USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0364 F(o=-1,f=-0.036) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= 0.0179 X(o=0.018,f=-0.19) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -72:sc= 1.22 USER MOD Single : A 43 ASN : amide:sc= -2.16! C(o=-2.2!,f=-12!) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= -0.031 (180deg=-0.205) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 29:sc= 0.146 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.0024) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= 0.419 (180deg=-0.505!) USER MOD Single : A 57 MET CE :methyl -173:sc= -2.28! (180deg=-2.47!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0397) USER MOD Single : A 73 MET CE :methyl 171:sc= -5.67! (180deg=-5.82!) USER MOD Single : A 74 ASN : amide:sc= 1.14 K(o=1.1,f=-0.24) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.517 K(o=-0.52,f=-2.8!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 148:sc= -0.306 (180deg=-1.31!) USER MOD Single : A 94 THR OG1 : rot 169:sc= -3.52! USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= -1.08 (180deg=-1.28) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= 0.733 (180deg=0.239) USER MOD Single : A 99 ASN : amide:sc= 0.134 X(o=0.13,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 25 15.339 -1.263 5.874 1.00 2.19 N ATOM 2 CA LEU A 25 15.641 -1.052 4.439 1.00 2.00 C ATOM 3 C LEU A 25 16.289 0.310 4.242 1.00 2.03 C ATOM 4 O LEU A 25 16.025 1.244 4.999 1.00 2.16 O ATOM 5 CB LEU A 25 14.366 -1.130 3.584 1.00 1.86 C ATOM 6 CG LEU A 25 13.599 -2.460 3.625 1.00 1.84 C ATOM 7 CD1 LEU A 25 12.756 -2.575 4.888 1.00 2.04 C ATOM 8 CD2 LEU A 25 12.727 -2.606 2.388 1.00 2.35 C ATOM 0 HA LEU A 25 16.323 -1.841 4.121 1.00 2.00 H new ATOM 0 HB2 LEU A 25 13.691 -0.336 3.903 1.00 1.86 H new ATOM 0 HB3 LEU A 25 14.635 -0.922 2.548 1.00 1.86 H new ATOM 0 HG LEU A 25 14.330 -3.269 3.638 1.00 1.84 H new ATOM 0 HD11 LEU A 25 12.226 -3.527 4.886 1.00 2.04 H new ATOM 0 HD12 LEU A 25 13.403 -2.522 5.763 1.00 2.04 H new ATOM 0 HD13 LEU A 25 12.035 -1.758 4.920 1.00 2.04 H new ATOM 0 HD21 LEU A 25 12.190 -3.553 2.431 1.00 2.35 H new ATOM 0 HD22 LEU A 25 12.012 -1.785 2.348 1.00 2.35 H new ATOM 0 HD23 LEU A 25 13.354 -2.585 1.496 1.00 2.35 H new ATOM 22 N SER A 26 17.128 0.426 3.225 1.00 2.05 N ATOM 23 CA SER A 26 17.806 1.684 2.948 1.00 2.13 C ATOM 24 C SER A 26 17.048 2.487 1.892 1.00 1.83 C ATOM 25 O SER A 26 16.023 2.036 1.375 1.00 1.63 O ATOM 26 CB SER A 26 19.241 1.424 2.488 1.00 2.37 C ATOM 27 OG SER A 26 19.910 0.557 3.390 1.00 2.73 O ATOM 0 H SER A 26 17.356 -0.331 2.580 1.00 2.05 H new ATOM 0 HA SER A 26 17.833 2.268 3.868 1.00 2.13 H new ATOM 0 HB2 SER A 26 19.234 0.984 1.491 1.00 2.37 H new ATOM 0 HB3 SER A 26 19.781 2.368 2.416 1.00 2.37 H new ATOM 0 HG SER A 26 20.826 0.402 3.077 1.00 2.73 H new ATOM 33 N GLU A 27 17.561 3.670 1.573 1.00 1.84 N ATOM 34 CA GLU A 27 16.924 4.567 0.614 1.00 1.64 C ATOM 35 C GLU A 27 16.725 3.899 -0.738 1.00 1.38 C ATOM 36 O GLU A 27 15.722 4.140 -1.396 1.00 1.18 O ATOM 37 CB GLU A 27 17.750 5.842 0.454 1.00 1.82 C ATOM 38 CG GLU A 27 17.534 6.857 1.565 1.00 2.09 C ATOM 39 CD GLU A 27 17.617 6.252 2.951 1.00 2.19 C ATOM 40 OE1 GLU A 27 18.718 5.817 3.345 1.00 2.66 O ATOM 41 OE2 GLU A 27 16.586 6.228 3.656 1.00 2.50 O ATOM 0 H GLU A 27 18.427 4.034 1.970 1.00 1.84 H new ATOM 0 HA GLU A 27 15.939 4.822 1.006 1.00 1.64 H new ATOM 0 HB2 GLU A 27 18.807 5.577 0.417 1.00 1.82 H new ATOM 0 HB3 GLU A 27 17.504 6.305 -0.501 1.00 1.82 H new ATOM 0 HG2 GLU A 27 18.279 7.648 1.476 1.00 2.09 H new ATOM 0 HG3 GLU A 27 16.557 7.323 1.437 1.00 2.09 H new ATOM 48 N GLU A 28 17.672 3.061 -1.142 1.00 1.45 N ATOM 49 CA GLU A 28 17.561 2.310 -2.394 1.00 1.33 C ATOM 50 C GLU A 28 16.257 1.513 -2.443 1.00 1.15 C ATOM 51 O GLU A 28 15.509 1.567 -3.423 1.00 1.01 O ATOM 52 CB GLU A 28 18.752 1.362 -2.540 1.00 1.59 C ATOM 53 CG GLU A 28 18.983 0.480 -1.320 1.00 1.83 C ATOM 54 CD GLU A 28 20.177 -0.435 -1.475 1.00 2.29 C ATOM 55 OE1 GLU A 28 21.227 0.025 -1.960 1.00 2.57 O ATOM 56 OE2 GLU A 28 20.069 -1.623 -1.113 1.00 2.53 O ATOM 0 H GLU A 28 18.530 2.882 -0.621 1.00 1.45 H new ATOM 0 HA GLU A 28 17.559 3.022 -3.219 1.00 1.33 H new ATOM 0 HB2 GLU A 28 18.596 0.727 -3.412 1.00 1.59 H new ATOM 0 HB3 GLU A 28 19.651 1.948 -2.729 1.00 1.59 H new ATOM 0 HG2 GLU A 28 19.126 1.111 -0.443 1.00 1.83 H new ATOM 0 HG3 GLU A 28 18.092 -0.121 -1.138 1.00 1.83 H new ATOM 63 N GLN A 29 15.986 0.792 -1.367 1.00 1.23 N ATOM 64 CA GLN A 29 14.797 -0.018 -1.255 1.00 1.11 C ATOM 65 C GLN A 29 13.574 0.870 -1.096 1.00 0.88 C ATOM 66 O GLN A 29 12.472 0.526 -1.511 1.00 0.73 O ATOM 67 CB GLN A 29 14.945 -0.942 -0.054 1.00 1.29 C ATOM 68 CG GLN A 29 16.137 -1.876 -0.146 1.00 1.88 C ATOM 69 CD GLN A 29 16.018 -2.880 -1.281 1.00 2.64 C ATOM 70 OE1 GLN A 29 14.798 -3.298 -1.586 1.00 3.15 O flip ATOM 71 NE2 GLN A 29 17.016 -3.287 -1.872 1.00 3.30 N flip ATOM 0 H GLN A 29 16.591 0.756 -0.547 1.00 1.23 H new ATOM 0 HA GLN A 29 14.668 -0.614 -2.158 1.00 1.11 H new ATOM 0 HB2 GLN A 29 15.037 -0.338 0.849 1.00 1.29 H new ATOM 0 HB3 GLN A 29 14.037 -1.536 0.051 1.00 1.29 H new ATOM 0 HG2 GLN A 29 17.044 -1.287 -0.283 1.00 1.88 H new ATOM 0 HG3 GLN A 29 16.245 -2.413 0.797 1.00 1.88 H new ATOM 0 HE21 GLN A 29 17.940 -2.943 -1.610 1.00 3.30 H new ATOM 0 HE22 GLN A 29 16.920 -3.969 -2.624 1.00 3.30 H new ATOM 80 N LYS A 30 13.793 2.024 -0.493 1.00 0.95 N ATOM 81 CA LYS A 30 12.750 3.017 -0.335 1.00 0.92 C ATOM 82 C LYS A 30 12.399 3.653 -1.660 1.00 0.75 C ATOM 83 O LYS A 30 11.275 4.102 -1.856 1.00 0.72 O ATOM 84 CB LYS A 30 13.191 4.088 0.653 1.00 1.20 C ATOM 85 CG LYS A 30 12.904 3.699 2.080 1.00 1.50 C ATOM 86 CD LYS A 30 13.678 4.541 3.082 1.00 1.83 C ATOM 87 CE LYS A 30 13.267 5.997 3.030 1.00 1.97 C ATOM 88 NZ LYS A 30 14.007 6.808 4.027 1.00 2.57 N ATOM 0 H LYS A 30 14.694 2.297 -0.101 1.00 0.95 H new ATOM 0 HA LYS A 30 11.862 2.516 0.050 1.00 0.92 H new ATOM 0 HB2 LYS A 30 14.259 4.270 0.536 1.00 1.20 H new ATOM 0 HB3 LYS A 30 12.681 5.024 0.424 1.00 1.20 H new ATOM 0 HG2 LYS A 30 11.836 3.801 2.273 1.00 1.50 H new ATOM 0 HG3 LYS A 30 13.155 2.648 2.224 1.00 1.50 H new ATOM 0 HD2 LYS A 30 13.513 4.153 4.087 1.00 1.83 H new ATOM 0 HD3 LYS A 30 14.746 4.457 2.879 1.00 1.83 H new ATOM 0 HE2 LYS A 30 13.450 6.392 2.031 1.00 1.97 H new ATOM 0 HE3 LYS A 30 12.196 6.080 3.215 1.00 1.97 H new ATOM 0 HZ1 LYS A 30 13.677 7.793 3.987 1.00 2.57 H new ATOM 0 HZ2 LYS A 30 13.840 6.425 4.979 1.00 2.57 H new ATOM 0 HZ3 LYS A 30 15.025 6.775 3.815 1.00 2.57 H new ATOM 102 N GLN A 31 13.360 3.690 -2.567 1.00 0.77 N ATOM 103 CA GLN A 31 13.141 4.306 -3.858 1.00 0.75 C ATOM 104 C GLN A 31 12.027 3.595 -4.603 1.00 0.64 C ATOM 105 O GLN A 31 11.048 4.217 -4.988 1.00 0.75 O ATOM 106 CB GLN A 31 14.414 4.314 -4.713 1.00 0.87 C ATOM 107 CG GLN A 31 15.538 5.179 -4.162 1.00 1.12 C ATOM 108 CD GLN A 31 15.083 6.577 -3.794 1.00 1.93 C ATOM 109 OE1 GLN A 31 15.071 7.477 -4.629 1.00 2.61 O ATOM 110 NE2 GLN A 31 14.731 6.772 -2.533 1.00 2.55 N ATOM 0 H GLN A 31 14.294 3.302 -2.432 1.00 0.77 H new ATOM 0 HA GLN A 31 12.853 5.341 -3.676 1.00 0.75 H new ATOM 0 HB2 GLN A 31 14.776 3.291 -4.813 1.00 0.87 H new ATOM 0 HB3 GLN A 31 14.162 4.662 -5.715 1.00 0.87 H new ATOM 0 HG2 GLN A 31 15.962 4.697 -3.281 1.00 1.12 H new ATOM 0 HG3 GLN A 31 16.335 5.245 -4.903 1.00 1.12 H new ATOM 0 HE21 GLN A 31 14.755 5.996 -1.871 1.00 2.55 H new ATOM 0 HE22 GLN A 31 14.435 7.698 -2.223 1.00 2.55 H new ATOM 119 N GLU A 32 12.168 2.284 -4.768 1.00 0.58 N ATOM 120 CA GLU A 32 11.185 1.495 -5.507 1.00 0.62 C ATOM 121 C GLU A 32 9.809 1.544 -4.845 1.00 0.56 C ATOM 122 O GLU A 32 8.793 1.724 -5.517 1.00 0.62 O ATOM 123 CB GLU A 32 11.647 0.043 -5.651 1.00 0.77 C ATOM 124 CG GLU A 32 12.159 -0.592 -4.370 1.00 1.09 C ATOM 125 CD GLU A 32 12.621 -2.017 -4.581 1.00 1.90 C ATOM 126 OE1 GLU A 32 11.772 -2.929 -4.562 1.00 2.03 O ATOM 127 OE2 GLU A 32 13.841 -2.234 -4.750 1.00 2.77 O ATOM 0 H GLU A 32 12.952 1.745 -4.401 1.00 0.58 H new ATOM 0 HA GLU A 32 11.098 1.937 -6.499 1.00 0.62 H new ATOM 0 HB2 GLU A 32 10.816 -0.552 -6.028 1.00 0.77 H new ATOM 0 HB3 GLU A 32 12.436 0.000 -6.402 1.00 0.77 H new ATOM 0 HG2 GLU A 32 12.985 0.001 -3.978 1.00 1.09 H new ATOM 0 HG3 GLU A 32 11.370 -0.576 -3.618 1.00 1.09 H new ATOM 134 N ILE A 33 9.789 1.374 -3.532 1.00 0.51 N ATOM 135 CA ILE A 