USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 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 Single : A 33 THR OG1 : rot 78:sc= 0.845 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0249 F(o=-0.55,f=0.025) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 44 ASN : amide:sc= -0.661 K(o=-0.66,f=-3.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -2.58 F(o=-3.7!,f=-2.6) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.144 F(o=-1.6,f=-0.14) USER MOD Single : A 64 THR OG1 : rot 173:sc= -2.75! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -147:sc= -0.415 (180deg=-2.08!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 75:sc= 1.92 USER MOD Single : A 201 HEC O2A : rot 180:sc= -4.3! USER MOD Single : A 201 HEC O2D : rot 177:sc= -1.98 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -10.519 -8.571 -7.250 1.00 1.00 N ATOM 2 CA ALA A 25 -11.273 -9.416 -6.340 1.00 1.00 C ATOM 3 C ALA A 25 -10.303 -10.287 -5.538 1.00 1.00 C ATOM 4 O ALA A 25 -9.735 -11.240 -6.069 1.00 1.00 O ATOM 5 CB ALA A 25 -12.283 -10.248 -7.134 1.00 1.00 C ATOM 0 HA ALA A 25 -11.836 -8.809 -5.631 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.849 -10.882 -6.451 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -12.966 -9.583 -7.662 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.754 -10.872 -7.854 1.00 1.00 H new ATOM 11 N GLY A 26 -10.144 -9.928 -4.273 1.00 1.00 N ATOM 12 CA GLY A 26 -9.253 -10.664 -3.392 1.00 1.00 C ATOM 13 C GLY A 26 -8.228 -9.731 -2.744 1.00 1.00 C ATOM 14 O GLY A 26 -8.339 -9.406 -1.563 1.00 1.00 O ATOM 0 H GLY A 26 -10.617 -9.137 -3.837 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -9.834 -11.165 -2.618 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -8.737 -11.441 -3.957 1.00 1.00 H new ATOM 18 N GLY A 27 -7.254 -9.327 -3.546 1.00 1.00 N ATOM 19 CA GLY A 27 -6.210 -8.438 -3.065 1.00 1.00 C ATOM 20 C GLY A 27 -6.802 -7.288 -2.248 1.00 1.00 C ATOM 21 O GLY A 27 -6.158 -6.775 -1.335 1.00 1.00 O ATOM 0 H GLY A 27 -7.166 -9.599 -4.525 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -5.504 -8.998 -2.452 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -5.650 -8.038 -3.910 1.00 1.00 H new ATOM 25 N GLY A 28 -8.022 -6.917 -2.608 1.00 1.00 N ATOM 26 CA GLY A 28 -8.709 -5.837 -1.920 1.00 1.00 C ATOM 27 C GLY A 28 -9.159 -6.274 -0.524 1.00 1.00 C ATOM 28 O GLY A 28 -8.894 -5.587 0.461 1.00 1.00 O ATOM 0 H GLY A 28 -8.552 -7.345 -3.367 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.048 -4.974 -1.839 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -9.575 -5.522 -2.503 1.00 1.00 H new ATOM 32 N GLU A 29 -9.833 -7.414 -0.485 1.00 1.00 N ATOM 33 CA GLU A 29 -10.322 -7.951 0.773 1.00 1.00 C ATOM 34 C GLU A 29 -9.201 -7.973 1.813 1.00 1.00 C ATOM 35 O GLU A 29 -9.464 -7.987 3.015 1.00 1.00 O ATOM 36 CB GLU A 29 -10.917 -9.347 0.579 1.00 1.00 C ATOM 37 CG GLU A 29 -11.626 -9.823 1.849 1.00 1.00 C ATOM 38 CD GLU A 29 -11.306 -11.290 2.139 1.00 1.00 C ATOM 39 OE1 GLU A 29 -10.126 -11.668 2.195 1.00 1.00 O ATOM 40 OE2 GLU A 29 -12.335 -12.049 2.310 1.00 1.00 O ATOM 0 H GLU A 29 -10.052 -7.980 -1.305 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.117 -7.300 1.138 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.622 -9.333 -0.252 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.127 -10.049 0.315 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.319 -9.206 2.694 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -12.703 -9.697 1.737 1.00 1.00 H new ATOM 48 N LEU A 30 -7.973 -7.975 1.314 1.00 1.00 N ATOM 49 CA LEU A 30 -6.811 -7.994 2.185 1.00 1.00 C ATOM 50 C LEU A 30 -6.481 -6.565 2.620 1.00 1.00 C ATOM 51 O LEU A 30 -6.164 -6.324 3.784 1.00 1.00 O ATOM 52 CB LEU A 30 -5.644 -8.715 1.506 1.00 1.00 C ATOM 53 CG LEU A 30 -5.926 -10.139 1.023 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.636 -10.833 0.581 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.673 -10.943 2.090 1.00 1.00 C ATOM 0 H LEU A 30 -7.758 -7.964 0.317 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.023 -8.562 3.091 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.323 -8.120 0.651 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.808 -8.748 2.204 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.576 -10.081 0.150 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.864 -11.844 0.242 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.182 -10.271 -0.235 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.942 -10.880 1.420 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.861 -11.951 1.721 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.069 -10.995 2.996 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.622 -10.456 2.314 1.00 1.00 H new ATOM 67 N PHE A 31 -6.567 -5.654 1.662 1.00 1.00 N ATOM 68 CA PHE A 31 -6.281 -4.255 1.932 1.00 1.00 C ATOM 69 C PHE A 31 -7.364 -3.635 2.818 1.00 1.00 C ATOM 70 O PHE A 31 -7.122 -2.637 3.494 1.00 1.00 O ATOM 71 CB PHE A 31 -6.267 -3.533 0.583 1.00 1.00 C ATOM 72 CG PHE A 31 -6.343 -2.009 0.692 1.00 1.00 C ATOM 73 CD1 PHE A 31 -7.494 -1.413 1.103 1.00 1.00 C ATOM 74 CD2 PHE A 31 -5.258 -1.250 0.379 1.00 1.00 C ATOM 75 CE1 PHE A 31 -7.563 0.002 1.204 1.00 1.00 C ATOM 76 CE2 PHE A 31 -5.328 0.164 0.480 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.479 0.761 0.890 1.00 1.00 C ATOM 0 H PHE A 31 -6.831 -5.857 0.698 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.328 -4.164 2.452 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.357 -3.804 0.047 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.107 -3.887 -0.015 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -8.355 -2.015 1.352 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -4.343 -1.724 0.054 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -8.477 0.476 1.530 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -4.467 0.766 0.231 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.532 1.837 0.966 1.00 1.00 H new ATOM 87 N ALA A 32 -8.536 -4.253 2.785 1.00 1.00 N ATOM 88 CA ALA A 32 -9.656 -3.775 3.576 1.00 1.00 C ATOM 89 C ALA A 32 -9.672 -4.502 4.922 1.00 1.00 C ATOM 90 O ALA A 32 -10.723 -4.949 5.379 1.00 1.00 O ATOM 91 CB ALA A 32 -10.956 -3.972 2.793 1.00 1.00 C ATOM 0 H ALA A 32 -8.733 -5.081 2.223 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.555 -2.709 3.778 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.796 -3.613 3.387 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.907 -3.412 1.859 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.092 -5.031 2.574 1.00 1.00 H new ATOM 97 N THR A 33 -8.493 -4.597 5.521 1.00 1.00 N ATOM 98 CA THR A 33 -8.358 -5.262 6.806 1.00 1.00 C ATOM 99 C THR A 33 -6.960 -5.030 7.382 1.00 1.00 C ATOM 100 O THR A 33 -6.808 -4.816 8.583 1.00 1.00 O ATOM 101 CB THR A 33 -8.696 -6.742 6.610 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.112 -6.798 6.768 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.160 -7.619 7.743 1.00 1.00 C ATOM 0 H THR A 33 -7.623 -4.225 5.140 1.00 1.00 H new ATOM 0 HA THR A 33 -9.051 -4.849 7.540 1.00 1.00 H new ATOM 0 HB THR A 33 -8.287 -7.086 5.660 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.545 -6.476 5.950 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.427 -8.659 7.555 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.075 -7.526 7.793 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.596 -7.298 8.689 1.00 1.00 H new ATOM 111 N HIS A 34 -5.975 -5.079 6.498 1.00 1.00 N ATOM 112 CA HIS A 34 -4.594 -4.876 6.904 1.00 1.00 C ATOM 113 C HIS A 34 -4.148 -3.464 6.519 1.00 1.00 C ATOM 114 O HIS A 34 -3.057 -3.032 6.887 1.00 1.00 O ATOM 115 CB HIS A 34 -3.691 -5.964 6.318 1.00 1.00 C ATOM 116 CG HIS A 34 -4.159 -7.371 6.603 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.851 -8.254 5.826 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -3.926 -8.009 7.808 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -5.029 -9.372 6.519 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.456 -9.222 7.748 1.00 1.00 N flip ATOM 0 H HIS A 34 -6.105 -5.256 5.502 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.513 -4.962 7.988 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.626 -5.825 5.239 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.684 -5.839 6.716 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.176 -8.084 4.874 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.401 -7.590 8.654 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.543 -10.255 6.168 1.00 1.00 H new ATOM 128 N CYS A 35 -5.015 -2.784 5.783 1.00 1.00 N ATOM 129 CA CYS A 35 -4.725 -1.430 5.344 1.00 1.00 C ATOM 130 C CYS A 35 -5.913 -0.540 5.714 1.00 1.00 C ATOM 131 O CYS A 35 -5.732 0.549 6.255 1.00 1.00 O ATOM 132 CB CYS A 35 -4.414 -1.375 3.847 1.00 1.00 C ATOM 133 SG CYS A 35 -3.399 -2.763 3.222 1.00 1.00 S ATOM 0 H CYS A 35 -5.919 -3.146 5.480 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.829 -1.066 5.847 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.354 -1.354 3.296 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.897 -0.440 3.632 1.00 1.00 H new ATOM 138 N ALA A 36 -7.102 -1.037 5.406 1.00 1.00 N ATOM 139 CA ALA A 36 -8.320 -0.300 5.699 1.00 1.00 C ATOM 140 C ALA A 36 -8.178 0.392 7.056 1.00 1.00 C ATOM 141 O ALA A 36 -8.705 1.485 7.258 1.00 1.00 O ATOM 142 CB ALA A 36 -9.516 -1.253 5.653 1.00 1.00 C ATOM 0 H ALA A 36 -7.248 -1.941 4.957 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.490 0.474 4.951 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.430 -0.701 5.873 