USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 518 hydrogens (32 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 36 HIS HE2 : A 36 HIS NE2 : A 93 HECFE :(H bumps) USER MOD NoAdj-H: A 93 HEC HAC : A 93 HEC CAC : A 35 CYS SG :(H bumps) USER MOD NoAdj-H: A 93 HEC HAB : A 93 HEC CAB : A 32 CYS SG :(H bumps) USER MOD Set 1.1: A 55 TYR OH : rot -174:sc= 1.2 USER MOD Set 1.2: A 93 HEC O2A : rot 167:sc= 1.16 USER MOD Single : A 29 GLN : amide:sc= 0.72 K(o=0.72,f=-0.1) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= 1.21 (180deg=1.15) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 44 SER OG : rot -47:sc= 0.0162 USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= -0.727 (180deg=-2.29!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.00015) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.27 K(o=1.3,f=-0.39) USER MOD Single : A 68 GLN : amide:sc= 1.8 K(o=1.8,f=-7!) USER MOD Single : A 71 MET CE :methyl 178:sc= -0.0091 (180deg=-0.023) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= 1.17 (180deg=-0.461) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HEC O2D : rot 166:sc= -0.0523 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 22 -13.448 4.434 1.122 1.00 0.00 N ATOM 2 CA VAL A 22 -12.664 4.731 -0.071 1.00 0.00 C ATOM 3 C VAL A 22 -12.118 3.389 -0.505 1.00 0.00 C ATOM 4 O VAL A 22 -11.575 2.659 0.319 1.00 0.00 O ATOM 5 CB VAL A 22 -11.540 5.758 0.149 1.00 0.00 C ATOM 6 CG1 VAL A 22 -10.947 6.140 -1.214 1.00 0.00 C ATOM 7 CG2 VAL A 22 -12.054 7.028 0.835 1.00 0.00 C ATOM 0 HA VAL A 22 -13.287 5.207 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.788 5.304 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.148 6.868 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.545 5.250 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.726 6.573 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.229 7.727 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.823 7.490 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.477 6.771 1.806 1.00 0.00 H new ATOM 19 N ASP A 23 -12.385 3.040 -1.747 1.00 0.00 N ATOM 20 CA ASP A 23 -12.261 1.704 -2.280 1.00 0.00 C ATOM 21 C ASP A 23 -10.774 1.390 -2.394 1.00 0.00 C ATOM 22 O ASP A 23 -10.084 1.835 -3.310 1.00 0.00 O ATOM 23 CB ASP A 23 -12.985 1.667 -3.634 1.00 0.00 C ATOM 24 CG ASP A 23 -14.446 2.100 -3.520 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.658 3.216 -2.986 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.313 1.313 -3.947 1.00 0.00 O ATOM 0 H ASP A 23 -12.709 3.713 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.716 0.947 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.468 2.319 -4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.938 0.657 -4.042 1.00 0.00 H new ATOM 31 N ALA A 24 -10.279 0.658 -1.397 1.00 0.00 N ATOM 32 CA ALA A 24 -8.864 0.455 -1.160 1.00 0.00 C ATOM 33 C ALA A 24 -8.130 -0.007 -2.411 1.00 0.00 C ATOM 34 O ALA A 24 -7.096 0.552 -2.786 1.00 0.00 O ATOM 35 CB ALA A 24 -8.696 -0.581 -0.061 1.00 0.00 C ATOM 0 H ALA A 24 -10.872 0.181 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.430 1.410 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.635 -0.743 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.176 -0.225 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.157 -1.519 -0.371 1.00 0.00 H new ATOM 41 N GLU A 25 -8.673 -1.037 -3.063 1.00 0.00 N ATOM 42 CA GLU A 25 -8.064 -1.522 -4.279 1.00 0.00 C ATOM 43 C GLU A 25 -8.066 -0.414 -5.328 1.00 0.00 C ATOM 44 O GLU A 25 -7.074 -0.269 -6.015 1.00 0.00 O ATOM 45 CB GLU A 25 -8.691 -2.837 -4.758 1.00 0.00 C ATOM 46 CG GLU A 25 -9.787 -2.659 -5.812 1.00 0.00 C ATOM 47 CD GLU A 25 -10.419 -4.002 -6.143 1.00 0.00 C ATOM 48 OE1 GLU A 25 -10.979 -4.603 -5.201 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.303 -4.412 -7.316 1.00 0.00 O ATOM 0 H GLU A 25 -9.514 -1.534 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.023 -1.778 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.907 -3.473 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.109 -3.362 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.548 -1.971 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.366 -2.215 -6.714 1.00 0.00 H new ATOM 56 N ALA A 26 -9.124 0.394 -5.453 1.00 0.00 N ATOM 57 CA ALA A 26 -9.194 1.429 -6.481 1.00 0.00 C ATOM 58 C ALA A 26 -8.082 2.459 -6.298 1.00 0.00 C ATOM 59 O ALA A 26 -7.424 2.825 -7.267 1.00 0.00 O ATOM 60 CB ALA A 26 -10.565 2.109 -6.480 1.00 0.00 C ATOM 0 H ALA A 26 -9.946 0.348 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.054 0.947 -7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.591 2.876 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.339 1.367 -6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.742 2.569 -5.508 1.00 0.00 H new ATOM 66 N VAL A 27 -7.853 2.902 -5.053 1.00 0.00 N ATOM 67 CA VAL A 27 -6.661 3.672 -4.691 1.00 0.00 C ATOM 68 C VAL A 27 -5.464 2.918 -5.241 1.00 0.00 C ATOM 69 O VAL A 27 -4.799 3.408 -6.147 1.00 0.00 O ATOM 70 CB VAL A 27 -6.591 3.875 -3.159 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.356 4.663 -2.706 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.832 4.606 -2.634 1.00 0.00 C ATOM 0 H VAL A 27 -8.489 2.736 -4.273 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.683 4.674 -5.119 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.533 2.868 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.370 4.769 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.454 4.130 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.365 5.651 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.750 4.732 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.906 5.584 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.723 4.022 -2.865 1.00 0.00 H new ATOM 82 N VAL A 28 -5.190 1.719 -4.736 1.00 0.00 N ATOM 83 CA VAL A 28 -3.923 1.080 -5.018 1.00 0.00 C ATOM 84 C VAL A 28 -3.693 0.871 -6.519 1.00 0.00 C ATOM 85 O VAL A 28 -2.651 1.278 -7.044 1.00 0.00 O ATOM 86 CB VAL A 28 -3.835 -0.170 -4.142 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.671 -1.055 -4.580 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.720 0.296 -2.679 1.00 0.00 C ATOM 0 H VAL A 28 -5.821 1.183 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.084 1.723 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.727 -0.788 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.626 -1.939 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.816 -1.361 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.738 -0.498 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.655 -0.573 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.825 0.907 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.598 0.885 -2.415 1.00 0.00 H new ATOM 98 N GLN A 29 -4.707 0.332 -7.190 1.00 0.00 N ATOM 99 CA GLN A 29 -4.853 0.110 -8.622 1.00 0.00 C ATOM 100 C GLN A 29 -4.701 1.395 -9.455 1.00 0.00 C ATOM 101 O GLN A 29 -4.644 1.311 -10.679 1.00 0.00 O ATOM 102 CB GLN A 29 -6.206 -0.588 -8.881 1.00 0.00 C ATOM 103 CG GLN A 29 -6.246 -2.042 -8.380 1.00 0.00 C ATOM 104 CD GLN A 29 -5.267 -2.945 -9.130 1.00 0.00 C ATOM 105 OE1 GLN A 29 -5.446 -3.215 -10.312 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.216 -3.403 -8.454 1.00 0.00 N ATOM 0 H GLN A 29 -5.533 0.006 -6.688 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.038 -0.534 -8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.999 -0.021 -8.393 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.416 -0.574 -9.951 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.013 -2.063 -7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.257 -2.434 -8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.096 -3.159 -7.471 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.530 -3.998 -8.919 1.00 0.00 H new ATOM 115 N GLN A 30 -4.600 2.572 -8.826 1.00 0.00 N ATOM 116 CA GLN A 30 -4.313 3.833 -9.498 1.00 0.00 C ATOM 117 C GLN A 30 -3.219 4.650 -8.798 1.00 0.00 C ATOM 