 1.00 H new ATOM 0 HG3 ARG A 66 7.033 -5.023 -9.714 1.00 1.00 H new ATOM 0 HD2 ARG A 66 9.223 -5.309 -10.253 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.728 -4.981 -8.608 1.00 1.00 H new ATOM 0 HE ARG A 66 9.366 -7.623 -9.842 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.863 -9.439 -8.614 1.00 1.00 H new ATOM 0 HH12 ARG A 66 10.052 -9.323 -6.861 1.00 1.00 H new ATOM 0 HH21 ARG A 66 9.400 -5.840 -6.748 1.00 1.00 H new ATOM 0 HH22 ARG A 66 9.789 -7.273 -5.791 1.00 1.00 H new ATOM 588 N ASP A 67 6.673 -2.088 -5.992 1.00 1.00 N ATOM 589 CA ASP A 67 6.820 -1.157 -4.886 1.00 1.00 C ATOM 590 C ASP A 67 5.756 -1.457 -3.829 1.00 1.00 C ATOM 591 O ASP A 67 6.053 -1.486 -2.635 1.00 1.00 O ATOM 592 CB ASP A 67 6.629 0.287 -5.353 1.00 1.00 C ATOM 593 CG ASP A 67 7.812 0.882 -6.120 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.178 2.050 -5.924 1.00 1.00 O ATOM 595 OD2 ASP A 67 8.375 0.081 -6.960 1.00 1.00 O ATOM 0 H ASP A 67 6.876 -1.694 -6.911 1.00 1.00 H new ATOM 0 HA ASP A 67 7.824 -1.274 -4.477 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.744 0.333 -5.988 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.430 0.911 -4.482 1.00 1.00 H new ATOM 601 N VAL A 68 4.538 -1.672 -4.304 1.00 1.00 N ATOM 602 CA VAL A 68 3.429 -1.968 -3.414 1.00 1.00 C ATOM 603 C VAL A 68 3.437 -3.460 -3.075 1.00 1.00 C ATOM 604 O VAL A 68 2.418 -4.136 -3.209 1.00 1.00 O ATOM 605 CB VAL A 68 2.114 -1.506 -4.045 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.935 -1.762 -3.105 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.186 -0.031 -4.445 1.00 1.00 C ATOM 0 H VAL A 68 4.295 -1.647 -5.294 1.00 1.00 H new ATOM 0 HA VAL A 68 3.535 -1.421 -2.477 1.00 1.00 H new ATOM 0 HB VAL A 68 1.954 -2.091 -4.951 1.00 1.00 H new ATOM 0 HG11 VAL A 68 0.013 -1.424 -3.578 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.864 -2.829 -2.892 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.087 -1.216 -2.174 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.239 0.272 -4.891 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.382 0.576 -3.561 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.989 0.111 -5.168 1.00 1.00 H new ATOM 617 N ALA A 69 4.598 -3.930 -2.644 1.00 1.00 N ATOM 618 CA ALA A 69 4.753 -5.329 -2.284 1.00 1.00 C ATOM 619 C ALA A 69 6.065 -5.513 -1.519 1.00 1.00 C ATOM 620 O ALA A 69 6.109 -6.225 -0.517 1.00 1.00 O ATOM 621 CB ALA A 69 4.689 -6.191 -3.547 1.00 1.00 C ATOM 0 H ALA A 69 5.441 -3.366 -2.536 1.00 1.00 H new ATOM 0 HA ALA A 69 3.942 -5.648 -1.629 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.805 -7.241 -3.277 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.726 -6.047 -4.038 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.490 -5.900 -4.227 1.00 1.00 H new ATOM 627 N ALA A 70 7.102 -4.859 -2.021 1.00 1.00 N ATOM 628 CA ALA A 70 8.412 -4.942 -1.397 1.00 1.00 C ATOM 629 C ALA A 70 8.439 -4.044 -0.158 1.00 1.00 C ATOM 630 O ALA A 70 8.560 -4.501 0.977 1.00 1.00 O ATOM 631 CB ALA A 70 9.488 -4.561 -2.416 1.00 1.00 C ATOM 0 H ALA A 70 7.062 -4.269 -2.852 1.00 1.00 H new ATOM 0 HA ALA A 70 8.618 -5.961 -1.071 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.471 -4.623 -1.948 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.446 -5.246 -3.263 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.316 -3.542 -2.764 1.00 1.00 H new ATOM 637 N TYR A 71 8.322 -2.738 -0.405 1.00 1.00 N ATOM 638 CA TYR A 71 8.331 -1.756 0.661 1.00 1.00 C ATOM 639 C TYR A 71 7.475 -2.245 1.821 1.00 1.00 C ATOM 640 O TYR A 71 7.975 -2.313 2.942 1.00 1.00 O ATOM 641 CB TYR A 71 7.811 -0.424 0.128 1.00 1.00 C ATOM 642 CG TYR A 71 8.898 0.600 -0.098 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.733 1.910 0.368 1.00 1.00 C ATOM 644 CD2 TYR A 71 10.069 0.239 -0.775 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.741 2.859 0.158 1.00 1.00 C ATOM 646 CE2 TYR A 71 11.077 1.189 -0.984 1.00 1.00 C ATOM 647 CZ TYR A 71 10.913 2.498 -0.518 1.00 1.00 C ATOM 648 OH TYR A 71 11.894 3.423 -0.722 1.00 1.00 O ATOM 0 H TYR A 71 8.220 -2.343 -1.340 1.00 1.00 H new ATOM 0 HA TYR A 71 9.350 -1.615 1.023 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.286 -0.598 -0.811 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.083 -0.020 0.831 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.829 2.188 0.889 1.00 1.00 H new ATOM 0 HD2 TYR A 71 10.195 -0.771 -1.136 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.615 3.870 0.517 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.981 0.911 -1.505 1.00 1.00 H new ATOM 0 HH TYR A 71 12.639 3.008 -1.205 1.00 1.00 H new ATOM 658 N ILE A 72 6.222 -2.570 1.537 1.00 1.00 N ATOM 659 CA ILE A 72 5.320 -3.048 2.572 1.00 1.00 C ATOM 660 C ILE A 72 6.075 -4.002 3.499 1.00 1.00 C ATOM 661 O ILE A 72 5.842 -4.014 4.707 1.00 1.00 O ATOM 662 CB ILE A 72 4.066 -3.662 1.947 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.428 -4.814 1.008 