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.590 -1.697 4.660 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.382 -2.041 6.393 1.00 1.00 H new ATOM 148 N GLY A 37 -7.463 -0.273 7.952 1.00 1.00 N ATOM 149 CA GLY A 37 -7.245 0.265 9.284 1.00 1.00 C ATOM 150 C GLY A 37 -6.098 1.278 9.285 1.00 1.00 C ATOM 151 O GLY A 37 -5.219 1.224 10.144 1.00 1.00 O ATOM 0 H GLY A 37 -7.027 -1.179 7.781 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.157 0.743 9.641 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -7.019 -0.547 9.975 1.00 1.00 H new ATOM 155 N CYS A 38 -6.145 2.178 8.314 1.00 1.00 N ATOM 156 CA CYS A 38 -5.121 3.201 8.193 1.00 1.00 C ATOM 157 C CYS A 38 -5.295 3.898 6.842 1.00 1.00 C ATOM 158 O CYS A 38 -5.008 5.087 6.710 1.00 1.00 O ATOM 159 CB CYS A 38 -3.716 2.618 8.357 1.00 1.00 C ATOM 160 SG CYS A 38 -3.011 3.125 9.968 1.00 1.00 S ATOM 0 H CYS A 38 -6.876 2.220 7.604 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.236 3.930 8.995 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.755 1.531 8.294 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.074 2.961 7.546 1.00 1.00 H new ATOM 165 N HIS A 39 -5.766 3.128 5.872 1.00 1.00 N ATOM 166 CA HIS A 39 -5.982 3.656 4.535 1.00 1.00 C ATOM 167 C HIS A 39 -7.470 3.577 4.187 1.00 1.00 C ATOM 168 O HIS A 39 -7.883 2.918 3.236 1.00 1.00 O ATOM 169 CB HIS A 39 -5.096 2.937 3.517 1.00 1.00 C ATOM 170 CG HIS A 39 -3.636 3.316 3.596 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.182 4.602 3.359 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.535 2.567 3.890 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.865 4.614 3.505 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.466 3.351 3.833 1.00 1.00 N ATOM 0 H HIS A 39 -6.004 2.143 5.985 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.692 4.706 4.503 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.190 1.861 3.665 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.463 3.154 2.514 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.763 5.404 3.114 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.533 1.514 4.129 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.221 5.472 3.385 1.00 1.00 H new ATOM 182 N PRO A 40 -8.275 4.275 4.991 1.00 1.00 N ATOM 183 CA PRO A 40 -9.713 4.343 4.845 1.00 1.00 C ATOM 184 C PRO A 40 -10.065 5.225 3.656 1.00 1.00 C ATOM 185 O PRO A 40 -9.527 6.326 3.553 1.00 1.00 O ATOM 186 CB PRO A 40 -10.210 4.961 6.151 1.00 1.00 C ATOM 187 CG PRO A 40 -9.006 5.958 6.474 1.00 1.00 C ATOM 188 CD PRO A 40 -7.823 5.061 6.118 1.00 1.00 C ATOM 0 HA PRO A 40 -10.167 3.369 4.664 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.159 5.483 6.029 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.354 4.217 6.934 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.040 6.864 5.869 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.993 6.272 7.518 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.944 5.651 5.860 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.544 4.424 6.957 1.00 1.00 H new ATOM 196 N GLN A 41 -10.943 4.736 2.793 1.00 1.00 N ATOM 197 CA GLN A 41 -11.345 5.496 1.622 1.00 1.00 C ATOM 198 C GLN A 41 -10.118 6.089 0.927 1.00 1.00 C ATOM 199 O GLN A 41 -10.098 7.275 0.600 1.00 1.00 O ATOM 200 CB GLN A 41 -12.345 6.592 1.997 1.00 1.00 C ATOM 201 CG GLN A 41 -13.549 6.582 1.052 1.00 1.00 C ATOM 202 CD GLN A 41 -14.614 7.580 1.511 1.00 1.00 C ATOM 203 OE1 GLN A 41 -14.450 8.300 2.482 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.712 7.583 0.761 1.00 1.00 N ATOM 0 H GLN A 41 -11.388 3.822 2.881 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.841 4.819 0.926 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.682 6.446 3.023 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.855 7.565 1.958 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.225 6.830 0.041 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.977 5.580 1.013 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.785 6.954 -0.039 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -16.481 8.214 0.985 1.00 1.00 H new ATOM 213 N GLY A 42 -9.125 5.237 0.721 1.00 1.00 N ATOM 214 CA GLY A 42 -7.897 5.661 0.070 1.00 1.00 C ATOM 215 C GLY A 42 -7.306 6.891 0.763 1.00 1.00 C ATOM 216 O GLY A 42 -6.488 7.602 0.182 1.00 1.00 O ATOM 0 H GLY A 42 -9.146 4.254 0.994 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.173 4.847 0.086 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.096 5.890 -0.977 1.00 1.00 H new ATOM 220 N GLY A 43 -7.744 7.103 1.995 1.00 1.00 N ATOM 221 CA GLY A 43 -7.268 8.235 2.774 1.00 1.00 C ATOM 222 C GLY A 43 -6.167 7.807 3.746 1.00 1.00 C ATOM 223 O GLY A 43 -5.395 6.896 3.453 1.00 1.00 O ATOM 0 H GLY A 43 -8.423 6.511 2.473 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.888 9.007 2.105 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.097 8.674 3.329 1.00 1.00 H new ATOM 227 N ASN A 44 -6.130 8.486 4.884 1.00 1.00 N ATOM 228 CA ASN A 44 -5.137 8.188 5.901 1.00 1.00 C ATOM 229 C ASN A 44 -5.531 8.876 7.209 1.00 1.00 C ATOM 230 O ASN A 44 -6.217 9.896 7.196 1.00 1.00 O ATOM 231 CB ASN A 44 -3.757 8.706 5.491 1.00 1.00 C ATOM 232 CG ASN A 44 -2.777 7.549 5.281 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.021 6.418 5.665 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.659 7.896 4.650 1.00 1.00 N ATOM 0 H ASN A 44 -6.772 9.241 5.123 1.00 1.00 H new ATOM 0 HA ASN A 44 -5.094 7.106 6.024 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.841 9.287 4.573 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.373 9.377 6.259 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -0.942 7.196 4.461 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.519 8.862 4.355 1.00 1.00 H new ATOM 241 N THR A 45 -5.079 8.290 8.308 1.00 1.00 N ATOM 242 CA THR A 45 -5.376 8.833 9.623 1.00 1.00 C ATOM 243 C THR A 45 -4.086 9.254 10.330 1.00 1.00 C ATOM 244 O THR A 45 -4.122 9.735 11.461 1.00 1.00 O ATOM 245 CB THR A 45 -6.179 7.787 10.397 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.318 6.652 10.444 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.402 7.294 9.620 1.00 1.00 C ATOM 0 H THR A 45 -4.509 7.444 8.315 1.00 1.00 H new ATOM 0 HA THR A 45 -5.980 9.738 9.550 1.00 1.00 H new ATOM 0 HB THR A 45 -6.500 8.209 11.350 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.761 5.926 10.931 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.936 6.553 10.215 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.062 8.135 9.409 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.079 6.842 8.682 1.00 1.00 H new ATOM 255 N VAL A 46 -2.976 9.057 9.633 1.00 1.00 N ATOM 256 CA VAL A 46 -1.677 9.410 10.180 1.00 1.00 C ATOM 257 C VAL A 46 -1.148 10.654 9.463 1.00 1.00 C ATOM 258 O VAL A 46 -0.846 11.662 10.101 1.00 1.00 O ATOM 259 CB VAL A 46 -0.727 8.215 10.084 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.654 8.566 10.644 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.311 6.992 10.793 1.00 1.00 C ATOM 0 H VAL A 46 -2.950 8.658 8.695 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.762 9.656 11.238 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.608 7.966 9.030 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.310 7.699 10.564 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.077 9.395 10.076 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.560 8.854 11.691 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.616 6.157 10.710 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.474 7.225 11.845 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.260 6.722 10.330 1.00 1.00 H new ATOM 271 N HIS A 47 -1.050 10.542 8.146 1.00 1.00 N ATOM 272 CA HIS A 47 -0.562 11.645 7.335 1.00 1.00 C ATOM 273 C HIS A 47 -1.668 12.113 6.387 1.00 1.00 C ATOM 274 O HIS A 47 -2.110 11.393 5.495 1.00 1.00 O ATOM 275 CB HIS A 47 0.722 11.253 6.602 1.00 1.00 C ATOM 276 CG HIS A 47 1.901 11.014 7.514 1.00 1.00 C ATOM 277 ND1 HIS A 47 2.026 11.154 8.865 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.131 10.578 7.051 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.264 10.820 9.208 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 3.951 10.463 8.085 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.300 9.704 7.620 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.302 12.487 7.977 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.536 10.349 6.022 1.00 1.00 H new ATOM 0 HB3 HIS A 47 0.978 12.040 5.893 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.380 10.367 6.021 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.662 10.829 10.212 1.00 1.00 H new ATOM 0 HE2 HIS A 47 4.924 10.161 8.048 1.00 1.00 H new ATOM 288 N PRO A 48 -2.109 13.354 6.603 1.00 1.00 N ATOM 289 CA PRO A 48 -3.146 13.999 5.826 1.00 1.00 C ATOM 290 C PRO A 48 -2.535 14.630 4.584 1.00 1.00 C ATOM 291 O PRO A 48 -3.198 15.445 3.945 1.00 1.00 O ATOM 292 CB PRO A 48 -3.724 15.065 6.754 1.00 1.00 C ATOM 293 CG PRO A 48 -2.467 15.488 7.543 1.00 1.00 C ATOM 294 CD PRO A 48 -1.610 14.229 7.643 1.00 1.00 C ATOM 0 HA PRO A 48 -3.915 13.305 5.485 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.163 15.896 6.203 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.503 14.667 7.404 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -1.932 16.288 7.031 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.731 15.863 8.532 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.554 14.457 7.495 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.701 13.766 8.626 1.00 1.00 H new ATOM 