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 28:sc= 0.946 USER MOD Single : A 34 HIS : no HD1:sc= -0.252 X(o=-0.25,f=0.029) USER MOD Single : A 41 GLN : amide:sc= -1.4 K(o=-1.4,f=-4.2!) USER MOD Single : A 44 ASN : amide:sc= -6.25! C(o=-6.2!,f=-12!) USER MOD Single : A 45 THR OG1 : rot 128:sc= -1.38 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -3.43! C(o=-4.9!,f=-3.4!) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0.972 (180deg=0.941) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.037 F(o=-1.9!,f=-0.037) USER MOD Single : A 64 THR OG1 : rot 158:sc= -2.34! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -140:sc= -0.0582 (180deg=-0.522) 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 96:sc= -0.424! USER MOD Single : A 201 HEC O2A : rot -120:sc= -1.18 USER MOD Single : A 201 HEC O2D : rot 137:sc= 0.721 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -12.998 -7.808 -3.445 1.00 1.00 N ATOM 2 CA ALA A 25 -12.283 -8.023 -4.691 1.00 1.00 C ATOM 3 C ALA A 25 -10.925 -8.660 -4.391 1.00 1.00 C ATOM 4 O ALA A 25 -9.885 -8.124 -4.772 1.00 1.00 O ATOM 5 CB ALA A 25 -12.151 -6.695 -5.439 1.00 1.00 C ATOM 0 HA ALA A 25 -12.833 -8.708 -5.336 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -11.614 -6.856 -6.374 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.143 -6.298 -5.654 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.601 -5.984 -4.823 1.00 1.00 H new ATOM 11 N GLY A 26 -10.977 -9.796 -3.710 1.00 1.00 N ATOM 12 CA GLY A 26 -9.764 -10.512 -3.355 1.00 1.00 C ATOM 13 C GLY A 26 -8.770 -9.589 -2.646 1.00 1.00 C ATOM 14 O GLY A 26 -8.806 -9.455 -1.424 1.00 1.00 O ATOM 0 H GLY A 26 -11.841 -10.238 -3.395 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.010 -11.353 -2.707 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.305 -10.925 -4.253 1.00 1.00 H new ATOM 18 N GLY A 27 -7.907 -8.977 -3.444 1.00 1.00 N ATOM 19 CA GLY A 27 -6.906 -8.071 -2.908 1.00 1.00 C ATOM 20 C GLY A 27 -7.537 -7.061 -1.948 1.00 1.00 C ATOM 21 O GLY A 27 -6.885 -6.593 -1.016 1.00 1.00 O ATOM 0 H GLY A 27 -7.881 -9.091 -4.457 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.136 -8.641 -2.387 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.414 -7.543 -3.725 1.00 1.00 H new ATOM 25 N GLY A 28 -8.800 -6.755 -2.208 1.00 1.00 N ATOM 26 CA GLY A 28 -9.527 -5.810 -1.379 1.00 1.00 C ATOM 27 C GLY A 28 -9.785 -6.388 0.014 1.00 1.00 C ATOM 28 O GLY A 28 -9.634 -5.691 1.017 1.00 1.00 O ATOM 0 H GLY A 28 -9.338 -7.145 -2.982 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.959 -4.884 -1.293 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.475 -5.559 -1.854 1.00 1.00 H new ATOM 32 N GLU A 29 -10.171 -7.655 0.032 1.00 1.00 N ATOM 33 CA GLU A 29 -10.451 -8.335 1.285 1.00 1.00 C ATOM 34 C GLU A 29 -9.227 -8.287 2.201 1.00 1.00 C ATOM 35 O GLU A 29 -9.356 -8.369 3.421 1.00 1.00 O ATOM 36 CB GLU A 29 -10.896 -9.778 1.039 1.00 1.00 C ATOM 37 CG GLU A 29 -11.394 -10.426 2.332 1.00 1.00 C ATOM 38 CD GLU A 29 -12.848 -10.042 2.614 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.347 -9.052 2.057 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.465 -10.812 3.444 1.00 1.00 O ATOM 0 H GLU A 29 -10.297 -8.229 -0.802 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.272 -7.816 1.781 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.688 -9.795 0.291 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.064 -10.355 0.636 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.309 -11.510 2.256 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.764 -10.115 3.165 1.00 1.00 H new ATOM 48 N LEU A 30 -8.066 -8.153 1.577 1.00 1.00 N ATOM 49 CA LEU A 30 -6.819 -8.094 2.320 1.00 1.00 C ATOM 50 C LEU A 30 -6.530 -6.642 2.707 1.00 1.00 C ATOM 51 O LEU A 30 -6.177 -6.359 3.851 1.00 1.00 O ATOM 52 CB LEU A 30 -5.690 -8.755 1.527 1.00 1.00 C ATOM 53 CG LEU A 30 -6.008 -10.123 0.921 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.800 -10.683 0.168 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.517 -11.091 1.990 1.00 1.00 C ATOM 0 H LEU A 30 -7.963 -8.084 0.565 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.901 -8.662 3.247 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.396 -8.082 0.721 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.826 -8.862 2.183 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.810 -9.997 0.194 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.053 -11.656 -0.253 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.524 -10.001 -0.636 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.961 -10.792 0.856 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.736 -12.056 1.533 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.755 -11.218 2.758 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.424 -10.690 2.442 1.00 1.00 H new ATOM 67 N PHE A 31 -6.691 -5.759 1.732 1.00 1.00 N ATOM 68 CA PHE A 31 -6.452 -4.344 1.956 1.00 1.00 C ATOM 69 C PHE A 31 -7.528 -3.743 2.865 1.00 1.00 C ATOM 70 O PHE A 31 -7.337 -2.668 3.431 1.00 1.00 O ATOM 71 CB PHE A 31 -6.514 -3.658 0.590 1.00 1.00 C ATOM 72 CG PHE A 31 -6.459 -2.130 0.658 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.357 -1.469 0.212 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.512 -1.433 1.164 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.306 -0.052 0.275 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.460 -0.016 1.227 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.358 0.645 0.781 1.00 1.00 C ATOM 0 H PHE A 31 -6.984 -5.997 0.784 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.485 -4.202 2.439 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.685 -4.014 -0.022 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.434 -3.956 0.086 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.521 -2.022 -0.190 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.387 -1.958 1.518 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.431 0.473 -0.079 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.296 0.538 1.629 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.319 1.723 0.829 1.00 1.00 H new ATOM 87 N ALA A 32 -8.634 -4.465 2.975 1.00 1.00 N ATOM 88 CA ALA A 32 -9.739 -4.017 3.805 1.00 1.00 C ATOM 89 C ALA A 32 -9.641 -4.681 5.180 1.00 1.00 C ATOM 90 O ALA A 32 -10.645 -5.135 5.727 1.00 1.00 O ATOM 91 CB ALA A 32 -11.063 -4.325 3.102 1.00 1.00 C ATOM 0 H ALA A 32 -8.788 -5.356 2.503 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.693 -2.938 3.956 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.892 -3.989 3.725 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -11.095 -3.807 2.144 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.146 -5.399 2.936 1.00 1.00 H new ATOM 97 N THR A 33 -8.422 -4.717 5.699 1.00 1.00 N ATOM 98 CA THR A 33 -8.180 -5.318 6.999 1.00 1.00 C ATOM 99 C THR A 33 -6.729 -5.092 7.429 1.00 1.00 C ATOM 100 O THR A 33 -6.456 -4.857 8.605 1.00 1.00 O ATOM 101 CB THR A 33 -8.566 -6.796 6.916 1.00 1.00 C ATOM 102 OG1 THR A 33 -9.947 -6.815 7.266 1.00 1.00 O ATOM 103 CG2 THR A 33 -7.895 -7.639 8.003 1.00 1.00 C ATOM 0 H THR A 33 -7.592 -4.340 5.242 1.00 1.00 H new ATOM 0 HA THR A 33 -8.791 -4.851 7.771 1.00 1.00 H new ATOM 0 HB THR A 33 -8.295 -7.186 5.935 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.359 -5.960 7.020 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.203 -8.679 7.899 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.812 -7.569 7.901 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.192 -7.270 8.985 1.00 1.00 H new ATOM 111 N HIS A 34 -5.837 -5.171 6.453 1.00 1.00 N ATOM 112 CA HIS A 34 -4.421 -4.978 6.716 1.00 1.00 C ATOM 113 C HIS A 34 -3.997 -3.585 6.247 1.00 1.00 C ATOM 114 O HIS A 34 -2.819 -3.239 6.305 1.00 1.00 O ATOM 115 CB HIS A 34 -3.593 -6.096 6.079 1.00 1.00 C ATOM 116 CG HIS A 34 -4.052 -7.487 6.448 1.00 1.00 C ATOM 117 ND1 HIS A 34 -3.700 -8.101 7.637 1.00 1.00 N ATOM 118 CD2 HIS A 34 -4.838 -8.374 5.773 1.00 1.00 C ATOM 119 CE1 HIS A 34 -4.254 -9.305 7.665 1.00 1.00 C ATOM 120 NE2 HIS A 34 -4.958 -9.472 6.509 1.00 1.00 N ATOM 0 H HIS A 34 -6.067 -5.366 5.479 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.236 -5.034 7.789 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.629 -5.988 4.995 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.551 -5.977 6.377 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.287 -8.211 4.804 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -4.164 -10.027 8.463 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.489 -10.304 6.252 1.00 1.00 H new ATOM 128 N CYS A 35 -4.982 -2.824 5.791 1.00 1.00 N ATOM 129 CA CYS A 35 -4.726 -1.477 5.312 1.00 1.00 C ATOM 130 C CYS A 35 -5.915 -0.595 5.699 1.00 1.00 C ATOM 131 O CYS A 35 -5.733 0.500 6.229 1.00 1.00 O ATOM 132 CB CYS A 35 -4.464 -1.452 3.805 1.00 1.00 C ATOM 133 SG CYS A 35 -3.476 -2.858 3.175 1.00 1.00 S ATOM 0 H CYS A 35 -5.958 -3.115 5.743 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.820 -1.089 5.778 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.421 -1.436 3.284 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.950 -0.524 3.555 1.00 1.00 H new ATOM 138 N ALA A 36 -7.105 -1.105 5.419 1.00 1.00 N ATOM 139 CA ALA A 36 -8.323 -0.378 5.731 1.00 1.00 C ATOM 140 C ALA A 36 -8.163 0.321 7.082 1.00 1.00 C ATOM 141 O ALA A 36 -8.675 1.422 7.281 1.00 1.00 O ATOM 142 CB ALA A 36 -9.512 -1.341 5.711 1.00 1.00 C ATOM 0 H ALA A 36 -7.252 -2.014 4.979 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.513 0.391 4.982 