33 8.551 1.432 -2.760 1.00 0.51 C ATOM 136 C ILE A 33 7.861 2.793 -2.899 1.00 0.50 C ATOM 137 O ILE A 33 6.685 2.874 -3.250 1.00 0.54 O ATOM 138 CB ILE A 33 8.817 1.128 -1.269 1.00 0.53 C ATOM 139 CG1 ILE A 33 9.316 -0.311 -1.116 1.00 0.59 C ATOM 140 CG2 ILE A 33 7.567 1.354 -0.432 1.00 0.55 C ATOM 141 CD1 ILE A 33 9.570 -0.721 0.319 1.00 0.68 C ATOM 0 H ILE A 33 10.622 1.193 -2.972 1.00 0.51 H new ATOM 0 HA ILE A 33 7.885 0.670 -3.164 1.00 0.51 H new ATOM 0 HB ILE A 33 9.585 1.812 -0.907 1.00 0.53 H new ATOM 0 HG12 ILE A 33 8.582 -0.988 -1.553 1.00 0.59 H new ATOM 0 HG13 ILE A 33 10.238 -0.429 -1.686 1.00 0.59 H new ATOM 0 HG21 ILE A 33 7.784 1.132 0.613 1.00 0.55 H new ATOM 0 HG22 ILE A 33 7.250 2.393 -0.524 1.00 0.55 H new ATOM 0 HG23 ILE A 33 6.770 0.699 -0.784 1.00 0.55 H new ATOM 0 HD11 ILE A 33 9.921 -1.753 0.346 1.00 0.68 H new ATOM 0 HD12 ILE A 33 10.326 -0.069 0.755 1.00 0.68 H new ATOM 0 HD13 ILE A 33 8.646 -0.637 0.890 1.00 0.68 H new ATOM 153 N LYS A 34 8.605 3.861 -2.655 1.00 0.53 N ATOM 154 CA LYS A 34 8.033 5.203 -2.684 1.00 0.60 C ATOM 155 C LYS A 34 7.738 5.657 -4.094 1.00 0.54 C ATOM 156 O LYS A 34 6.850 6.484 -4.312 1.00 0.59 O ATOM 157 CB LYS A 34 8.969 6.199 -2.054 1.00 0.76 C ATOM 158 CG LYS A 34 9.153 5.998 -0.569 1.00 1.13 C ATOM 159 CD LYS A 34 9.732 7.239 0.054 1.00 1.13 C ATOM 160 CE LYS A 34 11.210 7.390 -0.267 1.00 1.48 C ATOM 161 NZ LYS A 34 11.722 8.737 0.109 1.00 1.85 N ATOM 0 H LYS A 34 9.601 3.828 -2.436 1.00 0.53 H new ATOM 0 HA LYS A 34 7.101 5.154 -2.121 1.00 0.60 H new ATOM 0 HB2 LYS A 34 9.940 6.133 -2.544 1.00 0.76 H new ATOM 0 HB3 LYS A 34 8.589 7.205 -2.232 1.00 0.76 H new ATOM 0 HG2 LYS A 34 8.195 5.762 -0.105 1.00 1.13 H new ATOM 0 HG3 LYS A 34 9.813 5.149 -0.388 1.00 1.13 H new ATOM 0 HD2 LYS A 34 9.190 8.114 -0.305 1.00 1.13 H new ATOM 0 HD3 LYS A 34 9.596 7.201 1.135 1.00 1.13 H new ATOM 0 HE2 LYS A 34 11.777 6.625 0.263 1.00 1.48 H new ATOM 0 HE3 LYS A 34 11.369 7.225 -1.333 1.00 1.48 H new ATOM 0 HZ1 LYS A 34 12.733 8.802 -0.125 1.00 1.85 H new ATOM 0 HZ2 LYS A 34 11.198 9.466 -0.415 1.00 1.85 H new ATOM 0 HZ3 LYS A 34 11.593 8.885 1.130 1.00 1.85 H new ATOM 175 N GLU A 35 8.508 5.138 -5.033 1.00 0.52 N ATOM 176 CA GLU A 35 8.282 5.384 -6.442 1.00 0.58 C ATOM 177 C GLU A 35 6.823 5.105 -6.775 1.00 0.53 C ATOM 178 O GLU A 35 6.199 5.830 -7.543 1.00 0.58 O ATOM 179 CB GLU A 35 9.200 4.478 -7.258 1.00 0.72 C ATOM 180 CG GLU A 35 9.118 4.691 -8.748 1.00 1.17 C ATOM 181 CD GLU A 35 9.725 6.003 -9.197 1.00 1.51 C ATOM 182 OE1 GLU A 35 10.964 6.143 -9.120 1.00 1.97 O ATOM 183 OE2 GLU A 35 8.971 6.882 -9.665 1.00 2.02 O ATOM 0 H GLU A 35 9.307 4.534 -4.838 1.00 0.52 H new ATOM 0 HA GLU A 35 8.503 6.424 -6.683 1.00 0.58 H new ATOM 0 HB2 GLU A 35 10.229 4.638 -6.936 1.00 0.72 H new ATOM 0 HB3 GLU A 35 8.955 3.439 -7.037 1.00 0.72 H new ATOM 0 HG2 GLU A 35 9.627 3.871 -9.254 1.00 1.17 H new ATOM 0 HG3 GLU A 35 8.073 4.657 -9.056 1.00 1.17 H new ATOM 190 N ALA A 36 6.289 4.060 -6.152 1.00 0.47 N ATOM 191 CA ALA A 36 4.896 3.696 -6.308 1.00 0.45 C ATOM 192 C ALA A 36 4.012 4.408 -5.284 1.00 0.39 C ATOM 193 O ALA A 36 2.849 4.692 -5.562 1.00 0.40 O ATOM 194 CB ALA A 36 4.733 2.187 -6.190 1.00 0.52 C ATOM 0 H ALA A 36 6.813 3.447 -5.528 1.00 0.47 H new ATOM 0 HA ALA A 36 4.575 4.014 -7.300 1.00 0.45 H new ATOM 0 HB1 ALA A 36 3.682 1.924 -6.309 1.00 0.52 H new ATOM 0 HB2 ALA A 36 5.320 1.696 -6.966 1.00 0.52 H new ATOM 0 HB3 ALA A 36 5.080 1.859 -5.210 1.00 0.52 H new ATOM 200 N PHE A 37 4.560 4.727 -4.108 1.00 0.38 N ATOM 201 CA PHE A 37 3.772 5.331 -3.052 1.00 0.36 C ATOM 202 C PHE A 37 3.212 6.671 -3.504 1.00 0.37 C ATOM 203 O PHE A 37 1.996 6.863 -3.560 1.00 0.42 O ATOM 204 CB PHE A 37 4.622 5.512 -1.800 1.00 0.37 C ATOM 205 CG PHE A 37 3.853 6.070 -0.647 1.00 0.39 C ATOM 206 CD1 PHE A 37 2.904 5.302 0.001 1.00 0.44 C ATOM 207 CD2 PHE A 37 4.078 7.362 -0.212 1.00 0.52 C ATOM 208 CE1 PHE A 37 2.188 5.813 1.058 1.00 0.52 C ATOM 209 CE2 PHE A 37 3.364 7.881 0.846 1.00 0.61 C ATOM 210 CZ PHE A 37 2.418 7.104 1.485 1.00 0.58 C ATOM 0 H PHE A 37 5.541 4.575 -3.873 1.00 0.38 H new ATOM 0 HA PHE A 37 2.938 4.668 -2.820 1.00 0.36 H new ATOM 0 HB2 PHE A 37 5.047 4.550 -1.514 1.00 0.37 H new ATOM 0 HB3 PHE A 37 5.457 6.175 -2.027 1.00 0.37 H new ATOM 0 HD1 PHE A 37 2.723 4.289 -0.327 1.00 0.44 H new ATOM 0 HD2 PHE A 37 4.821 7.971 -0.706 1.00 0.52 H new ATOM 0 HE1 PHE A 37 1.446 5.204 1.553 1.00 0.52 H new ATOM 0 HE2 PHE A 37 3.544 8.894 1.175 1.00 0.61 H new ATOM 0 HZ PHE A 37 1.860 7.506 2.317 1.00 0.58 H new ATOM 220 N ASP A 38 4.109 7.585 -3.852 1.00 0.39 N ATOM 221 CA ASP A 38 3.710 8.904 -4.320 1.00 0.46 C ATOM 222 C ASP A 38 3.084 8.808 -5.702 1.00 0.44 C ATOM 223 O ASP A 38 2.256 9.642 -6.077 1.00 0.53 O ATOM 224 CB ASP A 38 4.904 9.860 -4.343 1.00 0.57 C ATOM 225 CG ASP A 38 5.359 10.252 -2.951 1.00 1.20 C ATOM 226 OD1 ASP A 38 4.791 11.210 -2.385 1.00 1.20 O ATOM 227 OD2 ASP A 38 6.292 9.611 -2.418 1.00 2.10 O ATOM 0 H ASP A 38 5.118 7.436 -3.819 1.00 0.39 H new ATOM 0 HA ASP A 38 2.969 9.301 -3.626 1.00 0.46 H new ATOM 0 HB2 ASP A 38 5.732 9.390 -4.874 1.00 0.57 H new ATOM 0 HB3 ASP A 38 4.636 10.757 -4.901 1.00 0.57 H new ATOM 232 N LEU A 39 3.489 7.783 -6.453 1.00 0.40 N ATOM 233 CA LEU A 39 2.895 7.485 -7.751 1.00 0.43 C ATOM 234 C LEU A 39 1.384 7.354 -7.649 1.00 0.46 C ATOM 235 O LEU A 39 0.647 7.931 -8.443 1.00 0.55 O ATOM 236 CB LEU A 39 3.475 6.180 -8.303 1.00 0.46 C ATOM 237 CG LEU A 39 2.852 5.668 -9.599 1.00 0.53 C ATOM 238 CD1 LEU A 39 3.054 6.676 -10.708 1.00 1.27 C ATOM 239 CD2 LEU A 39 3.444 4.317 -9.982 1.00 1.09 C ATOM 0 H LEU A 39 4.233 7.142 -6.179 1.00 0.40 H new ATOM 0 HA LEU A 39 3.129 8.311 -8.422 1.00 0.43 H new ATOM 0 HB2 LEU A 39 4.543 6.321 -8.467 1.00 0.46 H new ATOM 0 HB3 LEU A 39 3.369 5.407 -7.542 1.00 0.46 H new ATOM 0 HG LEU A 39 1.781 5.535 -9.443 1.00 0.53 H new ATOM 0 HD11 LEU A 39 2.606 6.300 -11.628 1.00 1.27 H new ATOM 0 HD12 LEU A 39 2.582 7.619 -10.433 1.00 1.27 H new ATOM 0 HD13 LEU A 39 4.121 6.837 -10.864 1.00 1.27 H new ATOM 0 HD21 LEU A 39 2.987 3.969 -10.908 1.00 1.09 H new ATOM 0 HD22 LEU A 39 4.520 4.418 -10.124 1.00 1.09 H new ATOM 0 HD23 LEU A 39 3.249 3.596 -9.188 1.00 1.09 H new ATOM 251 N PHE A 40 0.924 6.589 -6.673 1.00 0.48 N ATOM 252 CA PHE A 40 -0.495 6.316 -6.550 1.00 0.58 C ATOM 253 C PHE A 40 -1.190 7.330 -5.644 1.00 0.55 C ATOM 254 O PHE A 40 -2.325 7.710 -5.916 1.00 0.63 O ATOM 255 CB PHE A 40 -0.719 4.888 -6.060 1.00 0.74 C ATOM 256 CG PHE A 40 -0.158 3.848 -6.997 1.00 0.55 C ATOM 257 CD1 PHE A 40 -0.563 3.786 -8.320 1.00 0.92 C ATOM 258 CD2 PHE A 40 0.773 2.925 -6.547 1.00 0.74 C ATOM 259 CE1 PHE A 40 -0.053 2.825 -9.176 1.00 1.38 C ATOM 260 CE2 PHE A 40 1.288 1.964 -7.397 1.00 1.01 C ATOM 261 CZ PHE A 40 0.884 1.940 -8.739 1.00 1.36 C ATOM 0 H PHE A 40 1.508 6.150 -5.961 1.00 0.48 H new ATOM 0 HA PHE A 40 -0.944 6.415 -7.538 1.00 0.58 H new ATOM 0 HB2 PHE A 40 -0.259 4.770 -5.079 1.00 0.74 H new ATOM 0 HB3 PHE A 40 -1.788 4.717 -5.934 1.00 0.74 H new ATOM 0 HD1 PHE A 40 -1.287 4.497 -8.689 1.00 0.92 H new ATOM 0 HD2 PHE A 40 1.101 2.957 -5.518 1.00 0.74 H new ATOM 0 HE1 PHE A 40 -0.401 2.777 -10.197 1.00 1.38 H new ATOM 0 HE2 PHE A 40 1.997 1.237 -7.030 1.00 1.01 H new ATOM 0 HZ PHE A 40 1.314 1.223 -9.423 1.00 1.36 H new ATOM 271 N ASP A 41 -0.496 7.787 -4.593 1.00 0.53 N ATOM 272 CA ASP A 41 -1.019 8.839 -3.691 1.00 0.58 C ATOM 273 C ASP A 41 -1.579 10.007 -4.496 1.00 0.69 C ATOM 274 O ASP A 41 -2.580 10.626 -4.129 1.00 1.27 O ATOM 275 CB ASP A 41 0.101 9.328 -2.756 1.00 0.65 C ATOM 276 CG ASP A 41 -0.223 10.636 -2.043 1.00 0.86 C ATOM 277 OD1 ASP A 41 -0.866 10.601 -0.971 1.00 1.23 O ATOM 278 OD2 ASP A 41 0.189 11.708 -2.545 1.00 1.32 O ATOM 0 H ASP A 41 0.432 7.448 -4.340 1.00 0.53 H new ATOM 0 HA ASP A 41 -1.826 8.417 -3.093 1.00 0.58 H new ATOM 0 HB2 ASP A 41 0.302 8.558 -2.011 1.00 0.65 H new ATOM 0 HB3 ASP A 41 1.015 9.457 -3.335 1.00 0.65 H new ATOM 283 N THR A 42 -0.934 10.229 -5.624 1.00 0.79 N ATOM 284 CA THR A 42 -1.280 11.273 -6.593 1.00 0.92 C ATOM 285 C THR A 42 -1.800 12.569 -5.985 1.00 1.07 C ATOM 286 O THR A 42 -2.794 13.119 -6.462 1.00 1.16 O ATOM 287 CB THR A 42 -2.303 10.754 -7.624 1.00 0.95 C ATOM 288 OG1 THR A 42 -3.327 9.988 -6.975 1.00 1.00 O ATOM 289 CG2 THR A 42 -1.625 9.899 -8.673 1.00 1.08 C ATOM 0 H THR A 42 -0.127 9.674 -5.909 1.00 0.79 