118 O GLN A 30 -2.941 5.773 -9.216 1.00 0.00 O ATOM 119 CB GLN A 30 -5.622 4.622 -9.670 1.00 0.00 C ATOM 120 CG GLN A 30 -5.855 4.896 -11.163 1.00 0.00 C ATOM 121 CD GLN A 30 -7.275 5.360 -11.458 1.00 0.00 C ATOM 122 OE1 GLN A 30 -8.035 4.670 -12.128 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.652 6.538 -10.973 1.00 0.00 N ATOM 0 H GLN A 30 -4.719 2.670 -7.818 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.903 3.612 -10.484 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.458 4.057 -9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.569 5.561 -9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.151 5.655 -11.504 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.647 3.990 -11.732 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.001 7.093 -10.418 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.593 6.887 -11.155 1.00 0.00 H new ATOM 132 N LYS A 31 -2.629 4.130 -7.717 1.00 0.00 N ATOM 133 CA LYS A 31 -1.739 4.872 -6.836 1.00 0.00 C ATOM 134 C LYS A 31 -0.442 4.090 -6.631 1.00 0.00 C ATOM 135 O LYS A 31 0.635 4.588 -6.956 1.00 0.00 O ATOM 136 CB LYS A 31 -2.475 5.151 -5.512 1.00 0.00 C ATOM 137 CG LYS A 31 -3.577 6.212 -5.661 1.00 0.00 C ATOM 138 CD LYS A 31 -2.980 7.624 -5.559 1.00 0.00 C ATOM 139 CE LYS A 31 -4.067 8.699 -5.446 1.00 0.00 C ATOM 140 NZ LYS A 31 -3.523 9.953 -4.879 1.00 0.00 N ATOM 0 H LYS A 31 -2.764 3.161 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.465 5.830 -7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.915 4.225 -5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.755 5.482 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.079 6.091 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.332 6.073 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.324 7.679 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.364 7.822 -6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.491 8.896 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.879 8.334 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.306 10.552 -4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.896 9.729 -4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.985 10.460 -5.610 1.00 0.00 H new ATOM 154 N CYS A 32 -0.529 2.874 -6.092 1.00 0.00 N ATOM 155 CA CYS A 32 0.642 2.109 -5.683 1.00 0.00 C ATOM 156 C CYS A 32 1.186 1.308 -6.858 1.00 0.00 C ATOM 157 O CYS A 32 2.401 1.252 -7.070 1.00 0.00 O ATOM 158 CB CYS A 32 0.322 1.203 -4.488 1.00 0.00 C ATOM 159 SG CYS A 32 -0.905 1.935 -3.356 1.00 0.00 S ATOM 0 H CYS A 32 -1.414 2.394 -5.928 1.00 0.00 H new ATOM 0 HA CYS A 32 1.415 2.807 -5.361 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.052 0.246 -4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.240 0.997 -3.938 1.00 0.00 H new ATOM 164 N ILE A 33 0.276 0.730 -7.652 1.00 0.00 N ATOM 165 CA ILE A 33 0.643 -0.036 -8.836 1.00 0.00 C ATOM 166 C ILE A 33 1.575 0.752 -9.754 1.00 0.00 C ATOM 167 O ILE A 33 2.377 0.157 -10.470 1.00 0.00 O ATOM 168 CB ILE A 33 -0.594 -0.547 -9.589 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.522 0.528 -10.183 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.411 -1.477 -8.683 1.00 0.00 C ATOM 171 CD1 ILE A 33 -1.102 1.069 -11.554 1.00 0.00 C ATOM 0 H ILE A 33 -0.729 0.783 -7.488 1.00 0.00 H new ATOM 0 HA ILE A 33 1.195 -0.911 -8.492 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.185 -1.074 -10.451 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.526 0.112 -10.267 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.580 1.362 -9.483 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.287 -1.835 -9.224 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.796 -2.326 -8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.731 -0.931 -7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.820 1.820 -11.884 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.113 1.521 -11.479 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.074 0.252 -12.275 1.00 0.00 H new ATOM 183 N SER A 34 1.487 2.086 -9.700 1.00 0.00 N ATOM 184 CA SER A 34 2.337 3.004 -10.437 1.00 0.00 C ATOM 185 C SER A 34 3.820 2.614 -10.325 1.00 0.00 C ATOM 186 O SER A 34 4.548 2.725 -11.310 1.00 0.00 O ATOM 187 CB SER A 34 2.055 4.435 -9.956 1.00 0.00 C ATOM 188 OG SER A 34 2.542 5.387 -10.879 1.00 0.00 O ATOM 0 H SER A 34 0.797 2.563 -9.120 1.00 0.00 H new ATOM 0 HA SER A 34 2.104 2.949 -11.500 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.982 4.571 -9.820 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.522 4.594 -8.984 1.00 0.00 H new ATOM 0 HG SER A 34 2.349 6.290 -10.550 1.00 0.00 H new ATOM 194 N CYS A 35 4.262 2.130 -9.152 1.00 0.00 N ATOM 195 CA CYS A 35 5.622 1.623 -8.962 1.00 0.00 C ATOM 196 C CYS A 35 5.617 0.130 -8.629 1.00 0.00 C ATOM 197 O CYS A 35 6.477 -0.609 -9.101 1.00 0.00 O ATOM 198 CB CYS A 35 6.378 2.436 -7.902 1.00 0.00 C ATOM 199 SG CYS A 35 6.123 4.216 -8.179 1.00 0.00 S ATOM 0 H CYS A 35 3.684 2.081 -8.313 1.00 0.00 H new ATOM 0 HA CYS A 35 6.155 1.744 -9.905 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.030 2.162 -6.906 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.442 2.202 -7.944 1.00 0.00 H new ATOM 204 N HIS A 36 4.660 -0.333 -7.820 1.00 0.00 N ATOM 205 CA HIS A 36 4.619 -1.720 -7.375 1.00 0.00 C ATOM 206 C HIS A 36 4.118 -2.690 -8.459 1.00 0.00 C ATOM 207 O HIS A 36 4.307 -3.899 -8.319 1.00 0.00 O ATOM 208 CB HIS A 36 3.818 -1.809 -6.070 1.00 0.00 C ATOM 209 CG HIS A 36 4.529 -1.168 -4.898 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.488 -1.783 -4.119 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.317 0.092 -4.385 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.826 -0.910 -3.156 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.151 0.247 -3.270 1.00 0.00 N ATOM 0 H HIS A 36 3.899 0.242 -7.460 1.00 0.00 H new ATOM 0 HA HIS A 36 5.639 -2.048 -7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.851 -1.327 -6.210 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.622 -2.856 -5.841 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.867 -2.721 -4.250 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.630 0.830 -4.773 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.553 -1.113 -2.383 1.00 0.00 H new ATOM 221 N GLY A 37 3.536 -2.187 -9.553 1.00 0.00 N ATOM 222 CA GLY A 37 3.000 -2.999 -10.641 1.00 0.00 C ATOM 223 C GLY A 37 1.548 -3.382 -10.360 1.00 0.00 C ATOM 224 O GLY A 37 1.157 -3.473 -9.199 1.00 0.00 O ATOM 0 H GLY A 37 3.424 -1.185 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.061 -2.447 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.603 -3.899 -10.761 1.00 0.00 H new ATOM 228 N GLY A 38 0.747 -3.600 -11.412 1.00 0.00 N ATOM 229 CA GLY A 38 -0.683 -3.915 -11.336 1.00 0.00 C ATOM 230 C GLY A 38 -1.012 -4.925 -10.237 1.00 0.00 C ATOM 231 O GLY A 38 -1.858 -4.678 -9.376 1.00 0.00 O ATOM 0 H GLY A 38 1.090 -3.560 -12.372 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.243 -2.997 -11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.014 -4.310 -12.296 1.00 0.00 H new ATOM 235 N ASP A 39 -0.323 -6.064 -10.285 1.00 0.00 N ATOM 236 CA ASP A 39 -0.502 -7.204 -9.402 1.00 0.00 C ATOM 237 C ASP A 39 0.182 -6.992 -8.045 1.00 0.00 C ATOM 238 O ASP A 39 0.031 -7.826 -7.154 1.00 0.00 O ATOM 239 CB ASP A 39 0.082 -8.452 -10.085 1.00 0.00 C ATOM 240 CG ASP A 39 -0.282 -8.565 -11.559 1.00 0.00 C ATOM 241 OD1 ASP A 39 0.217 -7.695 -12.312 1.00 0.00 O ATOM 242 OD2 ASP A 39 -1.036 -9.498 -11.901 1.00 0.00 O ATOM 0 H ASP A 39 0.410 -6.219 -10.977 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.568 -7.329 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.167 -8.435 -9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.271 -9.341 -9.563 1.00 0.00 H new ATOM 247 N LEU A 40 0.960 -5.911 -7.894 1.00 0.00 N ATOM 248 CA LEU A 40 1.666 -5.528 -6.670 1.00 0.00 C ATOM 249 C LEU A 40 2.803 -6.505 -6.366 1.00 0.00 C ATOM 250 O LEU A 40 3.296 -6.573 -5.237 1.00 0.00 O ATOM 251 CB LEU A 40 