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.426 -0.795 5.945 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.600 -1.789 4.721 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.358 -2.125 6.452 1.00 1.00 H new ATOM 148 N GLY A 37 -7.449 -0.346 7.977 1.00 1.00 N ATOM 149 CA GLY A 37 -7.214 0.198 9.304 1.00 1.00 C ATOM 150 C GLY A 37 -6.062 1.204 9.288 1.00 1.00 C ATOM 151 O GLY A 37 -5.174 1.150 10.138 1.00 1.00 O ATOM 0 H GLY A 37 -7.025 -1.259 7.809 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.120 0.683 9.668 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.985 -0.611 9.997 1.00 1.00 H new ATOM 155 N CYS A 38 -6.113 2.099 8.312 1.00 1.00 N ATOM 156 CA CYS A 38 -5.084 3.116 8.175 1.00 1.00 C ATOM 157 C CYS A 38 -5.275 3.813 6.826 1.00 1.00 C ATOM 158 O CYS A 38 -4.985 5.001 6.691 1.00 1.00 O ATOM 159 CB CYS A 38 -3.681 2.524 8.317 1.00 1.00 C ATOM 160 SG CYS A 38 -2.949 3.025 9.918 1.00 1.00 S ATOM 0 H CYS A 38 -6.851 2.141 7.609 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.182 3.846 8.978 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.728 1.437 8.254 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.049 2.864 7.497 1.00 1.00 H new ATOM 165 N HIS A 39 -5.763 3.045 5.863 1.00 1.00 N ATOM 166 CA HIS A 39 -5.996 3.574 4.530 1.00 1.00 C ATOM 167 C HIS A 39 -7.490 3.511 4.207 1.00 1.00 C ATOM 168 O HIS A 39 -7.928 2.848 3.269 1.00 1.00 O ATOM 169 CB HIS A 39 -5.135 2.845 3.497 1.00 1.00 C ATOM 170 CG HIS A 39 -3.672 3.218 3.543 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.214 4.490 3.245 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.572 2.476 3.856 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.895 4.500 3.375 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.500 3.251 3.753 1.00 1.00 N ATOM 0 H HIS A 39 -6.003 2.061 5.979 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.695 4.621 4.493 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.230 1.770 3.653 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.523 3.058 2.501 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.793 5.284 2.972 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.573 1.434 4.140 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.247 5.348 3.210 1.00 1.00 H new ATOM 182 N PRO A 40 -8.274 4.226 5.017 1.00 1.00 N ATOM 183 CA PRO A 40 -9.713 4.311 4.895 1.00 1.00 C ATOM 184 C PRO A 40 -10.073 5.175 3.694 1.00 1.00 C ATOM 185 O PRO A 40 -9.787 6.371 3.716 1.00 1.00 O ATOM 186 CB PRO A 40 -10.179 4.961 6.196 1.00 1.00 C ATOM 187 CG PRO A 40 -8.954 5.942 6.487 1.00 1.00 C ATOM 188 CD PRO A 40 -7.793 5.017 6.130 1.00 1.00 C ATOM 0 HA PRO A 40 -10.184 3.340 4.742 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.120 5.497 6.077 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.325 4.233 6.994 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.980 6.838 5.867 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.921 6.273 7.525 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.905 5.586 5.855 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.518 4.385 6.974 1.00 1.00 H new ATOM 196 N GLN A 41 -10.681 4.567 2.687 1.00 1.00 N ATOM 197 CA GLN A 41 -11.066 5.300 1.493 1.00 1.00 C ATOM 198 C GLN A 41 -9.848 5.995 0.880 1.00 1.00 C ATOM 199 O GLN A 41 -9.831 7.217 0.740 1.00 1.00 O ATOM 200 CB GLN A 41 -12.174 6.309 1.802 1.00 1.00 C ATOM 201 CG GLN A 41 -13.100 6.492 0.598 1.00 1.00 C ATOM 202 CD GLN A 41 -12.625 7.647 -0.287 1.00 1.00 C ATOM 203 OE1 GLN A 41 -11.846 8.494 0.117 1.00 1.00 O ATOM 204 NE2 GLN A 41 -13.137 7.632 -1.515 1.00 1.00 N ATOM 0 H GLN A 41 -10.917 3.575 2.673 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.459 4.589 0.766 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.752 5.968 2.661 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.732 7.267 2.075 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.131 5.571 0.015 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -14.116 6.686 0.942 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -13.785 6.893 -1.789 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -12.882 8.360 -2.183 1.00 1.00 H new ATOM 213 N GLY A 42 -8.858 5.186 0.533 1.00 1.00 N ATOM 214 CA GLY A 42 -7.639 5.707 -0.061 1.00 1.00 C ATOM 215 C GLY A 42 -7.167 6.965 0.671 1.00 1.00 C ATOM 216 O GLY A 42 -6.539 7.837 0.072 1.00 1.00 O ATOM 0 H GLY A 42 -8.875 4.173 0.652 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.859 4.947 -0.025 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.812 5.937 -1.112 1.00 1.00 H new ATOM 220 N GLY A 43 -7.487 7.019 1.955 1.00 1.00 N ATOM 221 CA GLY A 43 -7.104 8.156 2.775 1.00 1.00 C ATOM 222 C GLY A 43 -5.936 7.798 3.697 1.00 1.00 C ATOM 223 O GLY A 43 -5.122 6.937 3.368 1.00 1.00 O ATOM 0 H GLY A 43 -8.007 6.294 2.448 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.824 8.993 2.135 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.956 8.482 3.371 1.00 1.00 H new ATOM 227 N ASN A 44 -5.892 8.476 4.834 1.00 1.00 N ATOM 228 CA ASN A 44 -4.839 8.241 5.806 1.00 1.00 C ATOM 229 C ASN A 44 -5.326 8.665 7.193 1.00 1.00 C ATOM 230 O ASN A 44 -6.055 9.647 7.325 1.00 1.00 O ATOM 231 CB ASN A 44 -3.589 9.059 5.473 1.00 1.00 C ATOM 232 CG ASN A 44 -2.998 8.635 4.127 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.606 8.780 3.079 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.783 8.103 4.214 1.00 1.00 N ATOM 0 H ASN A 44 -6.570 9.189 5.104 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.592 7.180 5.785 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.841 10.119 5.446 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.845 8.928 6.258 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.303 7.787 3.371 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.331 8.011 5.124 1.00 1.00 H new ATOM 241 N THR A 45 -4.902 7.905 8.192 1.00 1.00 N ATOM 242 CA THR A 45 -5.286 8.189 9.564 1.00 1.00 C ATOM 243 C THR A 45 -4.081 8.693 10.362 1.00 1.00 C ATOM 244 O THR A 45 -4.225 9.120 11.506 1.00 1.00 O ATOM 245 CB THR A 45 -5.918 6.926 10.150 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.055 5.875 9.723 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.263 6.589 9.503 1.00 1.00 C ATOM 0 H THR A 45 -4.296 7.092 8.078 1.00 1.00 H new ATOM 0 HA THR A 45 -6.024 8.990 9.610 1.00 1.00 H new ATOM 0 HB THR A 45 -6.054 7.054 11.224 1.00 1.00 H new ATOM 0 HG1 THR A 45 -4.785 5.339 10.497 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.668 5.684 9.956 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.958 7.414 9.658 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.122 6.428 8.434 1.00 1.00 H new ATOM 255 N VAL A 46 -2.921 8.625 9.726 1.00 1.00 N ATOM 256 CA VAL A 46 -1.692 9.068 10.361 1.00 1.00 C ATOM 257 C VAL A 46 -1.194 10.339 9.670 1.00 1.00 C ATOM 258 O VAL A 46 -1.007 11.368 10.316 1.00 1.00 O ATOM 259 CB VAL A 46 -0.660 7.938 10.350 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.668 8.402 10.952 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.191 6.703 11.080 1.00 1.00 C ATOM 0 H VAL A 46 -2.806 8.270 8.777 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.871 9.316 11.407 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.478 7.661 9.312 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.384 7.580 10.932 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.059 9.237 10.371 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.509 8.720 11.983 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.438 5.915 11.057 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.416 6.961 12.115 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.098 6.352 10.588 1.00 1.00 H new ATOM 271 N HIS A 47 -0.995 10.225 8.365 1.00 1.00 N ATOM 272 CA HIS A 47 -0.523 11.352 7.579 1.00 1.00 C ATOM 273 C HIS A 47 -1.591 11.749 6.558 1.00 1.00 C ATOM 274 O HIS A 47 -1.871 11.037 5.596 1.00 1.00 O ATOM 275 CB HIS A 47 0.827 11.036 6.932 1.00 1.00 C ATOM 276 CG HIS A 47 1.968 10.928 7.915 1.00 1.00 C ATOM 277 ND1 HIS A 47 1.991 11.058 9.273 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.269 10.656 7.527 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.237 10.875 9.691 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 4.031 10.626 8.610 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.152 9.369 7.832 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.356 12.210 8.231 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.744 10.098 6.382 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.060 11.813 6.204 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.605 10.496 6.513 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.568 10.916 10.718 1.00 1.00 H new ATOM 0 HE2 HIS A 47 5.035 10.448 8.632 1.00 1.00 H new ATOM 288 N PRO A 48 -2.190 12.918 6.794 1.00 1.00 N ATOM 289 CA PRO A 48 -3.226 13.488 5.958 1.00 1.00 C ATOM 290 C PRO A 48 -2.589 14.261 4.812 1.00 1.00 C ATOM 291 O PRO A 48 -3.275 15.069 4.188 1.00 1.00 O ATOM 292 CB PRO A 48 -4.005 14.421 6.882 1.00 1.00 C ATOM 293 CG PRO A 48 -2.885 14.931 7.810 1.00 1.00 C ATOM 294 CD PRO A 48 -1.887 13.780 7.916 1.00 1.00 C ATOM 0 HA PRO A 48 -3.874 12.734 5.512 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.487 15.232 6.336 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.787 13.897 7.431 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.412 15.824 7.401 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -3.279 15.200 8.790 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.860 14.142 7.869 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.995 