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.224 -2.594 1.246 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.344 -5.893 1.019 1.00 1.00 C ATOM 0 H ILE A 72 5.810 -2.512 0.606 1.00 1.00 H new ATOM 0 HA ILE A 72 4.969 -2.218 3.185 1.00 1.00 H new ATOM 0 HB ILE A 72 3.455 -4.080 2.747 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.558 -4.434 -0.006 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.381 -5.248 1.310 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.339 -3.057 0.810 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.919 -1.838 1.970 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.813 -2.125 0.458 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.627 -6.700 0.343 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.234 -6.288 2.029 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.398 -5.461 0.693 1.00 1.00 H new ATOM 677 N ARG A 73 6.965 -4.779 2.899 1.00 1.00 N ATOM 678 CA ARG A 73 7.756 -5.734 3.657 1.00 1.00 C ATOM 679 C ARG A 73 8.603 -5.009 4.705 1.00 1.00 C ATOM 680 O ARG A 73 8.432 -5.225 5.904 1.00 1.00 O ATOM 681 CB ARG A 73 8.675 -6.540 2.737 1.00 1.00 C ATOM 682 CG ARG A 73 9.213 -7.782 3.451 1.00 1.00 C ATOM 683 CD ARG A 73 8.957 -9.044 2.625 1.00 1.00 C ATOM 684 NE ARG A 73 9.676 -10.193 3.219 1.00 1.00 N ATOM 685 CZ ARG A 73 9.899 -11.360 2.578 1.00 1.00 C ATOM 686 NH1 ARG A 73 10.553 -12.319 3.204 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.458 -11.542 1.314 1.00 1.00 N ATOM 0 H ARG A 73 7.156 -4.767 1.897 1.00 1.00 H new ATOM 0 HA ARG A 73 7.066 -6.417 4.152 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.129 -6.838 1.842 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.506 -5.916 2.410 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.283 -7.669 3.627 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.737 -7.879 4.427 1.00 1.00 H new ATOM 0 HD2 ARG A 73 7.888 -9.253 2.588 1.00 1.00 H new ATOM 0 HD3 ARG A 73 9.287 -8.889 1.598 1.00 1.00 H new ATOM 0 HE ARG A 73 10.025 -10.097 4.173 1.00 1.00 H new ATOM 0 HH11 ARG A 73 10.882 -12.173 4.158 1.00 1.00 H new ATOM 0 HH12 ARG A 73 10.730 -13.207 2.734 1.00 1.00 H new ATOM 0 HH21 ARG A 73 8.953 -10.795 0.838 1.00 1.00 H new ATOM 0 HH22 ARG A 73 9.630 -12.427 0.836 1.00 1.00 H new ATOM 697 N ASN A 74 9.498 -4.164 4.215 1.00 1.00 N ATOM 698 CA ASN A 74 10.372 -3.407 5.094 1.00 1.00 C ATOM 699 C ASN A 74 10.292 -1.923 4.731 1.00 1.00 C ATOM 700 O ASN A 74 11.208 -1.342 4.154 1.00 1.00 O ATOM 701 CB ASN A 74 11.828 -3.852 4.942 1.00 1.00 C ATOM 702 CG ASN A 74 12.640 -3.510 6.193 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.548 -2.697 6.171 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.263 -4.176 7.281 1.00 1.00 N ATOM 0 H ASN A 74 9.637 -3.987 3.220 1.00 1.00 H new ATOM 0 HA ASN A 74 10.048 -3.579 6.120 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.867 -4.926 4.762 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.271 -3.367 4.073 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.743 -4.019 8.167 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.494 -4.844 7.229 1.00 1.00 H new ATOM 711 N PRO A 75 9.157 -1.315 5.087 1.00 1.00 N ATOM 712 CA PRO A 75 8.869 0.082 4.844 1.00 1.00 C ATOM 713 C PRO A 75 9.528 0.934 5.919 1.00 1.00 C ATOM 714 O PRO A 75 10.119 0.373 6.841 1.00 1.00 O ATOM 715 CB PRO A 75 7.347 0.187 4.918 1.00 1.00 C ATOM 716 CG PRO A 75 6.958 -0.913 5.839 1.00 1.00 C ATOM 717 CD PRO A 75 8.059 -1.968 5.766 1.00 1.00 C ATOM 0 HA PRO A 75 9.248 0.432 3.884 1.00 1.00 H new ATOM 0 HB2 PRO A 75 7.031 1.158 5.299 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.890 0.066 3.936 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.847 -0.542 6.858 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.997 -1.338 5.548 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.353 -2.302 6.761 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.725 -2.850 5.219 1.00 1.00 H new ATOM 725 N GLY A 76 9.420 2.247 5.786 1.00 1.00 N ATOM 726 CA GLY A 76 10.014 3.150 6.757 1.00 1.00 C ATOM 727 C GLY A 76 9.024 3.482 7.875 1.00 1.00 C ATOM 728 O GLY A 76 7.918 2.951 7.946 1.00 1.00 O ATOM 0 H GLY A 76 8.929 2.708 5.020 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.909 2.695 7.182 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.328 4.068 6.260 1.00 1.00 H new ATOM 732 N PRO A 77 9.452 4.387 8.758 1.00 1.00 N ATOM 733 CA PRO A 77 8.681 4.851 9.891 1.00 1.00 C ATOM 734 C PRO A 77 7.328 5.359 9.414 1.00 1.00 C ATOM 735 O PRO A 77 7.221 5.768 8.259 1.00 1.00 O ATOM 736 CB PRO A 77 9.510 5.983 10.493 1.00 1.00 C ATOM 737 CG PRO A 77 10.895 5.731 10.053 1.00 1.00 C ATOM 738 CD PRO A 77 10.747 5.032 8.704 1.00 1.00 C ATOM 0 HA PRO A 77 8.487 4.066 10.622 1.00 1.00 H new ATOM 0 HB2 PRO A 77 9.158 6.955 10.146 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.438 5.987 11.581 1.00 1.00 H new ATOM 0 HG2 PRO A 77 11.457 6.660 9.959 