0.666 -5.339 -5.522 1.00 0.00 C ATOM 252 CG LEU A 40 -0.420 -4.327 -5.938 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.799 -4.834 -5.521 1.00 0.00 C ATOM 254 CD2 LEU A 40 -0.127 -2.951 -5.350 1.00 0.00 C ATOM 0 H LEU A 40 1.119 -5.253 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 40 2.152 -4.562 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.207 -6.294 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.184 -4.985 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.413 -4.226 -7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.558 -4.111 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.997 -5.790 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.827 -4.963 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.905 -2.252 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.105 -3.017 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.839 -2.599 -5.711 1.00 0.00 H new ATOM 266 N THR A 41 3.243 -7.213 -7.411 1.00 0.00 N ATOM 267 CA THR A 41 4.312 -8.190 -7.440 1.00 0.00 C ATOM 268 C THR A 41 5.686 -7.518 -7.494 1.00 0.00 C ATOM 269 O THR A 41 6.695 -8.211 -7.391 1.00 0.00 O ATOM 270 CB THR A 41 4.077 -9.055 -8.685 1.00 0.00 C ATOM 271 OG1 THR A 41 3.689 -8.202 -9.748 1.00 0.00 O ATOM 272 CG2 THR A 41 2.954 -10.067 -8.430 1.00 0.00 C ATOM 0 H THR A 41 2.818 -7.100 -8.331 1.00 0.00 H new ATOM 0 HA THR A 41 4.305 -8.793 -6.532 1.00 0.00 H new ATOM 0 HB THR A 41 4.991 -9.597 -8.929 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.535 -8.735 -10.556 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.800 -10.673 -9.323 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.229 -10.713 -7.596 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.033 -9.536 -8.189 1.00 0.00 H new ATOM 280 N GLY A 42 5.742 -6.187 -7.621 1.00 0.00 N ATOM 281 CA GLY A 42 6.959 -5.426 -7.427 1.00 0.00 C ATOM 282 C GLY A 42 7.674 -5.160 -8.747 1.00 0.00 C ATOM 283 O GLY A 42 8.591 -5.890 -9.116 1.00 0.00 O ATOM 0 H GLY A 42 4.934 -5.614 -7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.722 -4.478 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.624 -5.969 -6.756 1.00 0.00 H new ATOM 287 N ALA A 43 7.258 -4.109 -9.462 1.00 0.00 N ATOM 288 CA ALA A 43 7.889 -3.707 -10.714 1.00 0.00 C ATOM 289 C ALA A 43 9.129 -2.843 -10.448 1.00 0.00 C ATOM 290 O ALA A 43 10.254 -3.283 -10.662 1.00 0.00 O ATOM 291 CB ALA A 43 6.863 -3.002 -11.608 1.00 0.00 C ATOM 0 H ALA A 43 6.475 -3.517 -9.185 1.00 0.00 H new ATOM 0 HA ALA A 43 8.237 -4.593 -11.245 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.339 -2.703 -12.542 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.038 -3.682 -11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.481 -2.118 -11.097 1.00 0.00 H new ATOM 297 N SER A 44 8.917 -1.607 -9.990 1.00 0.00 N ATOM 298 CA SER A 44 9.956 -0.627 -9.668 1.00 0.00 C ATOM 299 C SER A 44 10.211 -0.578 -8.152 1.00 0.00 C ATOM 300 O SER A 44 10.977 0.249 -7.664 1.00 0.00 O ATOM 301 CB SER A 44 9.522 0.745 -10.203 1.00 0.00 C ATOM 302 OG SER A 44 10.634 1.603 -10.373 1.00 0.00 O ATOM 0 H SER A 44 7.977 -1.247 -9.827 1.00 0.00 H new ATOM 0 HA SER A 44 10.894 -0.918 -10.141 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.007 0.620 -11.155 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.811 1.199 -9.513 1.00 0.00 H new ATOM 0 HG SER A 44 11.201 1.566 -9.574 1.00 0.00 H new ATOM 308 N ALA A 45 9.510 -1.420 -7.393 1.00 0.00 N ATOM 309 CA ALA A 45 9.495 -1.459 -5.942 1.00 0.00 C ATOM 310 C ALA A 45 9.353 -2.930 -5.560 1.00 0.00 C ATOM 311 O ALA A 45 8.983 -3.721 -6.428 1.00 0.00 O ATOM 312 CB ALA A 45 8.286 -0.641 -5.482 1.00 0.00 C ATOM 0 H ALA A 45 8.905 -2.131 -7.804 1.00 0.00 H new ATOM 0 HA ALA A 45 10.392 -1.045 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.237 -0.645 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.384 0.385 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.374 -1.080 -5.887 1.00 0.00 H new ATOM 318 N PRO A 46 9.627 -3.337 -4.312 1.00 0.00 N ATOM 319 CA PRO A 46 9.394 -4.707 -3.889 1.00 0.00 C ATOM 320 C PRO A 46 7.904 -5.062 -3.953 1.00 0.00 C ATOM 321 O PRO A 46 7.029 -4.189 -3.980 1.00 0.00 O ATOM 322 CB PRO A 46 9.956 -4.805 -2.467 1.00 0.00 C ATOM 323 CG PRO A 46 9.890 -3.364 -1.964 1.00 0.00 C ATOM 324 CD PRO A 46 10.176 -2.549 -3.224 1.00 0.00 C ATOM 0 HA PRO A 46 9.886 -5.423 -4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.363 -5.476 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.977 -5.186 -2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.913 -3.127 -1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.627 -3.174 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.708 -1.566 -3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.246 -2.386 -3.355 1.00 0.00 H new ATOM 332 N ALA A 47 7.635 -6.371 -3.980 1.00 0.00 N ATOM 333 CA ALA A 47 6.293 -6.920 -4.005 1.00 0.00 C ATOM 334 C ALA A 47 5.577 -6.549 -2.714 1.00 0.00 C ATOM 335 O ALA A 47 5.969 -7.034 -1.654 1.00 0.00 O ATOM 336 CB ALA A 47 6.355 -8.446 -4.141 1.00 0.00 C ATOM 0 H ALA A 47 8.364 -7.085 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 47 5.750 -6.511 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.343 -8.851 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.867 -8.708 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.898 -8.865 -3.294 1.00 0.00 H new ATOM 342 N ILE A 48 4.533 -5.718 -2.795 1.00 0.00 N ATOM 343 CA ILE A 48 3.706 -5.428 -1.630 1.00 0.00 C ATOM 344 C ILE A 48 2.418 -6.221 -1.615 1.00 0.00 C ATOM 345 O ILE A 48 1.738 -6.187 -0.598 1.00 0.00 O ATOM 346 CB ILE A 48 3.464 -3.935 -1.363 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.964 -3.078 -2.530 1.00 0.00 C ATOM 348 CG2 ILE A 48 4.734 -3.296 -0.855 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.465 -2.882 -2.434 1.00 0.00 C ATOM 0 H ILE A 48 4.246 -5.240 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 48 4.310 -5.768 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 48 2.650 -3.948 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.465 -2.110 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.215 -3.558 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.558 -2.237 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.041 -3.783 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.521 -3.406 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.124 -2.271 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.968 -3.852 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.223 -2.382 -1.496 1.00 0.00 H new ATOM 361 N ASP A 49 2.096 -6.984 -2.661 1.00 0.00 N ATOM 362 CA ASP A 49 0.909 -7.832 -2.660 1.00 0.00 C ATOM 363 C ASP A 49 0.765 -8.626 -1.346 1.00 0.00 C ATOM 364 O ASP A 49 -0.335 -8.791 -0.832 1.00 0.00 O ATOM 365 CB ASP A 49 0.915 -8.745 -3.897 1.00 0.00 C ATOM 366 CG ASP A 49 1.402 -10.149 -3.582 1.00 0.00 C ATOM 367 OD1 ASP A 49 2.618 -10.306 -3.343 1.00 0.00 O ATOM 368 OD2 ASP A 49 0.510 -11.024 -3.520 1.00 0.00 O ATOM 0 H ASP A 49 2.644 -7.030 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 49 0.029 -7.191 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.092 -8.798 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.552 -8.307 -4.665 1.00 0.00 H new ATOM 373 N LYS A 50 1.889 -9.089 -0.798 1.00 0.00 N ATOM 374 CA LYS A 50 1.992 -9.906 0.404 1.00 0.00 C ATOM 375 C LYS A 50 2.503 -9.111 1.606 1.00 0.00 C ATOM 376 O LYS A 50 2.738 -9.696 2.661 1.00 0.00 O ATOM 377 CB LYS A 50 2.854 -11.133 0.089 1.00 0.00 C ATOM 378 CG LYS A 50 1.969 -12.211 -0.556 1.00 0.00 C ATOM 379 CD LYS A 50 2.705 -13.154 -1.516 1.00 0.00 C ATOM 380 CE LYS A 50 3.905 -13.889 -0.905 1.00 0.00 C ATOM 381 NZ LYS A 50 5.073 -13.002 -0.719 1.00 0.00 N ATOM 0 H LYS A 50 2.802 -8.891 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 50 0.998 -10.243 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.667 -10.860 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.311 -11.517 