13.249 8.862 1.00 1.00 H new ATOM 302 N GLU A 49 -1.314 14.006 4.560 1.00 1.00 N ATOM 303 CA GLU A 49 -0.612 14.691 3.488 1.00 1.00 C ATOM 304 C GLU A 49 0.043 13.676 2.548 1.00 1.00 C ATOM 305 O GLU A 49 0.738 14.054 1.607 1.00 1.00 O ATOM 306 CB GLU A 49 0.424 15.667 4.047 1.00 1.00 C ATOM 307 CG GLU A 49 -0.158 16.480 5.206 1.00 1.00 C ATOM 308 CD GLU A 49 -0.443 17.921 4.775 1.00 1.00 C ATOM 309 OE1 GLU A 49 -1.392 18.164 4.015 1.00 1.00 O ATOM 310 OE2 GLU A 49 0.361 18.804 5.261 1.00 1.00 O ATOM 0 H GLU A 49 -0.749 13.335 5.080 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.338 15.270 2.917 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.301 15.116 4.388 1.00 1.00 H new ATOM 0 HB3 GLU A 49 0.758 16.340 3.257 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -1.078 16.013 5.557 1.00 1.00 H new ATOM 0 HG3 GLU A 49 0.540 16.478 6.043 1.00 1.00 H new ATOM 318 N LYS A 50 -0.203 12.406 2.837 1.00 1.00 N ATOM 319 CA LYS A 50 0.354 11.334 2.029 1.00 1.00 C ATOM 320 C LYS A 50 -0.759 10.352 1.656 1.00 1.00 C ATOM 321 O LYS A 50 -0.876 9.285 2.256 1.00 1.00 O ATOM 322 CB LYS A 50 1.535 10.680 2.748 1.00 1.00 C ATOM 323 CG LYS A 50 2.481 11.738 3.322 1.00 1.00 C ATOM 324 CD LYS A 50 3.492 12.198 2.269 1.00 1.00 C ATOM 325 CE LYS A 50 3.736 13.705 2.366 1.00 1.00 C ATOM 326 NZ LYS A 50 3.177 14.398 1.184 1.00 1.00 N ATOM 0 H LYS A 50 -0.780 12.096 3.619 1.00 1.00 H new ATOM 0 HA LYS A 50 0.757 11.729 1.097 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.168 10.041 3.551 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.079 10.039 2.054 1.00 1.00 H new ATOM 0 HG2 LYS A 50 1.905 12.593 3.676 1.00 1.00 H new ATOM 0 HG3 LYS A 50 3.009 11.330 4.184 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.433 11.664 2.405 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.125 11.949 1.273 1.00 1.00 H new ATOM 0 HE2 LYS A 50 3.278 14.096 3.274 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.806 13.902 2.438 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 3.453 15.400 1.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 3.544 13.957 0.317 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 2.140 14.325 1.197 1.00 1.00 H new ATOM 339 N THR A 51 -1.547 10.748 0.668 1.00 1.00 N ATOM 340 CA THR A 51 -2.646 9.916 0.207 1.00 1.00 C ATOM 341 C THR A 51 -2.158 8.925 -0.851 1.00 1.00 C ATOM 342 O THR A 51 -0.963 8.855 -1.137 1.00 1.00 O ATOM 343 CB THR A 51 -3.760 10.838 -0.291 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.224 11.423 -1.474 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.995 12.029 0.640 1.00 1.00 C ATOM 0 H THR A 51 -1.447 11.634 0.173 1.00 1.00 H new ATOM 0 HA THR A 51 -3.047 9.306 1.017 1.00 1.00 H new ATOM 0 HB THR A 51 -4.684 10.268 -0.392 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.883 12.035 -1.864 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.796 12.651 0.240 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.276 11.668 1.629 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.081 12.618 0.715 1.00 1.00 H new ATOM 353 N LEU A 52 -3.106 8.184 -1.405 1.00 1.00 N ATOM 354 CA LEU A 52 -2.788 7.201 -2.425 1.00 1.00 C ATOM 355 C LEU A 52 -2.942 7.839 -3.808 1.00 1.00 C ATOM 356 O LEU A 52 -3.073 7.136 -4.808 1.00 1.00 O ATOM 357 CB LEU A 52 -3.630 5.938 -2.234 1.00 1.00 C ATOM 358 CG LEU A 52 -3.404 5.173 -0.928 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.292 3.928 -0.861 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.924 4.832 -0.741 1.00 1.00 C ATOM 0 H LEU A 52 -4.096 8.245 -1.166 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.750 6.881 -2.334 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.683 6.215 -2.293 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.431 5.263 -3.066 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.693 5.820 -0.099 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.112 3.403 0.077 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.339 4.225 -0.915 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.058 3.269 -1.697 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.791 4.289 0.195 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.586 4.213 -1.572 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.340 5.752 -0.713 1.00 1.00 H new ATOM 372 N ALA A 53 -2.920 9.163 -3.819 1.00 1.00 N ATOM 373 CA ALA A 53 -3.055 9.904 -5.061 1.00 1.00 C ATOM 374 C ALA A 53 -1.759 9.784 -5.865 1.00 1.00 C ATOM 375 O ALA A 53 -0.672 10.002 -5.332 1.00 1.00 O ATOM 376 CB ALA A 53 -3.418 11.358 -4.753 1.00 1.00 C ATOM 0 H ALA A 53 -2.811 9.742 -2.987 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.860 9.490 -5.669 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.519 11.913 -5.686 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.361 11.390 -4.208 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.633 11.808 -4.146 1.00 1.00 H new ATOM 382 N ARG A 54 -1.917 9.439 -7.135 1.00 1.00 N ATOM 383 CA ARG A 54 -0.773 9.287 -8.017 1.00 1.00 C ATOM 384 C ARG A 54 0.139 10.512 -7.919 1.00 1.00 C ATOM 385 O ARG A 54 1.343 10.379 -7.706 1.00 1.00 O ATOM 386 CB ARG A 54 -1.218 9.106 -9.470 1.00 1.00 C ATOM 387 CG ARG A 54 -0.015 8.868 -10.385 1.00 1.00 C ATOM 388 CD ARG A 54 -0.268 9.440 -11.782 1.00 1.00 C ATOM 389 NE ARG A 54 0.857 10.315 -12.181 1.00 1.00 N ATOM 390 CZ ARG A 54 2.000 9.868 -12.743 1.00 1.00 C ATOM 391 NH1 ARG A 54 2.941 10.739 -13.060 1.00 1.00 N ATOM 392 NH2 ARG A 54 2.180 8.551 -12.978 1.00 1.00 N ATOM 0 H ARG A 54 -2.820 9.261 -7.574 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.227 8.397 -7.702 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.906 8.264 -9.541 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.762 9.991 -9.801 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.872 9.331 -9.953 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.186 7.799 -10.457 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.382 8.629 -12.501 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -1.200 10.005 -11.789 1.00 1.00 H new ATOM 0 HE ARG A 54 0.763 11.318 -12.021 1.00 1.00 H new ATOM 0 HH11 ARG A 54 2.798 11.733 -12.879 1.00 1.00 H new ATOM 0 HH12 ARG A 54 3.811 10.418 -13.485 1.00 1.00 H new ATOM 0 HH21 ARG A 54 1.449 7.884 -12.731 1.00 1.00 H new ATOM 0 HH22 ARG A 54 3.047 8.223 -13.403 1.00 1.00 H new ATOM 402 N ALA A 55 -0.471 11.678 -8.079 1.00 1.00 N ATOM 403 CA ALA A 55 0.271 12.925 -8.011 1.00 1.00 C ATOM 404 C ALA A 55 1.266 12.860 -6.851 1.00 1.00 C ATOM 405 O ALA A 55 2.369 13.396 -6.944 1.00 1.00 O ATOM 406 CB ALA A 55 -0.707 14.094 -7.875 1.00 1.00 C ATOM 0 H ALA A 55 -1.470 11.785 -8.255 1.00 1.00 H new ATOM 0 HA ALA A 55 0.842 13.082 -8.926 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.151 15.030 -7.824 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.372 14.114 -8.738 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.296 13.972 -6.966 1.00 1.00 H new ATOM 412 N ARG A 56 0.840 12.198 -5.785 1.00 1.00 N ATOM 413 CA ARG A 56 1.680 12.056 -4.608 1.00 1.00 C ATOM 414 C ARG A 56 2.524 10.783 -4.709 1.00 1.00 C ATOM 415 O ARG A 56 3.728 10.811 -4.460 1.00 1.00 O ATOM 416 CB ARG A 56 0.837 12.000 -3.332 1.00 1.00 C ATOM 417 CG ARG A 56 0.409 13.403 -2.897 1.00 1.00 C ATOM 418 CD ARG A 56 1.533 14.107 -2.134 1.00 1.00 C ATOM 419 NE ARG A 56 1.161 15.515 -1.870 1.00 1.00 N ATOM 420 CZ ARG A 56 0.185 15.893 -1.017 1.00 1.00 C ATOM 421 NH1 ARG A 56 -0.062 17.180 -0.858 1.00 1.00 N ATOM 422 NH2 ARG A 56 -0.526 14.969 -0.338 1.00 1.00 N ATOM 0 H ARG A 56 -0.076 11.754 -5.712 1.00 1.00 H new ATOM 0 HA ARG A 56 2.333 12.927 -4.560 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.045 11.383 -3.501 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.409 11.526 -2.534 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.135 13.991 -3.773 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -0.478 13.338 -2.267 1.00 1.00 H new ATOM 0 HD2 ARG A 56 1.724 13.590 -1.194 1.00 1.00 H new ATOM 0 HD3 ARG A 56 2.456 14.068 -2.712 1.00 1.00 H new ATOM 0 HE ARG A 56 1.674 16.246 -2.363 1.00 1.00 H new ATOM 0 HH11 ARG A 56 0.481 17.871 -1.376 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -0.796 17.483 -0.218 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -0.328 13.977 -0.467 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -1.262 15.263 0.305 1.00 1.00 H new ATOM 432 N ARG A 57 1.859 9.698 -5.074 1.00 1.00 N ATOM 433 CA ARG A 57 2.532 8.417 -5.211 1.00 1.00 C ATOM 434 C ARG A 57 3.645 8.513 -6.257 1.00 1.00 C ATOM 435 O ARG A 57 4.510 7.641 -6.330 1.00 1.00 O ATOM 436 CB ARG A 57 1.549 7.319 -5.621 1.00 1.00 C ATOM 437 CG ARG A 57 1.213 6.413 -4.434 1.00 1.00 C ATOM 438 CD ARG A 57 1.294 4.938 -4.831 1.00 1.00 C ATOM 439 NE ARG A 57 0.305 4.644 -5.892 1.00 1.00 N ATOM 440 CZ ARG A 57 -0.991 4.348 -5.658 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.787 4.103 -6.682 1.00 1.00 N ATOM 442 NH2 ARG A 57 -1.467 4.305 -4.396 1.00 1.00 N ATOM 0 H ARG A 57 0.860 9.679 -5.279 1.00 1.00 H new ATOM 0 HA ARG A 57 2.960 8.161 -4.242 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.636 7.770 -6.009 1.00 1.00 H new ATOM 0 HB3 ARG A 57 1.978 6.724 -6.427 1.00 1.00 H new ATOM 0 HG2 ARG A 57 1.903 6.611 -3.614 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.211 6.641 -4.070 1.00 1.00 H new ATOM 0 HD2 ARG A 57 2.298 4.702 -5.183 1.00 1.00 H new ATOM 0 HD3 ARG A 57 1.105 4.308 -3.962 1.00 1.00 H new ATOM 0 HE ARG A 57 0.623 4.666 -6.861 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -1.420 