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.431 5.106 10.767 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.799 5.746 7.882 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.544 4.305 8.546 1.00 1.00 H new ATOM 746 N GLY A 78 6.337 5.326 10.293 1.00 1.00 N ATOM 747 CA GLY A 78 5.006 5.787 9.938 1.00 1.00 C ATOM 748 C GLY A 78 4.119 4.619 9.502 1.00 1.00 C ATOM 749 O GLY A 78 2.918 4.615 9.766 1.00 1.00 O ATOM 0 H GLY A 78 6.430 4.987 11.251 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.553 6.293 10.790 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.073 6.518 9.132 1.00 1.00 H new ATOM 753 N MET A 79 4.746 3.656 8.843 1.00 1.00 N ATOM 754 CA MET A 79 4.029 2.485 8.368 1.00 1.00 C ATOM 755 C MET A 79 4.630 1.202 8.946 1.00 1.00 C ATOM 756 O MET A 79 5.835 0.966 8.898 1.00 1.00 O ATOM 757 CB MET A 79 4.090 2.434 6.840 1.00 1.00 C ATOM 758 CG MET A 79 2.884 1.684 6.268 1.00 1.00 C ATOM 759 SD MET A 79 2.668 2.099 4.546 1.00 1.00 S ATOM 760 CE MET A 79 3.174 0.563 3.791 1.00 1.00 C ATOM 0 H MET A 79 5.743 3.663 8.627 1.00 1.00 H new ATOM 0 HA MET A 79 2.992 2.559 8.697 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.116 3.447 6.439 1.00 1.00 H new ATOM 0 HB3 MET A 79 5.011 1.943 6.525 1.00 1.00 H new ATOM 0 HG2 MET A 79 3.029 0.609 6.376 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.985 1.942 6.828 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.099 0.649 2.707 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.205 0.344 4.068 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.527 -0.243 4.137 1.00 1.00 H new ATOM 770 N PRO A 80 3.749 0.367 9.502 1.00 1.00 N ATOM 771 CA PRO A 80 4.095 -0.901 10.107 1.00 1.00 C ATOM 772 C PRO A 80 4.874 -1.746 9.109 1.00 1.00 C ATOM 773 O PRO A 80 5.644 -1.186 8.330 1.00 1.00 O ATOM 774 CB PRO A 80 2.757 -1.552 10.448 1.00 1.00 C ATOM 775 CG PRO A 80 1.789 -0.455 10.527 1.00 1.00 C ATOM 776 CD PRO A 80 2.325 0.613 9.576 1.00 1.00 C ATOM 0 HA PRO A 80 4.723 -0.792 10.991 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.468 -2.275 9.685 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.814 -2.092 11.393 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.793 -0.785 10.230 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.708 -0.073 11.545 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.860 0.536 8.593 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.116 1.615 9.950 1.00 1.00 H new ATOM 784 N ALA A 81 4.668 -3.054 9.150 1.00 1.00 N ATOM 785 CA ALA A 81 5.363 -3.950 8.241 1.00 1.00 C ATOM 786 C ALA A 81 4.506 -5.196 8.006 1.00 1.00 C ATOM 787 O ALA A 81 3.566 -5.458 8.755 1.00 1.00 O ATOM 788 CB ALA A 81 6.740 -4.290 8.814 1.00 1.00 C ATOM 0 H ALA A 81 4.030 -3.515 9.798 1.00 1.00 H new ATOM 0 HA ALA A 81 5.521 -3.471 7.275 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.262 -4.962 8.133 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.320 -3.375 8.936 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.621 -4.776 9.783 1.00 1.00 H new ATOM 794 N PHE A 82 4.862 -5.931 6.963 1.00 1.00 N ATOM 795 CA PHE A 82 4.137 -7.143 6.620 1.00 1.00 C ATOM 796 C PHE A 82 5.071 -8.182 5.995 1.00 1.00 C ATOM 797 O PHE A 82 5.447 -8.062 4.829 1.00 1.00 O ATOM 798 CB PHE A 82 3.070 -6.752 5.596 1.00 1.00 C ATOM 799 CG PHE A 82 2.090 -5.689 6.094 1.00 1.00 C ATOM 800 CD1 PHE A 82 0.888 -6.061 6.611 1.00 1.00 C ATOM 801 CD2 PHE A 82 2.420 -4.371 6.021 1.00 1.00 C ATOM 802 CE1 PHE A 82 -0.022 -5.074 7.073 1.00 1.00 C ATOM 803 CE2 PHE A 82 1.510 -3.385 6.483 1.00 1.00 C ATOM 804 CZ PHE A 82 0.308 -3.757 7.000 1.00 1.00 C ATOM 0 H PHE A 82 5.643 -5.711 6.344 1.00 1.00 H new ATOM 0 HA PHE A 82 3.698 -7.581 7.517 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.562 -6.384 4.696 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.510 -7.643 5.312 1.00 1.00 H new ATOM 0 HD1 PHE A 82 0.626 -7.107 6.670 1.00 1.00 H new ATOM 0 HD2 PHE A 82 3.375 -4.075 5.611 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -0.977 -5.369 7.483 1.00 1.00 H new ATOM 0 HE2 PHE A 82 1.772 -2.339 6.424 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.384 -3.006 7.352 1.00 1.00 H new ATOM 814 N GLY A 83 5.419 -9.177 6.797 1.00 1.00 N ATOM 815 CA GLY A 83 6.302 -10.236 6.337 1.00 1.00 C ATOM 816 C GLY A 83 5.503 -11.467 5.904 1.00 1.00 C ATOM 817 O GLY A 83 4.279 -11.408 5.788 1.00 1.00 O ATOM 0 H GLY A 83 5.106 -9.273 7.763 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.903 -9.876 5.502 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.994 -10.509 7.134 1.00 1.00 H new ATOM 821 N GLU A 84 6.226 -12.553 5.677 1.00 1.00 N ATOM 822 CA GLU A 84 5.600 -13.796 5.260 1.00 1.00 C ATOM 823 C GLU A 84 4.934 -14.481 6.455 1.00 1.00 C ATOM 824 O GLU A 84 4.379 -15.571 6.319 1.00 1.00 O ATOM 825 CB GLU A 84 6.616 -14.724 4.592 1.00 1.00 C ATOM 826 CG GLU A 84 5.914 -15.877 3.871 1.00 1.00 C ATOM 827 CD GLU A 84 6.592 -17.213 4.185 1.00 1.00 C ATOM 828 