USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Single : A 33 THR OG1 : rot 79:sc= 0.886 USER MOD Single : A 34 HIS :FLIP no HE2:sc= -0.1 F(o=-0.83,f=-0.1) USER MOD Single : A 41 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.8!) USER MOD Single : A 44 ASN : amide:sc= -8.67! C(o=-8.7!,f=-14!) USER MOD Single : A 45 THR OG1 : rot 160:sc= -0.0377 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -1.66! C(o=-3.6!,f=-1.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 64 THR OG1 : rot 147:sc= -1.75! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0799 X(o=-0.08,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= -0.519 (180deg=-2.04!) USER MOD Single : A 94 LYS NZ :NH3+ -125:sc= -2.39 (180deg=-4.14!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 73:sc= 1.98 USER MOD Single : A 201 HEC O2A : rot 180:sc= -0.617 USER MOD Single : A 201 HEC O2D : rot -158:sc= 0.894 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -10.789 -7.620 -6.814 1.00 1.00 N ATOM 2 CA ALA A 25 -11.455 -8.821 -6.341 1.00 1.00 C ATOM 3 C ALA A 25 -10.413 -9.786 -5.771 1.00 1.00 C ATOM 4 O ALA A 25 -9.747 -10.500 -6.520 1.00 1.00 O ATOM 5 CB ALA A 25 -12.260 -9.442 -7.485 1.00 1.00 C ATOM 0 HA ALA A 25 -12.156 -8.582 -5.541 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.760 -10.343 -7.131 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.005 -8.728 -7.835 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.589 -9.698 -8.305 1.00 1.00 H new ATOM 11 N GLY A 26 -10.305 -9.777 -4.451 1.00 1.00 N ATOM 12 CA GLY A 26 -9.355 -10.642 -3.772 1.00 1.00 C ATOM 13 C GLY A 26 -8.330 -9.821 -2.986 1.00 1.00 C ATOM 14 O GLY A 26 -8.441 -9.685 -1.768 1.00 1.00 O ATOM 0 H GLY A 26 -10.860 -9.184 -3.833 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -9.886 -11.311 -3.095 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -8.842 -11.268 -4.502 1.00 1.00 H new ATOM 18 N GLY A 27 -7.356 -9.296 -3.714 1.00 1.00 N ATOM 19 CA GLY A 27 -6.312 -8.493 -3.101 1.00 1.00 C ATOM 20 C GLY A 27 -6.912 -7.371 -2.251 1.00 1.00 C ATOM 21 O GLY A 27 -6.281 -6.897 -1.307 1.00 1.00 O ATOM 0 H GLY A 27 -7.268 -9.411 -4.724 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -5.679 -9.126 -2.480 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -5.674 -8.066 -3.875 1.00 1.00 H new ATOM 25 N GLY A 28 -8.124 -6.979 -2.615 1.00 1.00 N ATOM 26 CA GLY A 28 -8.816 -5.922 -1.898 1.00 1.00 C ATOM 27 C GLY A 28 -9.248 -6.394 -0.508 1.00 1.00 C ATOM 28 O GLY A 28 -9.029 -5.700 0.483 1.00 1.00 O ATOM 0 H GLY A 28 -8.645 -7.375 -3.398 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.164 -5.054 -1.805 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -9.690 -5.604 -2.466 1.00 1.00 H new ATOM 32 N GLU A 29 -9.854 -7.572 -0.480 1.00 1.00 N ATOM 33 CA GLU A 29 -10.318 -8.145 0.772 1.00 1.00 C ATOM 34 C GLU A 29 -9.196 -8.129 1.811 1.00 1.00 C ATOM 35 O GLU A 29 -9.458 -8.078 3.012 1.00 1.00 O ATOM 36 CB GLU A 29 -10.850 -9.564 0.561 1.00 1.00 C ATOM 37 CG GLU A 29 -11.449 -10.123 1.854 1.00 1.00 C ATOM 38 CD GLU A 29 -12.844 -9.547 2.105 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.153 -8.442 1.635 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.621 -10.291 2.817 1.00 1.00 O ATOM 0 H GLU A 29 -10.034 -8.145 -1.304 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.141 -7.535 1.145 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.608 -9.559 -0.223 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.043 -10.212 0.220 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.506 -11.210 1.793 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.797 -9.885 2.694 1.00 1.00 H new ATOM 48 N LEU A 30 -7.970 -8.173 1.312 1.00 1.00 N ATOM 49 CA LEU A 30 -6.806 -8.164 2.183 1.00 1.00 C ATOM 50 C LEU A 30 -6.495 -6.724 2.595 1.00 1.00 C ATOM 51 O LEU A 30 -6.149 -6.465 3.747 1.00 1.00 O ATOM 52 CB LEU A 30 -5.631 -8.881 1.515 1.00 1.00 C ATOM 53 CG LEU A 30 -5.883 -10.329 1.091 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.564 -11.061 0.831 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.749 -11.059 2.120 1.00 1.00 C ATOM 0 H LEU A 30 -7.757 -8.215 0.315 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.010 -8.721 3.098 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.337 -8.311 0.634 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.784 -8.866 2.201 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.437 -10.319 0.152 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.771 -12.088 0.531 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.017 -10.554 0.036 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.963 -11.063 1.741 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.913 -12.086 1.794 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.243 -11.061 3.086 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.709 -10.551 2.214 1.00 1.00 H new ATOM 67 N PHE A 31 -6.628 -5.824 1.632 1.00 1.00 N ATOM 68 CA PHE A 31 -6.365 -4.417 1.880 1.00 1.00 C ATOM 69 C PHE A 31 -7.439 -3.809 2.784 1.00 1.00 C ATOM 70 O PHE A 31 -7.198 -2.806 3.453 1.00 1.00 O ATOM 71 CB PHE A 31 -6.397 -3.710 0.524 1.00 1.00 C ATOM 72 CG PHE A 31 -6.411 -2.183 0.618 1.00 1.00 C ATOM 73 CD1 PHE A 31 -7.515 -1.541 1.088 1.00 1.00 C ATOM 74 CD2 PHE A 31 -5.321 -1.467 0.233 1.00 1.00 C ATOM 75 CE1 PHE A 31 -7.528 -0.124 1.176 1.00 1.00 C ATOM 76 CE2 PHE A 31 -5.335 -0.050 0.321 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.438 0.592 0.790 1.00 1.00 C ATOM 0 H PHE A 31 -6.915 -6.042 0.678 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.402 -4.301 2.377 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.528 -4.020 -0.056 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.280 -4.038 -0.024 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -8.381 -2.109 1.394 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -4.445 -1.976 -0.140 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -8.404 0.386 1.550 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -4.469 0.518 0.015 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.449 1.670 0.856 1.00 1.00 H new ATOM 87 N ALA A 32 -8.603 -4.443 2.775 1.00 1.00 N ATOM 88 CA ALA A 32 -9.715 -3.978 3.586 1.00 1.00 C ATOM 89 C ALA A 32 -9.692 -4.697 4.936 1.00 1.00 C ATOM 90 O ALA A 32 -10.726 -5.165 5.412 1.00 1.00 O ATOM 91 CB ALA A 32 -11.026 -4.199 2.830 1.00 1.00 C ATOM 0 H ALA A 32 -8.800 -5.275 2.219 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.627 -2.909 3.780 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.860 -3.850 3.439 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -11.003 -3.643 1.892 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.150 -5.261 2.619 1.00 1.00 H new ATOM 97 N THR A 33 -8.502 -4.763 5.516 1.00 1.00 N ATOM 98 CA THR A 33 -8.332 -5.418 6.801 1.00 1.00 C ATOM 99 C THR A 33 -6.926 -5.161 7.348 1.00 1.00 C ATOM 100 O THR A 33 -6.752 -4.945 8.546 1.00 1.00 O ATOM 101 CB THR A 33 -8.652 -6.903 6.622 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.059 -6.983 6.835 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.058 -7.769 7.735 1.00 1.00 C ATOM 0 H THR A 33 -7.647 -4.374 5.119 1.00 1.00 H new ATOM 0 HA THR A 33 -9.016 -5.011 7.546 1.00 1.00 H new ATOM 0 HB THR A 33 -8.274 -7.242 5.657 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.529 -6.689 6.027 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.315 -8.814 7.560 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.974 -7.658 7.743 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.462 -7.453 8.697 1.00 1.00 H new ATOM 111 N HIS A 34 -5.959 -5.194 6.443 1.00 1.00 N ATOM 112 CA HIS A 34 -4.574 -4.968 6.819 1.00 1.00 C ATOM 113 C HIS A 34 -4.155 -3.555 6.409 1.00 1.00 C ATOM 114 O HIS A 34 -3.044 -3.121 6.710 1.00 1.00 O ATOM 115 CB HIS A 34 -3.667 -6.050 6.230 1.00 1.00 C ATOM 116 CG HIS A 34 -4.102 -7.460 6.554 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.810 -8.365 5.819 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -3.810 -8.076 7.758 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -4.942 -9.475 6.535 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.324 -9.297 7.738 1.00 1.00 N flip ATOM 0 H HIS A 34 -6.107 -5.374 5.450 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.471 -5.040 7.902 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.633 -5.931 5.147 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.653 -5.900 6.599 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.176 -8.214 4.879 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.257 -7.636 8.575 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.454 -10.371 6.217 1.00 1.00 H new ATOM 128 N CYS A 35 -5.066 -2.876 5.728 1.00 1.00 N ATOM 129 CA CYS A 35 -4.805 -1.521 5.274 1.00 1.00 C ATOM 130 C CYS A 35 -6.003 -0.648 5.653 1.00 1.00 C ATOM 131 O CYS A 35 -5.834 0.443 6.194 1.00 1.00 O ATOM 132 CB CYS A 35 -4.517 -1.474 3.772 1.00 1.00 C ATOM 133 SG CYS A 35 -3.492 -2.853 3.143 1.00 1.00 S ATOM 0 H CYS A 35 -5.986 -3.239 5.480 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.909 -1.137 5.762 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.465 -1.470 3.235 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -4.016 -0.534 3.542 1.00 1.00 H new ATOM 138 N ALA A 36 -7.187 -1.161 5.353 1.00 1.00 N ATOM 139 CA ALA A 36 -8.413 -0.442 5.656 1.00 1.00 C ATOM 140 C ALA A 36 -8.271 0.250 7.013 1.00 1.00 C ATOM 141 O ALA A 36 -8.787 1.349 7.210 1.00 1.00 O ATOM 142 CB ALA A 36 -9.597 -1.411 5.616 1.00 1.00 C ATOM 0 H ALA A 36 -7.324 -2.066 4.903 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.599 0.331 4.910 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.516 -0.872 5.843 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.672 -1.853 4.623 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.447 -2.199 6.354 1.00 1.00 H new ATOM 148 N GLY A 37 -7.570 -0.422 7.913 1.00 1.00 N ATOM 149 CA GLY A 37 -7.354 0.115 9.246 1.00 1.00 C ATOM 150 C GLY A 37 -6.201 1.120 9.252 1.00 1.00 C ATOM 151 O GLY A 37 -5.319 1.054 10.107 1.00 1.00 O ATOM 0 H GLY A 37 -7.144 -1.334 7.746 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.265 0.599 9.599 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -7.136 -0.698 9.939 1.00 1.00 H new ATOM 155 N CYS A 38 -6.245 2.029 8.289 1.00 1.00 N ATOM 156 CA CYS A 38 -5.215 3.047 8.172 1.00 1.00 C ATOM 157 C CYS A 38 -5.379 3.744 6.820 1.00 1.00 C ATOM 158 O CYS A 38 -5.077 4.929 6.688 1.00 1.00 O ATOM 159 CB CYS A 38 -3.813 2.456 8.343 1.00 1.00 C ATOM 160 SG CYS A 38 -3.112 2.965 9.954 1.00 1.00 S ATOM 0 H CYS A 38 -6.978 2.082 7.582 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.330 3.778 8.973 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.858 1.369 8.284 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.166 2.793 7.533 1.00 1.00 H new ATOM 165 N HIS A 39 -5.857 2.979 5.850 1.00 1.00 N ATOM 166 CA HIS A 39 -6.065 3.508 4.513 1.00 1.00 C ATOM 167 C HIS A 39 -7.554 3.452 4.165 1.00 1.00 C ATOM 168 O HIS A 39 -7.978 2.799 3.214 1.00 1.00 O ATOM 169 CB HIS A 39 -5.191 2.773 3.495 1.00 1.00 C ATOM 170 CG HIS A 39 -3.730 3.152 3.553 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.270 4.415 3.223 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.634 2.423 3.908 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.954 4.433 3.374 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.561 3.197 3.798 1.00 1.00 N ATOM 0 H HIS A 39 -6.106 1.996 5.963 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.758 4.553 4.480 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.284 1.699 3.659 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.569 2.976 2.493 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.846 5.199 2.916 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.638 1.391 4.225 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.306 5.278 3.193 1.00 1.00 H new ATOM 182 N PRO A 40 -8.349 4.163 4.969 1.00 1.00 N ATOM 183 CA PRO A 40 -9.785 4.254 4.823 1.00 1.00 C ATOM 184 C PRO A 40 -10.123 5.140 3.633 1.00 1.00 C ATOM 185 O PRO A 40 -9.756 6.314 3.643 1.00 1.00 O ATOM 186 CB PRO A 40 -10.272 4.881 6.128 1.00 1.00 C ATOM 187 CG PRO A 40 -9.052 5.860 6.450 1.00 1.00 C ATOM 188 CD PRO A 40 -7.883 4.943 6.095 1.00 1.00 C ATOM 0 HA PRO A 40 -10.255 3.287 4.643 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.213 5.417 6.005 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.427 4.140 6.912 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.072 6.765 5.843 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -9.034 6.175 7.493 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.994 5.518 5.836 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.614 4.302 6.935 1.00 1.00 H new ATOM 196 N GLN A 41 -10.802 4.574 2.645 1.00 1.00 N ATOM 197 CA GLN A 41 -11.173 5.332 1.462 1.00 1.00 C ATOM 198 C GLN A 41 -9.942 6.010 0.859 1.00 1.00 C ATOM 199 O GLN A 41 -9.924 7.228 0.683 1.00 1.00 O ATOM 200 CB GLN A 41 -12.261 6.358 1.787 1.00 1.00 C ATOM 201 CG GLN A 41 -13.641 5.844 1.371 1.00 1.00 C ATOM 202 CD GLN A 41 -14.664 6.057 2.489 1.00 1.00 C ATOM 203 OE1 GLN A 41 -14.328 6.308 3.634 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.929 5.942 2.092 1.00 1.00 N ATOM 0 H GLN A 41 -11.105 3.600 2.640 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.581 4.641 0.724 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.256 6.573 2.856 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -12.048 7.295 1.273 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.969 6.361 0.469 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.580 4.784 1.126 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -16.140 5.730 1.117 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -16.687 6.066 2.763 1.00 1.00 H new ATOM 213 N GLY A 42 -8.943 5.194 0.558 1.00 1.00 N ATOM 214 CA GLY A 42 -7.711 5.700 -0.022 1.00 1.00 C ATOM 215 C GLY A 42 -7.251 6.972 0.693 1.00 1.00 C ATOM 216 O GLY A 42 -6.640 7.846 0.080 1.00 1.00 O ATOM 0 H GLY A 42 -8.962 4.185 0.705 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.934 4.939 0.046 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.862 5.908 -1.081 1.00 1.00 H new ATOM 220 N GLY A 43 -7.561 7.035 1.979 1.00 1.00 N ATOM 221 CA GLY A 43 -7.187 8.186 2.784 1.00 1.00 C ATOM 222 C GLY A 43 -6.032 7.843 3.728 1.00 1.00 C ATOM 223 O GLY A 43 -5.201 6.993 3.414 1.00 1.00 O ATOM 0 H GLY A 43 -8.067 6.308 2.484 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.897 9.011 2.133 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.046 8.524 3.363 1.00 1.00 H new ATOM 227 N ASN A 44 -6.019 8.522 4.865 1.00 1.00 N ATOM 228 CA ASN A 44 -4.980 8.300 5.857 1.00 1.00 C ATOM 229 C ASN A 44 -5.487 8.750 7.229 1.00 1.00 C ATOM 230 O ASN A 44 -6.225 9.728 7.332 1.00 1.00 O ATOM 231 CB ASN A 44 -3.724 9.108 5.529 1.00 1.00 C ATOM 232 CG ASN A 44 -3.070 8.608 4.239 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.595 8.759 3.148 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.900 8.004 4.425 1.00 1.00 N ATOM 0 H ASN A 44 -6.711 9.226 5.122 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.735 7.238 5.857 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.982 10.162 5.425 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.014 9.034 6.353 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.385 7.633 3.627 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.518 7.912 5.366 1.00 1.00 H new ATOM 241 N THR A 45 -5.071 8.013 8.249 1.00 1.00 N ATOM 242 CA THR A 45 -5.473 8.323 9.610 1.00 1.00 C ATOM 243 C THR A 45 -4.267 8.784 10.430 1.00 1.00 C ATOM 244 O THR A 45 -4.410 9.166 11.591 1.00 1.00 O ATOM 245 CB THR A 45 -6.167 7.090 10.191 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.213 6.045 10.028 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.361 6.639 9.347 1.00 1.00 C ATOM 0 H THR A 45 -4.459 7.202 8.160 1.00 1.00 H new ATOM 0 HA THR A 45 -6.179 9.153 9.634 1.00 1.00 H new ATOM 0 HB THR A 45 -6.500 7.306 11.206 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.425 5.310 10.641 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.818 5.761 9.803 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.094 7.444 9.295 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.022 6.391 8.341 1.00 1.00 H new ATOM 255 N VAL A 46 -3.105 8.733 9.795 1.00 1.00 N ATOM 256 CA VAL A 46 -1.875 9.141 10.452 1.00 1.00 C ATOM 257 C VAL A 46 -1.363 10.432 9.811 1.00 1.00 C ATOM 258 O VAL A 46 -1.145 11.428 10.500 1.00 1.00 O ATOM 259 CB VAL A 46 -0.853 8.003 10.402 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.476 8.432 11.028 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.399 6.746 11.082 1.00 1.00 C ATOM 0 H VAL A 46 -2.990 8.415 8.833 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.057 9.351 11.506 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.668 7.764 9.355 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.185 7.605 10.980 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.877 9.286 10.482 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.314 8.711 12.069 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.653 5.953 11.033 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.626 6.966 12.125 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.307 6.423 10.573 1.00 1.00 H new ATOM 271 N HIS A 47 -1.186 10.374 8.499 1.00 1.00 N ATOM 272 CA HIS A 47 -0.704 11.527 7.757 1.00 1.00 C ATOM 273 C HIS A 47 -1.781 11.993 6.776 1.00 1.00 C ATOM 274 O HIS A 47 -2.151 11.297 5.834 1.00 1.00 O ATOM 275 CB HIS A 47 0.627 11.213 7.071 1.00 1.00 C ATOM 276 CG HIS A 47 1.775 10.996 8.027 1.00 1.00 C ATOM 277 ND1 HIS A 47 1.826 11.059 9.389 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.053 10.673 7.604 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.066 10.788 9.776 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 3.828 10.549 8.671 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.368 9.547 7.931 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.507 12.350 8.444 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.506 10.321 6.457 1.00 1.00 H new ATOM 0 HB3 HIS A 47 0.879 12.032 6.397 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.365 10.544 6.578 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.414 10.761 10.798 1.00 1.00 H new ATOM 0 HE2 HIS A 47 4.821 10.316 8.667 1.00 1.00 H new ATOM 288 N PRO A 48 -2.283 13.205 7.024 1.00 1.00 N ATOM 289 CA PRO A 48 -3.308 13.843 6.225 1.00 1.00 C ATOM 290 C PRO A 48 -2.663 14.576 5.058 1.00 1.00 C ATOM 291 O PRO A 48 -3.320 15.420 4.451 1.00 1.00 O ATOM 292 CB PRO A 48 -3.992 14.823 7.176 1.00 1.00 C ATOM 293 CG PRO A 48 -2.805 15.257 8.064 1.00 1.00 C ATOM 294 CD PRO A 48 -1.871 14.051 8.123 1.00 1.00 C ATOM 0 HA PRO A 48 -4.019 13.134 5.801 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.440 15.665 6.648 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.786 14.350 7.753 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.298 16.125 7.643 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -3.144 15.539 