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.509 -12.805 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.160 -11.721 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.997 -13.893 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.049 -12.578 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.617 -14.313 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.184 -14.723 -1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.948 -13.548 -0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.036 -12.229 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.057 -12.604 0.242 1.00 0.00 H new ATOM 395 N ALA A 51 2.696 -7.795 1.470 1.00 0.00 N ATOM 396 CA ALA A 51 3.104 -6.952 2.582 1.00 0.00 C ATOM 397 C ALA A 51 2.217 -7.190 3.798 1.00 0.00 C ATOM 398 O ALA A 51 2.727 -7.192 4.905 1.00 0.00 O ATOM 399 CB ALA A 51 3.094 -5.479 2.194 1.00 0.00 C ATOM 0 H ALA A 51 2.573 -7.294 0.590 1.00 0.00 H new ATOM 0 HA ALA A 51 4.127 -7.224 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.404 -4.876 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.783 -5.316 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.088 -5.189 1.891 1.00 0.00 H new ATOM 405 N GLY A 52 0.920 -7.459 3.611 1.00 0.00 N ATOM 406 CA GLY A 52 0.025 -7.816 4.701 1.00 0.00 C ATOM 407 C GLY A 52 0.488 -9.013 5.541 1.00 0.00 C ATOM 408 O GLY A 52 0.146 -9.114 6.718 1.00 0.00 O ATOM 0 H GLY A 52 0.468 -7.433 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.091 -6.952 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.959 -8.038 4.288 1.00 0.00 H new ATOM 412 N ALA A 53 1.214 -9.960 4.938 1.00 0.00 N ATOM 413 CA ALA A 53 1.826 -11.069 5.661 1.00 0.00 C ATOM 414 C ALA A 53 3.057 -10.578 6.417 1.00 0.00 C ATOM 415 O ALA A 53 3.271 -10.941 7.571 1.00 0.00 O ATOM 416 CB ALA A 53 2.233 -12.191 4.697 1.00 0.00 C ATOM 0 H ALA A 53 1.391 -9.975 3.934 1.00 0.00 H new ATOM 0 HA ALA A 53 1.094 -11.463 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.687 -13.007 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.351 -12.558 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.951 -11.806 3.973 1.00 0.00 H new ATOM 422 N ASN A 54 3.891 -9.784 5.744 1.00 0.00 N ATOM 423 CA ASN A 54 5.196 -9.385 6.262 1.00 0.00 C ATOM 424 C ASN A 54 5.065 -8.350 7.377 1.00 0.00 C ATOM 425 O ASN A 54 5.842 -8.375 8.330 1.00 0.00 O ATOM 426 CB ASN A 54 6.060 -8.817 5.129 1.00 0.00 C ATOM 427 CG ASN A 54 6.499 -9.898 4.147 1.00 0.00 C ATOM 428 OD1 ASN A 54 5.912 -10.069 3.083 1.00 0.00 O ATOM 429 ND2 ASN A 54 7.543 -10.646 4.497 1.00 0.00 N ATOM 0 H ASN A 54 3.678 -9.400 4.823 1.00 0.00 H new ATOM 0 HA ASN A 54 5.673 -10.272 6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.499 -8.049 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.940 -8.333 5.552 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.874 -11.383 3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.012 -10.482 5.388 1.00 0.00 H new ATOM 436 N TYR A 55 4.119 -7.424 7.230 1.00 0.00 N ATOM 437 CA TYR A 55 3.922 -6.252 8.070 1.00 0.00 C ATOM 438 C TYR A 55 2.423 -6.129 8.354 1.00 0.00 C ATOM 439 O TYR A 55 1.607 -6.605 7.567 1.00 0.00 O ATOM 440 CB TYR A 55 4.423 -4.996 7.339 1.00 0.00 C ATOM 441 CG TYR A 55 5.769 -5.093 6.637 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.901 -5.579 7.318 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.906 -4.609 5.322 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.143 -5.647 6.662 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.157 -4.641 4.683 1.00 0.00 C ATOM 446 CZ TYR A 55 8.279 -5.155 5.353 1.00 0.00 C ATOM 447 OH TYR A 55 9.496 -5.190 4.741 1.00 0.00 O ATOM 0 H TYR A 55 3.432 -7.478 6.478 1.00 0.00 H new ATOM 0 HA TYR A 55 4.479 -6.351 9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.675 -4.715 6.598 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.477 -4.182 8.062 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.816 -5.900 8.346 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.046 -4.212 4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.995 -6.079 7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.256 -4.269 3.674 1.00 0.00 H new ATOM 0 HH TYR A 55 9.442 -4.728 3.879 1.00 0.00 H new ATOM 457 N SER A 56 2.050 -5.499 9.469 1.00 0.00 N ATOM 458 CA SER A 56 0.647 -5.345 9.844 1.00 0.00 C ATOM 459 C SER A 56 0.065 -4.056 9.254 1.00 0.00 C ATOM 460 O SER A 56 0.799 -3.220 8.724 1.00 0.00 O ATOM 461 CB SER A 56 0.515 -5.441 11.368 1.00 0.00 C ATOM 462 OG SER A 56 0.945 -6.731 11.764 1.00 0.00 O ATOM 0 H SER A 56 2.706 -5.085 10.131 1.00 0.00 H new ATOM 0 HA SER A 56 0.052 -6.154 9.420 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.118 -4.673 11.852 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.518 -5.274 11.672 1.00 0.00 H new ATOM 0 HG SER A 56 0.871 -6.816 12.738 1.00 0.00 H new ATOM 468 N GLU A 57 -1.263 -3.909 9.312 1.00 0.00 N ATOM 469 CA GLU A 57 -1.962 -2.784 8.707 1.00 0.00 C ATOM 470 C GLU A 57 -1.362 -1.449 9.174 1.00 0.00 C ATOM 471 O GLU A 57 -1.075 -0.589 8.348 1.00 0.00 O ATOM 472 CB GLU A 57 -3.481 -2.925 8.911 1.00 0.00 C ATOM 473 CG GLU A 57 -3.948 -2.985 10.374 1.00 0.00 C ATOM 474 CD GLU A 57 -4.678 -1.706 10.763 1.00 0.00 C ATOM 475 OE1 GLU A 57 -4.053 -0.636 10.614 1.00 0.00 O ATOM 476 OE2 GLU A 57 -5.856 -1.824 11.161 1.00 0.00 O ATOM 0 H GLU A 57 -1.879 -4.572 9.782 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.815 -2.790 7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.975 -2.084 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.816 -3.829 8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.607 -3.842 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.089 -3.132 11.029 1.00 0.00 H new ATOM 483 N GLU A 58 -1.070 -1.326 10.470 1.00 0.00 N ATOM 484 CA GLU A 58 -0.401 -0.181 11.073 1.00 0.00 C ATOM 485 C GLU A 58 0.880 0.221 10.323 1.00 0.00 C ATOM 486 O GLU A 58 1.012 1.358 9.871 1.00 0.00 O ATOM 487 CB GLU A 58 -0.160 -0.503 12.557 1.00 0.00 C ATOM 488 CG GLU A 58 0.630 -1.804 12.794 1.00 0.00 C ATOM 489 CD GLU A 58 0.029 -2.636 13.915 1.00 0.00 C ATOM 490 OE1 GLU A 58 0.274 -2.289 15.089 1.00 0.00 O ATOM 491 OE2 GLU A 58 -0.672 -3.609 13.558 1.00 0.00 O ATOM 0 H GLU A 58 -1.303 -2.050 11.150 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.038 0.700 10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.379 0.326 13.016 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.122 -0.577 13.063 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.647 -2.391 11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.665 -1.561 13.037 1.00 0.00 H new ATOM 498 N GLU A 59 1.816 -0.717 10.157 1.00 0.00 N ATOM 499 CA GLU A 59 3.080 -0.507 9.462 1.00 0.00 C ATOM 500 C GLU A 59 2.817 0.055 8.064 1.00 0.00 C ATOM 501 O GLU A 59 3.430 1.031 7.635 1.00 0.00 O ATOM 502 CB GLU A 59 3.807 -1.856 9.352 1.00 0.00 C ATOM 503 CG GLU A 59 4.255 -2.425 10.705 1.00 0.00 C ATOM 504 CD GLU A 59 5.636 -1.908 11.088 1.00 0.00 C ATOM 505 OE1 GLU A 59 6.610 -2.477 10.549 1.00 0.00 O ATOM 506 OE2 GLU A 59 5.692 -0.958 11.895 1.00 0.00 O ATOM 0 H GLU A 59 1.709 -1.667 10.513 1.00 0.00 H new ATOM 0 HA GLU A 59 3.694 0.204 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.149 -2.575 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.680 -1.737 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.534 -2.150 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.271 -3.514 10.658 1.00 0.00 H new ATOM 513 N ILE A 60 1.894 -0.583 7.344 1.00 0.00 N ATOM 514 CA ILE A 60 1.564 -0.233 5.971 1.00 0.00 C ATOM 515 C ILE A 60 0.989 1.183 5.948 1.00 0.00 C ATOM 516 O ILE A 60 1.444 2.025 5.178 1.00 0.00 O ATOM 517 CB ILE A 60 0.613 -1.292 5.383 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.362 -2.625 5.203 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.007 -0.840 4.045 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.427 -3.836 5.252 1.00 0.00 C ATOM 0 H ILE A 60 1.350 -1.366 7.706 1.00 0.00 H new ATOM 0 HA ILE A 