OE1 GLU A 84 7.812 -17.345 4.009 1.00 1.00 O ATOM 829 OE2 GLU A 84 5.804 -18.134 4.626 1.00 1.00 O ATOM 0 H GLU A 84 7.240 -12.598 5.774 1.00 1.00 H new ATOM 0 HA GLU A 84 4.831 -13.564 4.524 1.00 1.00 H new ATOM 0 HB2 GLU A 84 7.218 -14.158 3.881 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.299 -15.122 5.343 1.00 1.00 H new ATOM 0 HG2 GLU A 84 4.867 -15.916 4.173 1.00 1.00 H new ATOM 0 HG3 GLU A 84 5.929 -15.701 2.795 1.00 1.00 H new ATOM 837 N ALA A 85 5.010 -13.815 7.597 1.00 1.00 N ATOM 838 CA ALA A 85 4.421 -14.346 8.814 1.00 1.00 C ATOM 839 C ALA A 85 2.904 -14.449 8.639 1.00 1.00 C ATOM 840 O ALA A 85 2.293 -15.432 9.056 1.00 1.00 O ATOM 841 CB ALA A 85 4.812 -13.462 10.000 1.00 1.00 C ATOM 0 H ALA A 85 5.471 -12.912 7.705 1.00 1.00 H new ATOM 0 HA ALA A 85 4.799 -15.348 9.017 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.370 -13.861 10.913 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.897 -13.446 10.100 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.448 -12.448 9.834 1.00 1.00 H new ATOM 847 N MET A 86 2.341 -13.420 8.023 1.00 1.00 N ATOM 848 CA MET A 86 0.908 -13.382 7.788 1.00 1.00 C ATOM 849 C MET A 86 0.598 -13.355 6.290 1.00 1.00 C ATOM 850 O MET A 86 -0.152 -14.193 5.792 1.00 1.00 O ATOM 851 CB MET A 86 0.313 -12.140 8.455 1.00 1.00 C ATOM 852 CG MET A 86 -1.196 -12.292 8.651 1.00 1.00 C ATOM 853 SD MET A 86 -1.798 -11.028 9.758 1.00 1.00 S ATOM 854 CE MET A 86 -1.150 -11.637 11.306 1.00 1.00 C ATOM 0 H MET A 86 2.851 -12.606 7.680 1.00 1.00 H new ATOM 0 HA MET A 86 0.465 -14.282 8.215 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.794 -11.975 9.419 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.517 -11.261 7.843 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.705 -12.218 7.690 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.421 -13.279 9.056 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.771 -11.278 12.127 1.00 1.00 H new ATOM 0 HE2 MET A 86 -1.153 -12.727 11.298 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.129 -11.278 11.440 1.00 1.00 H new ATOM 864 N ILE A 87 1.192 -12.383 5.613 1.00 1.00 N ATOM 865 CA ILE A 87 0.989 -12.236 4.182 1.00 1.00 C ATOM 866 C ILE A 87 2.324 -12.430 3.459 1.00 1.00 C ATOM 867 O ILE A 87 3.277 -11.675 3.636 1.00 1.00 O ATOM 868 CB ILE A 87 0.311 -10.900 3.871 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.933 -10.702 4.741 1.00 1.00 C ATOM 870 CG2 ILE A 87 -0.008 -10.781 2.380 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.941 -9.779 4.053 1.00 1.00 C ATOM 0 H ILE A 87 1.814 -11.690 6.029 1.00 1.00 H new ATOM 0 HA ILE A 87 0.311 -13.005 3.813 1.00 1.00 H new ATOM 0 HB ILE A 87 1.007 -10.098 4.116 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.397 -11.667 4.943 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.645 -10.279 5.703 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.489 -9.822 2.186 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.915 -10.847 1.804 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.677 -11.589 2.086 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.815 -9.655 4.692 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.481 -8.807 3.874 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.245 -10.217 3.102 1.00 1.00 H new ATOM 883 N PRO A 88 2.370 -13.475 2.629 1.00 1.00 N ATOM 884 CA PRO A 88 3.528 -13.843 1.845 1.00 1.00 C ATOM 885 C PRO A 88 3.709 -12.852 0.704 1.00 1.00 C ATOM 886 O PRO A 88 2.736 -12.290 0.208 1.00 1.00 O ATOM 887 CB PRO A 88 3.212 -15.239 1.312 1.00 1.00 C ATOM 888 CG PRO A 88 1.735 -15.288 1.261 1.00 1.00 C ATOM 889 CD PRO A 88 1.267 -14.383 2.398 1.00 1.00 C ATOM 0 HA PRO A 88 4.452 -13.834 2.423 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.649 -15.396 0.326 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.613 -16.014 1.965 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.362 -14.937 0.299 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.370 -16.307 1.392 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.361 -13.842 2.125 1.00 1.00 H new ATOM 0 HD3 PRO A 88 1.036 -14.960 3.293 1.00 1.00 H new ATOM 897 N PRO A 89 4.960 -12.637 0.291 1.00 1.00 N ATOM 898 CA PRO A 89 5.322 -11.731 -0.778 1.00 1.00 C ATOM 899 C PRO A 89 4.486 -12.039 -2.013 1.00 1.00 C ATOM 900 O PRO A 89 4.034 -11.104 -2.672 1.00 1.00 O ATOM 901 CB PRO A 89 6.802 -12.003 -1.038 1.00 1.00 C ATOM 902 CG PRO A 89 7.144 -13.316 -0.287 1.00 1.00 C ATOM 903 CD PRO A 89 6.128 -13.281 0.852 1.00 1.00 C ATOM 0 HA PRO A 89 5.145 -10.685 -0.526 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.997 -12.104 -2.106 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.418 -11.178 -0.679 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.022 -14.195 -0.920 1.00 1.00 H new ATOM 0 HG3 PRO A 89 8.171 -13.325 0.078 1.00 1.00 H new ATOM 0 HD2 PRO A 89 5.894 -14.286 1.204 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.513 -12.725 