H new ATOM 0 HA THR A 42 -0.333 11.517 -7.075 1.00 0.92 H new ATOM 0 HB THR A 42 -2.754 11.619 -8.110 1.00 0.95 H new ATOM 0 HG1 THR A 42 -2.958 9.127 -6.687 1.00 1.00 H new ATOM 0 HG21 THR A 42 -2.367 9.545 -9.389 1.00 1.08 H new ATOM 0 HG22 THR A 42 -0.872 10.491 -9.194 1.00 1.08 H new ATOM 0 HG23 THR A 42 -1.147 9.045 -8.193 1.00 1.08 H new ATOM 297 N ASN A 43 -1.128 13.093 -4.972 1.00 1.32 N ATOM 298 CA ASN A 43 -1.485 14.415 -4.489 1.00 1.61 C ATOM 299 C ASN A 43 -0.303 15.135 -3.836 1.00 1.76 C ATOM 300 O ASN A 43 0.202 16.096 -4.417 1.00 2.46 O ATOM 301 CB ASN A 43 -2.730 14.376 -3.583 1.00 1.71 C ATOM 302 CG ASN A 43 -2.513 13.770 -2.210 1.00 2.12 C ATOM 303 OD1 ASN A 43 -2.200 14.475 -1.249 1.00 2.53 O ATOM 304 ND2 ASN A 43 -2.686 12.467 -2.104 1.00 2.70 N ATOM 0 H ASN A 43 -0.357 12.640 -4.482 1.00 1.32 H new ATOM 0 HA ASN A 43 -1.754 15.010 -5.362 1.00 1.61 H new ATOM 0 HB2 ASN A 43 -3.101 15.393 -3.459 1.00 1.71 H new ATOM 0 HB3 ASN A 43 -3.512 13.812 -4.092 1.00 1.71 H new ATOM 0 HD21 ASN A 43 -2.561 12.008 -1.202 1.00 2.70 H new ATOM 0 HD22 ASN A 43 -2.945 11.919 -2.924 1.00 2.70 H new ATOM 311 N LYS A 44 0.166 14.668 -2.673 1.00 1.55 N ATOM 312 CA LYS A 44 1.212 15.380 -1.928 1.00 1.81 C ATOM 313 C LYS A 44 1.397 14.780 -0.534 1.00 1.50 C ATOM 314 O LYS A 44 2.519 14.494 -0.116 1.00 1.91 O ATOM 315 CB LYS A 44 0.844 16.871 -1.792 1.00 2.48 C ATOM 316 CG LYS A 44 2.020 17.810 -1.540 1.00 3.08 C ATOM 317 CD LYS A 44 2.530 17.745 -0.106 1.00 3.52 C ATOM 318 CE LYS A 44 1.467 18.179 0.895 1.00 3.55 C ATOM 319 NZ LYS A 44 1.006 19.572 0.656 1.00 3.97 N ATOM 0 H LYS A 44 -0.158 13.808 -2.230 1.00 1.55 H new ATOM 0 HA LYS A 44 2.145 15.279 -2.482 1.00 1.81 H new ATOM 0 HB2 LYS A 44 0.335 17.188 -2.703 1.00 2.48 H new ATOM 0 HB3 LYS A 44 0.131 16.980 -0.975 1.00 2.48 H new ATOM 0 HG2 LYS A 44 2.833 17.558 -2.222 1.00 3.08 H new ATOM 0 HG3 LYS A 44 1.718 18.832 -1.768 1.00 3.08 H new ATOM 0 HD2 LYS A 44 2.848 16.727 0.120 1.00 3.52 H new ATOM 0 HD3 LYS A 44 3.408 18.383 -0.003 1.00 3.52 H new ATOM 0 HE2 LYS A 44 0.616 17.501 0.835 1.00 3.55 H new ATOM 0 HE3 LYS A 44 1.868 18.099 1.906 1.00 3.55 H new ATOM 0 HZ1 LYS A 44 0.443 19.895 1.468 1.00 3.97 H new ATOM 0 HZ2 LYS A 44 1.830 20.195 0.536 1.00 3.97 H new ATOM 0 HZ3 LYS A 44 0.422 19.602 -0.204 1.00 3.97 H new ATOM 333 N THR A 45 0.285 14.592 0.175 1.00 1.26 N ATOM 334 CA THR A 45 0.320 14.272 1.600 1.00 1.25 C ATOM 335 C THR A 45 1.005 12.933 1.884 1.00 1.10 C ATOM 336 O THR A 45 1.793 12.833 2.824 1.00 1.73 O ATOM 337 CB THR A 45 -1.102 14.288 2.224 1.00 1.42 C ATOM 338 OG1 THR A 45 -1.033 14.067 3.641 1.00 1.60 O ATOM 339 CG2 THR A 45 -2.003 13.239 1.597 1.00 1.55 C ATOM 0 H THR A 45 -0.655 14.656 -0.217 1.00 1.26 H new ATOM 0 HA THR A 45 0.916 15.054 2.070 1.00 1.25 H new ATOM 0 HB THR A 45 -1.528 15.272 2.026 1.00 1.42 H new ATOM 0 HG1 THR A 45 -1.937 14.082 4.019 1.00 1.60 H new ATOM 0 HG21 THR A 45 -2.989 13.282 2.060 1.00 1.55 H new ATOM 0 HG22 THR A 45 -2.096 13.431 0.528 1.00 1.55 H new ATOM 0 HG23 THR A 45 -1.572 12.250 1.752 1.00 1.55 H new ATOM 347 N GLY A 46 0.733 11.922 1.076 1.00 0.82 N ATOM 348 CA GLY A 46 1.303 10.620 1.333 1.00 0.77 C ATOM 349 C GLY A 46 0.386 9.756 2.171 1.00 0.64 C ATOM 350 O GLY A 46 0.779 9.242 3.218 1.00 0.67 O ATOM 0 H GLY A 46 0.133 11.979 0.253 1.00 0.82 H new ATOM 0 HA2 GLY A 46 1.507 10.120 0.386 1.00 0.77 H new ATOM 0 HA3 GLY A 46 2.259 10.737 1.844 1.00 0.77 H new ATOM 354 N SER A 47 -0.843 9.599 1.709 1.00 0.55 N ATOM 355 CA SER A 47 -1.815 8.763 2.390 1.00 0.54 C ATOM 356 C SER A 47 -2.579 7.949 1.367 1.00 0.49 C ATOM 357 O SER A 47 -3.077 8.493 0.380 1.00 0.55 O ATOM 358 CB SER A 47 -2.774 9.615 3.226 1.00 0.68 C ATOM 359 OG SER A 47 -3.507 10.512 2.410 1.00 1.33 O ATOM 0 H SER A 47 -1.192 10.043 0.860 1.00 0.55 H new ATOM 0 HA SER A 47 -1.292 8.089 3.069 1.00 0.54 H new ATOM 0 HB2 SER A 47 -3.463 8.967 3.768 1.00 0.68 H new ATOM 0 HB3 SER A 47 -2.211 10.176 3.972 1.00 0.68 H new ATOM 0 HG SER A 47 -3.619 10.125 1.517 1.00 1.33 H new ATOM 365 N ILE A 48 -2.679 6.655 1.593 1.00 0.45 N ATOM 366 CA ILE A 48 -3.272 5.776 0.609 1.00 0.45 C ATOM 367 C ILE A 48 -4.681 5.363 1.014 1.00 0.47 C ATOM 368 O ILE A 48 -4.908 4.883 2.127 1.00 0.52 O ATOM 369 CB ILE A 48 -2.407 4.518 0.385 1.00 0.51 C ATOM 370 CG1 ILE A 48 -0.986 4.906 -0.037 1.00 0.67 C ATOM 371 CG2 ILE A 48 -3.042 3.609 -0.654 1.00 1.11 C ATOM 372 CD1 ILE A 48 -0.928 5.751 -1.294 1.00 0.74 C ATOM 0 H ILE A 48 -2.359 6.192 2.444 1.00 0.45 H new ATOM 0 HA ILE A 48 -3.325 6.335 -0.325 1.00 0.45 H new ATOM 0 HB ILE A 48 -2.348 3.974 1.327 1.00 0.51 H new ATOM 0 HG12 ILE A 48 -0.512 5.452 0.778 1.00 0.67 H new ATOM 0 HG13 ILE A 48 -0.403 3.998 -0.194 1.00 0.67 H new ATOM 0 HG21 ILE A 48 -2.417 2.728 -0.797 1.00 1.11 H new ATOM 0 HG22 ILE A 48 -4.030 3.301 -0.313 1.00 1.11 H new ATOM 0 HG23 ILE A 48 -3.135 4.145 -1.598 1.00 1.11 H new ATOM 0 HD11 ILE A 48 0.111 5.985 -1.528 1.00 0.74 H new ATOM 0 HD12 ILE A 48 -1.372 5.200 -2.123 1.00 0.74 H new ATOM 0 HD13 ILE A 48 -1.481 6.677 -1.136 1.00 0.74 H new ATOM 384 N ASP A 49 -5.618 5.588 0.106 1.00 0.50 N ATOM 385 CA ASP A 49 -6.997 5.146 0.259 1.00 0.57 C ATOM 386 C ASP A 49 -7.206 3.937 -0.646 1.00 0.54 C ATOM 387 O ASP A 49 -6.367 3.668 -1.507 1.00 0.51 O ATOM 388 CB ASP A 49 -7.958 6.280 -0.131 1.00 0.71 C ATOM 389 CG ASP A 49 -9.424 5.905 -0.020 1.00 0.87 C ATOM 390 OD1 ASP A 49 -9.994 5.395 -1.006 1.00 0.87 O ATOM 391 OD2 ASP A 49 -10.009 6.106 1.065 1.00 1.51 O ATOM 0 H ASP A 49 -5.442 6.087 -0.766 1.00 0.50 H new ATOM 0 HA ASP A 49 -7.198 4.876 1.296 1.00 0.57 H new ATOM 0 HB2 ASP A 49 -7.764 7.143 0.506 1.00 0.71 H new ATOM 0 HB3 ASP A 49 -7.747 6.586 -1.156 1.00 0.71 H new ATOM 396 N TYR A 50 -8.303 3.206 -0.474 1.00 0.63 N ATOM 397 CA TYR A 50 -8.569 2.048 -1.321 1.00 0.68 C ATOM 398 C TYR A 50 -8.790 2.475 -2.774 1.00 0.67 C ATOM 399 O TYR A 50 -8.874 1.639 -3.673 1.00 0.75 O ATOM 400 CB TYR A 50 -9.755 1.221 -0.798 1.00 0.88 C ATOM 401 CG TYR A 50 -11.071 1.963 -0.703 1.00 1.36 C ATOM 402 CD1 TYR A 50 -11.377 2.727 0.416 1.00 1.76 C ATOM 403 CD2 TYR A 50 -11.990 1.922 -1.744 1.00 1.73 C ATOM 404 CE1 TYR A 50 -12.565 3.425 0.498 1.00 2.45 C ATOM 405 CE2 TYR A 50 -13.180 2.623 -1.671 1.00 2.37 C ATOM 406 CZ TYR A 50 -13.512 3.278 -0.512 1.00 2.72 C ATOM 407 OH TYR A 50 -14.642 4.077 -0.472 1.00 3.44 O ATOM 0 H TYR A 50 -9.014 3.391 0.234 1.00 0.63 H new ATOM 0 HA TYR A 50 -7.689 1.406 -1.286 1.00 0.68 H new ATOM 0 HB2 TYR A 50 -9.890 0.358 -1.450 1.00 0.88 H new ATOM 0 HB3 TYR A 50 -9.501 0.837 0.190 1.00 0.88 H new ATOM 0 HD1 TYR A 50 -10.674 2.776 1.235 1.00 1.76 H new ATOM 0 HD2 TYR A 50 -11.772 1.334 -2.623 1.00 1.73 H new ATOM 0 HE1 TYR A 50 -12.758 4.078 1.336 1.00 2.45 H new ATOM 0 HE2 TYR A 50 -13.844 2.655 -2.522 1.00 2.37 H new ATOM 0 HH TYR A 50 -15.217 3.870 -1.238 1.00 3.44 H new ATOM 417 N HIS A 51 -8.888 3.783 -2.990 1.00 0.68 N ATOM 418 CA HIS A 51 -8.929 4.356 -4.330 1.00 0.81 C ATOM 419 C HIS A 51 -7.652 4.015 -5.101 1.00 0.70 C ATOM 420 O HIS A 51 -7.687 3.278 -6.087 1.00 0.73 O ATOM 421 CB HIS A 51 -9.104 5.881 -4.234 1.00 1.08 C ATOM 422 CG HIS A 51 -9.134 6.594 -5.558 1.00 1.40 C ATOM 423 ND1 HIS A 51 -10.289 7.096 -6.116 1.00 2.17 N ATOM 424 CD2 HIS A 51 -8.136 6.918 -6.418 1.00 1.97 C ATOM 425 CE1 HIS A 51 -10.004 7.692 -7.257 1.00 2.73 C ATOM 426 NE2 HIS A 51 -8.707 7.600 -7.462 1.00 2.56 N ATOM 0 H HIS A 51 -8.941 4.474 -2.242 1.00 0.68 H new ATOM 0 HA HIS A 51 -9.775 3.931 -4.870 1.00 0.81 H new ATOM 0 HB2 HIS A 51 -10.031 6.094 -3.701 1.00 1.08 H new ATOM 0 HB3 HIS A 51 -8.290 6.290 -3.635 1.00 1.08 H new ATOM 0 HD2 HIS A 51 -7.088 6.683 -6.302 1.00 1.97 H new ATOM 0 HE1 HIS A 51 -10.714 8.174 -7.912 1.00 2.73 H new ATOM 0 HE2 HIS A 51 -8.207 7.976 -8.268 1.00 2.56 H new ATOM 435 N GLU A 52 -6.523 4.536 -4.635 1.00 0.68 N ATOM 436 CA GLU A 52 -5.258 4.351 -5.335 1.00 0.69 C ATOM 437 C GLU A 52 -4.490 3.150 -4.790 1.00 0.55 C ATOM 438 O GLU A 52 -3.438 2.789 -5.315 1.00 0.56 O ATOM 439 CB GLU A 52 -4.385 5.624 -5.311 1.00 0.92 C ATOM 440 CG GLU A 52 -4.189 6.272 -3.945 1.00 0.72 C ATOM 441 CD GLU A 52 -5.427 6.986 -3.449 1.00 0.85 C ATOM 442 OE1 GLU A 52 -5.639 8.155 -3.831 1.00 1.21 O ATOM 443 OE2 GLU A 52 -6.203 6.377 -2.694 1.00 1.19 O ATOM 0 H GLU A 52 -6.458 5.087 -3.779 1.00 0.68 H new ATOM 0 HA GLU A 52 -5.504 4.150 -6.378 