9.061 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.829 14.353 8.019 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.958 13.530 9.077 1.00 1.00 H new ATOM 302 N GLU A 49 -1.412 14.248 4.769 1.00 1.00 N ATOM 303 CA GLU A 49 -0.704 14.890 3.674 1.00 1.00 C ATOM 304 C GLU A 49 -0.060 13.838 2.769 1.00 1.00 C ATOM 305 O GLU A 49 0.653 14.177 1.826 1.00 1.00 O ATOM 306 CB GLU A 49 0.341 15.875 4.200 1.00 1.00 C ATOM 307 CG GLU A 49 1.385 15.160 5.060 1.00 1.00 C ATOM 308 CD GLU A 49 2.722 15.904 5.032 1.00 1.00 C ATOM 309 OE1 GLU A 49 3.086 16.485 3.999 1.00 1.00 O ATOM 310 OE2 GLU A 49 3.391 15.865 6.135 1.00 1.00 O ATOM 0 H GLU A 49 -0.871 13.546 5.274 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.424 15.456 3.084 1.00 1.00 H new ATOM 0 HB2 GLU A 49 0.832 16.371 3.363 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -0.149 16.651 4.787 1.00 1.00 H new ATOM 0 HG2 GLU A 49 1.027 15.087 6.087 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.524 14.141 4.698 1.00 1.00 H new ATOM 318 N LYS A 50 -0.334 12.581 3.089 1.00 1.00 N ATOM 319 CA LYS A 50 0.210 11.477 2.316 1.00 1.00 C ATOM 320 C LYS A 50 -0.920 10.513 1.948 1.00 1.00 C ATOM 321 O LYS A 50 -1.231 9.596 2.707 1.00 1.00 O ATOM 322 CB LYS A 50 1.363 10.813 3.070 1.00 1.00 C ATOM 323 CG LYS A 50 2.268 11.861 3.722 1.00 1.00 C ATOM 324 CD LYS A 50 3.744 11.521 3.507 1.00 1.00 C ATOM 325 CE LYS A 50 4.492 12.698 2.879 1.00 1.00 C ATOM 326 NZ LYS A 50 5.930 12.378 2.729 1.00 1.00 N ATOM 0 H LYS A 50 -0.925 12.303 3.872 1.00 1.00 H new ATOM 0 HA LYS A 50 0.638 11.840 1.381 1.00 1.00 H new ATOM 0 HB2 LYS A 50 0.966 10.145 3.834 1.00 1.00 H new ATOM 0 HB3 LYS A 50 1.947 10.200 2.383 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.053 12.844 3.303 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.056 11.916 4.790 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.203 11.261 4.461 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.829 10.646 2.863 1.00 1.00 H new ATOM 0 HE2 LYS A 50 4.062 12.932 1.905 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.374 13.585 3.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 6.423 13.188 2.301 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.340 12.177 3.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 6.038 11.544 2.117 1.00 1.00 H new ATOM 339 N THR A 51 -1.503 10.753 0.783 1.00 1.00 N ATOM 340 CA THR A 51 -2.591 9.918 0.304 1.00 1.00 C ATOM 341 C THR A 51 -2.084 8.936 -0.754 1.00 1.00 C ATOM 342 O THR A 51 -0.886 8.872 -1.023 1.00 1.00 O ATOM 343 CB THR A 51 -3.705 10.836 -0.203 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.172 11.399 -1.399 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.929 12.044 0.709 1.00 1.00 C ATOM 0 H THR A 51 -1.242 11.514 0.156 1.00 1.00 H new ATOM 0 HA THR A 51 -2.998 9.302 1.106 1.00 1.00 H new ATOM 0 HB THR A 51 -4.632 10.269 -0.289 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.830 12.007 -1.796 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.730 12.662 0.304 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.205 11.701 1.706 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.012 12.630 0.768 1.00 1.00 H new ATOM 353 N LEU A 52 -3.022 8.195 -1.325 1.00 1.00 N ATOM 354 CA LEU A 52 -2.686 7.219 -2.348 1.00 1.00 C ATOM 355 C LEU A 52 -2.829 7.863 -3.728 1.00 1.00 C ATOM 356 O LEU A 52 -2.950 7.164 -4.733 1.00 1.00 O ATOM 357 CB LEU A 52 -3.520 5.949 -2.172 1.00 1.00 C ATOM 358 CG LEU A 52 -3.305 5.181 -0.866 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.214 3.952 -0.797 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.831 4.814 -0.682 1.00 1.00 C ATOM 0 H LEU A 52 -4.015 8.251 -1.099 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.647 6.906 -2.249 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.574 6.218 -2.243 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.305 5.279 -3.004 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.581 5.833 -0.037 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.041 3.424 0.141 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.256 4.267 -0.850 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -3.993 3.288 -1.633 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.706 4.269 0.254 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.505 4.188 -1.513 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.230 5.723 -0.655 1.00 1.00 H new ATOM 372 N ALA A 53 -2.812 9.188 -3.733 1.00 1.00 N ATOM 373 CA ALA A 53 -2.939 9.934 -4.973 1.00 1.00 C ATOM 374 C ALA A 53 -1.652 9.784 -5.787 1.00 1.00 C ATOM 375 O ALA A 53 -0.557 9.995 -5.269 1.00 1.00 O ATOM 376 CB ALA A 53 -3.263 11.395 -4.659 1.00 1.00 C ATOM 0 H ALA A 53 -2.712 9.764 -2.897 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.758 9.541 -5.575 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.358 11.955 -5.589 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.200 11.449 -4.106 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.462 11.824 -4.058 1.00 1.00 H new ATOM 382 N ARG A 54 -1.827 9.420 -7.049 1.00 1.00 N ATOM 383 CA ARG A 54 -0.694 9.239 -7.940 1.00 1.00 C ATOM 384 C ARG A 54 0.179 10.496 -7.951 1.00 1.00 C ATOM 385 O ARG A 54 1.405 10.405 -7.945 1.00 1.00 O ATOM 386 CB ARG A 54 -1.157 8.936 -9.366 1.00 1.00 C ATOM 387 CG ARG A 54 0.036 8.657 -10.283 1.00 1.00 C ATOM 388 CD ARG A 54 -0.289 9.024 -11.732 1.00 1.00 C ATOM 389 NE ARG A 54 -0.036 7.864 -12.616 1.00 1.00 N ATOM 390 CZ ARG A 54 -0.543 7.736 -13.861 1.00 1.00 C ATOM 391 NH1 ARG A 54 -0.252 6.657 -14.563 1.00 1.00 N ATOM 392 NH2 ARG A 54 -1.336 8.697 -14.380 1.00 1.00 N ATOM 0 H ARG A 54 -2.737 9.246 -7.476 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.114 8.393 -7.571 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.825 8.074 -9.360 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.728 9.779 -9.753 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.901 9.228 -9.945 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.307 7.603 -10.223 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -1.331 9.333 -11.813 1.00 1.00 H new ATOM 0 HD3 ARG A 54 0.320 9.871 -12.047 1.00 1.00 H new ATOM 0 HE ARG A 54 0.559 7.114 -12.263 1.00 1.00 H new ATOM 0 HH11 ARG A 54 0.348 5.935 -14.164 1.00 1.00 H new ATOM 0 HH12 ARG A 54 -0.627 6.545 -15.505 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -1.556 9.528 -13.831 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -1.715 8.592 -15.321 1.00 1.00 H new ATOM 402 N ALA A 55 -0.489 11.641 -7.966 1.00 1.00 N ATOM 403 CA ALA A 55 0.210 12.914 -7.977 1.00 1.00 C ATOM 404 C ALA A 55 1.364 12.867 -6.973 1.00 1.00 C ATOM 405 O ALA A 55 2.456 13.359 -7.254 1.00 1.00 O ATOM 406 CB ALA A 55 -0.779 14.042 -7.676 1.00 1.00 C ATOM 0 H ALA A 55 -1.506 11.713 -7.971 1.00 1.00 H new ATOM 0 HA ALA A 55 0.637 13.108 -8.961 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.255 14.998 -7.684 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.562 14.051 -8.434 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.226 13.882 -6.695 1.00 1.00 H new ATOM 412 N ARG A 56 1.082 12.271 -5.824 1.00 1.00 N ATOM 413 CA ARG A 56 2.083 12.153 -4.777 1.00 1.00 C ATOM 414 C ARG A 56 2.937 10.903 -4.997 1.00 1.00 C ATOM 415 O ARG A 56 4.160 10.953 -4.875 1.00 1.00 O ATOM 416 CB ARG A 56 1.429 12.079 -3.396 1.00 1.00 C ATOM 417 CG ARG A 56 1.010 13.469 -2.912 1.00 1.00 C ATOM 418 CD ARG A 56 2.225 14.280 -2.459 1.00 1.00 C ATOM 419 NE ARG A 56 1.843 15.697 -2.263 1.00 1.00 N ATOM 420 CZ ARG A 56 1.490 16.531 -3.264 1.00 1.00 C ATOM 421 NH1 ARG A 56 1.167 17.778 -2.975 1.00 1.00 N ATOM 422 NH2 ARG A 56 1.467 16.096 -4.542 1.00 1.00 N ATOM 0 H ARG A 56 0.175 11.865 -5.595 1.00 1.00 H new ATOM 0 HA ARG A 56 2.714 13.040 -4.821 1.00 1.00 H new ATOM 0 HB2 ARG A 56 0.557 11.426 -3.437 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.125 11.636 -2.683 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.494 13.997 -3.714 1.00 1.00 H new ATOM 0 HG3 ARG A 56 0.304 13.373 -2.087 1.00 1.00 H new ATOM 0 HD2 ARG A 56 2.621 13.870 -1.530 1.00 1.00 H new ATOM 0 HD3 ARG A 56 3.019 14.208 -3.203 1.00 1.00 H new ATOM 0 HE ARG A 56 1.847 16.066 -1.312 1.00 1.00 H new ATOM 0 HH11 ARG A 56 1.186 18.099 -2.007 1.00 1.00 H new ATOM 0 HH12 ARG A 56 0.898 18.421 -3.720 1.00 1.00 H new ATOM 0 HH21 ARG A 56 1.717 15.131 -4.757 1.00 1.00 H new ATOM 0 HH22 ARG A 56 1.199 16.733 -5.293 1.00 1.00 H new ATOM 432 N ARG A 57 2.259 9.811 -5.318 1.00 1.00 N ATOM 433 CA ARG A 57 2.940 8.550 -5.557 1.00 1.00 C ATOM 434 C ARG A 57 3.954 8.700 -6.693 1.00 1.00 C ATOM 435 O ARG A 57 4.864 7.885 -6.829 1.00 1.00 O ATOM 436 CB ARG A 57 1.944 7.445 -5.915 1.00 1.00 C ATOM 437 CG ARG A 57 1.996 6.307 -4.892 1.00 1.00 C ATOM 438 CD ARG A 57 0.791 6.361 -3.950 1.00 1.00 C ATOM 439 NE ARG A 57 0.608 7.739 -3.442 1.00 1.00 N ATOM 440 CZ ARG A 57 1.454 8.349 -2.585 1.00 1.00 C ATOM 441 NH1 ARG A 57 1.192 9.583 -2.196 1.00 1.00 N ATOM 442 NH2 ARG A 57 2.551 7.707 -2.132 1.00 1.00 N ATOM 0 H ARG A 57 1.245 9.773 -5.418 1.00 1.00 H new ATOM 0 HA ARG A 57 3.457 8.274 -4.638 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.936 7.858 -5.954 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.168 7.056 -6.908 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.015 5.348 -5.410 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.918 6.375 -4.314 1.00 1.00 H new ATOM 0 HD2 ARG A 57 -0.107 6.036 -4.476 1.00 1.00 H new ATOM 0 HD3 ARG A 57 0.939 5.674 -3.117 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.209 8.261 -3.759 1.00 1.00 H new ATOM 0 HH11 ARG A 57 0.360 10.061 -2.543 1.00 1.00 H new ATOM 0 HH12 ARG A 57 1.821 10.058 -1.549 1.00 1.00 H new ATOM 0 HH21 ARG A 57 2.746 6.753 -2.437 1.00 1.00 H new ATOM 0 HH22 ARG A 57 3.185 8.175 -1.485 1.00 1.00 H new ATOM 452 N GLU A 58 3.762 9.749 -7.479 1.00 1.00 N ATOM 453 CA GLU A 58 4.648 10.017 -8.599 1.00 1.00 C ATOM 454 C GLU A 58 5.934 10.686 -8.109 1.00 1.00 C ATOM 455 O GLU A 58 7.032 10.282 -8.490 1.00 1.00 O ATOM 456 CB GLU A 58 3.952 10.876 -9.656 1.00 1.00 C ATOM 457 CG GLU A 58 4.375 12.342 -9.538 1.00 1.00 C ATOM 458 CD GLU A 58 3.720 13.191 -10.628 1.00 1.00 C ATOM 459 OE1 GLU A 58 2.490 13.351 -10.635 1.00 1.00 O ATOM 460 OE2 GLU A 58 4.536 13.696 -11.490 1.00 1.00 O ATOM 0 H GLU A 58 3.006 10.424 -7.362 1.00 1.00 H new ATOM 0 HA GLU A 58 4.910 9.067 -9.065 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.195 10.503 -10.651 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.871 10.795 -9.541 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.097 12.726 -8.557 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.460 12.419 -9.615 1.00 1.00 H new ATOM 468 N ALA A 59 5.756 11.698 -7.273 1.00 1.00 N ATOM 469 CA ALA A 59 6.889 12.426 -6.727 1.00 1.00 C ATOM 470 C ALA A 59 7.930 11.431 -6.214 1.00 1.00 C ATOM 471 O ALA A 59 9.108 11.528 -6.555 1.00 1.00 O ATOM 472 CB ALA A 59 6.404 13.379 -5.633 1.00 1.00 C ATOM 0 H ALA A 59 4.844 12.031 -6.960 1.00 1.00 H new ATOM 0 HA ALA A 59 7.364 13.031 -7.499 1.00 1.00 H new ATOM 0 HB1 ALA A 59 7.254 13.925 -5.223 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.689 14.085 -6.056 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.923 12.807 -4.839 1.00 1.00 H new ATOM 478 N ASN A 60 7.459 10.495 -5.402 1.00 1.00 N ATOM 479 CA ASN A 60 8.335 9.483 -4.838 1.00 1.00 C ATOM 480 C ASN A 60 8.588 8.394 -5.883 1.00 1.00 C ATOM 481 O ASN A 60 9.647 7.769 -5.888 1.00 1.00 O ATOM 482 CB ASN A 60 7.698 8.824 -3.613 1.00 1.00 C ATOM 483 CG ASN A 60 7.955 9.648 -2.350 1.00 1.00 C ATOM 484 OD1 ASN A 60 7.702 10.946 -2.491 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 8.357 9.140 -1.317 1.00 1.00 N flip ATOM 0 H ASN A 60 6.481 10.417 -5.122 1.00 1.00 H new ATOM 0 HA ASN A 60 9.265 9.968 -4.543 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.625 8.718 -3.770 1.00 1.00 H new ATOM 0 HB3 ASN A 60 8.102 7.820 -3.485 1.00 1.00 H new ATOM 0 HD21 ASN A 60 8.531 8.136 -1.277 1.00 1.00 H new ATOM 0 HD22 ASN A 60 8.519 9.719 -0.493 1.00 1.00 H new ATOM 492 N GLY A 61 7.598 8.202 -6.742 1.00 1.00 N ATOM 493 CA GLY A 61 7.700 7.200 -7.789 1.00 1.00 C ATOM 494 C GLY A 61 7.266 5.825 -7.277 1.00 1.00 C ATOM 495 O GLY A 61 8.101 4.949 -7.054 1.00 1.00 O ATOM 0 H GLY A 61 6.721 8.723 -6.734 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.078 7.489 -8.636 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.727 7.150 -8.150 1.00 1.00 H new ATOM 499 N ILE A 62 5.961 5.678 -7.104 1.00 1.00 N ATOM 500 CA ILE A 62 5.406 4.425 -6.622 1.00 1.00 C ATOM 501 C ILE A 62 4.173 4.065 -7.453 1.00 1.00 C ATOM 502 O ILE A 62 3.084 3.888 -6.910 1.00 1.00 O ATOM 503 CB ILE A 62 5.133 4.503 -5.119 1.00 1.00 C ATOM 504 CG1 ILE A 62 6.435 4.665 -4.333 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.324 3.293 -4.645 1.00 1.00 C ATOM 506 CD1 ILE A 62 6.199 4.469 -2.834 1.00 1.00 C ATOM 0 H ILE A 62 5.271 6.406 -7.289 1.00 1.00 H new ATOM 0 HA ILE A 62 6.125 3.616 -6.750 1.00 1.00 H new ATOM 0 HB ILE A 62 4.529 5.390 -4.927 1.00 1.00 H new ATOM 0 HG12 ILE A 62 7.170 3.942 -4.687 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.851 5.656 -4.513 1.00 1.00 H new ATOM 0 HG21 ILE A 62 4.144 3.373 -3.573 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.370 3.264 -5.172 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.881 2.379 -4.852 1.00 1.00 H new ATOM 0 HD11 ILE A 62 7.141 4.590 -2.299 1.00 1.00 H new ATOM 0 HD12 ILE A 62 5.482 5.209 -2.479 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.806 3.468 -2.655 1.00 1.00 H new ATOM 518 N ARG A 63 4.385 3.967 -8.758 1.00 1.00 N ATOM 519 CA ARG A 63 3.305 3.632 -9.669 1.00 1.00 C ATOM 520 C ARG A 63 3.547 2.257 -10.297 1.00 1.00 C ATOM 521 O ARG A 63 3.623 2.134 -11.518 1.00 1.00 O ATOM 522 CB ARG A 63 3.176 4.676 -10.780 1.00 1.00 C ATOM 523 CG ARG A 63 3.580 6.064 -10.276 1.00 1.00 C ATOM 524 CD ARG A 63 4.971 6.448 -10.784 1.00 1.00 C ATOM 525 NE ARG A 63 4.854 7.266 -12.011 1.00 1.00 N ATOM 526 CZ ARG A 63 5.862 8.000 -12.530 1.00 1.00 C ATOM 527 NH1 ARG A 63 5.646 8.695 -13.632 1.00 1.00 N ATOM 528 NH2 ARG A 63 7.071 8.024 -11.932 1.00 1.00 N ATOM 0 H ARG A 63 5.290 4.114 -9.205 1.00 1.00 H new ATOM 0 HA ARG A 63 2.380 3.615 -9.093 1.00 1.00 H new ATOM 0 HB2 ARG A 63 3.805 4.394 -11.624 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.148 4.701 -11.143 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.851 6.802 -10.609 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.571 6.076 -9.186 1.00 1.00 H new ATOM 0 HD2 ARG A 63 5.507 7.005 -10.015 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.553 5.550 -10.990 1.00 1.00 H new ATOM 0 HE ARG A 63 3.956 7.276 -12.495 1.00 1.00 H new ATOM 0 HH11 ARG A 63 4.729 8.672 -14.078 1.00 1.00 H new ATOM 0 HH12 ARG A 63 6.396 9.255 -14.037 1.00 1.00 H new ATOM 0 HH21 ARG A 63 7.230 7.485 -11.081 1.00 1.00 H new ATOM 0 HH22 ARG A 63 7.826 8.581 -12.331 1.00 1.00 H new ATOM 538 N THR A 64 3.662 1.260 -9.433 1.00 1.00 N ATOM 539 CA THR A 64 3.894 -0.101 -9.887 1.00 1.00 C ATOM 540 C THR A 64 3.336 -1.104 -8.875 1.00 1.00 C ATOM 541 O THR A 64 3.207 -0.791 -7.693 1.00 1.00 O ATOM 542 CB THR A 64 5.394 -0.265 -10.141 1.00 1.00 C ATOM 543 OG1 THR A 64 6.004 0.225 -8.950 1.00 1.00 O ATOM 544 CG2 THR A 64 5.908 0.672 -11.236 1.00 1.00 C ATOM 0 H THR A 64 3.599 1.367 -8.421 1.00 1.00 H new ATOM 0 HA THR A 64 3.367 -0.302 -10.820 1.00 1.00 H new ATOM 0 HB THR A 64 5.604 -1.298 -10.419 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.829 -0.274 -8.776 1.00 1.00 H new ATOM 0 HG21 THR A 64 6.977 0.515 -11.377 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.385 0.463 -12.169 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.728 1.707 -10.943 1.00 1.00 H new ATOM 552 N VAL A 65 3.020 -2.288 -9.377 1.00 1.00 N ATOM 553 CA VAL A 65 2.479 -3.339 -8.532 1.00 1.00 C ATOM 554 C VAL A 65 3.553 -3.796 -7.542 1.00 1.00 C ATOM 555 O VAL A 65 3.356 -3.725 -6.330 1.00 1.00 O ATOM 556 CB VAL A 65 1.939 -4.480 -9.396 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.704 -5.739 -8.559 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.660 -4.059 -10.123 1.00 1.00 C ATOM 0 H VAL A 65 3.128 -2.543 -10.359 1.00 1.00 H new ATOM 0 HA VAL A 65 1.638 -2.964 -7.949 1.00 1.00 H new ATOM 0 HB VAL A 65 2.692 -4.714 -10.149 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.320 -6.534 -9.198 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.644 -6.057 -8.109 1.00 1.00 H new ATOM 0 HG13 VAL A 65 0.980 -5.524 -7.773 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.297 -4.888 -10.730 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -0.100 -3.784 -9.392 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.871 -3.204 -10.765 1.00 1.00 H new ATOM 568 N ARG A 66 4.666 -4.254 -8.096 1.00 1.00 N ATOM 569 CA ARG A 66 5.771 -4.723 -7.278 1.00 1.00 C ATOM 570 C ARG A 66 6.008 -3.765 -6.108 1.00 1.00 C ATOM 571 O ARG A 66 5.867 -4.150 -4.948 1.00 1.00 O ATOM 572 CB ARG A 66 7.056 -4.839 -8.101 1.00 1.00 C ATOM 573 CG ARG A 66 6.947 -5.966 -9.130 1.00 1.00 C ATOM 574 CD ARG A 66 8.261 -6.138 -9.896 1.00 1.00 C ATOM 575 NE ARG A 66 8.146 -7.263 -10.850 1.00 1.00 N ATOM 576 CZ ARG A 66 7.430 -7.215 -11.994 1.00 1.00 C ATOM 577 NH1 ARG A 66 7.398 -8.280 -12.773 1.00 1.00 N ATOM 578 NH2 ARG A 66 6.757 -6.096 -12.335 1.00 1.00 N ATOM 0 H ARG A 66 4.826 -4.310 -9.102 1.00 1.00 H new ATOM 0 HA ARG A 66 5.507 -5.710 -6.898 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.253 -3.895 -8.609 1.00 1.00 H new ATOM 0 HB3 ARG A 66 7.901 -5.027 -7.438 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.690 -6.899 -8.628 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.140 -5.748 -9.829 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.503 -5.220 -10.431 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.077 -6.324 -9.198 1.00 1.00 H new ATOM 0 HE ARG A 66 8.638 -8.129 -10.630 1.00 1.00 H new ATOM 0 HH11 ARG A 66 7.909 -9.122 -12.507 1.00 1.00 H new ATOM 0 HH12 ARG A 66 6.862 -8.261 -13.641 1.00 1.00 H new ATOM 0 HH21 ARG A 66 6.787 -5.278 -11.727 1.00 1.00 H new ATOM 0 HH22 ARG A 66 6.219 -6.069 -13.201 1.00 1.00 H new ATOM 588 N ASP A 67 6.364 -2.537 -6.453 1.00 1.00 N ATOM 589 CA ASP A 67 6.622 -1.521 -5.446 1.00 1.00 C ATOM 590 C ASP A 67 5.647 -1.704 -4.282 1.00 1.00 C ATOM 591 O ASP A 67 6.038 -1.612 -3.120 1.00 1.00 O ATOM 592 CB ASP A 67 6.419 -0.116 -6.017 1.00 1.00 C ATOM 593 CG ASP A 67 7.571 0.404 -6.880 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.042 -0.284 -7.798 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.991 1.584 -6.574 1.00 1.00 O ATOM 0 H ASP A 67 6.480 -2.222 -7.416 1.00 1.00 H new ATOM 0 HA ASP A 67 7.654 -1.630 -5.114 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.507 -0.111 -6.614 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.263 0.577 -5.190 1.00 1.00 H new ATOM 601 N VAL A 68 4.396 -1.961 -4.635 1.00 1.00 N ATOM 602 CA VAL A 68 3.361 -2.158 -3.634 1.00 1.00 C ATOM 603 C VAL A 68 3.387 -3.612 -3.159 1.00 1.00 C ATOM 604 O VAL A 68 2.355 -4.281 -3.141 1.00 1.00 O ATOM 605 CB VAL