1.707 1.00 1.00 H new ATOM 911 N ALA A 90 4.300 -13.319 -2.300 1.00 1.00 N ATOM 912 CA ALA A 90 3.520 -13.720 -3.458 1.00 1.00 C ATOM 913 C ALA A 90 2.076 -13.245 -3.284 1.00 1.00 C ATOM 914 O ALA A 90 1.378 -12.994 -4.266 1.00 1.00 O ATOM 915 CB ALA A 90 3.616 -15.236 -3.638 1.00 1.00 C ATOM 0 H ALA A 90 4.676 -14.092 -1.751 1.00 1.00 H new ATOM 0 HA ALA A 90 3.913 -13.258 -4.364 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.031 -15.537 -4.507 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.658 -15.520 -3.786 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.228 -15.733 -2.749 1.00 1.00 H new ATOM 921 N ASP A 91 1.670 -13.134 -2.027 1.00 1.00 N ATOM 922 CA ASP A 91 0.322 -12.693 -1.712 1.00 1.00 C ATOM 923 C ASP A 91 0.286 -11.164 -1.675 1.00 1.00 C ATOM 924 O ASP A 91 -0.787 -10.566 -1.613 1.00 1.00 O ATOM 925 CB ASP A 91 -0.120 -13.210 -0.342 1.00 1.00 C ATOM 926 CG ASP A 91 -0.518 -14.687 -0.305 1.00 1.00 C ATOM 927 OD1 ASP A 91 0.156 -15.545 -0.894 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.584 -14.947 0.373 1.00 1.00 O ATOM 0 H ASP A 91 2.251 -13.342 -1.215 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.348 -13.083 -2.478 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.691 -13.050 0.369 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -0.966 -12.613 -0.001 1.00 1.00 H new ATOM 934 N ALA A 92 1.472 -10.575 -1.714 1.00 1.00 N ATOM 935 CA ALA A 92 1.590 -9.127 -1.686 1.00 1.00 C ATOM 936 C ALA A 92 1.468 -8.582 -3.110 1.00 1.00 C ATOM 937 O ALA A 92 0.912 -7.505 -3.321 1.00 1.00 O ATOM 938 CB ALA A 92 2.912 -8.735 -1.023 1.00 1.00 C ATOM 0 H ALA A 92 2.360 -11.074 -1.765 1.00 1.00 H new ATOM 0 HA ALA A 92 0.786 -8.688 -1.095 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.000 -7.649 -1.002 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.936 -9.121 -0.004 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.742 -9.156 -1.590 1.00 1.00 H new ATOM 944 N LEU A 93 1.997 -9.350 -4.051 1.00 1.00 N ATOM 945 CA LEU A 93 1.955 -8.958 -5.450 1.00 1.00 C ATOM 946 C LEU A 93 0.497 -8.859 -5.903 1.00 1.00 C ATOM 947 O LEU A 93 0.205 -8.265 -6.940 1.00 1.00 O ATOM 948 CB LEU A 93 2.800 -9.909 -6.299 1.00 1.00 C ATOM 949 CG LEU A 93 4.315 -9.804 -6.117 1.00 1.00 C ATOM 950 CD1 LEU A 93 5.024 -11.027 -6.702 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.849 -8.497 -6.707 1.00 1.00 C ATOM 0 H LEU A 93 2.457 -10.242 -3.872 1.00 1.00 H new ATOM 0 HA LEU A 93 2.399 -7.971 -5.583 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.497 -10.932 -6.074 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.567 -9.731 -7.349 1.00 1.00 H new ATOM 0 HG LEU A 93 4.530 -9.787 -5.048 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.100 -10.927 -6.559 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.673 -11.927 -6.197 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.805 -11.100 -7.767 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.928 -8.448 -6.564 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.622 -8.459 -7.772 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.378 -7.652 -6.205 1.00 1.00 H new ATOM 963 N LYS A 94 -0.379 -9.449 -5.103 1.00 1.00 N ATOM 964 CA LYS A 94 -1.800 -9.435 -5.410 1.00 1.00 C ATOM 965 C LYS A 94 -2.432 -8.174 -4.818 1.00 1.00 C ATOM 966 O LYS A 94 -3.512 -7.761 -5.238 1.00 1.00 O ATOM 967 CB LYS A 94 -2.462 -10.733 -4.941 1.00 1.00 C ATOM 968 CG LYS A 94 -2.711 -10.707 -3.432 1.00 1.00 C ATOM 969 CD LYS A 94 -4.209 -10.762 -3.123 1.00 1.00 C ATOM 970 CE LYS A 94 -4.798 -12.120 -3.508 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.251 -12.000 -3.766 1.00 1.00 N ATOM 0 H LYS A 94 -0.133 -9.940 -4.243 1.00 1.00 H new ATOM 0 HA LYS A 94 -1.957 -9.395 -6.488 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.406 -10.874 -5.467 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -1.826 -11.582 -5.194 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.208 -11.552 -2.962 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -2.281 -9.802 -3.004 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.372 -10.579 -2.061 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -4.725 -9.970 -3.666 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.295 -12.503 -4.396 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.623 -12.839 -2.708 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.616 -12.906 -4.