60 2.451 -0.231 5.338 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.210 -1.426 6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.889 -2.616 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.117 -2.722 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.657 -1.616 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.558 0.080 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.806 -0.663 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.007 -4.749 5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.081 -3.865 6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.312 -3.757 4.455 1.00 0.00 H new ATOM 532 N LEU A 61 0.007 1.451 6.809 1.00 0.00 N ATOM 533 CA LEU A 61 -0.630 2.747 6.965 1.00 0.00 C ATOM 534 C LEU A 61 0.425 3.827 7.144 1.00 0.00 C ATOM 535 O LEU A 61 0.472 4.797 6.382 1.00 0.00 O ATOM 536 CB LEU A 61 -1.559 2.704 8.185 1.00 0.00 C ATOM 537 CG LEU A 61 -2.349 3.995 8.442 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.047 4.506 7.182 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.393 3.727 9.531 1.00 0.00 C ATOM 0 H LEU A 61 -0.376 0.743 7.436 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.213 2.979 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.264 1.883 8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.963 2.478 9.069 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.645 4.764 8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.593 5.421 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.303 4.712 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.744 3.750 6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.961 4.637 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.070 2.940 9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.892 3.413 10.446 1.00 0.00 H new ATOM 551 N ASP A 62 1.288 3.639 8.146 1.00 0.00 N ATOM 552 CA ASP A 62 2.326 4.615 8.409 1.00 0.00 C ATOM 553 C ASP A 62 3.201 4.742 7.169 1.00 0.00 C ATOM 554 O ASP A 62 3.456 5.851 6.721 1.00 0.00 O ATOM 555 CB ASP A 62 3.129 4.296 9.681 1.00 0.00 C ATOM 556 CG ASP A 62 2.824 5.301 10.790 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.338 6.438 10.686 1.00 0.00 O ATOM 558 OD2 ASP A 62 2.062 4.933 11.708 1.00 0.00 O ATOM 0 H ASP A 62 1.283 2.834 8.772 1.00 0.00 H new ATOM 0 HA ASP A 62 1.865 5.581 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.890 3.289 10.023 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.195 4.311 9.455 1.00 0.00 H new ATOM 563 N ILE A 63 3.609 3.634 6.552 1.00 0.00 N ATOM 564 CA ILE A 63 4.482 3.692 5.381 1.00 0.00 C ATOM 565 C ILE A 63 3.838 4.499 4.247 1.00 0.00 C ATOM 566 O ILE A 63 4.522 5.289 3.603 1.00 0.00 O ATOM 567 CB ILE A 63 4.916 2.272 4.963 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.170 1.889 5.771 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.176 2.159 3.455 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.537 0.405 5.670 1.00 0.00 C ATOM 0 H ILE A 63 3.351 2.691 6.841 1.00 0.00 H new ATOM 0 HA ILE A 63 5.394 4.230 5.640 1.00 0.00 H new ATOM 0 HB ILE A 63 4.103 1.579 5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.012 2.487 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.009 2.144 6.818 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.479 1.140 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.265 2.406 2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.969 2.850 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.430 0.210 6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.712 -0.200 6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.731 0.148 4.629 1.00 0.00 H new ATOM 582 N ILE A 64 2.537 4.337 4.000 1.00 0.00 N ATOM 583 CA ILE A 64 1.827 5.129 3.000 1.00 0.00 C ATOM 584 C ILE A 64 1.910 6.610 3.358 1.00 0.00 C ATOM 585 O ILE A 64 2.263 7.454 2.531 1.00 0.00 O ATOM 586 CB ILE A 64 0.363 4.670 2.909 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.320 3.238 2.363 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.459 5.610 2.014 1.00 0.00 C ATOM 589 CD1 ILE A 64 -1.056 2.607 2.578 1.00 0.00 C ATOM 0 H ILE A 64 1.951 3.657 4.485 1.00 0.00 H new ATOM 0 HA ILE A 64 2.293 4.982 2.026 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.078 4.697 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.558 3.244 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.081 2.634 2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.490 5.260 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.436 6.618 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.035 5.620 1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.057 1.592 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.281 2.580 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.812 3.199 2.062 1.00 0.00 H new ATOM 601 N LEU A 65 1.538 6.938 4.594 1.00 0.00 N ATOM 602 CA LEU A 65 1.463 8.321 5.026 1.00 0.00 C ATOM 603 C LEU A 65 2.860 8.973 5.059 1.00 0.00 C ATOM 604 O LEU A 65 2.992 10.149 4.732 1.00 0.00 O ATOM 605 CB LEU A 65 0.776 8.374 6.393 1.00 0.00 C ATOM 606 CG LEU A 65 -0.689 7.880 6.420 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.063 7.529 7.864 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.638 8.971 5.926 1.00 0.00 C ATOM 0 H LEU A 65 1.284 6.259 5.311 1.00 0.00 H new ATOM 0 HA LEU A 65 0.873 8.895 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.356 7.776 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.801 9.402 6.754 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.778 7.010 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.095 7.179 7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.401 6.744 8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.959 8.414 8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.663 8.601 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.551 9.847 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.378 9.244 4.903 1.00 0.00 H new ATOM 620 N ASN A 66 3.888 8.214 5.454 1.00 0.00 N ATOM 621 CA ASN A 66 5.251 8.676 5.730 1.00 0.00 C ATOM 622 C ASN A 66 6.126 8.617 4.480 1.00 0.00 C ATOM 623 O ASN A 66 6.768 9.603 4.127 1.00 0.00 O ATOM 624 CB ASN A 66 5.913 7.801 6.808 1.00 0.00 C ATOM 625 CG ASN A 66 5.457 8.118 8.231 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.197 8.710 9.010 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.251 7.689 8.574 1.00 0.00 N ATOM 0 H ASN A 66 3.785 7.209 5.597 1.00 0.00 H new ATOM 0 HA ASN A 66 5.169 9.708 6.072 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.699 6.754 6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.994 7.924 6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.903 7.847 9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.670 7.201 7.892 1.00 0.00 H new ATOM 634 N GLY A 67 6.170 7.447 3.836 1.00 0.00 N ATOM 635 CA GLY A 67 7.098 7.119 2.765 1.00 0.00 C ATOM 636 C GLY A 67 8.163 6.152 3.281 1.00 0.00 C ATOM 637 O GLY A 67 8.989 6.529 4.110 1.00 0.00 O ATOM 0 H GLY A 67 5.536 6.680 4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.560 6.670 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.570 8.027 2.389 1.00 0.00 H new ATOM 641 N GLN A 68 8.152 4.898 2.806 1.00 0.00 N ATOM 642 CA GLN A 68 9.263 3.969 3.009 1.00 0.00 C ATOM 643 C GLN A 68 10.551 4.600 2.439 1.00 0.00 C ATOM 644 O GLN A 68 10.493 5.427 1.531 1.00 0.00 O ATOM 645 CB GLN A 68 8.918 2.614 2.344 1.00 0.00 C ATOM 646 CG GLN A 68 10.094 1.668 2.100 1.00 0.00 C ATOM 647 CD GLN A 68 10.856 1.154 3.310 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.113 1.882 4.265 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.275 -0.104 3.247 1.00 0.00 N ATOM 0 H GLN A 68 7.376 4.505 2.274 1.00 0.00 H new ATOM 0 HA GLN A 68 9.430 3.778 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.188 2.100 2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.434 2.814 1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.720 0.805 1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.804 2.178 