4.139 -7.633 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -2.769 3.878 -6.522 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -0.846 4.497 -3.610 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -2.448 4.081 -4.228 1.00 1.00 H new ATOM 452 N GLU A 58 3.587 9.579 -7.041 1.00 1.00 N ATOM 453 CA GLU A 58 4.579 9.799 -8.079 1.00 1.00 C ATOM 454 C GLU A 58 5.819 10.477 -7.493 1.00 1.00 C ATOM 455 O GLU A 58 6.944 10.041 -7.738 1.00 1.00 O ATOM 456 CB GLU A 58 3.996 10.623 -9.229 1.00 1.00 C ATOM 457 CG GLU A 58 4.373 12.100 -9.092 1.00 1.00 C ATOM 458 CD GLU A 58 3.869 12.908 -10.289 1.00 1.00 C ATOM 459 OE1 GLU A 58 2.738 13.416 -10.262 1.00 1.00 O ATOM 460 OE2 GLU A 58 4.699 13.001 -11.272 1.00 1.00 O ATOM 0 H GLU A 58 2.868 10.300 -6.978 1.00 1.00 H new ATOM 0 HA GLU A 58 4.875 8.831 -8.483 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.363 10.237 -10.180 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.911 10.521 -9.241 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.949 12.503 -8.172 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.456 12.197 -9.013 1.00 1.00 H new ATOM 468 N ALA A 59 5.574 11.532 -6.731 1.00 1.00 N ATOM 469 CA ALA A 59 6.657 12.274 -6.108 1.00 1.00 C ATOM 470 C ALA A 59 7.622 11.293 -5.439 1.00 1.00 C ATOM 471 O ALA A 59 8.837 11.420 -5.579 1.00 1.00 O ATOM 472 CB ALA A 59 6.078 13.288 -5.119 1.00 1.00 C ATOM 0 H ALA A 59 4.641 11.891 -6.530 1.00 1.00 H new ATOM 0 HA ALA A 59 7.220 12.833 -6.856 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.890 13.845 -4.651 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.422 13.979 -5.649 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.509 12.764 -4.352 1.00 1.00 H new ATOM 478 N ASN A 60 7.045 10.337 -4.726 1.00 1.00 N ATOM 479 CA ASN A 60 7.839 9.336 -4.035 1.00 1.00 C ATOM 480 C ASN A 60 8.304 8.279 -5.039 1.00 1.00 C ATOM 481 O ASN A 60 9.322 7.621 -4.826 1.00 1.00 O ATOM 482 CB ASN A 60 7.017 8.631 -2.954 1.00 1.00 C ATOM 483 CG ASN A 60 6.897 9.502 -1.702 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.509 10.751 -1.947 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.140 9.070 -0.587 1.00 1.00 N flip ATOM 0 H ASN A 60 6.037 10.235 -4.612 1.00 1.00 H new ATOM 0 HA ASN A 60 8.688 9.839 -3.572 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.023 8.402 -3.339 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.486 7.681 -2.697 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.434 8.100 -0.469 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.049 9.678 0.227 1.00 1.00 H new ATOM 492 N GLY A 61 7.537 8.149 -6.111 1.00 1.00 N ATOM 493 CA GLY A 61 7.858 7.183 -7.148 1.00 1.00 C ATOM 494 C GLY A 61 7.318 5.797 -6.793 1.00 1.00 C ATOM 495 O GLY A 61 8.088 4.877 -6.521 1.00 1.00 O ATOM 0 H GLY A 61 6.694 8.696 -6.284 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.435 7.510 -8.098 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.939 7.133 -7.281 1.00 1.00 H new ATOM 499 N ILE A 62 5.997 5.690 -6.806 1.00 1.00 N ATOM 500 CA ILE A 62 5.345 4.431 -6.489 1.00 1.00 C ATOM 501 C ILE A 62 4.231 4.168 -7.505 1.00 1.00 C ATOM 502 O ILE A 62 3.056 4.121 -7.144 1.00 1.00 O ATOM 503 CB ILE A 62 4.865 4.428 -5.036 1.00 1.00 C ATOM 504 CG1 ILE A 62 6.032 4.657 -4.073 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.100 3.143 -4.714 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.641 4.286 -2.641 1.00 1.00 C ATOM 0 H ILE A 62 5.361 6.455 -7.031 1.00 1.00 H new ATOM 0 HA ILE A 62 6.052 3.605 -6.569 1.00 1.00 H new ATOM 0 HB ILE A 62 4.171 5.258 -4.904 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.889 4.061 -4.386 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.340 5.702 -4.111 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.770 3.167 -3.675 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.232 3.062 -5.369 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.752 2.283 -4.868 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.488 4.458 -1.977 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.799 4.901 -2.323 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.357 3.234 -2.602 1.00 1.00 H new ATOM 518 N ARG A 63 4.641 4.004 -8.754 1.00 1.00 N ATOM 519 CA ARG A 63 3.692 3.747 -9.825 1.00 1.00 C ATOM 520 C ARG A 63 3.937 2.364 -10.430 1.00 1.00 C ATOM 521 O ARG A 63 4.134 2.237 -11.638 1.00 1.00 O ATOM 522 CB ARG A 63 3.803 4.805 -10.925 1.00 1.00 C ATOM 523 CG ARG A 63 4.127 6.179 -10.333 1.00 1.00 C ATOM 524 CD ARG A 63 5.538 6.625 -10.722 1.00 1.00 C ATOM 525 NE ARG A 63 6.525 6.061 -9.775 1.00 1.00 N ATOM 526 CZ ARG A 63 7.825 5.850 -10.074 1.00 1.00 C ATOM 527 NH1 ARG A 63 8.619 5.341 -9.150 1.00 1.00 N ATOM 528 NH2 ARG A 63 8.305 6.155 -11.298 1.00 1.00 N ATOM 0 H ARG A 63 5.617 4.044 -9.049 1.00 1.00 H new ATOM 0 HA ARG A 63 2.690 3.788 -9.398 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.580 4.518 -11.634 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.867 4.856 -11.481 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.400 6.911 -10.685 1.00 1.00 H new ATOM 0 HG3 ARG A 63 4.040 6.141 -9.247 1.00 1.00 H new ATOM 0 HD2 ARG A 63 5.766 6.297 -11.736 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.599 7.713 -10.718 1.00 1.00 H new ATOM 0 HE ARG A 63 6.204 5.816 -8.838 1.00 1.00 H new ATOM 0 HH11 ARG A 63 8.248 5.114 -8.228 1.00 1.00 H new ATOM 0 HH12 ARG A 63 9.604 5.175 -9.359 1.00 1.00 H new ATOM 0 HH21 ARG A 63 7.685 6.548 -12.006 1.00 1.00 H new ATOM 0 HH22 ARG A 63 9.288 5.992 -11.515 1.00 1.00 H new ATOM 538 N THR A 64 3.918 1.362 -9.564 1.00 1.00 N ATOM 539 CA THR A 64 4.135 -0.007 -9.998 1.00 1.00 C ATOM 540 C THR A 64 3.506 -0.988 -9.007 1.00 1.00 C ATOM 541 O THR A 64 3.402 -0.692 -7.817 1.00 1.00 O ATOM 542 CB THR A 64 5.640 -0.211 -10.182 1.00 1.00 C ATOM 543 OG1 THR A 64 6.201 0.200 -8.939 1.00 1.00 O ATOM 544 CG2 THR A 64 6.242 0.758 -11.201 1.00 1.00 C ATOM 0 H THR A 64 3.756 1.471 -8.563 1.00 1.00 H new ATOM 0 HA THR A 64 3.646 -0.201 -10.953 1.00 1.00 H new ATOM 0 HB THR A 64 5.831 -1.236 -10.499 1.00 1.00 H new ATOM 0 HG1 THR A 64 7.084 -0.209 -8.827 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.312 0.570 -11.293 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.763 0.612 -12.169 1.00 1.00 H new ATOM 0 HG23 THR A 64 6.081 1.783 -10.868 1.00 1.00 H new ATOM 552 N VAL A 65 3.103 -2.135 -9.533 1.00 1.00 N ATOM 553 CA VAL A 65 2.487 -3.161 -8.708 1.00 1.00 C ATOM 554 C VAL A 65 3.507 -3.668 -7.686 1.00 1.00 C ATOM 555 O VAL A 65 3.268 -3.602 -6.481 1.00 1.00 O ATOM 556 CB VAL A 65 1.924 -4.275 -9.594 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.668 -5.545 -8.780 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.651 -3.816 -10.308 1.00 1.00 C ATOM 0 H VAL A 65 3.191 -2.377 -10.520 1.00 1.00 H new ATOM 0 HA VAL A 65 1.645 -2.750 -8.151 1.00 1.00 H new ATOM 0 HB VAL A 65 2.669 -4.508 -10.354 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.268 -6.321 -9.433 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.603 -5.889 -8.338 1.00 1.00 H new ATOM 0 HG13 VAL A 65 0.950 -5.331 -7.988 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.271 -4.626 -10.931 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -0.102 -3.543 -9.569 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.876 -2.952 -10.933 1.00 1.00 H new ATOM 568 N ARG A 66 4.621 -4.162 -8.205 1.00 1.00 N ATOM 569 CA ARG A 66 5.678 -4.680 -7.352 1.00 1.00 C ATOM 570 C ARG A 66 5.918 -3.736 -6.172 1.00 1.00 C ATOM 571 O ARG A 66 5.745 -4.123 -5.017 1.00 1.00 O ATOM 572 CB ARG A 66 6.982 -4.852 -8.133 1.00 1.00 C ATOM 573 CG ARG A 66 6.884 -6.024 -9.111 1.00 1.00 C ATOM 574 CD ARG A 66 8.100 -6.066 -10.040 1.00 1.00 C ATOM 575 NE ARG A 66 8.723 -7.408 -9.998 1.00 1.00 N ATOM 576 CZ ARG A 66 9.656 -7.781 -9.097 1.00 1.00 C ATOM 577 NH1 ARG A 66 10.145 -9.006 -9.152 1.00 1.00 N ATOM 578 NH2 ARG A 66 10.084 -6.915 -8.154 1.00 1.00 N ATOM 0 H ARG A 66 4.815 -4.215 -9.205 1.00 1.00 H new ATOM 0 HA ARG A 66 5.359 -5.655 -6.983 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.207 -3.936 -8.679 1.00 1.00 H new ATOM 0 HB3 ARG A 66 7.806 -5.020 -7.440 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.813 -6.960 -8.557 1.00 1.00 H new ATOM 0 HG3 ARG A 66 5.973 -5.934 -9.702 1.00 1.00 H new ATOM 0 HD2 ARG A 66 7.797 -5.828 -11.060 1.00 1.00 H new ATOM 0 HD3 ARG A 66 8.825 -5.310 -9.738 1.00 1.00 H new ATOM 0 HE ARG A 66 8.429 -8.094 -10.693 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.817 -9.654 -9.868 1.00 1.00 H new ATOM 0 HH12 ARG A 66 10.851 -9.304 -8.479 1.00 1.00 H new ATOM 0 HH21 ARG A 66 9.702 -5.970 -8.118 1.00 1.00 H new ATOM 0 HH22 ARG A 66 10.789 -7.206 -7.477 1.00 1.00 H new ATOM 588 N ASP A 67 6.314 -2.516 -6.503 1.00 1.00 N ATOM 589 CA ASP A 67 6.580 -1.513 -5.486 1.00 1.00 C ATOM 590 C ASP A 67 5.580 -1.678 -4.339 1.00 1.00 C ATOM 591 O ASP A 67 5.955 -1.612 -3.170 1.00 1.00 O ATOM 592 CB ASP A 67 6.423 -0.100 -6.050 1.00 1.00 C ATOM 593 CG ASP A 67 7.646 0.439 -6.795 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.024 1.610 -6.638 1.00 1.00 O ATOM 595 OD2 ASP A 67 8.227 -0.409 -7.574 1.00 1.00 O ATOM 0 H ASP A 67 6.457 -2.199 -7.462 1.00 1.00 H new ATOM 0 HA ASP A 67 7.604 -1.650 -5.138 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.569 -0.088 -6.728 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.188 0.578 -5.230 1.00 1.00 H new ATOM 601 N VAL A 68 4.328 -1.891 -4.715 1.00 1.00 N ATOM 602 CA VAL A 68 3.272 -2.066 -3.733 1.00 1.00 C ATOM 603 C VAL A 68 3.235 -3.528 -3.285 1.00 1.00 C ATOM 604 O VAL A 68 2.183 -4.164 -3.314 1.00 1.00 O ATOM 605 CB VAL A 68 1.938 -1.583 -4.307 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.840 -1.611 -3.242 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.076 -0.186 -4.915 1.00 1.00 C ATOM 0 H VAL A 68 4.021 -1.946 -5.686 1.00 1.00 H new ATOM 0 HA VAL A 68 3.469 -1.460 -2.849 1.00 1.00 H new ATOM 0 HB VAL A 68 1.649 -2.268 -5.104 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.097 -1.263 -3.676 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.714 -2.630 -2.876 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.120 -0.960 -2.414 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.114 0.133 -5.316 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.399 0.515 -4.146 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.813 -0.210 -5.718 1.00 1.00 H new ATOM 617 N ALA A 69 4.398 -4.019 -2.880 1.00 1.00 N ATOM 618 CA ALA A 69 4.512 -5.394 -2.427 1.00 1.00 C ATOM 619 C ALA A 69 5.844 -5.577 -1.697 1.00 1.00 C ATOM 620 O ALA A 69 5.904 -6.240 -0.663 1.00 1.00 O ATOM 621 CB ALA A 69 4.367 -6.340 -3.621 1.00 1.00 C ATOM 0 H ALA A 69 5.269 -3.488 -2.857 1.00 1.00 H new ATOM 0 HA ALA A 69 3.714 -5.633 -1.724 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.453 -7.372 -3.280 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.393 -6.191 -4.087 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.152 -6.132 -4.348 1.00 1.00 H new ATOM 627 N ALA A 70 6.880 -4.977 -2.264 1.00 1.00 N ATOM 628 CA ALA A 70 8.208 -5.065 -1.681 1.00 1.00 C ATOM 629 C ALA A 70 8.293 -4.128 -0.474 1.00 1.00 C ATOM 630 O ALA A 70 8.457 -4.548 0.669 1.00 1.00 O ATOM 631 CB ALA A 70 9.257 -4.741 -2.746 1.00 1.00 C ATOM 0 H ALA A 70 6.827 -4.428 -3.122 1.00 1.00 H new ATOM 0 HA ALA A 70 8.405 -6.077 -1.328 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.253 -4.807 -2.308 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.174 -5.453 -3.567 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.093 -3.732 -3.123 1.00 1.00 H new ATOM 637 N TYR A 71 8.177 -2.829 -0.760 1.00 1.00 N ATOM 638 CA TYR A 71 8.238 -1.813 0.272 1.00 1.00 C ATOM 639 C TYR A 71 7.396 -2.238 1.466 1.00 1.00 C ATOM 640 O TYR A 71 7.924 -2.296 2.575 1.00 1.00 O ATOM 641 CB TYR A 71 7.743 -0.485 -0.295 1.00 1.00 C ATOM 642 CG TYR A 71 8.852 0.495 -0.592 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.851 1.758 0.014 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.881 0.142 -1.473 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.880 2.666 -0.262 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.910 1.051 -1.748 1.00 1.00 C ATOM 647 CZ TYR A 71 10.909 2.313 -1.142 1.00 1.00 C ATOM 648 OH TYR A 71 11.912 3.198 -1.410 1.00 1.00 O ATOM 0 H TYR A 71 8.040 -2.464 -1.703 1.00 1.00 H new ATOM 0 HA TYR A 71 9.268 -1.690 0.607 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.183 -0.676 -1.211 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.050 -0.033 0.414 1.00 1.00 H new ATOM 0 HD1 TYR A 71 8.057 2.031 0.693 1.00 1.00 H new ATOM 0 HD2 TYR A 71 9.881 -0.832 -1.941 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.880 3.640 0.205 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.704 0.779 -2.427 1.00 1.00 H new ATOM 0 HH TYR A 71 12.545 2.794 -2.040 1.00 1.00 H new ATOM 658 N ILE A 72 6.125 -2.523 1.224 1.00 1.00 N ATOM 659 CA ILE A 72 5.235 -2.939 2.295 1.00 1.00 C ATOM 660 C ILE A 72 5.986 -3.879 3.240 1.00 1.00 C ATOM 661 O ILE A 72 5.774 -3.845 4.452 1.00 1.00 O ATOM 662 CB ILE A 72 3.951 -3.542 1.720 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.263 -4.738 0.818 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.123 -2.478 0.996 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.144 -5.779 0.883 1.00 1.00 C ATOM 0 H ILE A 72 5.690 -2.474 0.303 1.00 1.00 H new ATOM 0 HA ILE A 72 4.920 -2.078 2.885 1.00 1.00 H new ATOM 0 HB ILE A 72 3.346 -3.913 2.548 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.390 -4.399 -0.210 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.206 -5.192 1.123 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.216 -2.932 0.597 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.855 -1.687 1.696 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.708 -2.056 0.179 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.390 -6.619 0.233 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.036 -6.133 1.908 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.208 -5.328 0.554 1.00 1.00 H new ATOM 677 N ARG A 73 6.847 -4.695 2.651 1.00 1.00 N ATOM 678 CA ARG A 73 7.630 -5.642 3.426 1.00 1.00 C ATOM 679 C ARG A 73 8.462 -4.907 4.479 1.00 1.00 C ATOM 680 O ARG A 73 8.266 -5.103 5.677 1.00 1.00 O ATOM 681 CB ARG A 73 8.563 -6.454 2.524 1.00 1.00 C ATOM 682 CG ARG A 73 8.999 -7.749 3.211 1.00 1.00 C ATOM 683 CD ARG A 73 10.299 -7.545 3.991 1.00 1.00 C ATOM 684 NE ARG A 73 10.981 -8.844 4.188 1.00 1.00 N ATOM 685 CZ ARG A 73 12.196 -8.983 4.760 1.00 1.00 C ATOM 686 NH1 ARG A 73 12.710 -10.192 4.885 1.00 1.00 N ATOM 687 NH2 ARG A 73 12.875 -7.901 5.197 1.00 1.00 N ATOM 0 H ARG A 73 7.020 -4.720 1.646 1.00 1.00 H new ATOM 0 HA ARG A 73 6.935 -6.323 3.918 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.057 -6.688 1.587 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.440 -5.858 2.272 1.00 1.00 H new ATOM 0 HG2 ARG A 73 8.214 -8.088 3.887 1.00 1.00 H new ATOM 0 HG3 ARG A 73 9.137 -8.532 2.465 1.00 1.00 H new ATOM 0 HD2 ARG A 73 10.953 -6.860 3.451 1.00 1.00 H new ATOM 0 HD3 ARG A 73 10.085 -7.087 4.957 1.00 1.00 H new ATOM 0 HE ARG A 73 10.503 -9.687 3.872 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.190 -11.004 4.552 1.00 1.00 H new ATOM 0 HH12 ARG A 73 13.627 -10.314 5.315 1.00 1.00 H new ATOM 0 HH21 ARG A 73 12.471 -6.970 5.096 1.00 1.00 H new ATOM 0 HH22 ARG A 73 13.792 -8.014 5.628 1.00 1.00 H new ATOM 697 N ASN A 74 9.373 -4.077 3.993 1.00 1.00 N ATOM 698 CA ASN A 74 10.236 -3.312 4.878 1.00 1.00 C ATOM 699 C ASN A 74 10.142 -1.828 4.516 1.00 1.00 C ATOM 700 O ASN A 74 11.047 -1.242 3.927 1.00 1.00 O ATOM 701 CB ASN A 74 11.696 -3.743 4.732 1.00 1.00 C ATOM 702 CG ASN A 74 12.490 -3.430 6.002 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.389 -2.605 6.015 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.109 -4.133 7.065 1.00 1.00 N ATOM 0 H ASN A 74 9.533 -3.917 2.998 1.00 1.00 H new ATOM 0 HA ASN A 74 9.910 -3.488 5.903 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.744 -4.812 4.523 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.147 -3.231 3.882 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.577 -3.997 7.961 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.348 -4.808 6.984 1.00 1.00 H new ATOM 711 N PRO A 75 9.010 -1.227 4.888 1.00 1.00 N ATOM 712 CA PRO A 75 8.711 0.169 4.649 1.00 1.00 C ATOM 713 C PRO A 75 9.378 1.023 5.718 1.00 1.00 C ATOM 714 O PRO A 75 9.969 0.465 6.641 1.00 1.00 O ATOM 715 CB PRO A 75 7.189 0.265 4.742 1.00 1.00 C ATOM 716 CG PRO A 75 6.818 -0.838 5.669 1.00 1.00 C ATOM 717 CD PRO A 75 7.925 -1.886 5.582 1.00 1.00 C ATOM 0 HA PRO A 75 9.076 0.523 3.685 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.872 1.234 5.127 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.720 0.141 3.766 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.718 -0.467 6.689 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.856 -1.269 5.390 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.234 -2.217 6.573 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.590 -2.771 5.041 1.00 1.00 H new ATOM 725 N GLY A 76 9.276 2.337 5.577 1.00 1.00 N ATOM 726 CA GLY A 76 9.879 3.242 6.540 1.00 1.00 C ATOM 727 C GLY A 76 8.956 3.457 7.742 1.00 1.00 C ATOM 728 O GLY A 76 7.936 2.792 7.908 1.00 1.00 O ATOM 0 H GLY A 76 8.785 2.796 4.810 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.833 2.837 6.877 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.090 4.199 6.063 1.00 1.00 H new ATOM 732 N PRO A 77 9.344 4.415 8.587 1.00 1.00 N ATOM 733 CA PRO A 77 8.623 4.786 9.786 1.00 1.00 C ATOM 734 C PRO A 77 7.242 5.303 9.411 1.00 1.00 C ATOM 735 O PRO A 77 7.067 5.768 8.285 1.00 1.00 O ATOM 736 CB PRO A 77 9.466 5.889 10.423 1.00 1.00 C ATOM 737 CG PRO A 77 10.335 6.420 9.338 1.00 1.00 C ATOM 738 CD PRO A 77 10.538 5.215 8.422 1.00 1.00 C ATOM 0 HA PRO A 77 8.475 3.949 10.469 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.833 6.675 10.836 1.00 1.00 H new ATOM 0 HB3 PRO A 77 10.064 5.497 11.245 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.860 7.248 8.812 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.282 6.792 9.728 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.666 5.525 7.385 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.431 4.654 8.699 1.00 1.00 H new ATOM 746 N GLY A 78 6.302 5.213 10.340 1.00 1.00 N ATOM 747 CA GLY A 78 4.949 5.676 10.083 1.00 1.00 C ATOM 748 C GLY A 78 4.053 4.524 9.624 1.00 1.00 C ATOM 749 O GLY A 78 2.864 4.494 9.939 1.00 1.00 O ATOM 0 H GLY A 78 6.451 4.826 11.272 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.536 6.124 10.987 1.00 1.00 H new ATOM 0 HA3 GLY A 78 4.966 6.454 9.320 1.00 1.00 H new ATOM 753 N MET A 79 4.657 3.603 8.888 1.00 1.00 N ATOM 754 CA MET A 79 3.929 2.452 8.382 1.00 1.00 C ATOM 755 C MET A 79 4.538 1.148 8.900 1.00 1.00 C ATOM 756 O MET A 79 5.742 0.915 8.827 1.00 1.00 O ATOM 757 CB MET A 79 3.961 2.459 6.853 1.00 1.00 C ATOM 758 CG MET A 79 2.741 1.737 6.276 1.00 1.00 C ATOM 759 SD MET A 79 2.508 2.204 4.569 1.00 1.00 S ATOM 760 CE MET A 79 3.038 