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -6.741 -11.754 -2.882 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.418 -11.256 -4.473 1.00 1.00 H new ATOM 984 N ILE A 95 -1.732 -7.597 -3.852 1.00 1.00 N ATOM 985 CA ILE A 95 -2.211 -6.391 -3.199 1.00 1.00 C ATOM 986 C ILE A 95 -1.906 -5.181 -4.083 1.00 1.00 C ATOM 987 O ILE A 95 -2.731 -4.278 -4.213 1.00 1.00 O ATOM 988 CB ILE A 95 -1.634 -6.281 -1.786 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.760 -7.610 -1.038 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.280 -5.127 -1.018 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.191 -7.826 -0.540 1.00 1.00 C ATOM 0 H ILE A 95 -0.837 -7.943 -3.506 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.293 -6.430 -3.075 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.570 -6.057 -1.868 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.472 -8.430 -1.696 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.071 -7.623 -0.193 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.852 -5.071 -0.017 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.095 -4.191 -1.545 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.354 -5.295 -0.944 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.253 -8.778 -0.012 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.467 -7.017 0.137 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.874 -7.837 -1.389 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.718 -5.201 -4.670 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.294 -4.117 -5.539 1.00 1.00 C ATOM 1005 C GLY A 96 -1.330 -3.853 -6.633 1.00 1.00 C ATOM 1006 O GLY A 96 -1.378 -2.762 -7.198 1.00 1.00 O ATOM 0 H GLY A 96 -0.036 -5.951 -4.560 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.143 -3.212 -4.950 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.665 -4.365 -5.994 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.134 -4.872 -6.900 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.166 -4.765 -7.917 1.00 1.00 C ATOM 1012 C GLU A 97 -4.290 -3.845 -7.437 1.00 1.00 C ATOM 1013 O GLU A 97 -4.671 -2.880 -8.096 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.710 -6.144 -8.294 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.583 -7.175 -8.373 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.040 -8.432 -9.118 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -2.806 -8.554 -10.329 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.659 -9.300 -8.392 1.00 1.00 O ATOM 0 H GLU A 97 -2.091 -5.776 -6.429 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.723 -4.329 -8.812 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.447 -6.462 -7.557 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.223 -6.086 -9.254 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.722 -6.740 -8.881 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.258 -7.442 -7.367 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.819 -4.169 -6.255 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.893 -3.399 -5.662 1.00 1.00 C ATOM 1028 C TYR A 98 -5.556 -1.916 -5.716 1.00 1.00 C ATOM 1029 O TYR A 98 -6.474 -1.097 -5.741 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.108 -3.853 -4.221 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.322 -3.236 -3.569 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -7.164 -2.305 -2.535 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.606 -3.593 -3.999 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.290 -1.733 -1.931 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.731 -3.021 -3.394 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.573 -2.090 -2.360 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.670 -1.532 -1.772 1.00 1.00 O ATOM 0 H TYR A 98 -4.513 -4.964 -5.695 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.814 -3.562 -6.222 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.207 -4.938 -4.202 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.224 -3.603 -3.634 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -6.174 -2.028 -2.204 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.728 -4.310 -4.798 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -8.168 -1.015 -1.133 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.721 -3.298 -3.725 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.482 -1.888 -2.190 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.269 -1.601 -5.732 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.839 -0.214 -5.782 1.00 1.00 C ATOM 1049 C VAL A 99 -3.530 0.167 -7.232 1.00 1.00 C ATOM 1050 O VAL A 99 -2.644 0.981 -7.488 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.651 0.000 -4.842 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.070 1.407 -5.003 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.047 -0.266 -3.388 1.00 1.00 C ATOM 0 H VAL A 99 -3.510 -2.282 -5.711 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.634 0.445 -5.434 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.876 -0.716 -5.115 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.227 1.533 -4.323 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.732 1.546 -6.030 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.837 2.146 -4.770 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.184 -0.107 -2.741 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.848 0.414 -3.099 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.391 -1.295 -3.287 