1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.042 -0.679 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.830 -0.495 4.008 1.00 0.00 H new ATOM 658 N GLY A 69 11.724 4.211 2.942 1.00 0.00 N ATOM 659 CA GLY A 69 13.020 4.689 2.476 1.00 0.00 C ATOM 660 C GLY A 69 13.270 4.362 0.999 1.00 0.00 C ATOM 661 O GLY A 69 13.876 3.344 0.683 1.00 0.00 O ATOM 0 H GLY A 69 11.797 3.537 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.079 5.768 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.808 4.242 3.082 1.00 0.00 H new ATOM 665 N GLY A 70 12.809 5.248 0.113 1.00 0.00 N ATOM 666 CA GLY A 70 12.889 5.163 -1.345 1.00 0.00 C ATOM 667 C GLY A 70 11.565 5.544 -2.025 1.00 0.00 C ATOM 668 O GLY A 70 11.522 5.752 -3.236 1.00 0.00 O ATOM 0 H GLY A 70 12.339 6.101 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.681 5.821 -1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.164 4.148 -1.633 1.00 0.00 H new ATOM 672 N MET A 71 10.480 5.645 -1.251 1.00 0.00 N ATOM 673 CA MET A 71 9.116 5.872 -1.684 1.00 0.00 C ATOM 674 C MET A 71 8.637 7.214 -1.122 1.00 0.00 C ATOM 675 O MET A 71 8.733 7.417 0.086 1.00 0.00 O ATOM 676 CB MET A 71 8.315 4.732 -1.058 1.00 0.00 C ATOM 677 CG MET A 71 6.802 4.837 -1.194 1.00 0.00 C ATOM 678 SD MET A 71 6.002 3.418 -0.411 1.00 0.00 S ATOM 679 CE MET A 71 4.471 4.208 0.151 1.00 0.00 C ATOM 0 H MET A 71 10.547 5.563 -0.236 1.00 0.00 H new ATOM 0 HA MET A 71 9.011 5.899 -2.769 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.638 3.794 -1.510 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.563 4.677 0.002 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.452 5.761 -0.733 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.527 4.882 -2.248 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.833 3.465 0.630 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.709 4.997 0.865 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.948 4.638 -0.704 1.00 0.00 H new ATOM 689 N PRO A 72 8.079 8.121 -1.937 1.00 0.00 N ATOM 690 CA PRO A 72 7.436 9.310 -1.413 1.00 0.00 C ATOM 691 C PRO A 72 6.148 8.896 -0.696 1.00 0.00 C ATOM 692 O PRO A 72 5.402 8.055 -1.197 1.00 0.00 O ATOM 693 CB PRO A 72 7.173 10.202 -2.629 1.00 0.00 C ATOM 694 CG PRO A 72 7.076 9.226 -3.804 1.00 0.00 C ATOM 695 CD PRO A 72 7.885 8.000 -3.371 1.00 0.00 C ATOM 0 HA PRO A 72 8.040 9.849 -0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.253 10.774 -2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.979 10.921 -2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.039 8.961 -4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.482 9.665 -4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.355 7.079 -3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.843 7.964 -3.891 1.00 0.00 H new ATOM 703 N GLY A 73 5.887 9.462 0.484 1.00 0.00 N ATOM 704 CA GLY A 73 4.680 9.198 1.237 1.00 0.00 C ATOM 705 C GLY A 73 3.611 10.235 0.931 1.00 0.00 C ATOM 706 O GLY A 73 3.784 11.119 0.093 1.00 0.00 O ATOM 0 H GLY A 73 6.519 10.121 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.306 8.203 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.904 9.204 2.304 1.00 0.00 H new ATOM 710 N GLY A 74 2.485 10.108 1.626 1.00 0.00 N ATOM 711 CA GLY A 74 1.344 11.003 1.495 1.00 0.00 C ATOM 712 C GLY A 74 0.648 10.864 0.138 1.00 0.00 C ATOM 713 O GLY A 74 -0.196 11.687 -0.208 1.00 0.00 O ATOM 0 H GLY A 74 2.339 9.365 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.629 10.795 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.676 12.033 1.627 1.00 0.00 H new ATOM 717 N ILE A 75 0.964 9.803 -0.611 1.00 0.00 N ATOM 718 CA ILE A 75 0.343 9.465 -1.887 1.00 0.00 C ATOM 719 C ILE A 75 -1.163 9.259 -1.704 1.00 0.00 C ATOM 720 O ILE A 75 -1.950 9.512 -2.629 1.00 0.00 O ATOM 721 CB ILE A 75 1.045 8.213 -2.450 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.473 8.598 -2.878 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.264 7.579 -3.611 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.262 7.400 -3.404 1.00 0.00 C ATOM 0 H ILE A 75 1.684 9.136 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 75 0.460 10.279 -2.603 1.00 0.00 H new ATOM 0 HB ILE A 75 1.087 7.454 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.424 9.366 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.000 9.033 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.799 6.701 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.726 7.283 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.164 8.302 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.262 7.722 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.336 6.642 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.751 6.980 -4.271 1.00 0.00 H new ATOM 736 N ALA A 76 -1.541 8.784 -0.512 1.00 0.00 N ATOM 737 CA ALA A 76 -2.909 8.646 -0.070 1.00 0.00 C ATOM 738 C ALA A 76 -2.939 9.076 1.393 1.00 0.00 C ATOM 739 O ALA A 76 -1.924 8.896 2.071 1.00 0.00 O ATOM 740 CB ALA A 76 -3.339 7.185 -0.228 1.00 0.00 C ATOM 0 H ALA A 76 -0.867 8.477 0.189 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.596 9.258 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.371 7.072 0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.260 6.894 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.692 6.548 0.375 1.00 0.00 H new ATOM 746 N LYS A 77 -4.043 9.654 1.883 1.00 0.00 N ATOM 747 CA LYS A 77 -4.147 10.097 3.268 1.00 0.00 C ATOM 748 C LYS A 77 -5.515 9.811 3.897 1.00 0.00 C ATOM 749 O LYS A 77 -6.528 9.690 3.213 1.00 0.00 O ATOM 750 CB LYS A 77 -3.808 11.589 3.362 1.00 0.00 C ATOM 751 CG LYS A 77 -2.313 11.879 3.146 1.00 0.00 C ATOM 752 CD LYS A 77 -1.822 13.062 3.997 1.00 0.00 C ATOM 753 CE LYS A 77 -1.574 12.627 5.453 1.00 0.00 C ATOM 754 NZ LYS A 77 -1.173 13.752 6.325 1.00 0.00 N ATOM 0 H LYS A 77 -4.882 9.825 1.329 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.426 9.517 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.390 12.136 2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.108 11.963 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.733 10.990 3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.135 12.093 2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.902 13.464 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.561 13.863 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.480 12.170 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.797 11.863 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.019 13.403 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.293 14.174 5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.924 14.471 6.332 1.00 0.00 H new ATOM 768 N GLY A 78 -5.533 9.721 5.231 1.00 0.00 N ATOM 769 CA GLY A 78 -6.734 9.450 6.006 1.00 0.00 C ATOM 770 C GLY A 78 -7.399 8.164 5.525 1.00 0.00 C ATOM 771 O GLY A 78 -6.700 7.210 5.173 1.00 0.00 O ATOM 0 H GLY A 78 -4.698 9.837 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.481 9.363 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.430 10.284 5.913 1.00 0.00 H new ATOM 775 N ALA A 79 -8.736 8.173 5.440 1.00 0.00 N ATOM 776 CA ALA A 79 -9.568 7.066 4.983 1.00 0.00 C ATOM 777 C ALA A 79 -8.980 6.348 3.765 1.00 0.00 C ATOM 778 O ALA A 79 -9.081 5.129 3.661 1.00 0.00 O ATOM 779 CB ALA A 79 -10.978 7.574 4.674 1.00 0.00 C ATOM 0 H ALA A 79 -9.286 8.991 5.701 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.607 6.333 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.597 6.744 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.415 8.006 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.928 8.334 3.894 1.00 0.00 H new ATOM 785 N GLU A 80 -8.369 7.103 2.850 1.00 0.00 N ATOM 786 CA GLU A 80 -7.665 6.580 1.693 1.00 0.00 C ATOM 787 C GLU A 80 -6.602 5.562 2.149 1.00 0.00 C ATOM 788 O GLU A 80 -6.678 4.379 1.816 1.00 0.00 O ATOM 789 CB GLU A 80 -7.064 7.784 0.950 1.00 0.00 C ATOM 790 CG GLU A 80 -6.833 7.641 -0.560 1.00 0.00 C ATOM 791 CD GLU A 80 -6.077 8.854 -1.105 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.797 