1.00 0.69 H new ATOM 0 HB2 GLU A 52 -3.405 5.376 -5.718 1.00 0.92 H new ATOM 0 HB3 GLU A 52 -4.831 6.360 -5.980 1.00 0.92 H new ATOM 0 HG2 GLU A 52 -3.903 5.507 -3.223 1.00 0.72 H new ATOM 0 HG3 GLU A 52 -3.364 6.982 -4.000 1.00 0.72 H new ATOM 450 N LEU A 53 -5.013 2.519 -3.745 1.00 0.51 N ATOM 451 CA LEU A 53 -4.411 1.291 -3.244 1.00 0.48 C ATOM 452 C LEU A 53 -4.636 0.148 -4.220 1.00 0.42 C ATOM 453 O LEU A 53 -3.749 -0.671 -4.434 1.00 0.44 O ATOM 454 CB LEU A 53 -4.970 0.900 -1.874 1.00 0.55 C ATOM 455 CG LEU A 53 -4.323 -0.337 -1.244 1.00 0.59 C ATOM 456 CD1 LEU A 53 -2.829 -0.129 -1.060 1.00 1.23 C ATOM 457 CD2 LEU A 53 -4.980 -0.664 0.085 1.00 1.41 C ATOM 0 H LEU A 53 -5.839 2.832 -3.235 1.00 0.51 H new ATOM 0 HA LEU A 53 -3.343 1.481 -3.139 1.00 0.48 H new ATOM 0 HB2 LEU A 53 -4.848 1.743 -1.194 1.00 0.55 H new ATOM 0 HB3 LEU A 53 -6.041 0.722 -1.972 1.00 0.55 H new ATOM 0 HG LEU A 53 -4.471 -1.179 -1.920 1.00 0.59 H new ATOM 0 HD11 LEU A 53 -2.390 -1.020 -0.611 1.00 1.23 H new ATOM 0 HD12 LEU A 53 -2.365 0.055 -2.029 1.00 1.23 H new ATOM 0 HD13 LEU A 53 -2.659 0.727 -0.408 1.00 1.23 H new ATOM 0 HD21 LEU A 53 -4.507 -1.546 0.517 1.00 1.41 H new ATOM 0 HD22 LEU A 53 -4.865 0.180 0.765 1.00 1.41 H new ATOM 0 HD23 LEU A 53 -6.040 -0.861 -0.072 1.00 1.41 H new ATOM 469 N LYS A 54 -5.819 0.089 -4.826 1.00 0.44 N ATOM 470 CA LYS A 54 -6.132 -1.010 -5.729 1.00 0.47 C ATOM 471 C LYS A 54 -5.213 -1.006 -6.939 1.00 0.45 C ATOM 472 O LYS A 54 -4.714 -2.052 -7.335 1.00 0.55 O ATOM 473 CB LYS A 54 -7.589 -0.985 -6.184 1.00 0.59 C ATOM 474 CG LYS A 54 -8.589 -1.180 -5.060 1.00 1.36 C ATOM 475 CD LYS A 54 -10.001 -1.357 -5.596 1.00 1.61 C ATOM 476 CE LYS A 54 -10.063 -2.441 -6.663 1.00 1.79 C ATOM 477 NZ LYS A 54 -9.527 -3.742 -6.179 1.00 2.47 N ATOM 0 H LYS A 54 -6.563 0.777 -4.710 1.00 0.44 H new ATOM 0 HA LYS A 54 -5.972 -1.929 -5.165 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -7.790 -0.032 -6.674 1.00 0.59 H new ATOM 0 HB3 LYS A 54 -7.740 -1.765 -6.930 1.00 0.59 H new ATOM 0 HG2 LYS A 54 -8.310 -2.054 -4.471 1.00 1.36 H new ATOM 0 HG3 LYS A 54 -8.558 -0.321 -4.390 1.00 1.36 H new ATOM 0 HD2 LYS A 54 -10.672 -1.613 -4.777 1.00 1.61 H new ATOM 0 HD3 LYS A 54 -10.353 -0.414 -6.014 1.00 1.61 H new ATOM 0 HE2 LYS A 54 -11.096 -2.573 -6.984 1.00 1.79 H new ATOM 0 HE3 LYS A 54 -9.497 -2.120 -7.537 1.00 1.79 H new ATOM 0 HZ1 LYS A 54 -9.871 -4.509 -6.792 1.00 2.47 H new ATOM 0 HZ2 LYS A 54 -8.488 -3.720 -6.203 1.00 2.47 H new ATOM 0 HZ3 LYS A 54 -9.847 -3.908 -5.204 1.00 2.47 H new ATOM 491 N VAL A 55 -4.968 0.169 -7.509 1.00 0.44 N ATOM 492 CA VAL A 55 -4.086 0.279 -8.663 1.00 0.48 C ATOM 493 C VAL A 55 -2.648 -0.031 -8.260 1.00 0.46 C ATOM 494 O VAL A 55 -1.860 -0.529 -9.061 1.00 0.50 O ATOM 495 CB VAL A 55 -4.176 1.671 -9.333 1.00 0.60 C ATOM 496 CG1 VAL A 55 -5.576 1.911 -9.869 1.00 1.21 C ATOM 497 CG2 VAL A 55 -3.790 2.777 -8.370 1.00 1.16 C ATOM 0 H VAL A 55 -5.366 1.053 -7.192 1.00 0.44 H new ATOM 0 HA VAL A 55 -4.416 -0.454 -9.399 1.00 0.48 H new ATOM 0 HB VAL A 55 -3.469 1.685 -10.162 1.00 0.60 H new ATOM 0 HG11 VAL A 55 -5.623 2.894 -10.337 1.00 1.21 H new ATOM 0 HG12 VAL A 55 -5.819 1.146 -10.606 1.00 1.21 H new ATOM 0 HG13 VAL A 55 -6.292 1.865 -9.049 1.00 1.21 H new ATOM 0 HG21 VAL A 55 -3.865 3.741 -8.874 1.00 1.16 H new ATOM 0 HG22 VAL A 55 -4.462 2.763 -7.512 1.00 1.16 H new ATOM 0 HG23 VAL A 55 -2.766 2.623 -8.031 1.00 1.16 H new ATOM 507 N ALA A 56 -2.322 0.241 -7.000 1.00 0.46 N ATOM 508 CA ALA A 56 -1.034 -0.144 -6.445 1.00 0.51 C ATOM 509 C ALA A 56 -0.937 -1.659 -6.369 1.00 0.49 C ATOM 510 O ALA A 56 0.018 -2.262 -6.851 1.00 0.58 O ATOM 511 CB ALA A 56 -0.843 0.463 -5.063 1.00 0.55 C ATOM 0 H ALA A 56 -2.935 0.727 -6.345 1.00 0.46 H new ATOM 0 HA ALA A 56 -0.246 0.233 -7.097 1.00 0.51 H new ATOM 0 HB1 ALA A 56 0.126 0.163 -4.665 1.00 0.55 H new ATOM 0 HB2 ALA A 56 -0.886 1.550 -5.134 1.00 0.55 H new ATOM 0 HB3 ALA A 56 -1.633 0.111 -4.399 1.00 0.55 H new ATOM 517 N MET A 57 -1.961 -2.267 -5.790 1.00 0.44 N ATOM 518 CA MET A 57 -2.008 -3.707 -5.617 1.00 0.49 C ATOM 519 C MET A 57 -2.135 -4.417 -6.963 1.00 0.48 C ATOM 520 O MET A 57 -1.815 -5.598 -7.077 1.00 0.55 O ATOM 521 CB MET A 57 -3.168 -4.082 -4.696 1.00 0.59 C ATOM 522 CG MET A 57 -3.087 -3.421 -3.327 1.00 0.70 C ATOM 523 SD MET A 57 -1.726 -4.031 -2.317 1.00 1.75 S ATOM 524 CE MET A 57 -2.416 -5.577 -1.745 1.00 1.48 C ATOM 0 H MET A 57 -2.779 -1.776 -5.429 1.00 0.44 H new ATOM 0 HA MET A 57 -1.074 -4.032 -5.158 1.00 0.49 H new ATOM 0 HB2 MET A 57 -4.107 -3.801 -5.173 1.00 0.59 H new ATOM 0 HB3 MET A 57 -3.187 -5.164 -4.569 1.00 0.59 H new ATOM 0 HG2 MET A 57 -2.979 -2.344 -3.458 1.00 0.70 H new ATOM 0 HG3 MET A 57 -4.025 -3.585 -2.797 1.00 0.70 H new ATOM 0 HE1 MET A 57 -1.749 -6.022 -1.007 1.00 1.48 H new ATOM 0 HE2 MET A 57 -3.390 -5.395 -1.290 1.00 1.48 H new ATOM 0 HE3 MET A 57 -2.531 -6.258 -2.588 1.00 1.48 H new ATOM 534 N ARG A 58 -2.612 -3.705 -7.982 1.00 0.48 N ATOM 535 CA ARG A 58 -2.632 -4.247 -9.340 1.00 0.55 C ATOM 536 C ARG A 58 -1.214 -4.319 -9.881 1.00 0.59 C ATOM 537 O ARG A 58 -0.842 -5.293 -10.532 1.00 0.68 O ATOM 538 CB ARG A 58 -3.493 -3.409 -10.290 1.00 0.68 C ATOM 539 CG ARG A 58 -4.971 -3.416 -9.953 1.00 1.10 C ATOM 540 CD ARG A 58 -5.809 -2.923 -11.117 1.00 1.25 C ATOM 541 NE ARG A 58 -5.322 -1.658 -11.660 1.00 1.66 N ATOM 542 CZ ARG A 58 -6.055 -0.835 -12.406 1.00 2.15 C ATOM 543 NH1 ARG A 58 -7.332 -1.102 -12.643 1.00 2.27 N ATOM 544 NH2 ARG A 58 -5.501 0.260 -12.907 1.00 2.97 N ATOM 0 H ARG A 58 -2.987 -2.760 -7.896 1.00 0.48 H new ATOM 0 HA ARG A 58 -3.072 -5.243 -9.286 1.00 0.55 H new ATOM 0 HB2 ARG A 58 -3.133 -2.380 -10.277 1.00 0.68 H new ATOM 0 HB3 ARG A 58 -3.361 -3.781 -11.306 1.00 0.68 H new ATOM 0 HG2 ARG A 58 -5.279 -4.426 -9.684 1.00 1.10 H new ATOM 0 HG3 ARG A 58 -5.150 -2.786 -9.082 1.00 1.10 H new ATOM 0 HD2 ARG A 58 -5.810 -3.676 -11.905 1.00 1.25 H new ATOM 0 HD3 ARG A 58 -6.842 -2.801 -10.791 1.00 1.25 H new ATOM 0 HE ARG A 58 -4.360 -1.388 -11.455 1.00 1.66 H new ATOM 0 HH11 ARG A 58 -7.758 -1.942 -12.253 1.00 2.27 H new ATOM 0 HH12 ARG A 58 -7.888 -0.467 -13.216 1.00 2.27 H new ATOM 0 HH21 ARG A 58 -4.520 0.467 -12.720 1.00 2.97 H new ATOM 0 HH22 ARG A 58 -6.056 0.896 -13.480 1.00 2.97 H new ATOM 558 N ALA A 59 -0.424 -3.291 -9.585 1.00 0.60 N ATOM 559 CA ALA A 59 0.980 -3.260 -9.985 1.00 0.72 C ATOM 560 C ALA A 59 1.766 -4.363 -9.278 1.00 0.73 C ATOM 561 O ALA A 59 2.765 -4.864 -9.796 1.00 0.84 O ATOM 562 CB ALA A 59 1.591 -1.895 -9.686 1.00 0.81 C ATOM 0 H ALA A 59 -0.732 -2.467 -9.069 1.00 0.60 H new ATOM 0 HA ALA A 59 1.033 -3.435 -11.060 1.00 0.72 H new ATOM 0 HB1 ALA A 59 2.638 -1.890 -9.991 1.00 0.81 H new ATOM 0 HB2 ALA A 59 1.049 -1.126 -10.236 1.00 0.81 H new ATOM 0 HB3 ALA A 59 1.523 -1.692 -8.617 1.00 0.81 H new ATOM 568 N LEU A 60 1.305 -4.728 -8.085 1.00 0.68 N ATOM 569 CA LEU A 60 1.892 -5.830 -7.329 1.00 0.78 C ATOM 570 C LEU A 60 1.367 -7.173 -7.835 1.00 0.78 C ATOM 571 O LEU A 60 1.881 -8.228 -7.468 1.00 0.96 O ATOM 572 CB LEU A 60 1.594 -5.668 -5.835 1.00 0.80 C ATOM 573 CG LEU A 60 2.539 -4.737 -5.059 1.00 0.95 C ATOM 574 CD1 LEU A 60 3.928 -5.341 -4.968 1.00 1.82 C ATOM 575 CD2 LEU A 60 2.612 -3.361 -5.700 1.00 1.32 C ATOM 0 H LEU A 60 0.521 -4.273 -7.618 1.00 0.68 H new ATOM 0 HA LEU A 60 2.972 -5.809 -7.474 1.00 0.78 H new ATOM 0 HB2 LEU A 60 0.576 -5.294 -5.726 1.00 0.80 H new ATOM 0 HB3 LEU A 60 1.623 -6.653 -5.370 1.00 0.80 H new ATOM 0 HG LEU A 60 2.135 -4.623 -4.053 1.00 0.95 H new ATOM 0 HD11 LEU A 60 4.582 -4.667 -4.415 1.00 1.82 H new ATOM 0 HD12 LEU A 60 3.875 -6.300 -4.452 1.00 1.82 H new ATOM 0 HD13 LEU A 60 4.326 -5.491 -5.972 1.00 1.82 H new ATOM 0 HD21 LEU A 60 3.289 -2.728 -5.126 1.00 1.32 H new ATOM 0 HD22 LEU A 60 2.981 -3.455 -6.721 1.00 1.32 H new ATOM 0 HD23 LEU A 60 1.619 -2.912 -5.713 1.00 1.32 H new ATOM 587 N GLY A 61 0.334 -7.125 -8.669 1.00 0.68 N ATOM 588 CA GLY A 61 -0.167 -8.326 -9.309 1.00 0.72 C ATOM 589 C GLY A 61 -1.330 -8.968 -8.576 1.00 0.75 C ATOM 590 O GLY A 61 -1.627 -10.145 -8.787 1.00 0.96 O ATOM 0 H GLY A 61 -0.167 -6.271 -8.914 1.00 0.68 H new ATOM 0 HA2 GLY A 61 -0.479 -8.083 -10.325 1.00 0.72 H new ATOM 0 HA3 GLY A 61 0.644 -9.050 -9.389 1.00 0.72 H new ATOM 594 N PHE A 62 -2.000 -8.209 -7.720 1.00 0.72 N ATOM 595 CA PHE A 62 -3.122 -8.746 -6.961 1.00 0.80 C ATOM 596 C PHE A 