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.279 -0.438 -8.141 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.097 -0.173 -9.558 1.00 1.00 C ATOM 1065 C VAL A 100 -5.452 -0.241 -10.264 1.00 1.00 C ATOM 1066 O VAL A 100 -5.515 -0.393 -11.483 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.068 -1.142 -10.144 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -2.982 -0.996 -11.665 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.696 -0.943 -9.496 1.00 1.00 C ATOM 0 H VAL A 100 -5.014 -1.111 -7.924 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.702 0.831 -9.710 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.399 -2.157 -9.923 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.244 -1.696 -12.057 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -3.955 -1.210 -12.107 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.686 0.022 -11.917 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -0.983 -1.644 -9.930 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.355 0.077 -9.672 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.771 -1.120 -8.423 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.505 -0.126 -9.468 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.856 -0.173 -10.001 1.00 1.00 C ATOM 1081 C ALA A 101 -8.677 0.970 -9.400 1.00 1.00 C ATOM 1082 O ALA A 101 -9.809 0.764 -8.965 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.470 -1.545 -9.715 1.00 1.00 C ATOM 0 H ALA A 101 -6.450 -0.000 -8.457 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.847 -0.039 -11.083 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.483 -1.581 -10.115 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.866 -2.320 -10.188 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.498 -1.714 -8.638 1.00 1.00 H new ATOM 1089 N SER A 102 -8.074 2.150 -9.396 1.00 1.00 N ATOM 1090 CA SER A 102 -8.735 3.326 -8.856 1.00 1.00 C ATOM 1091 C SER A 102 -7.839 4.554 -9.025 1.00 1.00 C ATOM 1092 O SER A 102 -8.326 5.648 -9.306 1.00 1.00 O ATOM 1093 CB SER A 102 -9.093 3.128 -7.381 1.00 1.00 C ATOM 1094 OG SER A 102 -10.499 3.016 -7.183 1.00 1.00 O ATOM 0 H SER A 102 -7.135 2.317 -9.758 1.00 1.00 H new ATOM 0 HA SER A 102 -9.661 3.482 -9.409 1.00 1.00 H new ATOM 0 HB2 SER A 102 -8.602 2.230 -7.006 1.00 1.00 H new ATOM 0 HB3 SER A 102 -8.711 3.967 -6.799 1.00 1.00 H new ATOM 0 HG SER A 102 -10.839 2.244 -7.681 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.545 4.332 -8.847 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.576 5.407 -8.976 1.00 1.00 C ATOM 1102 C PHE A 103 -4.165 4.852 -9.178 1.00 1.00 C ATOM 1103 O PHE A 103 -3.341 4.816 -8.267 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.615 6.204 -7.670 1.00 1.00 C ATOM 1105 CG PHE A 103 -6.041 5.382 -6.452 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.467 4.172 -6.214 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.993 5.861 -5.608 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.863 3.409 -5.083 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.389 5.098 -4.477 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.815 3.888 -4.239 1.00 1.00 C ATOM 0 H PHE A 103 -6.145 3.423 -8.614 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.821 6.027 -9.839 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.627 6.625 -7.484 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.302 7.042 -7.788 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.711 3.792 -6.884 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.448 6.822 -5.797 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.408 2.448 -4.894 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -8.145 5.478 -3.807 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.116 3.308 -3.379 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.902 4.415 -10.412 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.635 3.853 -10.826 1.00 1.00 C ATOM 1122 C PRO A 104 -1.720 4.965 -11.319 1.00 1.00 C ATOM 1123 O PRO A 104 -0.846 4.730 -12.151 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.984 2.889 -11.958 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.202 3.602 -12.606 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.848 4.443 -11.507 1.00 1.00 C ATOM 0 HA PRO A 104 -2.112 3.345 -10.016 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.160 2.765 -12.660 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -3.239 1.896 -11.588 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -3.886 4.230 -13.439 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.910 2.875 -13.005 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.030 5.463 -11.846 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.811 4.030 -11.208 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.524 2.653 4.141 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.954 5.388 2.691 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.346 1.135 0.946 