A 68 2.002 -1.736 -4.196 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.901 -1.897 -3.146 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.049 -0.302 -4.726 1.00 1.00 C ATOM 0 H VAL A 68 4.076 -2.037 -5.600 1.00 1.00 H new ATOM 0 HA VAL A 68 3.547 -1.529 -2.764 1.00 1.00 H new ATOM 0 HB VAL A 68 1.766 -2.394 -5.032 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.055 -1.590 -3.571 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.843 -2.941 -2.837 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.130 -1.275 -2.281 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.070 -0.027 -5.120 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.318 0.376 -3.916 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.792 -0.232 -5.520 1.00 1.00 H new ATOM 617 N ALA A 69 4.577 -4.059 -2.787 1.00 1.00 N ATOM 618 CA ALA A 69 4.751 -5.422 -2.314 1.00 1.00 C ATOM 619 C ALA A 69 6.078 -5.530 -1.561 1.00 1.00 C ATOM 620 O ALA A 69 6.148 -6.163 -0.508 1.00 1.00 O ATOM 621 CB ALA A 69 4.672 -6.387 -3.498 1.00 1.00 C ATOM 0 H ALA A 69 5.431 -3.501 -2.803 1.00 1.00 H new ATOM 0 HA ALA A 69 3.955 -5.692 -1.620 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.803 -7.409 -3.143 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.699 -6.292 -3.981 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.458 -6.149 -4.215 1.00 1.00 H new ATOM 627 N ALA A 70 7.098 -4.904 -2.129 1.00 1.00 N ATOM 628 CA ALA A 70 8.419 -4.922 -1.525 1.00 1.00 C ATOM 629 C ALA A 70 8.436 -3.979 -0.320 1.00 1.00 C ATOM 630 O ALA A 70 8.601 -4.389 0.827 1.00 1.00 O ATOM 631 CB ALA A 70 9.466 -4.546 -2.575 1.00 1.00 C ATOM 0 H ALA A 70 7.036 -4.381 -3.002 1.00 1.00 H new ATOM 0 HA ALA A 70 8.663 -5.921 -1.165 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.457 -4.560 -2.122 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.432 -5.263 -3.395 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.256 -3.547 -2.957 1.00 1.00 H new ATOM 637 N TYR A 71 8.261 -2.688 -0.611 1.00 1.00 N ATOM 638 CA TYR A 71 8.253 -1.668 0.418 1.00 1.00 C ATOM 639 C TYR A 71 7.410 -2.131 1.597 1.00 1.00 C ATOM 640 O TYR A 71 7.922 -2.171 2.715 1.00 1.00 O ATOM 641 CB TYR A 71 7.706 -0.367 -0.162 1.00 1.00 C ATOM 642 CG TYR A 71 8.772 0.665 -0.439 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.551 2.007 -0.105 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.982 0.281 -1.029 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.540 2.964 -0.362 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.971 1.238 -1.286 1.00 1.00 C ATOM 647 CZ TYR A 71 10.750 2.579 -0.952 1.00 1.00 C ATOM 648 OH TYR A 71 11.714 3.512 -1.202 1.00 1.00 O ATOM 0 H TYR A 71 8.123 -2.332 -1.557 1.00 1.00 H new ATOM 0 HA TYR A 71 9.269 -1.494 0.771 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.175 -0.587 -1.088 1.00 1.00 H new ATOM 0 HB3 TYR A 71 6.977 0.052 0.532 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.618 2.304 0.351 1.00 1.00 H new ATOM 0 HD2 TYR A 71 10.153 -0.754 -1.286 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.370 3.999 -0.105 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.904 0.942 -1.742 1.00 1.00 H new ATOM 0 HH TYR A 71 12.491 3.078 -1.613 1.00 1.00 H new ATOM 658 N ILE A 72 6.155 -2.465 1.334 1.00 1.00 N ATOM 659 CA ILE A 72 5.265 -2.920 2.389 1.00 1.00 C ATOM 660 C ILE A 72 6.032 -3.848 3.332 1.00 1.00 C ATOM 661 O ILE A 72 5.809 -3.832 4.542 1.00 1.00 O ATOM 662 CB ILE A 72 4.006 -3.553 1.791 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.361 -4.753 0.910 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.175 -2.514 1.037 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.248 -5.802 0.938 1.00 1.00 C ATOM 0 H ILE A 72 5.733 -2.430 0.406 1.00 1.00 H new ATOM 0 HA ILE A 72 4.917 -2.076 2.985 1.00 1.00 H new ATOM 0 HB ILE A 72 3.390 -3.926 2.609 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.526 -4.420 -0.115 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.294 -5.198 1.255 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.287 -2.990 0.622 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.875 -1.721 1.722 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.770 -2.089 0.228 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.526 -6.644 0.304 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.102 -6.150 1.960 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.322 -5.360 0.570 1.00 1.00 H new ATOM 677 N ARG A 73 6.920 -4.636 2.744 1.00 1.00 N ATOM 678 CA ARG A 73 7.721 -5.569 3.517 1.00 1.00 C ATOM 679 C ARG A 73 8.477 -4.830 4.623 1.00 1.00 C ATOM 680 O ARG A 73 8.186 -5.009 5.805 1.00 1.00 O ATOM 681 CB ARG A 73 8.725 -6.304 2.626 1.00 1.00 C ATOM 682 CG ARG A 73 9.172 -7.617 3.270 1.00 1.00 C ATOM 683 CD ARG A 73 10.345 -7.388 4.225 1.00 1.00 C ATOM 684 NE ARG A 73 11.201 -8.594 4.274 1.00 1.00 N ATOM 685 CZ ARG A 73 12.178 -8.792 5.185 1.00 1.00 C ATOM 686 NH1 ARG A 73 12.882 -9.908 5.135 1.00 1.00 N ATOM 687 NH2 ARG A 73 12.431 -7.864 6.132 1.00 1.00 N ATOM 0 H ARG A 73 7.102 -4.647 1.740 1.00 1.00 H new ATOM 0 HA ARG A 73 7.044 -6.299 3.960 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.274 -6.507 1.655 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.592 -5.668 2.449 1.00 1.00 H new ATOM 0 HG2 ARG A 73 8.338 -8.062 3.813 1.00 1.00 H new ATOM 0 HG3 ARG A 73 9.463 -8.326 2.495 1.00 1.00 H new ATOM 0 HD2 ARG A 73 10.930 -6.530 3.896 1.00 1.00 H new ATOM 0 HD3 ARG A 73 9.972 -7.156 5.223 1.00 1.00 H new ATOM 0 HE ARG A 73 11.043 -9.321 3.576 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.684 -10.604 4.416 1.00 1.00 H new ATOM 0 HH12 ARG A 73 13.624 -10.074 5.815 1.00 1.00 H new ATOM 0 HH21 ARG A 73 11.882 -7.005 6.164 1.00 1.00 H new ATOM 0 HH22 ARG A 73 13.171 -8.022 6.816 1.00 1.00 H new ATOM 697 N ASN A 74 9.433 -4.016 4.200 1.00 1.00 N ATOM 698 CA ASN A 74 10.233 -3.250 5.140 1.00 1.00 C ATOM 699 C ASN A 74 10.141 -1.764 4.788 1.00 1.00 C ATOM 700 O ASN A 74 11.057 -1.168 4.225 1.00 1.00 O ATOM 701 CB ASN A 74 11.705 -3.661 5.074 1.00 1.00 C ATOM 702 CG ASN A 74 12.427 -3.327 6.381 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.318 -2.495 6.433 1.00 1.00 O ATOM 704 ND2 ASN A 74 11.995 -4.020 7.430 1.00 1.00 N ATOM 0 H ASN A 74 9.671 -3.870 3.219 1.00 1.00 H new ATOM 0 HA ASN A 74 9.850 -3.441 6.143 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.779 -4.730 4.877 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.192 -3.149 4.244 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.414 -3.870 8.348 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.245 -4.702 7.317 1.00 1.00 H new ATOM 711 N PRO A 75 8.997 -1.171 5.138 1.00 1.00 N ATOM 712 CA PRO A 75 8.697 0.226 4.904 1.00 1.00 C ATOM 713 C PRO A 75 9.339 1.075 5.991 1.00 1.00 C ATOM 714 O PRO A 75 9.906 0.513 6.927 1.00 1.00 O ATOM 715 CB PRO A 75 7.174 0.314 4.966 1.00 1.00 C ATOM 716 CG PRO A 75 6.786 -0.798 5.870 1.00 1.00 C ATOM 717 CD PRO A 75 7.899 -1.840 5.801 1.00 1.00 C ATOM 0 HA PRO A 75 9.080 0.589 3.950 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.845 1.278 5.355 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.727 0.200 3.978 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.658 -0.438 6.891 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.834 -1.230 5.563 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.186 -2.178 6.797 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.580 -2.722 5.245 1.00 1.00 H new ATOM 725 N GLY A 76 9.242 2.389 5.853 1.00 1.00 N ATOM 726 CA GLY A 76 9.821 3.290 6.835 1.00 1.00 C ATOM 727 C GLY A 76 8.858 3.524 8.000 1.00 1.00 C ATOM 728 O GLY A 76 7.821 2.877 8.130 1.00 1.00 O ATOM 0 H GLY A 76 8.771 2.852 5.076 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.756 2.873 7.210 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.063 4.242 6.362 1.00 1.00 H new ATOM 732 N PRO A 77 9.231 4.477 8.857 1.00 1.00 N ATOM 733 CA PRO A 77 8.472 4.865 10.027 1.00 1.00 C ATOM 734 C PRO A 77 7.103 5.376 9.601 1.00 1.00 C ATOM 735 O PRO A 77 6.969 5.843 8.471 1.00 1.00 O ATOM 736 CB PRO A 77 9.293 5.976 10.677 1.00 1.00 C ATOM 737 CG PRO A 77 10.215 6.482 9.618 1.00 1.00 C ATOM 738 CD PRO A 77 10.443 5.257 8.735 1.00 1.00 C ATOM 0 HA PRO A 77 8.303 4.038 10.716 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.647 6.773 11.045 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.852 5.598 11.533 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.771 7.305 9.058 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.149 6.852 10.041 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.624 5.545 7.700 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.313 4.689 9.065 1.00 1.00 H new ATOM 746 N GLY A 78 6.129 5.281 10.494 1.00 1.00 N ATOM 747 CA GLY A 78 4.784 5.739 10.187 1.00 1.00 C ATOM 748 C GLY A 78 3.903 4.578 9.722 1.00 1.00 C ATOM 749 O GLY A 78 2.707 4.548 10.009 1.00 1.00 O ATOM 0 H GLY A 78 6.244 4.894 11.431 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.344 6.204 11.069 1.00 1.00 H new ATOM 0 HA3 GLY A 78 4.824 6.503 9.411 1.00 1.00 H new ATOM 753 N MET A 79 4.527 3.649 9.012 1.00 1.00 N ATOM 754 CA MET A 79 3.814 2.489 8.505 1.00 1.00 C ATOM 755 C MET A 79 4.425 1.193 9.042 1.00 1.00 C ATOM 756 O MET A 79 5.632 0.968 8.986 1.00 1.00 O ATOM 757 CB MET A 79 3.868 2.485 6.977 1.00 1.00 C ATOM 758 CG MET A 79 2.662 1.750 6.388 1.00 1.00 C ATOM 759 SD MET A 79 2.445 2.207 4.676 1.00 1.00 S ATOM 760 CE MET A 79 3.008 0.711 3.882 1.00 1.00 C ATOM 0 H MET A 79 5.519 3.676 8.776 1.00 1.00 H new ATOM 