302 N GLU A 49 -1.305 14.252 4.269 1.00 1.00 N ATOM 303 CA GLU A 49 -0.630 14.796 3.103 1.00 1.00 C ATOM 304 C GLU A 49 -0.003 13.669 2.279 1.00 1.00 C ATOM 305 O GLU A 49 0.697 13.926 1.301 1.00 1.00 O ATOM 306 CB GLU A 49 0.423 15.828 3.510 1.00 1.00 C ATOM 307 CG GLU A 49 1.476 15.204 4.429 1.00 1.00 C ATOM 308 CD GLU A 49 2.797 15.971 4.349 1.00 1.00 C ATOM 309 OE1 GLU A 49 3.016 16.731 3.394 1.00 1.00 O ATOM 310 OE2 GLU A 49 3.612 15.757 5.325 1.00 1.00 O ATOM 0 H GLU A 49 -0.758 13.575 4.801 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.369 15.305 2.484 1.00 1.00 H new ATOM 0 HB2 GLU A 49 0.905 16.231 2.620 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -0.059 16.664 4.018 1.00 1.00 H new ATOM 0 HG2 GLU A 49 1.113 15.204 5.457 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.638 14.163 4.148 1.00 1.00 H new ATOM 318 N LYS A 50 -0.278 12.445 2.704 1.00 1.00 N ATOM 319 CA LYS A 50 0.250 11.278 2.017 1.00 1.00 C ATOM 320 C LYS A 50 -0.892 10.302 1.727 1.00 1.00 C ATOM 321 O LYS A 50 -1.194 9.434 2.544 1.00 1.00 O ATOM 322 CB LYS A 50 1.398 10.660 2.817 1.00 1.00 C ATOM 323 CG LYS A 50 2.465 11.707 3.144 1.00 1.00 C ATOM 324 CD LYS A 50 3.763 11.422 2.386 1.00 1.00 C ATOM 325 CE LYS A 50 4.833 12.463 2.721 1.00 1.00 C ATOM 326 NZ LYS A 50 6.160 12.015 2.240 1.00 1.00 N ATOM 0 H LYS A 50 -0.859 12.236 3.515 1.00 1.00 H new ATOM 0 HA LYS A 50 0.678 11.563 1.056 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.012 10.229 3.741 1.00 1.00 H new ATOM 0 HB3 LYS A 50 1.845 9.845 2.248 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.098 12.700 2.883 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.659 11.711 4.217 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.126 10.427 2.641 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.570 11.426 1.313 1.00 1.00 H new ATOM 0 HE2 LYS A 50 4.576 13.418 2.262 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.866 12.626 3.798 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 6.875 12.733 2.475 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.409 11.115 2.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 6.129 11.882 1.209 1.00 1.00 H new ATOM 339 N THR A 51 -1.495 10.478 0.560 1.00 1.00 N ATOM 340 CA THR A 51 -2.598 9.624 0.152 1.00 1.00 C ATOM 341 C THR A 51 -2.121 8.591 -0.872 1.00 1.00 C ATOM 342 O THR A 51 -0.921 8.446 -1.100 1.00 1.00 O ATOM 343 CB THR A 51 -3.723 10.520 -0.368 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.188 11.093 -1.559 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.981 11.723 0.541 1.00 1.00 C ATOM 0 H THR A 51 -1.241 11.199 -0.115 1.00 1.00 H new ATOM 0 HA THR A 51 -2.985 9.048 0.993 1.00 1.00 H new ATOM 0 HB THR A 51 -4.638 9.935 -0.464 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.854 11.688 -1.963 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.789 12.326 0.126 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.262 11.374 1.535 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.076 12.327 0.611 1.00 1.00 H new ATOM 353 N LEU A 52 -3.086 7.900 -1.461 1.00 1.00 N ATOM 354 CA LEU A 52 -2.780 6.885 -2.454 1.00 1.00 C ATOM 355 C LEU A 52 -2.926 7.487 -3.853 1.00 1.00 C ATOM 356 O LEU A 52 -3.105 6.761 -4.830 1.00 1.00 O ATOM 357 CB LEU A 52 -3.638 5.639 -2.229 1.00 1.00 C ATOM 358 CG LEU A 52 -3.448 4.928 -0.887 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.370 3.712 -0.776 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.981 4.556 -0.666 1.00 1.00 C ATOM 0 H LEU A 52 -4.080 8.023 -1.269 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.746 6.554 -2.354 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.686 5.922 -2.323 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.427 4.928 -3.028 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.728 5.619 -0.092 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.215 3.225 0.187 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.408 4.034 -0.857 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.144 3.010 -1.579 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.874 4.052 0.295 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.650 3.891 -1.463 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.372 5.460 -0.672 1.00 1.00 H new ATOM 372 N ALA A 53 -2.844 8.809 -3.906 1.00 1.00 N ATOM 373 CA ALA A 53 -2.964 9.516 -5.169 1.00 1.00 C ATOM 374 C ALA A 53 -1.623 9.470 -5.905 1.00 1.00 C ATOM 375 O ALA A 53 -0.574 9.698 -5.305 1.00 1.00 O ATOM 376 CB ALA A 53 -3.438 10.948 -4.909 1.00 1.00 C ATOM 0 H ALA A 53 -2.696 9.408 -3.094 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.706 9.037 -5.808 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.528 11.479 -5.857 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.408 10.926 -4.412 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.716 11.460 -4.273 1.00 1.00 H new ATOM 382 N ARG A 54 -1.702 9.174 -7.194 1.00 1.00 N ATOM 383 CA ARG A 54 -0.508 9.095 -8.018 1.00 1.00 C ATOM 384 C ARG A 54 0.301 10.389 -7.905 1.00 1.00 C ATOM 385 O ARG A 54 1.524 10.351 -7.778 1.00 1.00 O ATOM 386 CB ARG A 54 -0.866 8.851 -9.485 1.00 1.00 C ATOM 387 CG ARG A 54 0.389 8.839 -10.361 1.00 1.00 C ATOM 388 CD ARG A 54 0.028 8.627 -11.832 1.00 1.00 C ATOM 389 NE ARG A 54 0.535 9.754 -12.646 1.00 1.00 N ATOM 390 CZ ARG A 54 -0.116 10.926 -12.803 1.00 1.00 C ATOM 391 NH1 ARG A 54 0.431 11.866 -13.553 1.00 1.00 N ATOM 392 NH2 ARG A 54 -1.307 11.135 -12.204 1.00 1.00 N ATOM 0 H ARG A 54 -2.574 8.986 -7.688 1.00 1.00 H new ATOM 0 HA ARG A 54 0.089 8.257 -7.658 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.391 7.900 -9.582 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.548 9.628 -9.831 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.926 9.781 -10.247 1.00 1.00 H new ATOM 0 HG3 ARG A 54 1.061 8.047 -10.030 1.00 1.00 H new ATOM 0 HD2 ARG A 54 0.455 7.690 -12.188 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -1.053 8.546 -11.941 1.00 1.00 H new ATOM 0 HE ARG A 54 1.432 9.638 -13.118 1.00 1.00 H new ATOM 0 HH11 ARG A 54 1.331 11.700 -14.003 1.00 1.00 H new ATOM 0 HH12 ARG A 54 -0.047 12.758 -13.682 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -1.723 10.404 -11.627 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -1.791 12.024 -12.328 1.00 1.00 H new ATOM 402 N ALA A 55 -0.414 11.503 -7.956 1.00 1.00 N ATOM 403 CA ALA A 55 0.222 12.806 -7.862 1.00 1.00 C ATOM 404 C ALA A 55 1.303 12.763 -6.780 1.00 1.00 C ATOM 405 O ALA A 55 2.392 13.306 -6.964 1.00 1.00 O ATOM 406 CB ALA A 55 -0.839 13.873 -7.584 1.00 1.00 C ATOM 0 H ALA A 55 -1.428 11.530 -8.061 1.00 1.00 H new ATOM 0 HA ALA A 55 0.707 13.066 -8.803 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.362 14.851 -7.513 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.567 13.882 -8.395 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.345 13.647 -6.645 1.00 1.00 H new ATOM 412 N ARG A 56 0.966 12.113 -5.676 1.00 1.00 N ATOM 413 CA ARG A 56 1.895 11.993 -4.565 1.00 1.00 C ATOM 414 C ARG A 56 2.808 10.782 -4.766 1.00 1.00 C ATOM 415 O ARG A 56 4.023 10.883 -4.605 1.00 1.00 O ATOM 416 CB ARG A 56 1.149 11.846 -3.237 1.00 1.00 C ATOM 417 CG ARG A 56 0.847 13.215 -2.624 1.00 1.00 C ATOM 418 CD ARG A 56 -0.463 13.785 -3.173 1.00 1.00 C ATOM 419 NE ARG A 56 -1.385 14.099 -2.059 1.00 1.00 N ATOM 420 CZ ARG A 56 -1.090 14.944 -1.048 1.00 1.00 C ATOM 421 NH1 ARG A 56 -1.989 15.151 -0.104 1.00 1.00 N ATOM 422 NH2 ARG A 56 0.107 15.568 -1.003 1.00 1.00 N ATOM 0 H ARG A 56 0.062 11.664 -5.527 1.00 1.00 H new ATOM 0 HA ARG A 56 2.494 12.903 -4.533 1.00 1.00 H new ATOM 0 HB2 ARG A 56 0.218 11.302 -3.397 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.748 11.257 -2.543 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.783 13.126 -1.540 1.00 1.00 H new ATOM 0 HG3 ARG A 56 1.665 13.902 -2.839 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -0.262 14.685 -3.754 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -0.927 13.066 -3.848 1.00 1.00 H new ATOM 0 HE ARG A 56 -2.300 13.649 -2.055 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -2.891 14.676 -0.145 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -1.782 15.786 0.667 1.00 1.00 H new ATOM 0 HH21 ARG A 56 0.796 15.402 -1.736 1.00 1.00 H new ATOM 0 HH22 ARG A 56 0.322 16.205 -0.236 1.00 1.00 H new ATOM 432 N ARG A 57 2.187 9.664 -5.113 1.00 1.00 N ATOM 433 CA ARG A 57 2.929 8.435 -5.337 1.00 1.00 C ATOM 434 C ARG A 57 4.018 8.656 -6.389 1.00 1.00 C ATOM 435 O ARG A 57 4.965 7.876 -6.481 1.00 1.00 O ATOM 436 CB ARG A 57 2.003 7.309 -5.802 1.00 1.00 C ATOM 437 CG ARG A 57 1.944 6.185 -4.766 1.00 1.00 C ATOM 438 CD ARG A 57 0.560 6.106 -4.120 1.00 1.00 C ATOM 439 NE ARG A 57 -0.431 5.616 -5.103 1.00 1.00 N ATOM 440 CZ ARG A 57 -0.479 4.346 -5.561 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.407 4.017 -6.440 1.00 1.00 N ATOM 442 NH2 ARG A 57 0.410 3.428 -5.126 1.00 1.00 N ATOM 0 H ARG A 57 1.179 9.584 -5.244 1.00 1.00 H new ATOM 0 HA ARG A 57 3.386 8.147 -4.390 1.00 1.00 H new ATOM 0 HB2 ARG A 57 1.002 7.704 -5.973 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.356 6.913 -6.754 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.182 5.234 -5.242 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.699 6.354 -3.998 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.590 5.439 -3.258 1.00 1.00 H new ATOM 0 HD3 ARG A 57 0.265 7.089 -3.753 1.00 1.00 H new ATOM 0 HE ARG A 57 -1.121 6.278 -5.457 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -2.074 4.717 -6.764 