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.914 -0.238 5.446 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.319 4.205 7.123 1.00 1.00 C HETATM 1140 NA HEC A 201 1.058 3.139 2.215 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.606 4.351 1.831 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.772 4.394 0.398 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.327 3.217 -0.089 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.882 2.432 1.038 1.00 1.00 C HETATM 1145 CMA HEC A 201 1.285 2.765 -1.520 1.00 1.00 C HETATM 1146 CAA HEC A 201 2.339 5.556 -0.366 1.00 1.00 C HETATM 1147 CBA HEC A 201 1.370 6.724 -0.528 1.00 1.00 C HETATM 1148 CGA HEC A 201 0.766 7.124 0.810 1.00 1.00 C HETATM 1149 O1A HEC A 201 1.387 7.975 1.482 1.00 1.00 O HETATM 1150 O2A HEC A 201 -0.307 6.570 1.137 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.159 0.828 3.341 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.117 0.394 2.027 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.628 -0.954 1.929 1.00 1.00 C HETATM 1154 C3B HEC A 201 -0.978 -1.337 3.175 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.688 -0.231 4.057 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.731 -1.742 0.656 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.561 -2.651 3.608 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.773 -3.867 3.130 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.094 2.062 5.950 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.709 0.883 6.333 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.182 0.983 7.694 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.857 2.216 8.137 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.180 2.891 7.056 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.897 -0.108 8.437 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.127 2.813 9.488 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.683 1.936 10.654 1.00 1.00 C HETATM 1167 ND HEC A 201 0.958 4.443 4.753 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.935 4.870 6.069 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.648 6.119 6.202 1.00 1.00 C HETATM 1170 C3D HEC A 201 2.103 6.449 4.975 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.676 5.409 4.069 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.826 6.873 7.488 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.903 7.657 4.580 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.394 7.538 4.881 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.797 8.456 6.027 1.00 1.00 C HETATM 1176 O1D HEC A 201 4.406 8.139 7.171 1.00 1.00 O HETATM 1177 O2D HEC A 201 5.487 9.457 5.737 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.849 7.141 7.891 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.356 6.247 8.206 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.402 7.779 7.302 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.816 -0.365 7.910 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.256 -0.987 8.498 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.139 0.235 9.443 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.379 -1.217 -0.046 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.261 -1.857 0.218 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.150 -2.725 0.870 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.662 3.447 -2.099 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 2.295 2.760 -1.930 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.867 1.760 -1.572 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.635 6.506 5.136 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.969 7.790 3.990 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.209 0.982 10.613 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.391 1.761 10.589 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.913 2.437 11.594 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.740 -3.874 2.041 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.242 -3.820 3.524 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.258 -4.777 3.484 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 1.892 7.576 -0.964 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 0.575 6.448 -1.221 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.771 7.835 3.513 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.506 8.529 5.100 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 3.236 5.909 0.143 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 2.647 5.213 -1.354 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.215 4.739 8.068 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.274 -1.167 5.889 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.290 0.679 -0.042 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.479 6.244 2.267 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.653 9.985 6.546 1.00 1.00 H new HETATM 0 H2A HEC A 201 -0.871 7.209 1.620 1.00 1.00 H new