62 -4.453 -8.195 -7.456 1.00 0.89 C ATOM 597 O PHE A 62 -5.370 -8.957 -7.765 1.00 1.01 O ATOM 598 CB PHE A 62 -3.017 -8.392 -5.477 1.00 0.78 C ATOM 599 CG PHE A 62 -1.719 -8.717 -4.808 1.00 0.80 C ATOM 600 CD1 PHE A 62 -1.294 -10.025 -4.669 1.00 0.97 C ATOM 601 CD2 PHE A 62 -0.937 -7.699 -4.292 1.00 0.80 C ATOM 602 CE1 PHE A 62 -0.103 -10.309 -4.027 1.00 1.08 C ATOM 603 CE2 PHE A 62 0.247 -7.974 -3.647 1.00 0.91 C ATOM 604 CZ PHE A 62 0.669 -9.281 -3.515 1.00 1.03 C ATOM 0 H PHE A 62 -1.789 -7.228 -7.534 1.00 0.72 H new ATOM 0 HA PHE A 62 -3.083 -9.826 -7.101 1.00 0.80 H new ATOM 0 HB2 PHE A 62 -3.201 -7.323 -5.366 1.00 0.78 H new ATOM 0 HB3 PHE A 62 -3.815 -8.909 -4.945 1.00 0.78 H new ATOM 0 HD1 PHE A 62 -1.896 -10.830 -5.064 1.00 0.97 H new ATOM 0 HD2 PHE A 62 -1.260 -6.674 -4.397 1.00 0.80 H new ATOM 0 HE1 PHE A 62 0.225 -11.333 -3.925 1.00 1.08 H new ATOM 0 HE2 PHE A 62 0.844 -7.169 -3.245 1.00 0.91 H new ATOM 0 HZ PHE A 62 1.600 -9.501 -3.013 1.00 1.03 H new ATOM 614 N ASP A 63 -4.538 -6.861 -7.503 1.00 1.21 N ATOM 615 CA ASP A 63 -5.810 -6.122 -7.634 1.00 1.42 C ATOM 616 C ASP A 63 -6.571 -6.187 -6.314 1.00 1.36 C ATOM 617 O ASP A 63 -7.030 -5.159 -5.804 1.00 1.98 O ATOM 618 CB ASP A 63 -6.696 -6.635 -8.778 1.00 1.81 C ATOM 619 CG ASP A 63 -7.926 -5.761 -8.994 1.00 2.36 C ATOM 620 OD1 ASP A 63 -8.789 -5.689 -8.089 1.00 2.74 O ATOM 621 OD2 ASP A 63 -8.041 -5.145 -10.072 1.00 2.85 O ATOM 0 H ASP A 63 -3.721 -6.253 -7.451 1.00 1.21 H new ATOM 0 HA ASP A 63 -5.557 -5.091 -7.880 1.00 1.42 H new ATOM 0 HB2 ASP A 63 -6.113 -6.671 -9.698 1.00 1.81 H new ATOM 0 HB3 ASP A 63 -7.012 -7.655 -8.560 1.00 1.81 H new ATOM 626 N VAL A 64 -6.708 -7.410 -5.776 1.00 0.90 N ATOM 627 CA VAL A 64 -7.217 -7.642 -4.418 1.00 0.93 C ATOM 628 C VAL A 64 -8.743 -7.507 -4.354 1.00 0.86 C ATOM 629 O VAL A 64 -9.380 -7.855 -3.348 1.00 0.95 O ATOM 630 CB VAL A 64 -6.540 -6.677 -3.409 1.00 1.16 C ATOM 631 CG1 VAL A 64 -6.959 -6.962 -1.985 1.00 1.35 C ATOM 632 CG2 VAL A 64 -5.034 -6.761 -3.515 1.00 1.33 C ATOM 0 H VAL A 64 -6.468 -8.267 -6.274 1.00 0.90 H new ATOM 0 HA VAL A 64 -6.966 -8.667 -4.143 1.00 0.93 H new ATOM 0 HB VAL A 64 -6.868 -5.670 -3.667 1.00 1.16 H new ATOM 0 HG11 VAL A 64 -6.461 -6.263 -1.313 1.00 1.35 H new ATOM 0 HG12 VAL A 64 -8.039 -6.847 -1.894 1.00 1.35 H new ATOM 0 HG13 VAL A 64 -6.679 -7.982 -1.721 1.00 1.35 H new ATOM 0 HG21 VAL A 64 -4.580 -6.076 -2.799 1.00 1.33 H new ATOM 0 HG22 VAL A 64 -4.710 -7.779 -3.299 1.00 1.33 H new ATOM 0 HG23 VAL A 64 -4.724 -6.488 -4.524 1.00 1.33 H new ATOM 642 N LYS A 65 -9.336 -7.030 -5.444 1.00 0.88 N ATOM 643 CA LYS A 65 -10.772 -6.785 -5.502 1.00 0.94 C ATOM 644 C LYS A 65 -11.159 -5.751 -4.447 1.00 0.80 C ATOM 645 O LYS A 65 -10.299 -5.208 -3.755 1.00 0.74 O ATOM 646 CB LYS A 65 -11.563 -8.085 -5.288 1.00 1.18 C ATOM 647 CG LYS A 65 -11.176 -9.237 -6.215 1.00 1.54 C ATOM 648 CD LYS A 65 -11.548 -8.979 -7.670 1.00 1.58 C ATOM 649 CE LYS A 65 -10.452 -8.238 -8.420 1.00 1.75 C ATOM 650 NZ LYS A 65 -10.784 -8.074 -9.859 1.00 2.52 N ATOM 0 H LYS A 65 -8.839 -6.804 -6.305 1.00 0.88 H new ATOM 0 HA LYS A 65 -11.019 -6.402 -6.492 1.00 0.94 H new ATOM 0 HB2 LYS A 65 -11.429 -8.408 -4.256 1.00 1.18 H new ATOM 0 HB3 LYS A 65 -12.624 -7.873 -5.420 1.00 1.18 H new ATOM 0 HG2 LYS A 65 -10.102 -9.408 -6.145 1.00 1.54 H new ATOM 0 HG3 LYS A 65 -11.667 -10.150 -5.876 1.00 1.54 H new ATOM 0 HD2 LYS A 65 -11.747 -9.929 -8.166 1.00 1.58 H new ATOM 0 HD3 LYS A 65 -12.470 -8.399 -7.710 1.00 1.58 H new ATOM 0 HE2 LYS A 65 -10.300 -7.258 -7.968 1.00 1.75 H new ATOM 0 HE3 LYS A 65 -9.513 -8.783 -8.323 1.00 1.75 H new ATOM 0 HZ1 LYS A 65 -10.014 -7.565 -10.337 1.00 2.52 H new ATOM 0 HZ2 LYS A 65 -10.904 -9.010 -10.296 1.00 2.52 H new ATOM 0 HZ3 LYS A 65 -11.667 -7.533 -9.952 1.00 2.52 H new ATOM 664 N LYS A 66 -12.432 -5.446 -4.339 1.00 0.87 N ATOM 665 CA LYS A 66 -12.885 -4.505 -3.325 1.00 0.86 C ATOM 666 C LYS A 66 -12.983 -5.171 -1.942 1.00 0.77 C ATOM 667 O LYS A 66 -12.412 -4.653 -0.981 1.00 0.71 O ATOM 668 CB LYS A 66 -14.221 -3.873 -3.737 1.00 1.09 C ATOM 669 CG LYS A 66 -14.764 -2.847 -2.751 1.00 1.44 C ATOM 670 CD LYS A 66 -15.888 -2.035 -3.377 1.00 1.88 C ATOM 671 CE LYS A 66 -16.577 -1.128 -2.367 1.00 2.34 C ATOM 672 NZ LYS A 66 -17.419 -1.897 -1.413 1.00 2.94 N ATOM 0 H LYS A 66 -13.170 -5.828 -4.931 1.00 0.87 H new ATOM 0 HA LYS A 66 -12.143 -3.710 -3.246 1.00 0.86 H new ATOM 0 HB2 LYS A 66 -14.098 -3.395 -4.709 1.00 1.09 H new ATOM 0 HB3 LYS A 66 -14.960 -4.665 -3.862 1.00 1.09 H new ATOM 0 HG2 LYS A 66 -15.130 -3.353 -1.858 1.00 1.44 H new ATOM 0 HG3 LYS A 66 -13.962 -2.181 -2.434 1.00 1.44 H new ATOM 0 HD2 LYS A 66 -15.487 -1.431 -4.191 1.00 1.88 H new ATOM 0 HD3 LYS A 66 -16.622 -2.712 -3.814 1.00 1.88 H new ATOM 0 HE2 LYS A 66 -15.826 -0.564 -1.814 1.00 2.34 H new ATOM 0 HE3 LYS A 66 -17.196 -0.403 -2.894 1.00 2.34 H new ATOM 0 HZ1 LYS A 66 -17.975 -1.238 -0.831 1.00 2.94 H new ATOM 0 HZ2 LYS A 66 -18.063 -2.519 -1.942 1.00 2.94 H new ATOM 0 HZ3 LYS A 66 -16.809 -2.473 -0.798 1.00 2.94 H new ATOM 686 N PRO A 67 -13.680 -6.331 -1.814 1.00 0.88 N ATOM 687 CA PRO A 67 -13.858 -7.011 -0.518 1.00 0.94 C ATOM 688 C PRO A 67 -12.555 -7.244 0.252 1.00 0.86 C ATOM 689 O PRO A 67 -12.498 -7.014 1.463 1.00 0.89 O ATOM 690 CB PRO A 67 -14.493 -8.347 -0.901 1.00 1.14 C ATOM 691 CG PRO A 67 -15.215 -8.067 -2.166 1.00 1.21 C ATOM 692 CD PRO A 67 -14.375 -7.060 -2.900 1.00 1.05 C ATOM 0 HA PRO A 67 -14.458 -6.401 0.158 1.00 0.94 H new ATOM 0 HB2 PRO A 67 -13.737 -9.121 -1.038 1.00 1.14 H new ATOM 0 HB3 PRO A 67 -15.173 -8.700 -0.126 1.00 1.14 H new ATOM 0 HG2 PRO A 67 -15.340 -8.976 -2.755 1.00 1.21 H new ATOM 0 HG3 PRO A 67 -16.213 -7.675 -1.969 1.00 1.21 H new ATOM 0 HD2 PRO A 67 -13.669 -7.543 -3.575 1.00 1.05 H new ATOM 0 HD3 PRO A 67 -14.987 -6.391 -3.504 1.00 1.05 H new ATOM 700 N GLU A 68 -11.498 -7.680 -0.427 1.00 0.82 N ATOM 701 CA GLU A 68 -10.263 -7.987 0.275 1.00 0.81 C ATOM 702 C GLU A 68 -9.487 -6.713 0.580 1.00 0.68 C ATOM 703 O GLU A 68 -8.792 -6.627 1.593 1.00 0.72 O ATOM 704 CB GLU A 68 -9.392 -8.947 -0.538 1.00 0.91 C ATOM 705 CG GLU A 68 -10.031 -10.300 -0.797 1.00 1.63 C ATOM 706 CD GLU A 68 -10.350 -11.047 0.479 1.00 1.76 C ATOM 707 OE1 GLU A 68 -9.464 -11.770 0.991 1.00 1.77 O ATOM 708 OE2 GLU A 68 -11.489 -10.931 0.968 1.00 2.38 O ATOM 0 H GLU A 68 -11.473 -7.825 -1.436 1.00 0.82 H new ATOM 0 HA GLU A 68 -10.527 -8.472 1.214 1.00 0.81 H new ATOM 0 HB2 GLU A 68 -9.153 -8.482 -1.494 1.00 0.91 H new ATOM 0 HB3 GLU A 68 -8.449 -9.098 -0.012 1.00 0.91 H new ATOM 0 HG2 GLU A 68 -10.947 -10.161 -1.371 1.00 1.63 H new ATOM 0 HG3 GLU A 68 -9.360 -10.903 -1.409 1.00 1.63 H new ATOM 715 N ILE A 69 -9.628 -5.708 -0.278 1.00 0.65 N ATOM 716 CA ILE A 69 -8.794 -4.527 -0.172 1.00 0.63 C ATOM 717 C ILE A 69 -9.337 -3.507 0.818 1.00 0.58 C ATOM 718 O ILE A 69 -8.556 -2.849 1.508 1.00 0.61 O ATOM 719 CB ILE A 69 -8.549 -3.875 -1.552 1.00 0.72 C ATOM 720 CG1 ILE A 69 -7.170 -3.229 -1.567 1.00 0.76 C ATOM 721 CG2 ILE A 69 -9.624 -2.847 -1.893 1.00 1.23 C ATOM 722 CD1 ILE A 69 -6.700 -2.833 -2.945 1.00 0.95 C ATOM 0 H ILE A 69 -10.303 -5.691 -1.042 1.00 0.65 H new ATOM 0 HA ILE A 69 -7.836 -4.871 0.218 1.00 0.63 H new ATOM 0 HB ILE A 69 -8.598 -4.654 -2.312 1.00 0.72 H new ATOM 0 HG12 ILE A 69 -7.186 -2.344 -0.930 1.00 0.76 H new ATOM 0 HG13 ILE A 69 -6.449 -3.922 -1.132 1.00 0.76 H new ATOM 0 HG21 ILE A 69 -9.415 -2.412 -2.870 1.00 1.23 H new ATOM 0 HG22 ILE A 69 -10.599 -3.333 -1.913 1.00 1.23 H new ATOM 0 HG23 ILE A 69 -9.627 -2.060 -1.139 1.00 1.23 H new ATOM 0 HD11 ILE A 69 -5.711 -2.380 -2.876 1.00 0.95 H new ATOM 0 HD12 ILE A 69 -6.650 -3.717 -3.581 1.00 0.95 H new ATOM 0 HD13 ILE A 69 -7.399 -2.115 -3.375 1.00 0.95 H new ATOM 734 N LEU A 70 -10.652 -3.367 0.922 1.00 0.60 N ATOM 735 CA LEU A 70 -11.182 -2.385 1.847 1.00 0.63 C ATOM 736 C LEU A 70 -11.008 -2.891 3.273 1.00 0.63 C ATOM 737 O LEU A 70 -10.710 -2.118 4.178 1.00 0.68 O ATOM 738 CB LEU A 70 -12.647 -1.982 1.512 1.00 0.77 C ATOM 739 CG LEU A 70 -13.815 -2.795 2.121 1.00 0.82 C ATOM 740 CD1 LEU A 70 -13.712 -4.268 1.782 1.00 1.13 C ATOM 741 CD2 LEU A 70 -13.908 -2.585 3.628 1.00 1.08 C ATOM 0 H LEU A 70 -11.346 -3.900 0.398 1.00 0.60 H new ATOM 0 HA LEU A 70 -10.614 -1.461 1.745 1.00 0.63 H new ATOM 0 HB2 LEU A 70 -12.778 -0.943 1.815 1.00 0.77 H new ATOM 0 HB3 LEU A 70 -12.756 -2.014 0.428 