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -1.457 3.062 -6.796 1.00 1.00 H new ATOM 0 HH21 ARG A 57 1.124 3.691 -4.447 1.00 1.00 H new ATOM 0 HH22 ARG A 57 0.368 2.471 -5.476 1.00 1.00 H new ATOM 452 N GLU A 58 3.848 9.724 -7.155 1.00 1.00 N ATOM 453 CA GLU A 58 4.805 10.057 -8.197 1.00 1.00 C ATOM 454 C GLU A 58 6.048 10.708 -7.586 1.00 1.00 C ATOM 455 O GLU A 58 7.173 10.340 -7.922 1.00 1.00 O ATOM 456 CB GLU A 58 4.172 10.967 -9.251 1.00 1.00 C ATOM 457 CG GLU A 58 4.558 12.429 -9.017 1.00 1.00 C ATOM 458 CD GLU A 58 3.946 13.336 -10.087 1.00 1.00 C ATOM 459 OE1 GLU A 58 3.908 12.963 -11.268 1.00 1.00 O ATOM 460 OE2 GLU A 58 3.499 14.466 -9.653 1.00 1.00 O ATOM 0 H GLU A 58 3.062 10.370 -7.075 1.00 1.00 H new ATOM 0 HA GLU A 58 5.108 9.136 -8.694 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.494 10.657 -10.245 1.00 1.00 H new ATOM 0 HB3 GLU A 58 3.087 10.864 -9.221 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.219 12.745 -8.030 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.643 12.529 -9.028 1.00 1.00 H new ATOM 468 N ALA A 59 5.804 11.663 -6.701 1.00 1.00 N ATOM 469 CA ALA A 59 6.889 12.367 -6.041 1.00 1.00 C ATOM 470 C ALA A 59 7.882 11.350 -5.475 1.00 1.00 C ATOM 471 O ALA A 59 9.082 11.441 -5.729 1.00 1.00 O ATOM 472 CB ALA A 59 6.319 13.288 -4.961 1.00 1.00 C ATOM 0 H ALA A 59 4.870 11.966 -6.426 1.00 1.00 H new ATOM 0 HA ALA A 59 7.428 12.993 -6.752 1.00 1.00 H new ATOM 0 HB1 ALA A 59 7.134 13.816 -4.466 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.643 14.011 -5.419 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.773 12.694 -4.228 1.00 1.00 H new ATOM 478 N ASN A 60 7.345 10.404 -4.719 1.00 1.00 N ATOM 479 CA ASN A 60 8.168 9.370 -4.115 1.00 1.00 C ATOM 480 C ASN A 60 8.507 8.313 -5.168 1.00 1.00 C ATOM 481 O ASN A 60 9.591 7.734 -5.146 1.00 1.00 O ATOM 482 CB ASN A 60 7.430 8.677 -2.969 1.00 1.00 C ATOM 483 CG ASN A 60 6.745 9.699 -2.060 1.00 1.00 C ATOM 484 OD1 ASN A 60 7.378 10.866 -1.985 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 5.710 9.445 -1.465 1.00 1.00 N flip ATOM 0 H ASN A 60 6.349 10.332 -4.511 1.00 1.00 H new ATOM 0 HA ASN A 60 9.071 9.842 -3.728 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.687 7.989 -3.373 1.00 1.00 H new ATOM 0 HB3 ASN A 60 8.133 8.081 -2.387 1.00 1.00 H new ATOM 0 HD21 ASN A 60 5.275 8.528 -1.567 1.00 1.00 H new ATOM 0 HD22 ASN A 60 5.280 10.150 -0.866 1.00 1.00 H new ATOM 492 N GLY A 61 7.557 8.094 -6.067 1.00 1.00 N ATOM 493 CA GLY A 61 7.741 7.117 -7.126 1.00 1.00 C ATOM 494 C GLY A 61 7.242 5.738 -6.692 1.00 1.00 C ATOM 495 O GLY A 61 8.040 4.843 -6.416 1.00 1.00 O ATOM 0 H GLY A 61 6.659 8.577 -6.083 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.204 7.438 -8.019 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.796 7.059 -7.392 1.00 1.00 H new ATOM 499 N ILE A 62 5.924 5.608 -6.646 1.00 1.00 N ATOM 500 CA ILE A 62 5.309 4.352 -6.250 1.00 1.00 C ATOM 501 C ILE A 62 4.147 4.039 -7.195 1.00 1.00 C ATOM 502 O ILE A 62 3.020 3.830 -6.750 1.00 1.00 O ATOM 503 CB ILE A 62 4.908 4.394 -4.774 1.00 1.00 C ATOM 504 CG1 ILE A 62 6.128 4.624 -3.880 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.137 3.133 -4.380 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.803 4.310 -2.418 1.00 1.00 C ATOM 0 H ILE A 62 5.265 6.352 -6.876 1.00 1.00 H new ATOM 0 HA ILE A 62 6.023 3.533 -6.339 1.00 1.00 H new ATOM 0 HB ILE A 62 4.238 5.241 -4.626 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.953 3.996 -4.216 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.459 5.659 -3.969 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.864 3.188 -3.326 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.234 3.055 -4.985 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.763 2.257 -4.547 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.687 4.482 -1.804 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.994 4.957 -2.078 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.496 3.268 -2.329 1.00 1.00 H new ATOM 518 N ARG A 63 4.463 4.016 -8.482 1.00 1.00 N ATOM 519 CA ARG A 63 3.459 3.731 -9.493 1.00 1.00 C ATOM 520 C ARG A 63 3.722 2.366 -10.133 1.00 1.00 C ATOM 521 O ARG A 63 3.868 2.265 -11.350 1.00 1.00 O ATOM 522 CB ARG A 63 3.454 4.805 -10.583 1.00 1.00 C ATOM 523 CG ARG A 63 3.896 6.158 -10.021 1.00 1.00 C ATOM 524 CD ARG A 63 5.381 6.407 -10.294 1.00 1.00 C ATOM 525 NE ARG A 63 5.538 7.297 -11.465 1.00 1.00 N ATOM 526 CZ ARG A 63 6.657 8.001 -11.736 1.00 1.00 C ATOM 527 NH1 ARG A 63 6.687 8.766 -12.811 1.00 1.00 N ATOM 528 NH2 ARG A 63 7.729 7.925 -10.920 1.00 1.00 N ATOM 0 H ARG A 63 5.399 4.190 -8.847 1.00 1.00 H new ATOM 0 HA ARG A 63 2.486 3.724 -9.001 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.120 4.509 -11.394 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.454 4.893 -11.008 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.302 6.954 -10.470 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.710 6.188 -8.947 1.00 1.00 H new ATOM 0 HD2 ARG A 63 5.849 6.858 -9.419 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.890 5.460 -10.476 1.00 1.00 H new ATOM 0 HE ARG A 63 4.751 7.384 -12.108 1.00 1.00 H new ATOM 0 HH11 ARG A 63 5.872 8.819 -13.422 1.00 1.00 H new ATOM 0 HH12 ARG A 63 7.525 9.305 -13.030 1.00 1.00 H new ATOM 0 HH21 ARG A 63 7.698 7.332 -10.091 1.00 1.00 H new ATOM 0 HH22 ARG A 63 8.571 8.461 -11.133 1.00 1.00 H new ATOM 538 N THR A 64 3.775 1.350 -9.284 1.00 1.00 N ATOM 539 CA THR A 64 4.019 -0.004 -9.751 1.00 1.00 C ATOM 540 C THR A 64 3.438 -1.020 -8.766 1.00 1.00 C ATOM 541 O THR A 64 3.302 -0.731 -7.578 1.00 1.00 O ATOM 542 CB THR A 64 5.524 -0.164 -9.973 1.00 1.00 C ATOM 543 OG1 THR A 64 6.103 0.259 -8.741 1.00 1.00 O ATOM 544 CG2 THR A 64 6.073 0.826 -11.002 1.00 1.00 C ATOM 0 H THR A 64 3.653 1.438 -8.275 1.00 1.00 H new ATOM 0 HA THR A 64 3.515 -0.193 -10.699 1.00 1.00 H new ATOM 0 HB THR A 64 5.736 -1.182 -10.300 1.00 1.00 H new ATOM 0 HG1 THR A 64 7.067 0.080 -8.754 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.145 0.669 -11.122 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.575 0.670 -11.959 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.891 1.845 -10.660 1.00 1.00 H new ATOM 552 N VAL A 65 3.111 -2.190 -9.296 1.00 1.00 N ATOM 553 CA VAL A 65 2.548 -3.251 -8.479 1.00 1.00 C ATOM 554 C VAL A 65 3.596 -3.722 -7.469 1.00 1.00 C ATOM 555 O VAL A 65 3.379 -3.644 -6.261 1.00 1.00 O ATOM 556 CB VAL A 65 2.028 -4.379 -9.371 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.780 -5.652 -8.558 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.763 -3.950 -10.117 1.00 1.00 C ATOM 0 H VAL A 65 3.225 -2.426 -10.282 1.00 1.00 H new ATOM 0 HA VAL A 65 1.693 -2.883 -7.912 1.00 1.00 H new ATOM 0 HB VAL A 65 2.796 -4.600 -10.113 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.411 -6.438 -9.217 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.712 -5.975 -8.094 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.040 -5.451 -7.783 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.414 -4.771 -10.744 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -0.013 -3.688 -9.397 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.985 -3.085 -10.742 1.00 1.00 H new ATOM 568 N ARG A 66 4.712 -4.200 -8.002 1.00 1.00 N ATOM 569 CA ARG A 66 5.794 -4.683 -7.162 1.00 1.00 C ATOM 570 C ARG A 66 6.025 -3.727 -5.990 1.00 1.00 C ATOM 571 O ARG A 66 5.870 -4.110 -4.832 1.00 1.00 O ATOM 572 CB ARG A 66 7.092 -4.821 -7.962 1.00 1.00 C ATOM 573 CG ARG A 66 6.950 -5.877 -9.059 1.00 1.00 C ATOM 574 CD ARG A 66 7.658 -7.175 -8.666 1.00 1.00 C ATOM 575 NE ARG A 66 7.981 -7.962 -9.877 1.00 1.00 N ATOM 576 CZ ARG A 66 7.058 -8.562 -10.658 1.00 1.00 C ATOM 577 NH1 ARG A 66 7.460 -9.241 -11.717 1.00 1.00 N ATOM 578 NH2 ARG A 66 5.745 -8.470 -10.361 1.00 1.00 N ATOM 0 H ARG A 66 4.889 -4.263 -9.005 1.00 1.00 H new ATOM 0 HA ARG A 66 5.507 -5.664 -6.783 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.352 -3.861 -8.408 1.00 1.00 H new ATOM 0 HB3 ARG A 66 7.908 -5.094 -7.293 1.00 1.00 H new ATOM 0 HG2 ARG A 66 5.894 -6.076 -9.243 1.00 1.00 H new ATOM 0 HG3 ARG A 66 7.370 -5.497 -9.991 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.571 -6.949 -8.115 1.00 1.00 H new ATOM 0 HD3 ARG A 66 7.021 -7.759 -8.002 1.00 1.00 H new ATOM 0 HE ARG A 66 8.963 -8.057 -10.138 1.00 1.00 H new ATOM 0 HH11 ARG A 66 8.455 -9.306 -11.934 1.00 1.00 H new ATOM 0 HH12 ARG A 66 6.776 -9.701 -12.318 1.00 1.00 H new ATOM 0 HH21 ARG A 66 5.443 -7.944 -9.541 1.00 1.00 H new ATOM 0 HH22 ARG A 66 5.054 -8.926 -10.957 1.00 1.00 H new ATOM 588 N ASP A 67 6.392 -2.501 -6.332 1.00 1.00 N ATOM 589 CA ASP A 67 6.646 -1.487 -5.322 1.00 1.00 C ATOM 590 C ASP A 67 5.662 -1.669 -4.164 1.00 1.00 C ATOM 591 O ASP A 67 6.031 -1.509 -3.002 1.00 1.00 O ATOM 592 CB ASP A 67 6.449 -0.081 -5.892 1.00 1.00 C ATOM 593 CG ASP A 67 7.645 0.475 -6.668 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.028 1.643 -6.501 1.00 1.00 O ATOM 595 OD2 ASP A 67 8.198 -0.355 -7.485 1.00 1.00 O ATOM 0 H ASP A 67 6.520 -2.187 -7.294 1.00 1.00 H new ATOM 0 HA ASP A 67 7.676 -1.599 -4.984 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.580 -0.090 -6.550 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.220 0.599 -5.071 1.00 1.00 H new ATOM 601 N VAL A 68 4.431 -2.002 -4.523 1.00 1.00 N ATOM 602 CA VAL A 68 3.392 -2.207 -3.528 1.00 1.00 C ATOM 603 C VAL A 68 3.440 -3.656 -3.039 1.00 1.00 C ATOM 604 O VAL A 68 2.420 -4.343 -3.019 1.00 1.00 O ATOM 605 CB VAL A 68 2.030 -1.816 -4.105 