0 HA MET A 79 2.778 2.546 8.840 1.00 1.00 H new ATOM 0 HB2 MET A 79 3.890 3.510 6.608 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.789 2.006 6.643 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.807 0.673 6.470 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.764 1.995 6.955 1.00 1.00 H new ATOM 0 HE1 MET A 79 2.939 0.825 2.800 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.044 0.519 4.161 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.386 -0.126 4.199 1.00 1.00 H new ATOM 770 N PRO A 80 3.550 0.334 9.571 1.00 1.00 N ATOM 771 CA PRO A 80 3.907 -0.950 10.134 1.00 1.00 C ATOM 772 C PRO A 80 4.702 -1.753 9.113 1.00 1.00 C ATOM 773 O PRO A 80 5.454 -1.156 8.344 1.00 1.00 O ATOM 774 CB PRO A 80 2.573 -1.627 10.444 1.00 1.00 C ATOM 775 CG PRO A 80 1.596 -0.544 10.558 1.00 1.00 C ATOM 776 CD PRO A 80 2.125 0.567 9.653 1.00 1.00 C ATOM 0 HA PRO A 80 4.529 -0.864 11.025 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.295 -2.324 9.653 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.631 -2.201 11.369 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.606 -0.872 10.242 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.505 -0.202 11.589 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.661 0.528 8.667 1.00 1.00 H new ATOM 0 HD3 PRO A 80 1.909 1.551 10.068 1.00 1.00 H new ATOM 784 N ALA A 81 4.526 -3.066 9.123 1.00 1.00 N ATOM 785 CA ALA A 81 5.238 -3.923 8.191 1.00 1.00 C ATOM 786 C ALA A 81 4.435 -5.206 7.969 1.00 1.00 C ATOM 787 O ALA A 81 3.563 -5.543 8.769 1.00 1.00 O ATOM 788 CB ALA A 81 6.645 -4.201 8.725 1.00 1.00 C ATOM 0 H ALA A 81 3.901 -3.557 9.762 1.00 1.00 H new ATOM 0 HA ALA A 81 5.347 -3.431 7.225 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.179 -4.844 8.026 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.184 -3.260 8.837 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.575 -4.697 9.693 1.00 1.00 H new ATOM 794 N PHE A 82 4.758 -5.887 6.880 1.00 1.00 N ATOM 795 CA PHE A 82 4.077 -7.126 6.543 1.00 1.00 C ATOM 796 C PHE A 82 5.057 -8.152 5.971 1.00 1.00 C ATOM 797 O PHE A 82 5.516 -8.014 4.838 1.00 1.00 O ATOM 798 CB PHE A 82 3.033 -6.787 5.477 1.00 1.00 C ATOM 799 CG PHE A 82 1.997 -5.754 5.926 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.178 -4.438 5.635 1.00 1.00 C ATOM 801 CD2 PHE A 82 0.896 -6.153 6.618 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.217 -3.480 6.052 1.00 1.00 C ATOM 803 CE2 PHE A 82 -0.065 -5.195 7.035 1.00 1.00 C ATOM 804 CZ PHE A 82 0.116 -3.878 6.744 1.00 1.00 C ATOM 0 H PHE A 82 5.482 -5.605 6.219 1.00 1.00 H new ATOM 0 HA PHE A 82 3.623 -7.555 7.436 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.543 -6.412 4.590 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.516 -7.701 5.185 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.053 -4.122 5.087 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.753 -7.198 6.850 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.360 -2.435 5.820 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.940 -5.511 7.583 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.615 -3.149 7.063 1.00 1.00 H new ATOM 814 N GLY A 83 5.350 -9.159 6.781 1.00 1.00 N ATOM 815 CA GLY A 83 6.267 -10.208 6.371 1.00 1.00 C ATOM 816 C GLY A 83 5.507 -11.421 5.830 1.00 1.00 C ATOM 817 O GLY A 83 4.304 -11.345 5.585 1.00 1.00 O ATOM 0 H GLY A 83 4.968 -9.270 7.720 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.942 -9.827 5.605 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.883 -10.509 7.218 1.00 1.00 H new ATOM 821 N GLU A 84 6.240 -12.511 5.659 1.00 1.00 N ATOM 822 CA GLU A 84 5.650 -13.738 5.151 1.00 1.00 C ATOM 823 C GLU A 84 5.020 -14.536 6.294 1.00 1.00 C ATOM 824 O GLU A 84 4.658 -15.699 6.119 1.00 1.00 O ATOM 825 CB GLU A 84 6.688 -14.577 4.403 1.00 1.00 C ATOM 826 CG GLU A 84 7.780 -15.073 5.353 1.00 1.00 C ATOM 827 CD GLU A 84 8.996 -14.146 5.323 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.139 -13.281 6.200 1.00 1.00 O ATOM 829 OE2 GLU A 84 9.811 -14.348 4.343 1.00 1.00 O ATOM 0 H GLU A 84 7.238 -12.570 5.863 1.00 1.00 H new ATOM 0 HA GLU A 84 4.865 -13.475 4.442 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.199 -15.428 3.929 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.136 -13.982 3.607 1.00 1.00 H new ATOM 0 HG2 GLU A 84 7.386 -15.129 6.368 1.00 1.00 H new ATOM 0 HG3 GLU A 84 8.081 -16.082 5.072 1.00 1.00 H new ATOM 837 N ALA A 85 4.908 -13.880 7.440 1.00 1.00 N ATOM 838 CA ALA A 85 4.328 -14.514 8.612 1.00 1.00 C ATOM 839 C ALA A 85 2.810 -14.600 8.441 1.00 1.00 C ATOM 840 O ALA A 85 2.200 -15.611 8.786 1.00 1.00 O ATOM 841 CB ALA A 85 4.731 -13.736 9.866 1.00 1.00 C ATOM 0 H ALA A 85 5.209 -12.916 7.582 1.00 1.00 H new ATOM 0 HA ALA A 85 4.705 -15.530 8.725 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.296 -14.212 10.745 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.817 -13.730 9.957 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.368 -12.711 9.791 1.00 1.00 H new ATOM 847 N MET A 86 2.245 -13.526 7.910 1.00 1.00 N ATOM 848 CA MET A 86 0.810 -13.468 7.689 1.00 1.00 C ATOM 849 C MET A 86 0.486 -13.432 6.194 1.00 1.00 C ATOM 850 O MET A 86 -0.282 -14.257 5.702 1.00 1.00 O ATOM 851 CB MET A 86 0.240 -12.219 8.366 1.00 1.00 C ATOM 852 CG MET A 86 -1.274 -12.339 8.550 1.00 1.00 C ATOM 853 SD MET A 86 -1.845 -11.117 9.719 1.00 1.00 S ATOM 854 CE MET A 86 -0.933 -11.623 11.167 1.00 1.00 C ATOM 0 H MET A 86 2.755 -12.689 7.626 1.00 1.00 H new ATOM 0 HA MET A 86 0.358 -14.363 8.117 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.718 -12.076 9.335 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.468 -11.339 7.765 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.777 -12.202 7.593 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.528 -13.339 8.903 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.526 -11.422 12.059 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.718 -12.690 11.107 1.00 1.00 H new ATOM 0 HE3 MET A 86 0.003 -11.067 11.220 1.00 1.00 H new ATOM 864 N ILE A 87 1.088 -12.468 5.514 1.00 1.00 N ATOM 865 CA ILE A 87 0.873 -12.313 4.085 1.00 1.00 C ATOM 866 C ILE A 87 2.197 -12.530 3.349 1.00 1.00 C ATOM 867 O ILE A 87 3.169 -11.799 3.526 1.00 1.00 O ATOM 868 CB ILE A 87 0.216 -10.965 3.785 1.00 1.00 C ATOM 869 CG1 ILE A 87 -1.029 -10.757 4.650 1.00 1.00 C ATOM 870 CG2 ILE A 87 -0.094 -10.826 2.293 1.00 1.00 C ATOM 871 CD1 ILE A 87 -2.007 -9.790 3.981 1.00 1.00 C ATOM 0 H ILE A 87 1.725 -11.786 5.926 1.00 1.00 H new ATOM 0 HA ILE A 87 0.177 -13.068 3.720 1.00 1.00 H new ATOM 0 HB ILE A 87 0.923 -10.176 4.042 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.520 -11.715 4.823 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.737 -10.368 5.625 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.561 -9.859 2.107 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.831 -10.899 1.721 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.773 -11.621 1.987 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.883 -9.660 4.617 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.521 -8.826 3.832 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.316 -10.194 3.017 1.00 1.00 H new ATOM 883 N PRO A 88 2.211 -13.565 2.506 1.00 1.00 N ATOM 884 CA PRO A 88 3.354 -13.951 1.707 1.00 1.00 C ATOM 885 C PRO A 88 3.544 -12.954 0.572 1.00 1.00 C ATOM 886 O PRO A 88 2.575 -12.541 -0.062 1.00 1.00 O ATOM 887 CB PRO A 88 3.004 -15.335 1.166 1.00 1.00 C ATOM 888 CG PRO A 88 1.528 -15.358 1.133 1.00 1.00 C ATOM 889 CD PRO A 88 1.086 -14.444 2.273 1.00 1.00 C ATOM 0 HA PRO A 88 4.283 -13.967 2.276 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.425 -15.491 0.173 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.399 -16.123 1.807 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.150 -15.002 0.174 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.147 -16.370 1.270 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.194 -13.880 2.003 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.842 -15.018 3.167 1.00 1.00 H new ATOM 897 N PRO A 89 4.796 -12.566 0.319 1.00 1.00 N ATOM 898 CA PRO A 89 5.166 -11.628 -0.718 1.00 1.00 C ATOM 899 C PRO A 89 4.352 -11.908 -1.974 1.00 1.00 C ATOM 900 O PRO A 89 3.861 -10.961 -2.587 1.00 1.00 O ATOM 901 CB PRO A 89 6.652 -11.879 -0.962 1.00 1.00 C ATOM 902 CG PRO A 89 7.149 -12.405 0.326 1.00 1.00 C ATOM 903 CD PRO A 89 5.957 -13.032 1.046 1.00 1.00 C ATOM 0 HA PRO A 89 4.976 -10.591 -0.440 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.807 -12.594 -1.770 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.169 -10.962 -1.244 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.933 -13.145 0.163 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.584 -11.606 0.926 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.018 -14.120 1.037 1.00 1.00 H new ATOM 0 HD3 PRO A 89 5.919 -12.723 2.091 1.00 1.00 H new ATOM 911 N ALA A 90 4.226 -13.178 -2.328 1.00 1.00 N ATOM 912 CA ALA A 90 3.470 -13.553 -3.512 1.00 1.00 C ATOM 913 C ALA A 90 2.033 -13.045 -3.376 1.00 1.00 C ATOM 914 O ALA A 90 1.462 -12.526 -4.334 1.00 1.00 O ATOM 915 CB ALA A 90 3.537 -15.070 -3.701 1.00 1.00 C ATOM 0 H ALA A 90 4.634 -13.961 -1.817 1.00 1.00 H new ATOM 0 HA ALA A 90 3.899 -13.094 -4.403 1.00 1.00 H new ATOM 0 HB1 ALA A 90 2.970 -15.351 -4.589 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.576 -15.376 -3.822 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.112 -15.565 -2.827 1.00 1.00 H new ATOM 921 N ASP A 91 1.490 -13.213 -2.180 