1.00 0.77 H new ATOM 0 HG LEU A 70 -14.735 -2.421 1.672 1.00 0.82 H new ATOM 0 HD11 LEU A 70 -14.550 -4.803 2.228 1.00 1.13 H new ATOM 0 HD12 LEU A 70 -13.735 -4.395 0.700 1.00 1.13 H new ATOM 0 HD13 LEU A 70 -12.777 -4.667 2.174 1.00 1.13 H new ATOM 0 HD21 LEU A 70 -14.738 -3.169 4.026 1.00 1.08 H new ATOM 0 HD22 LEU A 70 -12.979 -2.907 4.098 1.00 1.08 H new ATOM 0 HD23 LEU A 70 -14.074 -1.528 3.839 1.00 1.08 H new ATOM 753 N GLU A 71 -11.163 -4.200 3.463 1.00 0.64 N ATOM 754 CA GLU A 71 -11.015 -4.787 4.783 1.00 0.70 C ATOM 755 C GLU A 71 -9.551 -4.856 5.164 1.00 0.65 C ATOM 756 O GLU A 71 -9.200 -4.953 6.338 1.00 0.70 O ATOM 757 CB GLU A 71 -11.650 -6.173 4.844 1.00 0.85 C ATOM 758 CG GLU A 71 -12.806 -6.252 5.828 1.00 1.17 C ATOM 759 CD GLU A 71 -12.377 -5.984 7.260 1.00 1.22 C ATOM 760 OE1 GLU A 71 -11.818 -4.902 7.533 1.00 1.61 O ATOM 761 OE2 GLU A 71 -12.616 -6.855 8.122 1.00 1.66 O ATOM 0 H GLU A 71 -11.389 -4.865 2.723 1.00 0.64 H new ATOM 0 HA GLU A 71 -11.535 -4.150 5.498 1.00 0.70 H new ATOM 0 HB2 GLU A 71 -12.005 -6.448 3.851 1.00 0.85 H new ATOM 0 HB3 GLU A 71 -10.891 -6.903 5.124 1.00 0.85 H new ATOM 0 HG2 GLU A 71 -13.571 -5.531 5.541 1.00 1.17 H new ATOM 0 HG3 GLU A 71 -13.261 -7.241 5.769 1.00 1.17 H new ATOM 768 N LEU A 72 -8.695 -4.792 4.161 1.00 0.62 N ATOM 769 CA LEU A 72 -7.274 -4.688 4.398 1.00 0.68 C ATOM 770 C LEU A 72 -6.994 -3.361 5.090 1.00 0.67 C ATOM 771 O LEU A 72 -6.126 -3.258 5.948 1.00 0.74 O ATOM 772 CB LEU A 72 -6.507 -4.804 3.067 1.00 0.74 C ATOM 773 CG LEU A 72 -4.977 -4.907 3.155 1.00 0.92 C ATOM 774 CD1 LEU A 72 -4.424 -5.524 1.881 1.00 1.07 C ATOM 775 CD2 LEU A 72 -4.339 -3.542 3.376 1.00 1.01 C ATOM 0 H LEU A 72 -8.962 -4.810 3.177 1.00 0.62 H new ATOM 0 HA LEU A 72 -6.935 -5.500 5.041 1.00 0.68 H new ATOM 0 HB2 LEU A 72 -6.877 -5.682 2.538 1.00 0.74 H new ATOM 0 HB3 LEU A 72 -6.754 -3.936 2.456 1.00 0.74 H new ATOM 0 HG LEU A 72 -4.735 -5.541 4.008 1.00 0.92 H new ATOM 0 HD11 LEU A 72 -3.339 -5.593 1.952 1.00 1.07 H new ATOM 0 HD12 LEU A 72 -4.843 -6.521 1.748 1.00 1.07 H new ATOM 0 HD13 LEU A 72 -4.693 -4.901 1.028 1.00 1.07 H new ATOM 0 HD21 LEU A 72 -3.256 -3.652 3.434 1.00 1.01 H new ATOM 0 HD22 LEU A 72 -4.593 -2.883 2.546 1.00 1.01 H new ATOM 0 HD23 LEU A 72 -4.710 -3.113 4.307 1.00 1.01 H new ATOM 787 N MET A 73 -7.782 -2.356 4.740 1.00 0.70 N ATOM 788 CA MET A 73 -7.580 -1.016 5.262 1.00 0.82 C ATOM 789 C MET A 73 -8.406 -0.787 6.514 1.00 0.85 C ATOM 790 O MET A 73 -7.936 -0.182 7.467 1.00 1.02 O ATOM 791 CB MET A 73 -7.947 0.020 4.210 1.00 0.96 C ATOM 792 CG MET A 73 -7.166 -0.126 2.921 1.00 0.98 C ATOM 793 SD MET A 73 -7.316 1.331 1.884 1.00 1.29 S ATOM 794 CE MET A 73 -6.764 2.565 3.051 1.00 0.76 C ATOM 0 H MET A 73 -8.568 -2.445 4.096 1.00 0.70 H new ATOM 0 HA MET A 73 -6.526 -0.912 5.519 1.00 0.82 H new ATOM 0 HB2 MET A 73 -9.012 -0.057 3.991 1.00 0.96 H new ATOM 0 HB3 MET A 73 -7.777 1.016 4.618 1.00 0.96 H new ATOM 0 HG2 MET A 73 -6.115 -0.303 3.150 1.00 0.98 H new ATOM 0 HG3 MET A 73 -7.524 -0.999 2.376 1.00 0.98 H new ATOM 0 HE1 MET A 73 -6.636 3.519 2.539 1.00 0.76 H new ATOM 0 HE2 MET A 73 -7.505 2.675 3.843 1.00 0.76 H new ATOM 0 HE3 MET A 73 -5.813 2.256 3.485 1.00 0.76 H new ATOM 804 N ASN A 74 -9.635 -1.276 6.505 1.00 0.82 N ATOM 805 CA ASN A 74 -10.542 -1.109 7.636 1.00 0.94 C ATOM 806 C ASN A 74 -9.969 -1.738 8.905 1.00 0.92 C ATOM 807 O ASN A 74 -10.093 -1.176 9.995 1.00 1.00 O ATOM 808 CB ASN A 74 -11.913 -1.704 7.300 1.00 1.05 C ATOM 809 CG ASN A 74 -12.813 -1.828 8.513 1.00 1.26 C ATOM 810 OD1 ASN A 74 -13.465 -0.867 8.925 1.00 1.62 O ATOM 811 ND2 ASN A 74 -12.876 -3.025 9.068 1.00 1.88 N ATOM 0 H ASN A 74 -10.033 -1.796 5.723 1.00 0.82 H new ATOM 0 HA ASN A 74 -10.660 -0.042 7.827 1.00 0.94 H new ATOM 0 HB2 ASN A 74 -12.402 -1.079 6.553 1.00 1.05 H new ATOM 0 HB3 ASN A 74 -11.777 -2.688 6.852 1.00 1.05 H new ATOM 0 HD21 ASN A 74 -13.483 -3.183 9.872 1.00 1.88 H new ATOM 0 HD22 ASN A 74 -12.317 -3.791 8.692 1.00 1.88 H new ATOM 818 N GLU A 75 -9.368 -2.913 8.768 1.00 0.88 N ATOM 819 CA GLU A 75 -8.676 -3.546 9.885 1.00 0.95 C ATOM 820 C GLU A 75 -7.384 -2.812 10.267 1.00 0.85 C ATOM 821 O GLU A 75 -7.054 -2.727 11.451 1.00 0.90 O ATOM 822 CB GLU A 75 -8.361 -5.004 9.557 1.00 1.07 C ATOM 823 CG GLU A 75 -9.586 -5.902 9.552 1.00 1.66 C ATOM 824 CD GLU A 75 -10.198 -6.062 10.928 1.00 2.20 C ATOM 825 OE1 GLU A 75 -9.670 -6.853 11.740 1.00 2.59 O ATOM 826 OE2 GLU A 75 -11.213 -5.394 11.208 1.00 2.73 O ATOM 0 H GLU A 75 -9.345 -3.446 7.898 1.00 0.88 H new ATOM 0 HA GLU A 75 -9.348 -3.497 10.742 1.00 0.95 H new ATOM 0 HB2 GLU A 75 -7.881 -5.053 8.580 1.00 1.07 H new ATOM 0 HB3 GLU A 75 -7.644 -5.385 10.284 1.00 1.07 H new ATOM 0 HG2 GLU A 75 -10.332 -5.489 8.873 1.00 1.66 H new ATOM 0 HG3 GLU A 75 -9.311 -6.883 9.165 1.00 1.66 H new ATOM 833 N TYR A 76 -6.656 -2.282 9.280 1.00 0.80 N ATOM 834 CA TYR A 76 -5.328 -1.707 9.542 1.00 0.80 C ATOM 835 C TYR A 76 -5.376 -0.201 9.814 1.00 0.84 C ATOM 836 O TYR A 76 -5.166 0.239 10.947 1.00 1.09 O ATOM 837 CB TYR A 76 -4.393 -1.920 8.341 1.00 0.81 C ATOM 838 CG TYR A 76 -4.008 -3.353 8.033 1.00 0.80 C ATOM 839 CD1 TYR A 76 -4.738 -4.400 8.584 1.00 1.22 C ATOM 840 CD2 TYR A 76 -2.926 -3.666 7.224 1.00 1.28 C ATOM 841 CE1 TYR A 76 -4.398 -5.714 8.338 1.00 1.44 C ATOM 842 CE2 TYR A 76 -2.581 -4.977 6.970 1.00 1.65 C ATOM 843 CZ TYR A 76 -3.292 -5.965 7.410 1.00 1.51 C ATOM 844 OH TYR A 76 -2.970 -7.307 7.280 1.00 1.98 O ATOM 0 H TYR A 76 -6.955 -2.238 8.306 1.00 0.80 H new ATOM 0 HA TYR A 76 -4.958 -2.222 10.429 1.00 0.80 H new ATOM 0 HB2 TYR A 76 -4.870 -1.497 7.457 1.00 0.81 H new ATOM 0 HB3 TYR A 76 -3.480 -1.350 8.514 1.00 0.81 H new ATOM 0 HD1 TYR A 76 -5.586 -4.181 9.216 1.00 1.22 H new ATOM 0 HD2 TYR A 76 -2.343 -2.869 6.785 1.00 1.28 H new ATOM 0 HE1 TYR A 76 -4.927 -6.528 8.812 1.00 1.44 H new ATOM 0 HE2 TYR A 76 -1.695 -5.185 6.389 1.00 1.65 H new ATOM 0 HH TYR A 76 -2.227 -7.406 6.648 1.00 1.98 H new ATOM 854 N ASP A 77 -5.709 0.554 8.757 1.00 0.72 N ATOM 855 CA ASP A 77 -5.494 2.009 8.663 1.00 0.83 C ATOM 856 C ASP A 77 -4.424 2.511 9.654 1.00 1.13 C ATOM 857 O ASP A 77 -3.276 2.061 9.594 1.00 1.71 O ATOM 858 CB ASP A 77 -6.823 2.797 8.733 1.00 0.91 C ATOM 859 CG ASP A 77 -7.455 2.884 10.105 1.00 1.10 C ATOM 860 OD1 ASP A 77 -8.112 1.923 10.539 1.00 1.63 O ATOM 861 OD2 ASP A 77 -7.302 3.945 10.743 1.00 1.44 O ATOM 0 H ASP A 77 -6.146 0.162 7.923 1.00 0.72 H new ATOM 0 HA ASP A 77 -5.084 2.210 7.673 1.00 0.83 H new ATOM 0 HB2 ASP A 77 -6.645 3.809 8.369 1.00 0.91 H new ATOM 0 HB3 ASP A 77 -7.537 2.334 8.052 1.00 0.91 H new ATOM 866 N ARG A 78 -4.761 3.439 10.536 1.00 1.55 N ATOM 867 CA ARG A 78 -3.848 3.886 11.554 1.00 2.00 C ATOM 868 C ARG A 78 -4.488 3.888 12.948 1.00 1.95 C ATOM 869 O ARG A 78 -3.858 3.467 13.917 1.00 2.43 O ATOM 870 CB ARG A 78 -3.324 5.270 11.198 1.00 2.82 C ATOM 871 CG ARG A 78 -4.385 6.282 10.791 1.00 3.44 C ATOM 872 CD ARG A 78 -3.812 7.692 10.808 1.00 3.60 C ATOM 873 NE ARG A 78 -4.621 8.651 10.057 1.00 3.94 N ATOM 874 CZ ARG A 78 -4.950 9.859 10.516 1.00 4.74 C ATOM 875 NH1 ARG A 78 -4.610 10.217 11.749 1.00 5.29 N ATOM 876 NH2 ARG A 78 -5.629 10.701 9.744 1.00 5.31 N ATOM 0 H ARG A 78 -5.673 3.896 10.559 1.00 1.55 H new ATOM 0 HA ARG A 78 -3.017 3.182 11.592 1.00 2.00 H new ATOM 0 HB2 ARG A 78 -2.778 5.665 12.055 1.00 2.82 H new ATOM 0 HB3 ARG A 78 -2.608 5.171 10.382 1.00 2.82 H new ATOM 0 HG2 ARG A 78 -4.757 6.046 9.794 1.00 3.44 H new ATOM 0 HG3 ARG A 78 -5.235 6.220 11.471 1.00 3.44 H new ATOM 0 HD2 ARG A 78 -3.725 8.030 11.841 1.00 3.60 H new ATOM 0 HD3 ARG A 78 -2.804 7.673 10.393 1.00 3.60 H new ATOM 0 HE ARG A 78 -4.952 8.381 9.131 1.00 3.94 H new ATOM 0 HH11 ARG A 78 -4.097 9.568 12.345 1.00 5.29 H new ATOM 0 HH12 ARG A 78 -4.862 11.141 12.099 1.00 5.29 H new ATOM 0 HH21 ARG A 78 -5.899 10.423 8.800 1.00 5.31 H new ATOM 0 HH22 ARG A 78 -5.881 11.625 10.095 1.00 5.31 H new ATOM 890 N GLU A 79 -5.731 4.360 13.055 1.00 2.29 N ATOM 891 CA GLU A 79 -6.405 4.454 14.355 1.00 2.94 C ATOM 892 C GLU A 79 -7.914 4.666 14.208 1.00 3.08 C ATOM 893 O GLU A 79 -8.590 5.061 15.160 1.00 3.90 O ATOM 894 CB GLU A 79 -5.790 5.586 15.201 1.00 3.83 C ATOM 895 CG GLU A 79 -5.446 6.855 14.422 1.00 4.30 C ATOM 896 CD GLU A 79 -6.644 7.502 13.758 1.00 5.26 C ATOM 897 OE1 GLU A 79 -7.338 8.299 14.418 1.00 5.65 O ATOM 898 OE2 GLU A 79 -6.896 