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.916 -2.041 -3.081 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.039 -0.367 -4.597 1.00 1.00 C ATOM 0 H VAL A 68 4.130 -2.135 -5.488 1.00 1.00 H new ATOM 0 HA VAL A 68 3.560 -1.565 -2.663 1.00 1.00 H new ATOM 0 HB VAL A 68 1.832 -2.459 -4.962 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.042 -1.755 -3.516 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.887 -3.094 -2.800 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.108 -1.434 -2.196 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.059 -0.114 -5.002 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.270 0.298 -3.765 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.794 -0.251 -5.375 1.00 1.00 H new ATOM 617 N ALA A 69 4.636 -4.079 -2.656 1.00 1.00 N ATOM 618 CA ALA A 69 4.831 -5.434 -2.168 1.00 1.00 C ATOM 619 C ALA A 69 6.168 -5.518 -1.430 1.00 1.00 C ATOM 620 O ALA A 69 6.258 -6.137 -0.370 1.00 1.00 O ATOM 621 CB ALA A 69 4.748 -6.415 -3.340 1.00 1.00 C ATOM 0 H ALA A 69 5.480 -3.507 -2.674 1.00 1.00 H new ATOM 0 HA ALA A 69 4.047 -5.704 -1.460 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.894 -7.432 -2.975 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.769 -6.336 -3.812 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.522 -6.177 -4.069 1.00 1.00 H new ATOM 627 N ALA A 70 7.173 -4.887 -2.018 1.00 1.00 N ATOM 628 CA ALA A 70 8.502 -4.883 -1.429 1.00 1.00 C ATOM 629 C ALA A 70 8.520 -3.934 -0.229 1.00 1.00 C ATOM 630 O ALA A 70 8.702 -4.335 0.919 1.00 1.00 O ATOM 631 CB ALA A 70 9.531 -4.497 -2.493 1.00 1.00 C ATOM 0 H ALA A 70 7.094 -4.375 -2.896 1.00 1.00 H new ATOM 0 HA ALA A 70 8.765 -5.877 -1.067 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.527 -4.494 -2.051 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.498 -5.218 -3.310 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.302 -3.503 -2.877 1.00 1.00 H new ATOM 637 N TYR A 71 8.323 -2.647 -0.524 1.00 1.00 N ATOM 638 CA TYR A 71 8.314 -1.622 0.500 1.00 1.00 C ATOM 639 C TYR A 71 7.453 -2.071 1.672 1.00 1.00 C ATOM 640 O TYR A 71 7.952 -2.111 2.795 1.00 1.00 O ATOM 641 CB TYR A 71 7.784 -0.319 -0.092 1.00 1.00 C ATOM 642 CG TYR A 71 8.863 0.699 -0.372 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.851 1.932 0.291 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.877 0.410 -1.293 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.852 2.876 0.033 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.878 1.354 -1.551 1.00 1.00 C ATOM 647 CZ TYR A 71 10.865 2.587 -0.889 1.00 1.00 C ATOM 648 OH TYR A 71 11.841 3.507 -1.140 1.00 1.00 O ATOM 0 H TYR A 71 8.168 -2.298 -1.470 1.00 1.00 H new ATOM 0 HA TYR A 71 9.328 -1.456 0.863 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.254 -0.539 -1.019 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.057 0.114 0.595 1.00 1.00 H new ATOM 0 HD1 TYR A 71 8.069 2.155 1.002 1.00 1.00 H new ATOM 0 HD2 TYR A 71 9.887 -0.541 -1.804 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.843 3.827 0.545 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.661 1.131 -2.261 1.00 1.00 H new ATOM 0 HH TYR A 71 12.466 3.148 -1.804 1.00 1.00 H new ATOM 658 N ILE A 72 6.198 -2.396 1.396 1.00 1.00 N ATOM 659 CA ILE A 72 5.292 -2.838 2.443 1.00 1.00 C ATOM 660 C ILE A 72 6.042 -3.766 3.401 1.00 1.00 C ATOM 661 O ILE A 72 5.805 -3.740 4.608 1.00 1.00 O ATOM 662 CB ILE A 72 4.036 -3.465 1.835 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.393 -4.668 0.959 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.217 -2.423 1.072 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.263 -5.699 0.956 1.00 1.00 C ATOM 0 H ILE A 72 5.788 -2.362 0.463 1.00 1.00 H new ATOM 0 HA ILE A 72 4.943 -1.988 3.030 1.00 1.00 H new ATOM 0 HB ILE A 72 3.410 -3.833 2.648 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.589 -4.335 -0.060 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.310 -5.129 1.325 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.330 -2.895 0.650 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.915 -1.627 1.753 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.821 -2.003 0.268 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.543 -6.543 0.326 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.086 -6.048 1.973 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.354 -5.241 0.566 1.00 1.00 H new ATOM 677 N ARG A 73 6.930 -4.564 2.828 1.00 1.00 N ATOM 678 CA ARG A 73 7.715 -5.499 3.616 1.00 1.00 C ATOM 679 C ARG A 73 8.504 -4.753 4.694 1.00 1.00 C ATOM 680 O ARG A 73 8.244 -4.918 5.885 1.00 1.00 O ATOM 681 CB ARG A 73 8.688 -6.283 2.732 1.00 1.00 C ATOM 682 CG ARG A 73 9.073 -7.611 3.386 1.00 1.00 C ATOM 683 CD ARG A 73 10.383 -7.479 4.166 1.00 1.00 C ATOM 684 NE ARG A 73 11.432 -8.312 3.539 1.00 1.00 N ATOM 685 CZ ARG A 73 12.720 -8.340 3.944 1.00 1.00 C ATOM 686 NH1 ARG A 73 13.574 -9.122 3.310 1.00 1.00 N ATOM 687 NH2 ARG A 73 13.128 -7.578 4.981 1.00 1.00 N ATOM 0 H ARG A 73 7.124 -4.583 1.827 1.00 1.00 H new ATOM 0 HA ARG A 73 7.024 -6.199 4.086 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.232 -6.471 1.760 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.584 -5.688 2.554 1.00 1.00 H new ATOM 0 HG2 ARG A 73 8.277 -7.934 4.057 1.00 1.00 H new ATOM 0 HG3 ARG A 73 9.177 -8.380 2.621 1.00 1.00 H new ATOM 0 HD2 ARG A 73 10.700 -6.436 4.187 1.00 1.00 H new ATOM 0 HD3 ARG A 73 10.232 -7.787 5.201 1.00 1.00 H new ATOM 0 HE ARG A 73 11.166 -8.903 2.751 1.00 1.00 H new ATOM 0 HH11 ARG A 73 13.258 -9.694 2.527 1.00 1.00 H new ATOM 0 HH12 ARG A 73 14.550 -9.155 3.603 1.00 1.00 H new ATOM 0 HH21 ARG A 73 12.462 -6.976 5.464 1.00 1.00 H new ATOM 0 HH22 ARG A 73 14.103 -7.605 5.281 1.00 1.00 H new ATOM 697 N ASN A 74 9.452 -3.947 4.237 1.00 1.00 N ATOM 698 CA ASN A 74 10.280 -3.175 5.148 1.00 1.00 C ATOM 699 C ASN A 74 10.191 -1.693 4.779 1.00 1.00 C ATOM 700 O ASN A 74 11.113 -1.104 4.219 1.00 1.00 O ATOM 701 CB ASN A 74 11.747 -3.599 5.052 1.00 1.00 C ATOM 702 CG ASN A 74 12.492 -3.296 6.353 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.384 -2.465 6.409 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.078 -4.013 7.393 1.00 1.00 N ATOM 0 H ASN A 74 9.665 -3.812 3.249 1.00 1.00 H new ATOM 0 HA ASN A 74 9.920 -3.350 6.162 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.807 -4.665 4.834 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.227 -3.077 4.224 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.512 -3.884 8.307 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.326 -4.692 7.277 1.00 1.00 H new ATOM 711 N PRO A 75 9.044 -1.097 5.110 1.00 1.00 N ATOM 712 CA PRO A 75 8.746 0.296 4.858 1.00 1.00 C ATOM 713 C PRO A 75 9.396 1.160 5.930 1.00 1.00 C ATOM 714 O PRO A 75 9.972 0.609 6.867 1.00 1.00 O ATOM 715 CB PRO A 75 7.223 0.390 4.928 1.00 1.00 C ATOM 716 CG PRO A 75 6.849 -0.697 5.876 1.00 1.00 C ATOM 717 CD PRO A 75 7.940 -1.760 5.770 1.00 1.00 C ATOM 0 HA PRO A 75 9.125 0.643 3.897 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.898 1.366 5.288 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.767 0.243 3.949 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.777 -0.316 6.895 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.875 -1.115 5.622 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.231 -2.127 6.754 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.597 -2.622 5.197 1.00 1.00 H new ATOM 725 N GLY A 76 9.295 2.472 5.777 1.00 1.00 N ATOM 726 CA GLY A 76 9.882 3.385 6.743 1.00 1.00 C ATOM 727 C GLY A 76 8.941 3.608 7.929 1.00 1.00 C ATOM 728 O GLY A 76 7.915 2.948 8.081 1.00 1.00 O ATOM 0 H GLY A 76 8.816 2.925 4.999 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.831 2.984 7.098 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.099 4.339 6.262 1.00 1.00 H new ATOM 732 N PRO A 77 9.319 4.567 8.777 1.00 1.00 N ATOM 733 CA PRO A 77 8.580 4.946 9.962 1.00 1.00 C ATOM 734 C PRO A 77 7.204 5.459 9.564 1.00 1.00 C ATOM 735 O PRO A 77 7.053 5.945 8.443 1.00 1.00 O ATOM 736 CB PRO A 77 9.413 6.053 10.605 1.00 1.00 C ATOM 737 CG PRO A 77 10.302 6.575 9.531 1.00 1.00 C ATOM 738 CD PRO A 77 10.519 5.362 8.628 1.00 1.00 C ATOM 0 HA PRO A 77 8.422 4.114 10.648 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.774 6.842 11.000 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.996 5.667 11.441 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.837 7.400 8.991 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.243 6.948 9.935 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.667 5.663 7.591 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.404 4.801 8.927 1.00 1.00 H new ATOM 746 N GLY A 78 6.243 5.345 10.468 1.00 1.00 N ATOM 747 CA GLY A 78 4.893 5.803 10.187 1.00 1.00 C ATOM 748 C GLY A 78 4.006 4.645 9.726 1.00 1.00 C ATOM 749 O GLY A 78 2.814 4.613 10.028 1.00 1.00 O ATOM 0 H GLY A 78 6.372 4.942 11.396 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.467 6.259 11.080 1.00 1.00 H new ATOM 0 HA3 GLY A 78 4.920 6.574 9.417 1.00 1.00 H new ATOM 753 N MET A 79 4.622 3.721 9.003 1.00 1.00 N ATOM 754 CA MET A 79 3.903 2.564 8.498 1.00 1.00 C ATOM 755 C MET A 79 4.506 1.266 9.036 1.00 1.00 C ATOM 756 O MET A 79 5.712 1.034 8.981 1.00 1.00 O ATOM 757 CB MET A 79 3.957 2.557 6.968 1.00 1.00 C ATOM 758 CG MET A 79 2.746 1.830 6.380 1.00 1.00 C ATOM 759 SD MET A 79 2.529 2.292 4.670 1.00 1.00 S ATOM 760 CE MET A 79 3.068 0.789 3.872 1.00 1.00 C ATOM 0 H MET A 79 5.611 3.750 8.755 1.00 1.00 H new ATOM 0 HA MET A 79 2.868 2.628 8.834 