1.00 1.00 N ATOM 922 CA ASP A 91 0.131 -12.778 -1.907 1.00 1.00 C ATOM 923 C ASP A 91 0.090 -11.249 -1.856 1.00 1.00 C ATOM 924 O ASP A 91 -0.986 -10.655 -1.817 1.00 1.00 O ATOM 925 CB ASP A 91 -0.357 -13.309 -0.558 1.00 1.00 C ATOM 926 CG ASP A 91 -0.733 -14.792 -0.544 1.00 1.00 C ATOM 927 OD1 ASP A 91 -0.437 -15.535 -1.492 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.366 -15.184 0.510 1.00 1.00 O ATOM 0 H ASP A 91 1.967 -13.645 -1.388 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.511 -13.162 -2.699 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.422 -13.140 0.185 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.225 -12.727 -0.248 1.00 1.00 H new ATOM 934 N ALA A 92 1.275 -10.657 -1.859 1.00 1.00 N ATOM 935 CA ALA A 92 1.388 -9.209 -1.813 1.00 1.00 C ATOM 936 C ALA A 92 1.293 -8.650 -3.234 1.00 1.00 C ATOM 937 O ALA A 92 0.779 -7.552 -3.440 1.00 1.00 O ATOM 938 CB ALA A 92 2.695 -8.820 -1.120 1.00 1.00 C ATOM 0 H ALA A 92 2.165 -11.154 -1.893 1.00 1.00 H new ATOM 0 HA ALA A 92 0.572 -8.778 -1.233 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.779 -7.734 -1.086 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.701 -9.217 -0.105 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.538 -9.232 -1.675 1.00 1.00 H new ATOM 944 N LEU A 93 1.798 -9.431 -4.178 1.00 1.00 N ATOM 945 CA LEU A 93 1.777 -9.027 -5.574 1.00 1.00 C ATOM 946 C LEU A 93 0.326 -8.854 -6.028 1.00 1.00 C ATOM 947 O LEU A 93 0.062 -8.208 -7.041 1.00 1.00 O ATOM 948 CB LEU A 93 2.575 -10.013 -6.429 1.00 1.00 C ATOM 949 CG LEU A 93 4.094 -9.981 -6.248 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.750 -11.201 -6.897 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.681 -8.669 -6.773 1.00 1.00 C ATOM 0 H LEU A 93 2.224 -10.341 -4.004 1.00 1.00 H new ATOM 0 HA LEU A 93 2.268 -8.062 -5.699 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.224 -11.021 -6.209 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.350 -9.819 -7.478 1.00 1.00 H new ATOM 0 HG LEU A 93 4.311 -10.028 -5.181 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.829 -11.153 -6.754 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.363 -12.110 -6.437 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.526 -11.210 -7.964 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.762 -8.672 -6.632 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.453 -8.567 -7.834 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.246 -7.832 -6.227 1.00 1.00 H new ATOM 963 N LYS A 94 -0.576 -9.442 -5.256 1.00 1.00 N ATOM 964 CA LYS A 94 -1.993 -9.361 -5.567 1.00 1.00 C ATOM 965 C LYS A 94 -2.568 -8.074 -4.971 1.00 1.00 C ATOM 966 O LYS A 94 -3.556 -7.540 -5.475 1.00 1.00 O ATOM 967 CB LYS A 94 -2.716 -10.628 -5.107 1.00 1.00 C ATOM 968 CG LYS A 94 -3.462 -10.387 -3.792 1.00 1.00 C ATOM 969 CD LYS A 94 -3.572 -11.679 -2.980 1.00 1.00 C ATOM 970 CE LYS A 94 -4.838 -12.453 -3.350 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.037 -11.777 -2.805 1.00 1.00 N ATOM 0 H LYS A 94 -0.353 -9.976 -4.416 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.144 -9.310 -6.645 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.420 -10.949 -5.875 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -1.995 -11.436 -4.978 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.941 -9.629 -3.207 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.459 -9.998 -4.001 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -2.695 -12.301 -3.160 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -3.583 -11.444 -1.916 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.919 -12.532 -4.434 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.777 -13.469 -2.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.580 -12.448 -2.224 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -5.744 -10.970 -2.219 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.631 -11.438 -3.589 1.00 1.00 H new ATOM 984 N ILE A 95 -1.926 -7.613 -3.908 1.00 1.00 N ATOM 985 CA ILE A 95 -2.361 -6.399 -3.239 1.00 1.00 C ATOM 986 C ILE A 95 -2.065 -5.194 -4.134 1.00 1.00 C ATOM 987 O ILE A 95 -2.937 -4.356 -4.361 1.00 1.00 O ATOM 988 CB ILE A 95 -1.733 -6.300 -1.847 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.919 -7.603 -1.068 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.281 -5.093 -1.083 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.357 -7.740 -0.563 1.00 1.00 C ATOM 0 H ILE A 95 -1.108 -8.059 -3.493 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.439 -6.419 -3.077 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.661 -6.146 -1.966 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.672 -8.451 -1.707 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.230 -7.628 -0.224 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.818 -5.046 -0.097 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.055 -4.180 -1.634 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.361 -5.192 -0.973 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.462 -8.675 -0.013 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.593 -6.903 0.095 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -4.042 -7.739 -1.411 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.833 -5.145 -4.618 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.411 -4.057 -5.483 1.00 1.00 C ATOM 1005 C GLY A 96 -1.465 -3.767 -6.553 1.00 1.00 C ATOM 1006 O GLY A 96 -1.580 -2.638 -7.027 1.00 1.00 O ATOM 0 H GLY A 96 -0.113 -5.842 -4.427 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.236 -3.161 -4.887 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.535 -4.313 -5.960 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.210 -4.806 -6.902 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.251 -4.677 -7.907 1.00 1.00 C ATOM 1012 C GLU A 97 -4.368 -3.764 -7.400 1.00 1.00 C ATOM 1013 O GLU A 97 -4.798 -2.825 -8.066 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.801 -6.048 -8.306 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.671 -7.066 -8.471 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.151 -8.299 -9.240 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.332 -9.370 -8.643 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.339 -8.115 -10.503 1.00 1.00 O ATOM 0 H GLU A 97 -2.113 -5.741 -6.506 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.815 -4.224 -8.798 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.502 -6.397 -7.548 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.358 -5.963 -9.239 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.836 -6.606 -9.000 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.301 -7.366 -7.491 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.836 -4.065 -6.187 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.896 -3.298 -5.565 1.00 1.00 C ATOM 1028 C TYR A 98 -5.594 -1.811 -5.682 1.00 1.00 C ATOM 1029 O TYR A 98 -6.530 -1.014 -5.713 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.029 -3.709 -4.102 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.200 -3.065 -3.398 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -6.980 -2.061 -2.448 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.506 -3.472 -3.697 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.066 -1.464 -1.797 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.592 -2.875 -3.046 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.372 -1.870 -2.095 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.429 -1.288 -1.461 1.00 1.00 O ATOM 0 H TYR A 98 -4.490 -4.840 -5.621 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.840 -3.498 -6.072 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.133 -4.793 -4.046 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.111 -3.449 -3.575 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -5.973 -1.747 -2.217 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.676 -4.247 -4.430 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -7.896 -0.689 -1.064 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.599 -3.189 -3.277 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.264 -1.685 -1.785 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.315 -1.469 -5.744 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.918 -0.076 -5.857 1.00 1.00 C ATOM 1049 C VAL A 99 -3.646 0.255 -7.326 1.00 1.00 C ATOM 1050 O VAL A 99 -2.757 1.048 -7.634 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.717 0.202 -4.950 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.140 1.594 -5.214 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.093 0.034 -3.477 1.00 1.00 C ATOM 0 H VAL A 99 -3.541 -2.133 -5.718 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.722 0.578 -5.519 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.944 -0.530 -5.184 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.288 1.765 -4.556 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.816 1.663 -6.253 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.904 2.347 -5.022 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.222 0.237 -2.854 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.891 0.731 -3.223 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.434 -0.987 -3.303 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.428 -0.369 -8.195 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.283 -0.151 -9.624 1.00 1.00 C ATOM 1065 C VAL A 100 -5.654 -0.262 -10.294 1.00 1.00 C ATOM 1066 O VAL A 100 -5.742 -0.471 -11.503 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.255 -1.127 -10.200 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.204 -1.031 -11.726 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.872 -0.892 -9.589 1.00 1.00 C ATOM 0 H VAL A 100 -5.164 -1.026 -7.937 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.905 0.852 -9.821 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.569 -2.137 -9.938 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.466 -1.735 -12.110 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.184 -1.271 -12.139 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.926 -0.018 -12.018 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.161 -1.599 -10.016 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.547 0.126 -9.806 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.922 -1.035 -8.510 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.688 -0.116 -9.480 1.00 1.00 N ATOM 1080 CA ALA A 101 -8.051 -0.197 -9.979 1.00 1.00 C ATOM 1081 C ALA A 101 -8.826 1.045 -9.535 1.00 1.00 C ATOM 1082 O ALA A 101 -10.056 1.033 -9.498 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.698 -1.494 -9.489 1.00 1.00 C ATOM 0 H ALA A 101 -6.610 0.058 -8.478 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.060 -0.220 -11.069 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.720 -1.555 -9.863 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.126 -2.347 -9.855 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.709 -1.506 -8.399 1.00 1.00 H new ATOM 1089 N SER A 102 -8.076 2.087 -9.210 1.00 1.00 N ATOM 1090 CA SER A 102 -8.677 3.335 -8.770 1.00 1.00 C ATOM 1091 C SER A 102 -7.741 4.505 -9.080 1.00 1.00 C ATOM 1092 O SER A 102 -8.179 5.538 -9.584 1.00 1.00 O ATOM 1093 CB SER A 102 -9.000 3.294 -7.275 1.00 1.00 C ATOM 1094 OG SER A 102 -8.038 2.540 -6.542 1.00 1.00 O ATOM 0 H SER A 102 -7.057 2.093 -9.242 1.00 1.00 H new ATOM 0 HA SER A 102 -9.612 3.474 -9.312 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.038 4.311 -6.884 1.00 1.00 H new ATOM 0 HB3 SER A 102 -9.989 2.859 -7.129 1.00 1.00 H new ATOM 0 HG SER A 102 -7.204 3.050 -6.476 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.470 4.303 -8.766 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.469 5.329 -9.004 1.00 1.00 C ATOM 1102 C PHE A 103 -4.091 4.706 -9.237 1.00 1.00 C ATOM 1103 O PHE A 103 -3.251 4.627 -8.344 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.415 6.202 -7.749 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.866 5.487 -6.474 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.388 4.247 -6.184 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.746 6.091 -5.630 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.808 3.583 -5.001 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.165 5.427 -4.447 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.687 4.188 -4.157 1.00 1.00 C ATOM 0 H PHE A 103 -6.110 3.444 -8.349 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.732 5.907 -9.890 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.395 6.560 -7.611 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.042 7.080 -7.902 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.689 3.767 -6.853 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.126 7.076 -5.860 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.430 2.598 -4.771 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.864 5.906 -3.777 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.005 3.684 -3.256 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.876 4.259 -10.477 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.646 3.637 -10.918 1.00 1.00 C ATOM 1122 C PRO A 104 -1.457 4.442 -10.412 1.00 1.00 C ATOM 1123 O PRO A 104 -1.588 5.627 -10.116 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.718 3.667 -12.443 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.242 3.501 -12.681 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.841 4.336 -11.552 1.00 1.00 C ATOM 0 HA PRO A 104 -2.525 2.621 -10.542 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.338 4.602 -12.854 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.141 2.861 -12.897 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.543 3.869 -13.662 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.551 2.457 -12.623 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.001 5.368 -11.866 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.809 3.944 -11.242 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.291 2.681 4.295 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.590 5.549 2.886 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.193 1.272 1.020 1.00 1.00 C HETATM 1138 CHC HEC A 201 -1.073 -0.265 5.465 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.053 4.159 7.293 1.00 1.00 C HETATM 1140 NA HEC A 201 0.828 3.265 2.348 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.272 4.528 1.996 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.363 4.645 0.560 1.00 1.00 C HETATM 1143 C3A HEC A 201 0.977 3.461 0.040 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.642 2.599 1.149 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.894 3.070 -1.407 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.810 5.876 -0.175 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.309 6.148 -0.075 1.00 1.00 C HETATM 1148 CGA HEC A 201 3.948 5.303 1.017 1.00 1.00 C HETATM 1149 O1A HEC A 201 3.892 4.062 0.880 1.00 1.00 O HETATM 1150 O2A HEC A 201 4.480 5.914 1.969 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.317 0.879 3.402 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.270 0.491 2.074 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.774 -0.854 1.926 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.126 -1.283 3.157 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.844 -0.208 4.078 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.870 -1.598 0.626 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.703 -2.614 3.541 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.899 -3.809 3.038 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.317 2.050 6.047 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.907 0.845 6.389 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.380 0.889 7.752 1.00 1.00 C HETATM 1162 C3C HEC A 201 -1.081 2.112 8.238 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.418 2.838 7.180 1.00 1.00 C HETATM 1164 CMC HEC A 201 -2.072 -0.242 8.457 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.362 2.656 9.608 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.912 1.742 10.744 1.00 1.00 C HETATM 1167 ND HEC A 201 0.656 4.498 4.925 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.632 4.881 6.255 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.297 6.152 6.423 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.724 6.540 5.202 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.327 5.514 4.267 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.460 6.870 7.731 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.473 7.790 4.840 1.00 1.00 C HETATM 1174 CBD HEC A 201 3.990 7.627 4.841 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.457 6.850 6.063 1.00 1.00 C HETATM 1176 O1D HEC A 201 3.967 5.713 6.234 1.00 1.00 O HETATM 1177 O2D HEC A 201 5.295 7.407 6.804 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.478 7.086 8.152 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.022 6.243 8.423 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 1.999 7.804 7.569 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.986 -0.500 7.922 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.413 -1.109 8.487 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.320 0.061 9.474 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.518 -1.051 -0.059 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.123 -1.694 0.187 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.285 -2.590 0.804 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.197 3.730 -1.923 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.880 3.155 -1.864 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.545 2.040 -1.486 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.304 7.109 3.935 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.464 8.608 4.827 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.428 0.785 10.667 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.164 1.581 10.677 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -1.150 2.206 11.701 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.850 -3.783 1.949 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.110 -3.767 3.447 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.382 -4.733 3.357 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.785 5.932 -1.031 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.477 7.205 0.134 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.154 8.119 3.851 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.202 8.579 5.541 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.538 5.778 -1.226 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.268 6.737 0.216 1.00 1.00 H new HETATM 0 HHD HEC A 201 -0.043 4.651 8.261 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.401 -1.218 5.880 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.209 0.825 0.026 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.077 6.438 2.485 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.776 6.728 7.322 1.00 1.00 H new HETATM 0 H2A HEC A 201 4.852 5.268 2.605 1.00 1.00 H new