0.702 3.762 1.00 1.00 C ATOM 0 H MET A 79 5.643 3.631 8.630 1.00 1.00 H new ATOM 0 HA MET A 79 2.899 2.514 8.732 1.00 1.00 H new ATOM 0 HB2 MET A 79 3.985 3.487 6.491 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.873 1.976 6.502 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.877 0.658 6.351 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.852 1.987 6.855 1.00 1.00 H new ATOM 0 HE1 MET A 79 2.956 0.821 2.682 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.075 0.493 4.027 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.407 -0.126 4.085 1.00 1.00 H new ATOM 770 N PRO A 80 3.665 0.290 9.434 1.00 1.00 N ATOM 771 CA PRO A 80 4.020 -1.001 9.982 1.00 1.00 C ATOM 772 C PRO A 80 4.799 -1.799 8.946 1.00 1.00 C ATOM 773 O PRO A 80 5.559 -1.202 8.185 1.00 1.00 O ATOM 774 CB PRO A 80 2.686 -1.672 10.300 1.00 1.00 C ATOM 775 CG PRO A 80 1.717 -0.585 10.437 1.00 1.00 C ATOM 776 CD PRO A 80 2.242 0.531 9.537 1.00 1.00 C ATOM 0 HA PRO A 80 4.652 -0.927 10.867 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.394 -2.358 9.505 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.751 -2.256 11.218 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.721 -0.904 10.130 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.640 -0.253 11.472 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.765 0.505 8.557 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.038 1.512 9.965 1.00 1.00 H new ATOM 784 N ALA A 81 4.603 -3.109 8.935 1.00 1.00 N ATOM 785 CA ALA A 81 5.298 -3.962 7.986 1.00 1.00 C ATOM 786 C ALA A 81 4.500 -5.251 7.786 1.00 1.00 C ATOM 787 O ALA A 81 3.683 -5.618 8.629 1.00 1.00 O ATOM 788 CB ALA A 81 6.720 -4.228 8.486 1.00 1.00 C ATOM 0 H ALA A 81 3.973 -3.601 9.568 1.00 1.00 H new ATOM 0 HA ALA A 81 5.379 -3.471 7.016 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.242 -4.868 7.775 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.254 -3.283 8.584 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.678 -4.723 9.456 1.00 1.00 H new ATOM 794 N PHE A 82 4.763 -5.904 6.663 1.00 1.00 N ATOM 795 CA PHE A 82 4.079 -7.145 6.341 1.00 1.00 C ATOM 796 C PHE A 82 5.040 -8.152 5.707 1.00 1.00 C ATOM 797 O PHE A 82 5.360 -8.051 4.523 1.00 1.00 O ATOM 798 CB PHE A 82 2.981 -6.801 5.332 1.00 1.00 C ATOM 799 CG PHE A 82 1.995 -5.740 5.823 1.00 1.00 C ATOM 800 CD1 PHE A 82 0.881 -6.112 6.510 1.00 1.00 C ATOM 801 CD2 PHE A 82 2.231 -4.424 5.573 1.00 1.00 C ATOM 802 CE1 PHE A 82 -0.034 -5.127 6.966 1.00 1.00 C ATOM 803 CE2 PHE A 82 1.315 -3.439 6.029 1.00 1.00 C ATOM 804 CZ PHE A 82 0.202 -3.812 6.716 1.00 1.00 C ATOM 0 H PHE A 82 5.440 -5.597 5.965 1.00 1.00 H new ATOM 0 HA PHE A 82 3.673 -7.593 7.248 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.446 -6.451 4.410 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.430 -7.709 5.087 1.00 1.00 H new ATOM 0 HD1 PHE A 82 0.693 -7.157 6.708 1.00 1.00 H new ATOM 0 HD2 PHE A 82 3.115 -4.128 5.028 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -0.918 -5.423 7.512 1.00 1.00 H new ATOM 0 HE2 PHE A 82 1.502 -2.394 5.830 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.494 -3.063 7.063 1.00 1.00 H new ATOM 814 N GLY A 83 5.474 -9.102 6.523 1.00 1.00 N ATOM 815 CA GLY A 83 6.393 -10.127 6.057 1.00 1.00 C ATOM 816 C GLY A 83 5.636 -11.382 5.616 1.00 1.00 C ATOM 817 O GLY A 83 4.410 -11.368 5.516 1.00 1.00 O ATOM 0 H GLY A 83 5.206 -9.183 7.504 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.982 -9.742 5.225 1.00 1.00 H new ATOM 0 HA3 GLY A 83 7.094 -10.381 6.852 1.00 1.00 H new ATOM 821 N GLU A 84 6.398 -12.436 5.365 1.00 1.00 N ATOM 822 CA GLU A 84 5.815 -13.696 4.937 1.00 1.00 C ATOM 823 C GLU A 84 5.210 -14.434 6.133 1.00 1.00 C ATOM 824 O GLU A 84 4.714 -15.550 5.992 1.00 1.00 O ATOM 825 CB GLU A 84 6.852 -14.566 4.224 1.00 1.00 C ATOM 826 CG GLU A 84 7.927 -15.049 5.200 1.00 1.00 C ATOM 827 CD GLU A 84 7.874 -16.569 5.366 1.00 1.00 C ATOM 828 OE1 GLU A 84 7.310 -17.267 4.510 1.00 1.00 O ATOM 829 OE2 GLU A 84 8.446 -17.021 6.430 1.00 1.00 O ATOM 0 H GLU A 84 7.414 -12.443 5.450 1.00 1.00 H new ATOM 0 HA GLU A 84 5.018 -13.482 4.225 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.359 -15.424 3.766 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.316 -13.998 3.418 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.912 -14.753 4.838 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.786 -14.569 6.168 1.00 1.00 H new ATOM 837 N ALA A 85 5.271 -13.780 7.284 1.00 1.00 N ATOM 838 CA ALA A 85 4.735 -14.359 8.503 1.00 1.00 C ATOM 839 C ALA A 85 3.216 -14.488 8.377 1.00 1.00 C ATOM 840 O ALA A 85 2.637 -15.488 8.799 1.00 1.00 O ATOM 841 CB ALA A 85 5.150 -13.503 9.701 1.00 1.00 C ATOM 0 H ALA A 85 5.684 -12.854 7.397 1.00 1.00 H new ATOM 0 HA ALA A 85 5.138 -15.359 8.662 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.747 -13.938 10.616 1.00 1.00 H new ATOM 0 HB2 ALA A 85 6.238 -13.468 9.764 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.761 -12.492 9.578 1.00 1.00 H new ATOM 847 N MET A 86 2.614 -13.462 7.794 1.00 1.00 N ATOM 848 CA MET A 86 1.173 -13.448 7.607 1.00 1.00 C ATOM 849 C MET A 86 0.813 -13.431 6.120 1.00 1.00 C ATOM 850 O MET A 86 0.067 -14.288 5.648 1.00 1.00 O ATOM 851 CB MET A 86 0.581 -12.213 8.290 1.00 1.00 C ATOM 852 CG MET A 86 -0.920 -12.386 8.530 1.00 1.00 C ATOM 853 SD MET A 86 -1.516 -11.103 9.618 1.00 1.00 S ATOM 854 CE MET A 86 -0.866 -11.689 11.174 1.00 1.00 C ATOM 0 H MET A 86 3.098 -12.635 7.445 1.00 1.00 H new ATOM 0 HA MET A 86 0.759 -14.353 8.051 1.00 1.00 H new ATOM 0 HB2 MET A 86 1.087 -12.040 9.240 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.755 -11.332 7.672 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.455 -12.347 7.581 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.116 -13.365 8.967 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.605 -11.532 11.959 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.639 -12.752 11.096 1.00 1.00 H new ATOM 0 HE3 MET A 86 0.044 -11.141 11.418 1.00 1.00 H new ATOM 864 N ILE A 87 1.361 -12.447 5.423 1.00 1.00 N ATOM 865 CA ILE A 87 1.107 -12.307 3.999 1.00 1.00 C ATOM 866 C ILE A 87 2.419 -12.484 3.232 1.00 1.00 C ATOM 867 O ILE A 87 3.374 -11.726 3.388 1.00 1.00 O ATOM 868 CB ILE A 87 0.398 -10.983 3.708 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.838 -10.817 4.593 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.060 -10.857 2.221 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.816 -9.808 3.987 1.00 1.00 C ATOM 0 H ILE A 87 1.980 -11.739 5.818 1.00 1.00 H new ATOM 0 HA ILE A 87 0.428 -13.087 3.655 1.00 1.00 H new ATOM 0 HB ILE A 87 1.081 -10.169 3.953 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.333 -11.780 4.716 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.536 -10.485 5.586 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.443 -9.907 2.042 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.978 -10.898 1.635 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.596 -11.676 1.926 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.686 -9.709 4.636 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.325 -8.840 3.888 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.135 -10.155 3.004 1.00 1.00 H new ATOM 883 N PRO A 88 2.444 -13.517 2.387 1.00 1.00 N ATOM 884 CA PRO A 88 3.580 -13.869 1.561 1.00 1.00 C ATOM 885 C PRO A 88 3.715 -12.864 0.426 1.00 1.00 C ATOM 886 O PRO A 88 2.720 -12.465 -0.174 1.00 1.00 O ATOM 887 CB PRO A 88 3.257 -15.262 1.025 1.00 1.00 C ATOM 888 CG PRO A 88 1.778 -15.319 1.017 1.00 1.00 C ATOM 889 CD PRO A 88 1.340 -14.429 2.179 1.00 1.00 C ATOM 0 HA PRO A 88 4.523 -13.860 2.108 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.666 -15.408 0.025 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.681 -16.040 1.659 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.375 -14.959 0.071 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.422 -16.341 1.147 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.423 -13.891 1.940 1.00 1.00 H new ATOM 0 HD3 PRO A 88 1.140 -15.018 3.074 1.00 1.00 H new ATOM 897 N PRO A 89 4.952 -12.456 0.132 1.00 1.00 N ATOM 898 CA PRO A 89 5.271 -11.508 -0.913 1.00 1.00 C ATOM 899 C PRO A 89 4.424 -11.799 -2.143 1.00 1.00 C ATOM 900 O PRO A 89 3.889 -10.861 -2.732 1.00 1.00 O ATOM 901 CB PRO A 89 6.754 -11.730 -1.204 1.00 1.00 C ATOM 902 CG PRO A 89 7.301 -12.253 0.063 1.00 1.00 C ATOM 903 CD PRO A 89 6.144 -12.906 0.817 1.00 1.00 C ATOM 0 HA PRO A 89 5.070 -10.476 -0.625 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.897 -12.437 -2.021 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.245 -10.802 -1.496 1.00 1.00 H new ATOM 0 HG2 PRO A 89 8.093 -12.977 -0.129 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.741 -11.449 0.654 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.224 -13.993 0.798 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.135 -12.605 1.865 1.00 1.00 H new ATOM 911 N ALA A 90 4.319 -13.070 -2.504 1.00 1.00 N ATOM 912 CA ALA A 90 3.535 -13.455 -3.665 1.00 1.00 C ATOM 913 C ALA A 90 2.089 -12.994 -3.475 1.00 1.00 C ATOM 914 O ALA A 90 1.462 -12.499 -4.411 1.00 1.00 O ATOM 915 CB ALA A 90 3.642 -14.967 -3.875 1.00 1.00 C ATOM 0 H ALA A 90 4.764 -13.846 -2.013 1.00 1.00 H new ATOM 0 HA ALA A 90 3.919 -12.973 -4.564 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.054 -15.256 -4.746 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.685 -15.239 -4.035 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.263 -15.484 -2.994 1.00 1.00 H new ATOM 