7.216 12.577 1.00 5.89 O ATOM 0 H GLU A 79 -6.290 4.682 12.265 1.00 2.29 H new ATOM 0 HA GLU A 79 -6.255 3.502 14.865 1.00 2.94 H new ATOM 0 HB2 GLU A 79 -6.487 5.844 15.998 1.00 3.83 H new ATOM 0 HB3 GLU A 79 -4.884 5.213 15.678 1.00 3.83 H new ATOM 0 HG2 GLU A 79 -4.985 7.573 15.100 1.00 4.30 H new ATOM 0 HG3 GLU A 79 -4.705 6.614 13.660 1.00 4.30 H new ATOM 905 N GLY A 80 -8.443 4.371 13.033 1.00 2.54 N ATOM 906 CA GLY A 80 -9.844 4.629 12.761 1.00 3.03 C ATOM 907 C GLY A 80 -10.013 5.787 11.803 1.00 2.53 C ATOM 908 O GLY A 80 -10.970 6.554 11.897 1.00 3.03 O ATOM 0 H GLY A 80 -7.927 3.955 12.258 1.00 2.54 H new ATOM 0 HA2 GLY A 80 -10.306 3.736 12.340 1.00 3.03 H new ATOM 0 HA3 GLY A 80 -10.364 4.847 13.694 1.00 3.03 H new ATOM 912 N ASN A 81 -9.064 5.916 10.892 1.00 1.95 N ATOM 913 CA ASN A 81 -9.069 6.987 9.904 1.00 2.28 C ATOM 914 C ASN A 81 -9.732 6.524 8.616 1.00 1.77 C ATOM 915 O ASN A 81 -10.713 7.113 8.161 1.00 2.29 O ATOM 916 CB ASN A 81 -7.638 7.435 9.607 1.00 3.16 C ATOM 917 CG ASN A 81 -7.541 8.483 8.509 1.00 4.17 C ATOM 918 OD1 ASN A 81 -6.570 8.502 7.753 1.00 4.83 O ATOM 919 ND2 ASN A 81 -8.518 9.373 8.420 1.00 4.72 N ATOM 0 H ASN A 81 -8.268 5.283 10.814 1.00 1.95 H new ATOM 0 HA ASN A 81 -9.634 7.825 10.312 1.00 2.28 H new ATOM 0 HB2 ASN A 81 -7.195 7.835 10.519 1.00 3.16 H new ATOM 0 HB3 ASN A 81 -7.047 6.565 9.320 1.00 3.16 H new ATOM 0 HD21 ASN A 81 -8.480 10.103 7.709 1.00 4.72 H new ATOM 0 HD22 ASN A 81 -9.309 9.328 9.063 1.00 4.72 H new ATOM 926 N GLY A 82 -9.191 5.464 8.039 1.00 1.33 N ATOM 927 CA GLY A 82 -9.677 4.984 6.764 1.00 1.30 C ATOM 928 C GLY A 82 -8.584 4.959 5.719 1.00 1.00 C ATOM 929 O GLY A 82 -8.729 4.335 4.672 1.00 1.04 O ATOM 0 H GLY A 82 -8.420 4.925 8.433 1.00 1.33 H new ATOM 0 HA2 GLY A 82 -10.087 3.981 6.885 1.00 1.30 H new ATOM 0 HA3 GLY A 82 -10.492 5.622 6.422 1.00 1.30 H new ATOM 933 N TYR A 83 -7.491 5.656 6.006 1.00 0.83 N ATOM 934 CA TYR A 83 -6.329 5.676 5.126 1.00 0.60 C ATOM 935 C TYR A 83 -5.128 5.094 5.864 1.00 0.51 C ATOM 936 O TYR A 83 -5.109 5.081 7.096 1.00 0.62 O ATOM 937 CB TYR A 83 -5.991 7.109 4.690 1.00 0.66 C ATOM 938 CG TYR A 83 -7.087 7.848 3.948 1.00 0.95 C ATOM 939 CD1 TYR A 83 -8.247 8.265 4.592 1.00 1.22 C ATOM 940 CD2 TYR A 83 -6.943 8.151 2.602 1.00 1.52 C ATOM 941 CE1 TYR A 83 -9.233 8.957 3.910 1.00 1.81 C ATOM 942 CE2 TYR A 83 -7.923 8.841 1.914 1.00 2.23 C ATOM 943 CZ TYR A 83 -9.064 9.241 2.572 1.00 2.34 C ATOM 944 OH TYR A 83 -10.040 9.926 1.886 1.00 3.05 O ATOM 0 H TYR A 83 -7.385 6.220 6.849 1.00 0.83 H new ATOM 0 HA TYR A 83 -6.561 5.084 4.241 1.00 0.60 H new ATOM 0 HB2 TYR A 83 -5.726 7.685 5.576 1.00 0.66 H new ATOM 0 HB3 TYR A 83 -5.106 7.076 4.054 1.00 0.66 H new ATOM 0 HD1 TYR A 83 -8.381 8.045 5.641 1.00 1.22 H new ATOM 0 HD2 TYR A 83 -6.048 7.842 2.082 1.00 1.52 H new ATOM 0 HE1 TYR A 83 -10.129 9.272 4.423 1.00 1.81 H new ATOM 0 HE2 TYR A 83 -7.794 9.065 0.865 1.00 2.23 H new ATOM 0 HH TYR A 83 -9.763 10.044 0.954 1.00 3.05 H new ATOM 954 N ILE A 84 -4.133 4.613 5.128 1.00 0.42 N ATOM 955 CA ILE A 84 -2.893 4.168 5.754 1.00 0.41 C ATOM 956 C ILE A 84 -1.733 5.045 5.308 1.00 0.38 C ATOM 957 O ILE A 84 -1.811 5.722 4.279 1.00 0.42 O ATOM 958 CB ILE A 84 -2.538 2.677 5.487 1.00 0.51 C ATOM 959 CG1 ILE A 84 -1.997 2.449 4.066 1.00 0.62 C ATOM 960 CG2 ILE A 84 -3.745 1.787 5.749 1.00 0.64 C ATOM 961 CD1 ILE A 84 -3.061 2.237 3.014 1.00 0.72 C ATOM 0 H ILE A 84 -4.158 4.522 4.112 1.00 0.42 H new ATOM 0 HA ILE A 84 -3.062 4.260 6.827 1.00 0.41 H new ATOM 0 HB ILE A 84 -1.740 2.408 6.179 1.00 0.51 H new ATOM 0 HG12 ILE A 84 -1.389 3.307 3.781 1.00 0.62 H new ATOM 0 HG13 ILE A 84 -1.338 1.581 4.077 1.00 0.62 H new ATOM 0 HG21 ILE A 84 -3.479 0.747 5.557 1.00 0.64 H new ATOM 0 HG22 ILE A 84 -4.059 1.896 6.787 1.00 0.64 H new ATOM 0 HG23 ILE A 84 -4.563 2.080 5.090 1.00 0.64 H new ATOM 0 HD11 ILE A 84 -2.588 2.084 2.044 1.00 0.72 H new ATOM 0 HD12 ILE A 84 -3.656 1.360 3.270 1.00 0.72 H new ATOM 0 HD13 ILE A 84 -3.708 3.113 2.969 1.00 0.72 H new ATOM 973 N GLY A 85 -0.666 5.029 6.089 1.00 0.40 N ATOM 974 CA GLY A 85 0.497 5.835 5.788 1.00 0.42 C ATOM 975 C GLY A 85 1.629 5.005 5.225 1.00 0.37 C ATOM 976 O GLY A 85 1.579 3.773 5.259 1.00 0.37 O ATOM 0 H GLY A 85 -0.584 4.466 6.935 1.00 0.40 H new ATOM 0 HA2 GLY A 85 0.225 6.611 5.072 1.00 0.42 H new ATOM 0 HA3 GLY A 85 0.833 6.340 6.694 1.00 0.42 H new ATOM 980 N PHE A 86 2.644 5.678 4.688 1.00 0.38 N ATOM 981 CA PHE A 86 3.809 5.016 4.120 1.00 0.35 C ATOM 982 C PHE A 86 4.449 4.042 5.113 1.00 0.40 C ATOM 983 O PHE A 86 5.035 3.036 4.714 1.00 0.43 O ATOM 984 CB PHE A 86 4.830 6.064 3.675 1.00 0.39 C ATOM 985 CG PHE A 86 6.091 5.475 3.131 1.00 0.43 C ATOM 986 CD1 PHE A 86 6.072 4.732 1.967 1.00 0.48 C ATOM 987 CD2 PHE A 86 7.296 5.679 3.775 1.00 0.61 C ATOM 988 CE1 PHE A 86 7.232 4.202 1.454 1.00 0.58 C ATOM 989 CE2 PHE A 86 8.459 5.152 3.269 1.00 0.71 C ATOM 990 CZ PHE A 86 8.421 4.356 2.144 1.00 0.65 C ATOM 0 H PHE A 86 2.679 6.696 4.636 1.00 0.38 H new ATOM 0 HA PHE A 86 3.480 4.435 3.258 1.00 0.35 H new ATOM 0 HB2 PHE A 86 4.378 6.700 2.914 1.00 0.39 H new ATOM 0 HB3 PHE A 86 5.074 6.705 4.522 1.00 0.39 H new ATOM 0 HD1 PHE A 86 5.136 4.566 1.454 1.00 0.48 H new ATOM 0 HD2 PHE A 86 7.324 6.259 4.686 1.00 0.61 H new ATOM 0 HE1 PHE A 86 7.215 3.667 0.516 1.00 0.58 H new ATOM 0 HE2 PHE A 86 9.402 5.361 3.752 1.00 0.71 H new ATOM 0 HZ PHE A 86 9.315 3.855 1.803 1.00 0.65 H new ATOM 1000 N ASP A 87 4.319 4.340 6.402 1.00 0.47 N ATOM 1001 CA ASP A 87 4.876 3.484 7.442 1.00 0.57 C ATOM 1002 C ASP A 87 4.271 2.086 7.371 1.00 0.56 C ATOM 1003 O ASP A 87 4.994 1.090 7.395 1.00 0.68 O ATOM 1004 CB ASP A 87 4.631 4.090 8.824 1.00 0.71 C ATOM 1005 CG ASP A 87 5.203 3.240 9.942 1.00 1.38 C ATOM 1006 OD1 ASP A 87 6.390 3.425 10.285 1.00 1.82 O ATOM 1007 OD2 ASP A 87 4.468 2.394 10.488 1.00 2.13 O ATOM 0 H ASP A 87 3.833 5.167 6.750 1.00 0.47 H new ATOM 0 HA ASP A 87 5.951 3.407 7.277 1.00 0.57 H new ATOM 0 HB2 ASP A 87 5.075 5.085 8.865 1.00 0.71 H new ATOM 0 HB3 ASP A 87 3.559 4.213 8.978 1.00 0.71 H new ATOM 1012 N ASP A 88 2.947 2.016 7.247 1.00 0.52 N ATOM 1013 CA ASP A 88 2.258 0.732 7.173 1.00 0.58 C ATOM 1014 C ASP A 88 2.469 0.117 5.796 1.00 0.59 C ATOM 1015 O ASP A 88 2.693 -1.085 5.666 1.00 0.80 O ATOM 1016 CB ASP A 88 0.761 0.912 7.447 1.00 0.64 C ATOM 1017 CG ASP A 88 0.081 -0.389 7.832 1.00 1.27 C ATOM 1018 OD1 ASP A 88 -0.166 -1.226 6.943 1.00 2.13 O ATOM 1019 OD2 ASP A 88 -0.191 -0.584 9.039 1.00 1.21 O ATOM 0 H ASP A 88 2.334 2.829 7.196 1.00 0.52 H new ATOM 0 HA ASP A 88 2.669 0.065 7.931 1.00 0.58 H new ATOM 0 HB2 ASP A 88 0.626 1.640 8.247 1.00 0.64 H new ATOM 0 HB3 ASP A 88 0.279 1.322 6.559 1.00 0.64 H new ATOM 1024 N PHE A 89 2.453 0.976 4.782 1.00 0.45 N ATOM 1025 CA PHE A 89 2.568 0.570 3.389 1.00 0.45 C ATOM 1026 C PHE A 89 3.880 -0.163 3.130 1.00 0.45 C ATOM 1027 O PHE A 89 3.963 -1.053 2.277 1.00 0.46 O ATOM 1028 CB PHE A 89 2.484 1.819 2.513 1.00 0.44 C ATOM 1029 CG PHE A 89 2.688 1.553 1.061 1.00 0.46 C ATOM 1030 CD1 PHE A 89 1.718 0.908 0.318 1.00 0.55 C ATOM 1031 CD2 PHE A 89 3.857 1.949 0.442 1.00 0.46 C ATOM 1032 CE1 PHE A 89 1.910 0.661 -1.022 1.00 0.60 C ATOM 1033 CE2 PHE A 89 4.060 1.707 -0.895 1.00 0.50 C ATOM 1034 CZ PHE A 89 3.083 1.063 -1.634 1.00 0.56 C ATOM 0 H PHE A 89 2.359 1.984 4.907 1.00 0.45 H new ATOM 0 HA PHE A 89 1.757 -0.118 3.150 1.00 0.45 H new ATOM 0 HB2 PHE A 89 1.508 2.284 2.654 1.00 0.44 H new ATOM 0 HB3 PHE A 89 3.231 2.538 2.849 1.00 0.44 H new ATOM 0 HD1 PHE A 89 0.800 0.595 0.793 1.00 0.55 H new ATOM 0 HD2 PHE A 89 4.620 2.455 1.015 1.00 0.46 H new ATOM 0 HE1 PHE A 89 1.147 0.155 -1.594 1.00 0.60 H new ATOM 0 HE2 PHE A 89 4.980 2.018 -1.368 1.00 0.50 H new ATOM 0 HZ PHE A 89 3.236 0.875 -2.686 1.00 0.56 H new ATOM 1044 N LEU A 90 4.897 0.218 3.872 1.00 0.45 N ATOM 1045 CA LEU A 90 6.224 -0.345 3.718 1.00 0.44 C ATOM 1046 C LEU A 90 6.240 -1.823 4.044 1.00 0.43 C ATOM 1047 O LEU A 90 6.764 -2.629 3.281 1.00 0.46 O ATOM 1048 CB LEU A 90 7.177 0.391 4.636 1.00 0.46 C ATOM 1049 CG LEU A 90 8.404 0.951 3.937 1.00 0.60 C ATOM 1050 CD1 LEU A 90 9.023 2.068 4.754 1.00 1.41 C ATOM 1051 CD2 LEU A 90 9.417 -0.154 3.688 1.00 1.14 C ATOM 0 H LEU A 90 4.829 0.928 4.601 1.00 0.45 H new ATOM 0 HA LEU A 90 6.532 -0.231 2.679 1.00 0.44 H new ATOM 0 HB2 LEU A 90 6.641 1.209 5.118 1.00 0.46 H new ATOM 0 HB3 LEU