9.762 -0.286 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.739 8.836 -2.312 1.00 0.00 O ATOM 0 H GLU A 80 -8.354 8.122 2.901 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.328 6.043 1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.720 8.640 1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.108 8.023 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.267 6.732 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.790 7.542 -1.072 1.00 0.00 H new ATOM 800 N ALA A 81 -5.619 6.007 2.942 1.00 0.00 N ATOM 801 CA ALA A 81 -4.529 5.165 3.400 1.00 0.00 C ATOM 802 C ALA A 81 -5.038 4.101 4.373 1.00 0.00 C ATOM 803 O ALA A 81 -4.574 2.967 4.330 1.00 0.00 O ATOM 804 CB ALA A 81 -3.448 6.039 4.038 1.00 0.00 C ATOM 0 H ALA A 81 -5.566 6.968 3.280 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.094 4.640 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.628 5.409 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.074 6.751 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.871 6.581 4.884 1.00 0.00 H new ATOM 810 N GLU A 82 -5.988 4.450 5.243 1.00 0.00 N ATOM 811 CA GLU A 82 -6.584 3.517 6.195 1.00 0.00 C ATOM 812 C GLU A 82 -7.213 2.337 5.448 1.00 0.00 C ATOM 813 O GLU A 82 -6.969 1.172 5.769 1.00 0.00 O ATOM 814 CB GLU A 82 -7.638 4.253 7.028 1.00 0.00 C ATOM 815 CG GLU A 82 -7.051 5.390 7.881 1.00 0.00 C ATOM 816 CD GLU A 82 -8.121 6.397 8.290 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.283 5.967 8.448 1.00 0.00 O ATOM 818 OE2 GLU A 82 -7.766 7.591 8.394 1.00 0.00 O ATOM 0 H GLU A 82 -6.366 5.395 5.305 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.813 3.127 6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.397 4.662 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.139 3.539 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.584 4.972 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.267 5.899 7.320 1.00 0.00 H new ATOM 825 N ALA A 83 -8.019 2.644 4.428 1.00 0.00 N ATOM 826 CA ALA A 83 -8.626 1.633 3.583 1.00 0.00 C ATOM 827 C ALA A 83 -7.539 0.752 2.974 1.00 0.00 C ATOM 828 O ALA A 83 -7.638 -0.474 3.055 1.00 0.00 O ATOM 829 CB ALA A 83 -9.496 2.288 2.511 1.00 0.00 C ATOM 0 H ALA A 83 -8.264 3.600 4.172 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.277 0.998 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.944 1.517 1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.283 2.872 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.881 2.944 1.894 1.00 0.00 H new ATOM 835 N VAL A 84 -6.493 1.366 2.397 1.00 0.00 N ATOM 836 CA VAL A 84 -5.358 0.583 1.925 1.00 0.00 C ATOM 837 C VAL A 84 -4.854 -0.341 3.030 1.00 0.00 C ATOM 838 O VAL A 84 -4.714 -1.528 2.786 1.00 0.00 O ATOM 839 CB VAL A 84 -4.184 1.417 1.390 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.096 0.437 0.942 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.508 2.275 0.169 1.00 0.00 C ATOM 0 H VAL A 84 -6.416 2.373 2.252 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.739 0.010 1.080 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.896 2.091 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.242 0.993 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.779 -0.168 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.491 -0.213 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.618 2.826 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.835 1.634 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.303 2.978 0.419 1.00 0.00 H new ATOM 851 N ALA A 85 -4.540 0.186 4.213 1.00 0.00 N ATOM 852 CA ALA A 85 -3.945 -0.576 5.302 1.00 0.00 C ATOM 853 C ALA A 85 -4.706 -1.882 5.529 1.00 0.00 C ATOM 854 O ALA A 85 -4.131 -2.971 5.439 1.00 0.00 O ATOM 855 CB ALA A 85 -3.921 0.292 6.561 1.00 0.00 C ATOM 0 H ALA A 85 -4.695 1.168 4.442 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.921 -0.848 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.477 -0.270 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.330 1.188 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.939 0.578 6.826 1.00 0.00 H new ATOM 861 N ALA A 86 -6.015 -1.764 5.773 1.00 0.00 N ATOM 862 CA ALA A 86 -6.883 -2.916 5.972 1.00 0.00 C ATOM 863 C ALA A 86 -6.817 -3.865 4.771 1.00 0.00 C ATOM 864 O ALA A 86 -6.541 -5.053 4.922 1.00 0.00 O ATOM 865 CB ALA A 86 -8.316 -2.440 6.225 1.00 0.00 C ATOM 0 H ALA A 86 -6.496 -0.867 5.837 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.540 -3.473 6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.965 -3.303 6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.339 -1.811 7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.666 -1.867 5.367 1.00 0.00 H new ATOM 871 N TRP A 87 -7.068 -3.345 3.571 1.00 0.00 N ATOM 872 CA TRP A 87 -7.139 -4.150 2.356 1.00 0.00 C ATOM 873 C TRP A 87 -5.819 -4.884 2.069 1.00 0.00 C ATOM 874 O TRP A 87 -5.823 -6.075 1.778 1.00 0.00 O ATOM 875 CB TRP A 87 -7.569 -3.229 1.214 1.00 0.00 C ATOM 876 CG TRP A 87 -7.259 -3.676 -0.180 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.058 -4.351 -1.035 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.029 -3.429 -0.906 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.339 -4.673 -2.172 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.066 -4.139 -2.138 1.00 0.00 C ATOM 881 CE3 TRP A 87 -4.882 -2.668 -0.632 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -4.957 -4.168 -2.999 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -3.825 -2.611 -1.546 1.00 0.00 C ATOM 884 CH2 TRP A 87 -3.814 -3.442 -2.668 1.00 0.00 C ATOM 0 H TRP A 87 -7.228 -2.350 3.415 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.875 -4.945 2.475 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.646 -3.079 1.289 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.100 -2.257 1.369 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.094 -4.600 -0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -7.704 -5.235 -2.941 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.815 -2.120 0.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -4.989 -4.748 -3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.012 -1.919 -1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -2.925 -3.522 -3.276 1.00 0.00 H new ATOM 895 N LEU A 88 -4.681 -4.189 2.137 1.00 0.00 N ATOM 896 CA LEU A 88 -3.364 -4.766 1.881 1.00 0.00 C ATOM 897 C LEU A 88 -3.078 -5.836 2.933 1.00 0.00 C ATOM 898 O LEU A 88 -2.632 -6.933 2.602 1.00 0.00 O ATOM 899 CB LEU A 88 -2.260 -3.689 1.807 1.00 0.00 C ATOM 900 CG LEU A 88 -1.512 -3.710 0.461 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.878 -2.368 0.110 1.00 0.00 C ATOM 902 CD2 LEU A 88 -0.542 -4.858 0.294 1.00 0.00 C ATOM 0 H LEU A 88 -4.651 -3.198 2.375 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.365 -5.238 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.705 -2.705 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.549 -3.845 2.618 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.297 -3.895 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.366 -2.447 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.654 -1.605 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.161 -2.091 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.063 -4.790 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.217 -4.809 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.080 -5.803 0.369 1.00 0.00 H new ATOM 914 N ALA A 89 -3.398 -5.547 4.198 1.00 0.00 N ATOM 915 CA ALA A 89 -3.349 -6.546 5.259 1.00 0.00 C ATOM 916 C ALA A 89 -4.192 -7.769 4.895 1.00 0.00 C ATOM 917 O ALA A 89 -3.744 -8.900 5.057 1.00 0.00 O ATOM 918 CB ALA A 89 -3.748 -5.942 6.602 1.00 0.00 C ATOM 0 H ALA A 89 -3.695 -4.622 4.509 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.319 -6.888 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.702 -6.710 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.063 -5.132 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.764 -5.552 6.538 