921 N ASP A 91 1.600 -13.173 -2.256 1.00 1.00 N ATOM 922 CA ASP A 91 0.239 -12.781 -1.931 1.00 1.00 C ATOM 923 C ASP A 91 0.153 -11.255 -1.868 1.00 1.00 C ATOM 924 O ASP A 91 -0.937 -10.694 -1.772 1.00 1.00 O ATOM 925 CB ASP A 91 -0.183 -13.335 -0.569 1.00 1.00 C ATOM 926 CG ASP A 91 -0.492 -14.833 -0.547 1.00 1.00 C ATOM 927 OD1 ASP A 91 -1.260 -15.315 0.299 1.00 1.00 O ATOM 928 OD2 ASP A 91 0.101 -15.525 -1.460 1.00 1.00 O ATOM 0 H ASP A 91 2.122 -13.584 -1.482 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.420 -13.180 -2.703 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.611 -13.133 0.150 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.066 -12.792 -0.231 1.00 1.00 H new ATOM 934 N ALA A 92 1.318 -10.626 -1.924 1.00 1.00 N ATOM 935 CA ALA A 92 1.388 -9.175 -1.875 1.00 1.00 C ATOM 936 C ALA A 92 1.289 -8.616 -3.295 1.00 1.00 C ATOM 937 O ALA A 92 0.864 -7.477 -3.489 1.00 1.00 O ATOM 938 CB ALA A 92 2.678 -8.751 -1.170 1.00 1.00 C ATOM 0 H ALA A 92 2.221 -11.094 -2.003 1.00 1.00 H new ATOM 0 HA ALA A 92 0.554 -8.769 -1.302 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.732 -7.663 -1.133 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.686 -9.150 -0.156 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.537 -9.138 -1.719 1.00 1.00 H new ATOM 944 N LEU A 93 1.688 -9.441 -4.252 1.00 1.00 N ATOM 945 CA LEU A 93 1.648 -9.042 -5.648 1.00 1.00 C ATOM 946 C LEU A 93 0.193 -8.841 -6.076 1.00 1.00 C ATOM 947 O LEU A 93 -0.079 -8.161 -7.064 1.00 1.00 O ATOM 948 CB LEU A 93 2.410 -10.048 -6.514 1.00 1.00 C ATOM 949 CG LEU A 93 3.929 -10.076 -6.330 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.545 -11.281 -7.043 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.561 -8.758 -6.782 1.00 1.00 C ATOM 0 H LEU A 93 2.041 -10.384 -4.088 1.00 1.00 H new ATOM 0 HA LEU A 93 2.156 -8.087 -5.786 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.020 -11.045 -6.306 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.195 -9.833 -7.561 1.00 1.00 H new ATOM 0 HG LEU A 93 4.142 -10.187 -5.267 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.625 -11.277 -6.897 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.126 -12.200 -6.632 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.323 -11.226 -8.109 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.641 -8.805 -6.640 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.340 -8.591 -7.836 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.153 -7.938 -6.192 1.00 1.00 H new ATOM 963 N LYS A 94 -0.704 -9.444 -5.310 1.00 1.00 N ATOM 964 CA LYS A 94 -2.125 -9.339 -5.597 1.00 1.00 C ATOM 965 C LYS A 94 -2.678 -8.066 -4.955 1.00 1.00 C ATOM 966 O LYS A 94 -3.700 -7.540 -5.392 1.00 1.00 O ATOM 967 CB LYS A 94 -2.854 -10.613 -5.166 1.00 1.00 C ATOM 968 CG LYS A 94 -2.784 -10.797 -3.648 1.00 1.00 C ATOM 969 CD LYS A 94 -4.165 -11.118 -3.071 1.00 1.00 C ATOM 970 CE LYS A 94 -4.801 -12.303 -3.799 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.272 -12.148 -3.855 1.00 1.00 N ATOM 0 H LYS A 94 -0.475 -10.007 -4.491 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.292 -9.252 -6.671 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.896 -10.565 -5.483 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.410 -11.476 -5.662 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.089 -11.602 -3.407 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -2.394 -9.890 -3.186 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.075 -11.345 -2.009 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -4.811 -10.244 -3.157 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.398 -12.375 -4.809 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.546 -13.231 -3.287 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.688 -12.961 -4.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -6.653 -12.101 -2.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.510 -11.272 -4.363 1.00 1.00 H new ATOM 984 N ILE A 95 -1.979 -7.608 -3.927 1.00 1.00 N ATOM 985 CA ILE A 95 -2.387 -6.406 -3.220 1.00 1.00 C ATOM 986 C ILE A 95 -2.110 -5.184 -4.097 1.00 1.00 C ATOM 987 O ILE A 95 -3.004 -4.376 -4.344 1.00 1.00 O ATOM 988 CB ILE A 95 -1.720 -6.340 -1.845 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.910 -7.652 -1.079 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.221 -5.134 -1.049 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.329 -7.756 -0.515 1.00 1.00 C ATOM 0 H ILE A 95 -1.132 -8.048 -3.567 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.460 -6.424 -3.028 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.648 -6.205 -1.992 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.715 -8.496 -1.741 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.186 -7.711 -0.266 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.731 -5.111 -0.076 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.991 -4.218 -1.593 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.299 -5.212 -0.910 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.438 -8.697 0.025 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.512 -6.924 0.165 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -4.049 -7.721 -1.333 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.866 -5.087 -4.545 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.460 -3.976 -5.389 1.00 1.00 C ATOM 1005 C GLY A 96 -1.511 -3.691 -6.464 1.00 1.00 C ATOM 1006 O GLY A 96 -1.643 -2.558 -6.923 1.00 1.00 O ATOM 0 H GLY A 96 -0.127 -5.759 -4.339 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.310 -3.086 -4.778 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.496 -4.204 -5.861 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.232 -4.740 -6.834 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.267 -4.617 -7.846 1.00 1.00 C ATOM 1012 C GLU A 97 -4.399 -3.720 -7.341 1.00 1.00 C ATOM 1013 O GLU A 97 -4.846 -2.792 -8.011 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.798 -5.991 -8.258 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.653 -6.991 -8.435 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.119 -8.226 -9.208 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.791 -9.098 -8.636 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -2.759 -8.263 -10.446 1.00 1.00 O ATOM 0 H GLU A 97 -2.119 -5.679 -6.451 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.830 -4.154 -8.730 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.493 -6.358 -7.502 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.357 -5.904 -9.190 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.828 -6.515 -8.966 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.273 -7.291 -7.458 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.859 -4.023 -6.125 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.931 -3.271 -5.505 1.00 1.00 C ATOM 1028 C TYR A 98 -5.647 -1.780 -5.617 1.00 1.00 C ATOM 1029 O TYR A 98 -6.593 -0.993 -5.621 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.063 -3.688 -4.043 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.221 -3.030 -3.331 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -8.533 -3.429 -3.612 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -6.983 -2.020 -2.391 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -9.607 -2.820 -2.951 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -8.056 -1.411 -1.731 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.368 -1.810 -2.011 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.414 -1.217 -1.367 1.00 1.00 O ATOM 0 H TYR A 98 -4.498 -4.788 -5.555 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.871 -3.481 -6.016 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.183 -4.770 -3.992 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.139 -3.444 -3.519 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -8.717 -4.207 -4.339 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -5.971 -1.711 -2.175 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -10.619 -3.129 -3.166 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -7.872 -0.633 -1.005 1.00 1.00 H new ATOM 0 HH TYR A 98 -10.074 -0.538 -0.747 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.374 -1.423 -5.705 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.995 -0.025 -5.817 1.00 1.00 C ATOM 1049 C VAL A 99 -3.747 0.316 -7.287 1.00 1.00 C ATOM 1050 O VAL A 99 -2.894 1.146 -7.601 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.785 0.261 -4.925 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.244 1.671 -5.170 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.132 0.056 -3.449 1.00 1.00 C ATOM 0 H VAL A 99 -3.592 -2.078 -5.701 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.801 0.619 -5.466 1.00 1.00 H new ATOM 0 HB VAL A 99 -2.000 -0.449 -5.187 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.385 1.848 -4.523 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.940 1.768 -6.212 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -3.021 2.402 -4.949 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.255 0.266 -2.837 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.941 0.731 -3.168 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.448 -0.975 -3.289 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.508 -0.341 -8.151 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.382 -0.117 -9.581 1.00 1.00 C ATOM 1065 C VAL A 100 -5.757 -0.253 -10.237 1.00 1.00 C ATOM 1066 O VAL A 100 -5.854 -0.481 -11.442 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.341 -1.072 -10.170 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.297 -0.962 -11.695 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.960 -0.821 -9.561 1.00 1.00 C ATOM 0 H VAL A 100 -5.214 -1.028 -7.888 1.00 1.00 H new ATOM 0 HA VAL A 100 -4.026 0.894 -9.780 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.638 -2.090 -9.917 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.549 -1.651 -12.088 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.274 -1.214 -12.106 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -3.036 0.057 -11.979 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.239 -1.513 -9.997 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.651 0.203 -9.769 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -2.004 -0.975 -8.483 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.786 -0.108 -9.416 1.00 1.00 N ATOM 1080 CA ALA A 101 -8.152 -0.211 -9.901 1.00 1.00 C ATOM 1081 C ALA A 101 -8.946 1.014 -9.442 1.00 1.00 C ATOM 1082 O ALA A 101 -10.168 0.954 -9.316 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.769 -1.523 -9.413 1.00 1.00 C ATOM 0 H ALA A 101 -6.701 0.080 -8.417 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.172 -0.227 -10.991 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.794 -1.601 -9.777 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.185 -2.362 -9.791 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.768 -1.542 -8.323 1.00 1.00 H new ATOM 1089 N SER A 102 -8.219 2.096 -9.205 1.00 1.00 N ATOM 1090 CA SER A 102 -8.840 3.332 -8.763 1.00 1.00 C ATOM 1091 C SER A 102 -7.934 4.520 -9.094 1.00 1.00 C ATOM 1092 O SER A 102 -8.402 5.540 -9.598 1.00 1.00 O ATOM 1093 CB SER A 102 -9.139 3.294 -7.263 1.00 1.00 C ATOM 1094 OG SER A 102 -7.957 3.103 -6.489 1.00 1.00 O ATOM 0 H SER A 102 -7.206 2.142 -9.311 1.00 1.00 H new ATOM 0 HA SER A 102 -9.787 3.446 -9.291 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.621 4.225 -6.965 1.00 1.00 H new ATOM 0 HB3 SER A 102 -9.844 2.489 -7.054 1.00 1.00 H new ATOM 0 HG SER A 102 -7.620 3.972 -6.187 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.655 4.349 -8.796 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.680 5.394 -9.055 1.00 1.00 C ATOM 1102 C PHE A 103 -4.296 4.799 -9.325 1.00 1.00 C ATOM 1103 O PHE A 103 -3.450 4.688 -8.441 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.611 6.264 -7.798 1.00 1.00 C ATOM 1105 CG PHE A 103 -6.035 5.541 -6.518 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.537 4.307 -6.236 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.910 6.133 -5.661 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.931 3.636 -5.048 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.304 5.462 -4.473 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.806 4.228 -4.192 1.00 1.00 C ATOM 0 H PHE A 103 -6.271 3.502 -8.377 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.976 5.969 -9.932 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.591 6.629 -7.676 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.248 7.138 -7.938 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.842 3.837 -6.916 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.305 7.113 -5.884 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.536 2.656 -4.825 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.999 5.932 -3.793 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.106 3.718 -3.288 1.00 1.00 H new ATOM 1120 N PRO A 104 -4.084 4.412 -10.585 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.850 3.826 -11.062 1.00 1.00 C ATOM 1122 C PRO A 104 -1.852 4.929 -11.385 1.00 1.00 C ATOM 1123 O PRO A 104 -2.007 6.061 -10.932 1.00 1.00 O ATOM 1124 CB PRO A 104 -3.243 3.057 -12.321 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.416 3.831 -12.847 1.00 1.00 C ATOM 1126 CD PRO A 104 -5.057 4.528 -11.649 1.00 1.00 C ATOM 0 HA PRO A 104 -2.377 3.175 -10.327 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.427 3.023 -13.043 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -3.511 2.025 -12.095 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.096 4.559 -13.592 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -5.129 3.167 -13.336 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.277 5.572 -11.871 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -6.000 4.055 -11.375 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.359 2.715 4.202 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.660 5.577 2.790 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.179 1.329 0.925 1.00 1.00 C HETATM 1138 CHC HEC A 201 -1.007 -0.231 5.384 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.185 4.183 7.218 1.00 1.00 C HETATM 1140 NA HEC A 201 0.869 3.303 2.253 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.306 4.569 1.901 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.346 4.703 0.463 1.00 1.00 C HETATM 1143 C3A HEC A 201 0.936 3.527 -0.057 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.638 2.653 1.053 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.800 3.154 -1.504 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.771 5.941 -0.272 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.256 6.264 -0.135 1.00 1.00 C HETATM 1148 CGA HEC A 201 3.470 7.518 0.701 1.00 1.00 C HETATM 1149 O1A HEC A 201 4.448 7.521 1.479 1.00 1.00 O HETATM 1150 O2A HEC A 201 2.650 8.449 0.547 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.290 0.924 3.313 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.263 0.542 1.983 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.765 -0.805 1.838 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.094 -1.240 3.072 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.800 -0.168 3.994 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.880 -1.543 0.536 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.661 -2.575 3.461 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.889 -3.765 2.897 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.224 2.082 5.971 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.821 0.882 6.318 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.273 0.925 7.688 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.954 2.144 8.173 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.301 2.868 7.108 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.965 -0.200 8.400 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.210 2.687 9.549 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.762 1.759 10.675 1.00 1.00 C HETATM 1167 ND HEC A 201 0.749 4.528 4.841 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.753 4.904 6.173 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.438 6.165 6.335 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.848 6.554 5.110 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.421 5.538 4.176 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.634 6.874 7.644 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.606 7.796 4.740 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.121 7.654 4.847 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.551 7.446 6.292 1.00 1.00 C HETATM 1176 O1D HEC A 201 4.717 8.472 6.988 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.706 6.266 6.674 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.663 7.101 8.084 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.200 6.235 8.323 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.182 7.801 7.477 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.890 -0.447 7.878 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.314 -1.074 8.418 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.194 0.102 9.422 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.541 -0.995 -0.135 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.106 -1.633 0.080 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.288 -2.537 0.716 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.088 3.823 -1.987 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.769 3.240 -1.995 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.444 2.127 -1.583 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.454 6.812 4.240 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.602 8.546 4.446 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.295 0.811 10.599 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.310 1.580 10.594 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.981 2.222 11.637 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.894 -3.719 1.808 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.139 -3.735 3.257 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.361 -4.692 3.223 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.773 5.423 0.327 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.694 6.403 -1.124 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.349 8.075 3.718 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.282 8.613 5.385 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.531 5.824 -1.329 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.190 6.787 0.095 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.111 4.671 8.190 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.332 -1.185 5.799 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.169 0.890 -0.073 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.157 6.459 2.386 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.526 6.200 7.206 1.00 1.00 H new HETATM 0 H2A HEC A 201 3.121 9.253 0.243 1.00 1.00 H new