1.00 1.00 H new ATOM 0 HB2 MET A 79 3.986 3.581 6.597 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.874 2.071 6.635 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.885 0.752 6.459 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.850 2.079 6.949 1.00 1.00 H new ATOM 0 HE1 MET A 79 2.996 0.905 2.791 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.102 0.582 4.147 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.435 -0.039 4.191 1.00 1.00 H new ATOM 770 N PRO A 80 3.627 0.412 9.566 1.00 1.00 N ATOM 771 CA PRO A 80 3.976 -0.873 10.131 1.00 1.00 C ATOM 772 C PRO A 80 4.764 -1.683 9.111 1.00 1.00 C ATOM 773 O PRO A 80 5.541 -1.096 8.359 1.00 1.00 O ATOM 774 CB PRO A 80 2.639 -1.541 10.444 1.00 1.00 C ATOM 775 CG PRO A 80 1.668 -0.451 10.557 1.00 1.00 C ATOM 776 CD PRO A 80 2.202 0.652 9.646 1.00 1.00 C ATOM 0 HA PRO A 80 4.599 -0.789 11.021 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.355 -2.238 9.655 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.695 -2.113 11.370 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.675 -0.774 10.245 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.582 -0.105 11.587 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.738 0.609 8.660 1.00 1.00 H new ATOM 0 HD3 PRO A 80 1.990 1.640 10.056 1.00 1.00 H new ATOM 784 N ALA A 81 4.556 -2.991 9.102 1.00 1.00 N ATOM 785 CA ALA A 81 5.259 -3.855 8.168 1.00 1.00 C ATOM 786 C ALA A 81 4.435 -5.122 7.932 1.00 1.00 C ATOM 787 O ALA A 81 3.588 -5.477 8.751 1.00 1.00 O ATOM 788 CB ALA A 81 6.657 -4.161 8.710 1.00 1.00 C ATOM 0 H ALA A 81 3.910 -3.474 9.727 1.00 1.00 H new ATOM 0 HA ALA A 81 5.383 -3.359 7.205 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.185 -4.809 8.010 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.212 -3.231 8.832 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.572 -4.662 9.674 1.00 1.00 H new ATOM 794 N PHE A 82 4.711 -5.768 6.809 1.00 1.00 N ATOM 795 CA PHE A 82 4.005 -6.988 6.455 1.00 1.00 C ATOM 796 C PHE A 82 4.949 -7.995 5.794 1.00 1.00 C ATOM 797 O PHE A 82 5.317 -7.834 4.631 1.00 1.00 O ATOM 798 CB PHE A 82 2.913 -6.599 5.457 1.00 1.00 C ATOM 799 CG PHE A 82 1.943 -5.536 5.978 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.205 -4.218 5.772 1.00 1.00 C ATOM 801 CD2 PHE A 82 0.820 -5.910 6.648 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.305 -3.231 6.255 1.00 1.00 C ATOM 803 CE2 PHE A 82 -0.079 -4.924 7.132 1.00 1.00 C ATOM 804 CZ PHE A 82 0.182 -3.605 6.925 1.00 1.00 C ATOM 0 H PHE A 82 5.414 -5.470 6.132 1.00 1.00 H new ATOM 0 HA PHE A 82 3.591 -7.452 7.350 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.383 -6.231 4.545 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.348 -7.491 5.187 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.098 -3.921 5.241 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.612 -6.957 6.812 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.512 -2.184 6.090 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.970 -5.221 7.665 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.502 -2.855 7.293 1.00 1.00 H new ATOM 814 N GLY A 83 5.312 -9.010 6.563 1.00 1.00 N ATOM 815 CA GLY A 83 6.205 -10.043 6.067 1.00 1.00 C ATOM 816 C GLY A 83 5.420 -11.274 5.611 1.00 1.00 C ATOM 817 O GLY A 83 4.196 -11.228 5.498 1.00 1.00 O ATOM 0 H GLY A 83 5.004 -9.139 7.527 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.792 -9.653 5.235 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.910 -10.326 6.849 1.00 1.00 H new ATOM 821 N GLU A 84 6.156 -12.347 5.361 1.00 1.00 N ATOM 822 CA GLU A 84 5.544 -13.589 4.920 1.00 1.00 C ATOM 823 C GLU A 84 4.906 -14.316 6.105 1.00 1.00 C ATOM 824 O GLU A 84 4.375 -15.415 5.951 1.00 1.00 O ATOM 825 CB GLU A 84 6.565 -14.483 4.214 1.00 1.00 C ATOM 826 CG GLU A 84 7.683 -14.901 5.171 1.00 1.00 C ATOM 827 CD GLU A 84 8.647 -15.878 4.495 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.547 -15.451 3.757 1.00 1.00 O ATOM 829 OE2 GLU A 84 8.436 -17.123 4.760 1.00 1.00 O ATOM 0 H GLU A 84 7.171 -12.382 5.456 1.00 1.00 H new ATOM 0 HA GLU A 84 4.761 -13.350 4.201 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.067 -15.370 3.821 1.00 1.00 H new ATOM 0 HB3 GLU A 84 6.990 -13.953 3.362 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.229 -14.019 5.505 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.252 -15.365 6.058 1.00 1.00 H new ATOM 837 N ALA A 85 4.978 -13.674 7.262 1.00 1.00 N ATOM 838 CA ALA A 85 4.414 -14.245 8.472 1.00 1.00 C ATOM 839 C ALA A 85 2.897 -14.361 8.317 1.00 1.00 C ATOM 840 O ALA A 85 2.305 -15.370 8.699 1.00 1.00 O ATOM 841 CB ALA A 85 4.814 -13.390 9.676 1.00 1.00 C ATOM 0 H ALA A 85 5.419 -12.763 7.386 1.00 1.00 H new ATOM 0 HA ALA A 85 4.806 -15.248 8.641 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.390 -13.819 10.584 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.901 -13.365 9.759 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.437 -12.376 9.544 1.00 1.00 H new ATOM 847 N MET A 86 2.310 -13.313 7.757 1.00 1.00 N ATOM 848 CA MET A 86 0.872 -13.285 7.547 1.00 1.00 C ATOM 849 C MET A 86 0.537 -13.250 6.055 1.00 1.00 C ATOM 850 O MET A 86 -0.224 -14.085 5.566 1.00 1.00 O ATOM 851 CB MET A 86 0.281 -12.051 8.232 1.00 1.00 C ATOM 852 CG MET A 86 -1.231 -12.199 8.419 1.00 1.00 C ATOM 853 SD MET A 86 -1.834 -10.942 9.533 1.00 1.00 S ATOM 854 CE MET A 86 -0.885 -11.339 10.992 1.00 1.00 C ATOM 0 H MET A 86 2.804 -12.478 7.442 1.00 1.00 H new ATOM 0 HA MET A 86 0.443 -14.191 7.975 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.758 -11.905 9.201 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.492 -11.163 7.636 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.735 -12.115 7.456 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.462 -13.188 8.814 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.474 -11.115 11.881 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.630 -12.399 10.983 1.00 1.00 H new ATOM 0 HE3 MET A 86 0.029 -10.746 11.004 1.00 1.00 H new ATOM 864 N ILE A 87 1.120 -12.277 5.372 1.00 1.00 N ATOM 865 CA ILE A 87 0.893 -12.123 3.945 1.00 1.00 C ATOM 866 C ILE A 87 2.207 -12.351 3.196 1.00 1.00 C ATOM 867 O ILE A 87 3.186 -11.626 3.358 1.00 1.00 O ATOM 868 CB ILE A 87 0.244 -10.770 3.648 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.992 -10.551 4.524 1.00 1.00 C ATOM 870 CG2 ILE A 87 -0.077 -10.630 2.159 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.967 -9.574 3.863 1.00 1.00 C ATOM 0 H ILE A 87 1.750 -11.586 5.780 1.00 1.00 H new ATOM 0 HA ILE A 87 0.188 -12.874 3.589 1.00 1.00 H new ATOM 0 HB ILE A 87 0.959 -9.986 3.898 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.490 -11.504 4.700 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.689 -10.165 5.497 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.538 -9.659 1.976 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.843 -10.711 1.579 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.765 -11.420 1.859 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.836 -9.436 4.506 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.473 -8.614 3.710 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.287 -9.974 2.901 1.00 1.00 H new ATOM 883 N PRO A 88 2.206 -13.392 2.359 1.00 1.00 N ATOM 884 CA PRO A 88 3.339 -13.789 1.550 1.00 1.00 C ATOM 885 C PRO A 88 3.507 -12.814 0.393 1.00 1.00 C ATOM 886 O PRO A 88 2.528 -12.259 -0.100 1.00 1.00 O ATOM 887 CB PRO A 88 2.986 -15.186 1.043 1.00 1.00 C ATOM 888 CG PRO A 88 1.504 -15.197 1.013 1.00 1.00 C ATOM 889 CD PRO A 88 1.073 -14.265 2.143 1.00 1.00 C ATOM 0 HA PRO A 88 4.278 -13.789 2.104 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.406 -15.369 0.054 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.377 -15.960 1.703 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.127 -14.850 0.051 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.115 -16.204 1.163 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.184 -13.697 1.869 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.828 -14.825 3.045 1.00 1.00 H new ATOM 897 N PRO A 89 4.753 -12.607 -0.038 1.00 1.00 N ATOM 898 CA PRO A 89 5.103 -11.717 -1.124 1.00 1.00 C ATOM 899 C PRO A 89 4.261 -12.049 -2.348 1.00 1.00 C ATOM 900 O PRO A 89 3.805 -11.128 -3.023 1.00 1.00 O ATOM 901 CB PRO A 89 6.583 -11.984 -1.388 1.00 1.00 C ATOM 902 CG PRO A 89 6.936 -13.280 -0.626 1.00 1.00 C ATOM 903 CD PRO A 89 5.927 -13.243 0.519 1.00 1.00 C ATOM 0 HA PRO A 89 4.922 -10.668 -0.888 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.773 -12.097 -2.455 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.195 -11.151 -1.042 1.00 1.00 H new ATOM 0 HG2 PRO A 89 6.818 -14.167 -1.248 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.965 -13.277 -0.266 1.00 1.00 H new ATOM 0 HD2 PRO A 89 5.700 -14.247 0.877 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.315 -12.681 1.369 1.00 1.00 H new ATOM 911 N ALA A 90 4.075 -13.335 -2.608 1.00 1.00 N ATOM 912 CA ALA A 90 3.289 -13.760 -3.754 1.00 1.00 C ATOM 913 C ALA A 90 1.847 -13.278 -3.584 1.00 1.00 C ATOM 914 O ALA A 90 1.130 -13.094 -4.567 1.00 1.00 O ATOM 915 CB ALA A 90 3.382 -15.280 -3.902 1.00 1.00 C ATOM 0 H ALA A 90 4.455 -14.096 -2.045 1.00 1.00 H new ATOM 0 HA ALA A 90 3.679 -13.319 -4.672 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.792 -15.599 -4.762 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.423 -15.568 -4.049 1.00 1.00 H new ATOM 0 HB3 ALA A 90 2.997 -15.758 -3.001 1.00 1.00 H new ATOM 921 N ASP A 91 1.464 -13.087 -2.330 1.00 1.00 N ATOM 922 CA ASP A 91 0.120 -12.630 -2.019 1.00 1.00 C ATOM 923 C ASP A 91 0.102 -11.101 -1.984 1.00 1.00 C ATOM 924 O ASP A 91 -0.965 -10.490 -1.944 1.00 1.00 O ATOM 925 CB ASP A 91 -0.332 -13.139 -0.649 1.00 1.00 C ATOM 926 CG ASP A 91 -0.721 -14.619 -0.605 1.00 1.00 C ATOM 927 OD1 ASP A 91 -1.602 -15.025 0.166 1.00 1.00 O ATOM 928 OD2 ASP A 91 -0.068 -15.378 -1.418 1.00 1.00 O ATOM 0 H ASP A 91 2.061 -13.240 -1.517 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.553 -13.014 -2.786 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.471 -12.968 0.068 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.185 -12.545 -0.320 1.00 1.00 H new ATOM 934 N ALA A 92 1.295 -10.526 -2.002 1.00 1.00 N ATOM 935 CA ALA A 92 1.429 -9.079 -1.973 1.00 1.00 C ATOM 936 C ALA A 92 1.311 -8.531 -3.397 1.00 1.00 C ATOM 937 O ALA A 92 0.845 -7.411 -3.598 1.00 1.00 O ATOM 938 CB ALA A 92 2.757 -8.703 -1.312 1.00 1.00 C ATOM 0 H ALA A 92 2.178 -11.036 -2.036 1.00 1.00 H new ATOM 0 HA ALA A 92 0.631 -8.631 -1.381 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.858 -7.618 -1.290 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.779 -9.090 -0.293 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.581 -9.133 -1.881 1.00 1.00 H new ATOM 944 N LEU A 93 1.742 -9.347 -4.348 1.00 1.00 N ATOM 945 CA LEU A 93 1.691 -8.958 -5.747 1.00 1.00 C ATOM 946 C LEU A 93 0.233 -8.744 -6.159 1.00 1.00 C ATOM 947 O LEU A 93 -0.043 -8.075 -7.153 1.00 1.00 O ATOM 948 CB LEU A 93 2.431 -9.978 -6.614 1.00 1.00 C ATOM 949 CG LEU A 93 3.942 -10.079 -6.390 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.531 -11.269 -7.149 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.638 -8.766 -6.753 1.00 1.00 C ATOM 0 H LEU A 93 2.128 -10.276 -4.177 1.00 1.00 H new ATOM 0 HA LEU A 93 2.208 -8.011 -5.898 1.00 1.00 H new ATOM 0 HB2 LEU A 93 1.992 -10.960 -6.440 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.255 -9.731 -7.661 1.00 1.00 H new ATOM 0 HG LEU A 93 4.119 -10.255 -5.329 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.606 -11.317 -6.972 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.064 -12.190 -6.800 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.344 -11.149 -8.216 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.710 -8.864 -6.585 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.455 -8.535 -7.802 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.245 -7.962 -6.131 1.00 1.00 H new ATOM 963 N LYS A 94 -0.662 -9.325 -5.373 1.00 1.00 N ATOM 964 CA LYS A 94 -2.085 -9.206 -5.644 1.00 1.00 C ATOM 965 C LYS A 94 -2.617 -7.926 -4.998 1.00 1.00 C ATOM 966 O LYS A 94 -3.628 -7.379 -5.436 1.00 1.00 O ATOM 967 CB LYS A 94 -2.822 -10.472 -5.201 1.00 1.00 C ATOM 968 CG LYS A 94 -3.344 -10.329 -3.770 1.00 1.00 C ATOM 969 CD LYS A 94 -3.304 -11.671 -3.036 1.00 1.00 C ATOM 970 CE LYS A 94 -4.708 -12.266 -2.905 1.00 1.00 C ATOM 971 NZ LYS A 94 -4.632 -13.719 -2.635 1.00 1.00 N ATOM 0 H LYS A 94 -0.429 -9.879 -4.549 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.264 -9.120 -6.716 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.654 -10.669 -5.878 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.151 -11.329 -5.263 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.742 -9.597 -3.231 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.366 -9.950 -3.788 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -2.660 -12.365 -3.575 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -2.869 -11.535 -2.046 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -5.247 -11.768 -2.099 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.271 -12.089 -3.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -5.593 -14.107 -2.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -4.137 -14.192 -3.418 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -4.113 -13.881 -1.748 1.00 1.00 H new ATOM 984 N ILE A 95 -1.913 -7.485 -3.965 1.00 1.00 N ATOM 985 CA ILE A 95 -2.303 -6.280 -3.254 1.00 1.00 C ATOM 986 C ILE A 95 -1.988 -5.058 -4.119 1.00 1.00 C ATOM 987 O ILE A 95 -2.800 -4.140 -4.223 1.00 1.00 O ATOM 988 CB ILE A 95 -1.649 -6.239 -1.871 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.862 -7.557 -1.124 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.145 -5.036 -1.066 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.292 -7.659 -0.589 1.00 1.00 C ATOM 0 H ILE A 95 -1.075 -7.941 -3.604 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.378 -6.275 -3.074 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.574 -6.116 -2.005 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.659 -8.394 -1.792 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.155 -7.629 -0.298 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.665 -5.030 -0.087 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.898 -4.116 -1.597 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.226 -5.103 -0.940 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.417 -8.605 -0.062 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.484 -6.834 0.097 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.996 -7.611 -1.420 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.806 -5.086 -4.719 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.374 -3.992 -5.572 1.00 1.00 C ATOM 1005 C GLY A 96 -1.414 -3.697 -6.654 1.00 1.00 C ATOM 1006 O GLY A 96 -1.521 -2.566 -7.126 1.00 1.00 O ATOM 0 H GLY A 96 -0.135 -5.849 -4.631 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.208 -3.099 -4.969 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.579 -4.244 -6.037 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.156 -4.734 -7.016 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.184 -4.600 -8.034 1.00 1.00 C ATOM 1012 C GLU A 97 -4.330 -3.726 -7.519 1.00 1.00 C ATOM 1013 O GLU A 97 -4.750 -2.760 -8.154 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.698 -5.971 -8.478 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.545 -6.965 -8.633 1.00 1.00 C ATOM 1016 CD GLU A 97 -2.990 -8.203 -9.413 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.303 -9.239 -8.806 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.005 -8.064 -10.695 1.00 1.00 O ATOM 0 H GLU A 97 -2.065 -5.671 -6.622 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.744 -4.114 -8.905 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.413 -6.349 -7.748 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.230 -5.875 -9.425 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.713 -6.485 -9.149 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.181 -7.262 -7.649 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.831 -4.091 -6.338 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.921 -3.366 -5.714 1.00 1.00 C ATOM 1028 C TYR A 98 -5.630 -1.873 -5.742 1.00 1.00 C ATOM 1029 O TYR A 98 -6.574 -1.084 -5.747 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.101 -3.856 -4.280 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.308 -3.269 -3.590 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -8.595 -3.658 -3.979 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -7.140 -2.335 -2.560 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -9.715 -3.114 -3.339 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -8.260 -1.791 -1.920 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.547 -2.180 -2.309 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.638 -1.650 -1.685 1.00 1.00 O ATOM 0 H TYR A 98 -4.493 -4.888 -5.799 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.845 -3.546 -6.264 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.187 -4.943 -4.284 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.208 -3.609 -3.705 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -8.724 -4.378 -4.773 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -6.147 -2.035 -2.260 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -10.708 -3.414 -3.639 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -8.131 -1.071 -1.126 1.00 1.00 H new ATOM 0 HH TYR A 98 -10.346 -1.020 -0.994 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.354 -1.517 -5.759 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.968 -0.116 -5.786 1.00 1.00 C ATOM 1049 C VAL A 99 -3.650 0.293 -7.226 1.00 1.00 C ATOM 1050 O VAL A 99 -2.773 1.123 -7.459 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.801 0.123 -4.825 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.257 1.546 -4.968 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.214 -0.163 -3.380 1.00 1.00 C ATOM 0 H VAL A 99 -3.574 -2.174 -5.755 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.789 0.514 -5.443 1.00 1.00 H new ATOM 0 HB VAL A 99 -2.002 -0.570 -5.089 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.429 1.690 -4.274 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.907 1.701 -5.989 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -3.047 2.262 -4.743 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.367 0.014 -2.718 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -4.037 0.494 -3.100 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.532 -1.202 -3.291 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.382 -0.307 -8.153 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.189 -0.015 -9.563 1.00 1.00 C ATOM 1065 C VAL A 100 -5.531 -0.126 -10.290 1.00 1.00 C ATOM 1066 O VAL A 100 -5.569 -0.292 -11.509 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.115 -0.936 -10.146 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.002 -0.755 -11.661 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.766 -0.705 -9.464 1.00 1.00 C ATOM 0 H VAL A 100 -5.110 -0.994 -7.955 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.830 1.005 -9.696 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.415 -1.966 -9.953 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.232 -1.421 -12.051 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -3.958 -0.993 -12.128 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.736 0.278 -11.885 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.020 -1.372 -9.897 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.456 0.330 -9.611 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.858 -0.908 -8.397 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.599 -0.031 -9.512 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.939 -0.118 -10.067 1.00 1.00 C ATOM 1081 C ALA A 101 -8.765 1.075 -9.584 1.00 1.00 C ATOM 1082 O ALA A 101 -9.987 0.984 -9.470 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.567 -1.458 -9.677 1.00 1.00 C ATOM 0 H ALA A 101 -6.564 0.105 -8.502 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.907 -0.077 -11.156 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.572 -1.524 -10.093 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.958 -2.273 -10.069 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.618 -1.533 -8.591 1.00 1.00 H new ATOM 1089 N SER A 102 -8.066 2.168 -9.314 1.00 1.00 N ATOM 1090 CA SER A 102 -8.720 3.378 -8.846 1.00 1.00 C ATOM 1091 C SER A 102 -7.785 4.577 -9.017 1.00 1.00 C ATOM 1092 O SER A 102 -8.213 5.645 -9.455 1.00 1.00 O ATOM 1093 CB SER A 102 -9.147 3.243 -7.383 1.00 1.00 C ATOM 1094 OG SER A 102 -8.206 2.493 -6.619 1.00 1.00 O ATOM 0 H SER A 102 -7.053 2.241 -9.410 1.00 1.00 H new ATOM 0 HA SER A 102 -9.617 3.536 -9.445 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.261 4.235 -6.946 1.00 1.00 H new ATOM 0 HB3 SER A 102 -10.122 2.759 -7.333 1.00 1.00 H new ATOM 0 HG SER A 102 -7.413 3.042 -6.447 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.527 4.361 -8.664 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.528 5.411 -8.773 1.00 1.00 C ATOM 1102 C PHE A 103 -4.128 4.820 -8.951 1.00 1.00 C ATOM 1103 O PHE A 103 -3.290 4.844 -8.052 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.570 6.207 -7.467 1.00 1.00 C ATOM 1105 CG PHE A 103 -6.057 5.399 -6.262 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.554 4.157 -6.028 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.992 5.923 -5.425 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -6.005 3.408 -4.910 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.444 5.173 -4.307 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.940 3.931 -4.073 1.00 1.00 C ATOM 0 H PHE A 103 -6.176 3.474 -8.302 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.741 6.038 -9.639 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.572 6.591 -7.255 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.222 7.070 -7.600 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.812 3.741 -6.693 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.391 6.909 -5.611 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.605 2.422 -4.724 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -8.187 5.588 -3.643 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.283 3.361 -3.222 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.891 4.281 -10.149 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.638 3.668 -10.535 1.00 1.00 C ATOM 1122 C PRO A 104 -1.509 4.678 -10.385 1.00 1.00 C ATOM 1123 O PRO A 104 -1.710 5.872 -10.592 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.829 3.274 -11.998 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.342 3.145 -12.167 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.853 4.235 -11.229 1.00 1.00 C ATOM 0 HA PRO A 104 -2.379 2.807 -9.919 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.418 4.028 -12.669 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.323 2.336 -12.225 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.654 3.313 -13.198 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.703 2.157 -11.881 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -4.919 5.196 -11.740 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.851 4.001 -10.859 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.391 2.807 4.282 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.735 5.637 2.888 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.237 1.393 1.026 1.00 1.00 C HETATM 1138 CHC HEC A 201 -1.004 -0.134 5.482 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.174 4.285 7.299 1.00 1.00 C HETATM 1140 NA HEC A 201 0.921 3.370 2.352 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.391 4.624 1.999 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.477 4.740 0.562 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.062 3.566 0.043 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.715 2.710 1.153 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.964 3.178 -1.404 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.946 5.961 -0.174 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.463 6.128 -0.196 1.00 1.00 C HETATM 1148 CGA HEC A 201 4.163 4.794 0.018 1.00 1.00 C HETATM 1149 O1A HEC A 201 5.237 4.813 0.657 1.00 1.00 O HETATM 1150 O2A HEC A 201 3.612 3.780 -0.462 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.265 1.007 3.410 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.215 0.612 2.085 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.702 -0.740 1.946 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.047 -1.166 3.180 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.777 -0.082 4.094 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.790 -1.493 0.650 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.607 -2.502 3.573 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.808 -3.690 3.044 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.217 2.173 6.065 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.821 0.977 6.414 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.297 1.034 7.776 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.984 2.257 8.254 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.312 2.969 7.193 1.00 1.00 C HETATM 1164 CMC HEC A 201 -2.003 -0.084 8.486 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.263 2.814 9.620 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.810 1.910 10.763 1.00 1.00 C HETATM 1167 ND HEC A 201 0.776 4.611 4.929 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.771 4.991 6.260 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.480 6.238 6.428 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.914 6.615 5.207 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.478 5.606 4.271 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.673 6.947 7.737 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.701 7.841 4.844 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.180 7.573 4.580 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.615 8.163 3.246 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.784 8.600 3.173 1.00 1.00 O HETATM 1177 O2D HEC A 201 3.770 8.166 2.325 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.701 7.196 8.163 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.216 6.299 8.425 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.243 7.862 7.575 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.919 -0.334 7.950 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.354 -0.959 8.523 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.250 0.228 9.501 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.446 -0.959 -0.037 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.204 -1.578 0.211 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.192 -2.489 0.835 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.280 3.854 -1.916 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.950 3.241 -1.865 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.592 2.157 -1.482 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.779 8.002 5.383 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.364 6.499 4.583 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.325 0.952 10.695 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.266 1.749 10.695 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -1.047 2.383 11.716 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.787 -3.658 1.955 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.211 -3.643 3.428 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.277 -4.618 3.371 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.771 6.555 -1.150 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.766 6.830 0.581 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.260 8.294 3.956 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.612 8.569 5.650 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.581 5.917 -1.200 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.500 6.843 0.285 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.076 4.786 8.262 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.345 -1.083 5.897 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.220 0.954 0.029 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.239 6.516 2.485 1.00 1.00 H new HETATM 0 H2D HEC A 201 4.146 8.612 1.538 1.00 1.00 H new HETATM 0 H2A HEC A 201 4.154 2.988 -0.263 1.00 1.00 H new