1.00 0.00 H new ATOM 924 N GLU A 90 -5.393 -7.545 4.366 1.00 0.00 N ATOM 925 CA GLU A 90 -6.321 -8.589 3.957 1.00 0.00 C ATOM 926 C GLU A 90 -5.873 -9.279 2.654 1.00 0.00 C ATOM 927 O GLU A 90 -6.403 -10.331 2.304 1.00 0.00 O ATOM 928 CB GLU A 90 -7.714 -7.949 3.842 1.00 0.00 C ATOM 929 CG GLU A 90 -8.862 -8.961 3.727 1.00 0.00 C ATOM 930 CD GLU A 90 -10.228 -8.282 3.734 1.00 0.00 C ATOM 931 OE1 GLU A 90 -10.285 -7.100 3.333 1.00 0.00 O ATOM 932 OE2 GLU A 90 -11.192 -8.963 4.142 1.00 0.00 O ATOM 0 H GLU A 90 -5.755 -6.605 4.207 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.347 -9.386 4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.886 -7.319 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.731 -7.296 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.748 -9.535 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.805 -9.669 4.554 1.00 0.00 H new ATOM 939 N LYS A 91 -4.878 -8.737 1.941 1.00 0.00 N ATOM 940 CA LYS A 91 -4.429 -9.284 0.664 1.00 0.00 C ATOM 941 C LYS A 91 -3.591 -10.554 0.893 1.00 0.00 C ATOM 942 O LYS A 91 -3.400 -11.344 -0.027 1.00 0.00 O ATOM 943 CB LYS A 91 -3.676 -8.170 -0.103 1.00 0.00 C ATOM 944 CG LYS A 91 -4.042 -7.981 -1.592 1.00 0.00 C ATOM 945 CD LYS A 91 -3.027 -8.519 -2.618 1.00 0.00 C ATOM 946 CE LYS A 91 -2.786 -10.024 -2.448 1.00 0.00 C ATOM 947 NZ LYS A 91 -2.051 -10.654 -3.560 1.00 0.00 N ATOM 0 H LYS A 91 -4.364 -7.907 2.237 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.272 -9.597 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.850 -7.225 0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.608 -8.376 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.001 -8.466 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.184 -6.916 -1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.390 -8.321 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.083 -7.985 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.232 -10.188 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.749 -10.523 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.384 -11.631 -3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.216 -10.115 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.034 -10.661 -3.344 1.00 0.00 H new ATOM 961 N LYS A 92 -3.108 -10.765 2.119 1.00 0.00 N ATOM 962 CA LYS A 92 -1.977 -11.630 2.414 1.00 0.00 C ATOM 963 C LYS A 92 -2.282 -13.116 2.198 1.00 0.00 C ATOM 964 O LYS A 92 -3.419 -13.533 2.508 1.00 0.00 O ATOM 965 CB LYS A 92 -1.604 -11.394 3.877 1.00 0.00 C ATOM 966 CG LYS A 92 -2.711 -11.801 4.863 1.00 0.00 C ATOM 967 CD LYS A 92 -2.338 -11.350 6.277 1.00 0.00 C ATOM 968 CE LYS A 92 -3.558 -11.390 7.201 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.195 -10.993 8.575 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.339 -13.818 1.769 1.00 0.00 O ATOM 0 H LYS A 92 -3.506 -10.326 2.950 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.163 -11.385 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.698 -11.954 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.371 -10.339 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.658 -11.351 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.851 -12.882 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.554 -11.995 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.933 -10.339 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.330 -10.723 6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.980 -12.395 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.039 -11.028 9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.475 -11.645 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.815 -10.025 8.568 1.00 0.00 H new TER 984 LYS A 92 HETATM 985 FE HEC A 93 5.346 1.783 -2.022 1.00 0.00 FE HETATM 986 CHA HEC A 93 7.876 0.217 -0.309 1.00 0.00 C HETATM 987 CHB HEC A 93 3.017 0.480 0.143 1.00 0.00 C HETATM 988 CHC HEC A 93 2.992 3.739 -3.543 1.00 0.00 C HETATM 989 CHD HEC A 93 7.729 2.903 -4.353 1.00 0.00 C HETATM 990 NA HEC A 93 5.436 0.621 -0.336 1.00 0.00 N HETATM 991 C1A HEC A 93 6.577 0.106 0.170 1.00 0.00 C HETATM 992 C2A HEC A 93 6.235 -0.681 1.322 1.00 0.00 C HETATM 993 C3A HEC A 93 4.865 -0.641 1.461 1.00 0.00 C HETATM 994 C4A HEC A 93 4.361 0.192 0.388 1.00 0.00 C HETATM 995 CMA HEC A 93 4.047 -1.344 2.516 1.00 0.00 C HETATM 996 CAA HEC A 93 7.253 -1.437 2.138 1.00 0.00 C HETATM 997 CBA HEC A 93 7.899 -2.578 1.355 1.00 0.00 C HETATM 998 CGA HEC A 93 9.343 -2.771 1.800 1.00 0.00 C HETATM 999 O1A HEC A 93 10.154 -1.871 1.486 1.00 0.00 O HETATM 1000 O2A HEC A 93 9.598 -3.789 2.478 1.00 0.00 O HETATM 1001 NB HEC A 93 3.370 2.017 -1.788 1.00 0.00 N HETATM 1002 C1B HEC A 93 2.614 1.365 -0.857 1.00 0.00 C HETATM 1003 C2B HEC A 93 1.252 1.777 -1.058 1.00 0.00 C HETATM 1004 C3B HEC A 93 1.243 2.755 -2.030 1.00 0.00 C HETATM 1005 C4B HEC A 93 2.601 2.888 -2.505 1.00 0.00 C HETATM 1006 CMB HEC A 93 0.055 1.210 -0.353 1.00 0.00 C HETATM 1007 CAB HEC A 93 0.014 3.338 -2.691 1.00 0.00 C HETATM 1008 CBB HEC A 93 -0.864 4.236 -1.807 1.00 0.00 C HETATM 1009 NC HEC A 93 5.369 3.124 -3.639 1.00 0.00 N HETATM 1010 C1C HEC A 93 4.277 3.795 -4.067 1.00 0.00 C HETATM 1011 C2C HEC A 93 4.643 4.530 -5.256 1.00 0.00 C HETATM 1012 C3C HEC A 93 5.991 4.330 -5.464 1.00 0.00 C HETATM 1013 C4C HEC A 93 6.436 3.401 -4.449 1.00 0.00 C HETATM 1014 CMC HEC A 93 3.670 5.120 -6.248 1.00 0.00 C HETATM 1015 CAC HEC A 93 6.815 4.850 -6.634 1.00 0.00 C HETATM 1016 CBC HEC A 93 6.987 6.371 -6.685 1.00 0.00 C HETATM 1017 ND HEC A 93 7.430 1.603 -2.275 1.00 0.00 N HETATM 1018 C1D HEC A 93 8.156 2.093 -3.313 1.00 0.00 C HETATM 1019 C2D HEC A 93 9.508 1.609 -3.173 1.00 0.00 C HETATM 1020 C3D HEC A 93 9.578 0.957 -1.959 1.00 0.00 C HETATM 1021 C4D HEC A 93 8.231 0.896 -1.453 1.00 0.00 C HETATM 1022 CMD HEC A 93 10.569 1.705 -4.241 1.00 0.00 C HETATM 1023 CAD HEC A 93 10.795 0.454 -1.200 1.00 0.00 C HETATM 1024 CBD HEC A 93 12.074 1.295 -1.313 1.00 0.00 C HETATM 1025 CGD HEC A 93 12.985 0.857 -2.451 1.00 0.00 C HETATM 1026 O1D HEC A 93 13.030 -0.366 -2.709 1.00 0.00 O HETATM 1027 O2D HEC A 93 13.606 1.756 -3.057 1.00 0.00 O HETATM 0 HMD3 HEC A 93 10.239 1.169 -5.131 1.00 0.00 H new HETATM 0 HMD2 HEC A 93 10.740 2.752 -4.491 1.00 0.00 H new HETATM 0 HMD1 HEC A 93 11.496 1.264 -3.874 1.00 0.00 H new HETATM 0 HMC3 HEC A 93 3.057 4.325 -6.673 1.00 0.00 H new HETATM 0 HMC2 HEC A 93 3.029 5.843 -5.743 1.00 0.00 H new HETATM 0 HMC1 HEC A 93 4.221 5.619 -7.046 1.00 0.00 H new HETATM 0 HMB3 HEC A 93 -0.019 0.143 -0.563 1.00 0.00 H new HETATM 0 HMB2 HEC A 93 0.160 1.362 0.721 1.00 0.00 H new HETATM 0 HMB1 HEC A 93 -0.846 1.713 -0.704 1.00 0.00 H new HETATM 0 HMA3 HEC A 93 4.205 -2.420 2.442 1.00 0.00 H new HETATM 0 HMA2 HEC A 93 4.354 -1.000 3.504 1.00 0.00 H new HETATM 0 HMA1 HEC A 93 2.991 -1.121 2.366 1.00 0.00 H new HETATM 0 HBD2 HEC A 93 11.801 2.340 -1.457 1.00 0.00 H new HETATM 0 HBD1 HEC A 93 12.624 1.236 -0.374 1.00 0.00 H new HETATM 0 HBC3 HEC A 93 6.009 6.846 -6.760 1.00 0.00 H new HETATM 0 HBC2 HEC A 93 7.487 6.711 -5.778 1.00 0.00 H new HETATM 0 HBC1 HEC A 93 7.588 6.640 -7.553 1.00 0.00 H new HETATM 0 HBB3 HEC A 93 -1.223 3.664 -0.951 1.00 0.00 H new HETATM 0 HBB2 HEC A 93 -0.278 5.085 -1.456 1.00 0.00 H new HETATM 0 HBB1 HEC A 93 -1.714 4.596 -2.386 1.00 0.00 H new HETATM 0 HBA2 HEC A 93 7.337 -3.499 1.510 1.00 0.00 H new HETATM 0 HBA1 HEC A 93 7.866 -2.360 0.287 1.00 0.00 H new HETATM 0 HAD2 HEC A 93 10.530 0.377 -0.145 1.00 0.00 H new HETATM 0 HAD1 HEC A 93 11.019 -0.555 -1.547 1.00 0.00 H new HETATM 0 HAA2 HEC A 93 8.027 -0.748 2.476 1.00 0.00 H new HETATM 0 HAA1 HEC A 93 6.773 -1.839 3.030 1.00 0.00 H new HETATM 0 HHD HEC A 93 8.443 3.162 -5.135 1.00 0.00 H new HETATM 0 HHC HEC A 93 2.239 4.402 -3.969 1.00 0.00 H new HETATM 0 HHB HEC A 93 2.256 -0.004 0.755 1.00 0.00 H new HETATM 0 HHA HEC A 93 8.670 -0.267 0.260 1.00 0.00 H new HETATM 0 H2D HEC A 93 14.313 1.354 -3.603 1.00 0.00 H new HETATM 0 H2A HEC A 93 10.569 -3.912 2.532 1.00 0.00 H new