A 90 7.500 -0.287 5.426 1.00 0.46 H new ATOM 0 HG LEU A 90 8.097 1.364 2.976 1.00 0.60 H new ATOM 0 HD11 LEU A 90 9.900 2.455 4.235 1.00 1.41 H new ATOM 0 HD12 LEU A 90 8.296 2.869 4.885 1.00 1.41 H new ATOM 0 HD13 LEU A 90 9.319 1.684 5.730 1.00 1.41 H new ATOM 0 HD21 LEU A 90 10.292 0.260 3.187 1.00 1.14 H new ATOM 0 HD22 LEU A 90 9.718 -0.593 4.639 1.00 1.14 H new ATOM 0 HD23 LEU A 90 8.969 -0.923 3.059 1.00 1.14 H new ATOM 1063 N ASP A 91 5.623 -2.168 5.162 1.00 0.45 N ATOM 1064 CA ASP A 91 5.620 -3.537 5.655 1.00 0.50 C ATOM 1065 C ASP A 91 4.727 -4.413 4.800 1.00 0.52 C ATOM 1066 O ASP A 91 4.615 -5.616 5.004 1.00 0.59 O ATOM 1067 CB ASP A 91 5.169 -3.555 7.102 1.00 0.56 C ATOM 1068 CG ASP A 91 5.328 -4.909 7.759 1.00 1.14 C ATOM 1069 OD1 ASP A 91 6.455 -5.450 7.756 1.00 1.85 O ATOM 1070 OD2 ASP A 91 4.328 -5.452 8.273 1.00 1.84 O ATOM 0 H ASP A 91 5.112 -1.511 5.752 1.00 0.45 H new ATOM 0 HA ASP A 91 6.632 -3.938 5.596 1.00 0.50 H new ATOM 0 HB2 ASP A 91 5.741 -2.816 7.663 1.00 0.56 H new ATOM 0 HB3 ASP A 91 4.123 -3.254 7.154 1.00 0.56 H new ATOM 1075 N ILE A 92 4.095 -3.762 3.850 1.00 0.51 N ATOM 1076 CA ILE A 92 3.211 -4.382 2.884 1.00 0.55 C ATOM 1077 C ILE A 92 3.960 -4.701 1.616 1.00 0.53 C ATOM 1078 O ILE A 92 3.863 -5.800 1.070 1.00 0.60 O ATOM 1079 CB ILE A 92 2.102 -3.393 2.582 1.00 0.58 C ATOM 1080 CG1 ILE A 92 1.365 -3.108 3.871 1.00 0.65 C ATOM 1081 CG2 ILE A 92 1.175 -3.901 1.484 1.00 0.62 C ATOM 1082 CD1 ILE A 92 0.404 -4.198 4.273 1.00 1.30 C ATOM 0 H ILE A 92 4.184 -2.754 3.723 1.00 0.51 H new ATOM 0 HA ILE A 92 2.808 -5.312 3.285 1.00 0.55 H new ATOM 0 HB ILE A 92 2.526 -2.466 2.197 1.00 0.58 H new ATOM 0 HG12 ILE A 92 2.092 -2.963 4.670 1.00 0.65 H new ATOM 0 HG13 ILE A 92 0.816 -2.172 3.766 1.00 0.65 H new ATOM 0 HG21 ILE A 92 0.394 -3.164 1.297 1.00 0.62 H new ATOM 0 HG22 ILE A 92 1.747 -4.063 0.571 1.00 0.62 H new ATOM 0 HG23 ILE A 92 0.720 -4.840 1.798 1.00 0.62 H new ATOM 0 HD11 ILE A 92 -0.088 -3.924 5.206 1.00 1.30 H new ATOM 0 HD12 ILE A 92 -0.346 -4.328 3.493 1.00 1.30 H new ATOM 0 HD13 ILE A 92 0.950 -5.131 4.411 1.00 1.30 H new ATOM 1094 N MET A 93 4.724 -3.733 1.153 1.00 0.47 N ATOM 1095 CA MET A 93 5.611 -3.963 0.043 1.00 0.48 C ATOM 1096 C MET A 93 6.735 -4.884 0.481 1.00 0.49 C ATOM 1097 O MET A 93 7.465 -5.426 -0.339 1.00 0.55 O ATOM 1098 CB MET A 93 6.152 -2.653 -0.506 1.00 0.50 C ATOM 1099 CG MET A 93 5.109 -1.847 -1.262 1.00 0.61 C ATOM 1100 SD MET A 93 5.832 -0.783 -2.521 1.00 0.57 S ATOM 1101 CE MET A 93 6.562 -2.010 -3.600 1.00 0.63 C ATOM 0 H MET A 93 4.745 -2.785 1.529 1.00 0.47 H new ATOM 0 HA MET A 93 5.056 -4.442 -0.764 1.00 0.48 H new ATOM 0 HB2 MET A 93 6.539 -2.053 0.318 1.00 0.50 H new ATOM 0 HB3 MET A 93 6.991 -2.863 -1.169 1.00 0.50 H new ATOM 0 HG2 MET A 93 4.399 -2.528 -1.732 1.00 0.61 H new ATOM 0 HG3 MET A 93 4.546 -1.237 -0.556 1.00 0.61 H new ATOM 0 HE1 MET A 93 6.538 -1.650 -4.629 1.00 0.63 H new ATOM 0 HE2 MET A 93 7.595 -2.188 -3.302 1.00 0.63 H new ATOM 0 HE3 MET A 93 5.998 -2.940 -3.528 1.00 0.63 H new ATOM 1111 N THR A 94 6.884 -5.033 1.790 1.00 0.48 N ATOM 1112 CA THR A 94 7.736 -6.076 2.334 1.00 0.54 C ATOM 1113 C THR A 94 6.907 -7.291 2.751 1.00 0.61 C ATOM 1114 O THR A 94 7.435 -8.381 2.915 1.00 0.74 O ATOM 1115 CB THR A 94 8.564 -5.587 3.534 1.00 0.59 C ATOM 1116 OG1 THR A 94 7.703 -5.132 4.573 1.00 0.64 O ATOM 1117 CG2 THR A 94 9.502 -4.467 3.119 1.00 0.60 C ATOM 0 H THR A 94 6.428 -4.448 2.490 1.00 0.48 H new ATOM 0 HA THR A 94 8.427 -6.358 1.540 1.00 0.54 H new ATOM 0 HB THR A 94 9.159 -6.424 3.901 1.00 0.59 H new ATOM 0 HG1 THR A 94 8.224 -4.991 5.391 1.00 0.64 H new ATOM 0 HG21 THR A 94 10.078 -4.136 3.983 1.00 0.60 H new ATOM 0 HG22 THR A 94 10.181 -4.829 2.347 1.00 0.60 H new ATOM 0 HG23 THR A 94 8.921 -3.631 2.729 1.00 0.60 H new ATOM 1125 N GLU A 95 5.603 -7.103 2.916 1.00 0.58 N ATOM 1126 CA GLU A 95 4.736 -8.175 3.394 1.00 0.68 C ATOM 1127 C GLU A 95 4.786 -9.357 2.450 1.00 0.71 C ATOM 1128 O GLU A 95 4.976 -10.501 2.860 1.00 0.79 O ATOM 1129 CB GLU A 95 3.287 -7.710 3.514 1.00 0.72 C ATOM 1130 CG GLU A 95 2.391 -8.694 4.250 1.00 0.92 C ATOM 1131 CD GLU A 95 2.815 -8.893 5.694 1.00 1.32 C ATOM 1132 OE1 GLU A 95 3.808 -9.606 5.936 1.00 2.09 O ATOM 1133 OE2 GLU A 95 2.140 -8.358 6.596 1.00 1.67 O ATOM 0 H GLU A 95 5.124 -6.223 2.727 1.00 0.58 H new ATOM 0 HA GLU A 95 5.100 -8.467 4.379 1.00 0.68 H new ATOM 0 HB2 GLU A 95 3.263 -6.752 4.033 1.00 0.72 H new ATOM 0 HB3 GLU A 95 2.884 -7.542 2.515 1.00 0.72 H new ATOM 0 HG2 GLU A 95 1.362 -8.335 4.222 1.00 0.92 H new ATOM 0 HG3 GLU A 95 2.408 -9.654 3.733 1.00 0.92 H new ATOM 1140 N LYS A 96 4.658 -9.057 1.171 1.00 0.68 N ATOM 1141 CA LYS A 96 4.421 -10.079 0.174 1.00 0.75 C ATOM 1142 C LYS A 96 5.692 -10.833 -0.247 1.00 0.77 C ATOM 1143 O LYS A 96 5.618 -11.751 -1.051 1.00 0.90 O ATOM 1144 CB LYS A 96 3.711 -9.469 -1.038 1.00 0.78 C ATOM 1145 CG LYS A 96 4.311 -8.160 -1.526 1.00 0.75 C ATOM 1146 CD LYS A 96 5.538 -8.386 -2.391 1.00 0.89 C ATOM 1147 CE LYS A 96 6.808 -7.880 -1.731 1.00 0.80 C ATOM 1148 NZ LYS A 96 7.830 -7.474 -2.741 1.00 1.16 N ATOM 0 H LYS A 96 4.715 -8.109 0.799 1.00 0.68 H new ATOM 0 HA LYS A 96 3.777 -10.829 0.634 1.00 0.75 H new ATOM 0 HB2 LYS A 96 3.730 -10.190 -1.855 1.00 0.78 H new ATOM 0 HB3 LYS A 96 2.664 -9.302 -0.784 1.00 0.78 H new ATOM 0 HG2 LYS A 96 3.563 -7.608 -2.095 1.00 0.75 H new ATOM 0 HG3 LYS A 96 4.580 -7.542 -0.669 1.00 0.75 H new ATOM 0 HD2 LYS A 96 5.640 -9.450 -2.602 1.00 0.89 H new ATOM 0 HD3 LYS A 96 5.403 -7.883 -3.348 1.00 0.89 H new ATOM 0 HE2 LYS A 96 6.572 -7.030 -1.090 1.00 0.80 H new ATOM 0 HE3 LYS A 96 7.220 -8.659 -1.089 1.00 0.80 H new ATOM 0 HZ1 LYS A 96 8.756 -7.378 -2.278 1.00 1.16 H new ATOM 0 HZ2 LYS A 96 7.888 -8.197 -3.486 1.00 1.16 H new ATOM 0 HZ3 LYS A 96 7.558 -6.563 -3.163 1.00 1.16 H new ATOM 1162 N ILE A 97 6.859 -10.412 0.234 1.00 0.72 N ATOM 1163 CA ILE A 97 8.072 -11.230 0.087 1.00 0.78 C ATOM 1164 C ILE A 97 8.343 -12.018 1.360 1.00 0.86 C ATOM 1165 O ILE A 97 8.961 -13.078 1.342 1.00 0.97 O ATOM 1166 CB ILE A 97 9.334 -10.408 -0.287 1.00 0.78 C ATOM 1167 CG1 ILE A 97 9.420 -9.098 0.497 1.00 0.73 C ATOM 1168 CG2 ILE A 97 9.381 -10.148 -1.779 1.00 0.90 C ATOM 1169 CD1 ILE A 97 9.998 -9.271 1.882 1.00 0.79 C ATOM 0 H ILE A 97 6.996 -9.526 0.721 1.00 0.72 H new ATOM 0 HA ILE A 97 7.873 -11.908 -0.743 1.00 0.78 H new ATOM 0 HB ILE A 97 10.203 -11.005 -0.011 1.00 0.78 H new ATOM 0 HG12 ILE A 97 10.032 -8.388 -0.059 1.00 0.73 H new ATOM 0 HG13 ILE A 97 8.423 -8.664 0.578 1.00 0.73 H new ATOM 0 HG21 ILE A 97 10.273 -9.570 -2.020 1.00 0.90 H new ATOM 0 HG22 ILE A 97 9.408 -11.098 -2.313 1.00 0.90 H new ATOM 0 HG23 ILE A 97 8.495 -9.589 -2.079 1.00 0.90 H new ATOM 0 HD11 ILE A 97 10.032 -8.305 2.385 1.00 0.79 H new ATOM 0 HD12 ILE A 97 9.373 -9.957 2.454 1.00 0.79 H new ATOM 0 HD13 ILE A 97 11.007 -9.677 1.807 1.00 0.79 H new ATOM 1181 N LYS A 98 7.849 -11.476 2.453 1.00 0.93 N ATOM 1182 CA LYS A 98 8.107 -11.982 3.781 1.00 1.13 C ATOM 1183 C LYS A 98 7.143 -13.107 4.113 1.00 1.19 C ATOM 1184 O LYS A 98 7.547 -14.245 4.341 1.00 1.39 O ATOM 1185 CB LYS A 98 7.926 -10.809 4.724 1.00 1.33 C ATOM 1186 CG LYS A 98 7.957 -11.126 6.199 1.00 1.54 C ATOM 1187 CD LYS A 98 7.082 -10.134 6.951 1.00 1.29 C ATOM 1188 CE LYS A 98 6.929 -8.828 6.170 1.00 1.14 C ATOM 1189 NZ LYS A 98 5.837 -7.977 6.711 1.00 1.56 N ATOM 0 H LYS A 98 7.245 -10.654 2.441 1.00 0.93 H new ATOM 0 HA LYS A 98 9.112 -12.395 3.866 1.00 1.13 H new ATOM 0 HB2 LYS A 98 8.707 -10.078 4.515 1.00 1.33 H new ATOM 0 HB3 LYS A 98 6.973 -10.331 4.497 1.00 1.33 H new ATOM 0 HG2 LYS A 98 7.603 -12.142 6.371 1.00 1.54 H new ATOM 0 HG3 LYS A 98 8.981 -11.078 6.570 1.00 1.54 H new ATOM 0 HD2 LYS A 98 6.100 -10.572 7.127 1.00 1.29 H new ATOM 0 HD3 LYS A 98 7.519 -9.927 7.928 1.00 1.29 H new ATOM 0 HE2 LYS A 98 7.868 -8.275 6.201 1.00 1.14 H new ATOM 0 HE3 LYS A 98 6.727 -9.054 5.123 1.00 1.14 H new ATOM 0 HZ1 LYS A 98 5.609 -7.228 6.026 1.00 1.56 H new ATOM 0 HZ2 LYS A 98 4.993 -8.561 6.880 1.00 1.56 H new ATOM 0 HZ3 LYS A 98 6.144 -7.546 7.606 1.00 1.56 H new ATOM 1203 N ASN A 99 5.865 -12.776 4.115 1.00 1.11 N ATOM 1204 CA ASN A 99 4.820 -13.759 4.299 1.00 1.24 C ATOM 1205 C ASN A 99 4.020 -13.822 3.014 1.00 1.27 C ATOM 1206 O ASN A 99 2.813 -13.575 2.991 1.00 1.57 O ATOM 1207 CB ASN A 99 3.920 -13.392 5.484 1.00 1.30 C ATOM 1208 CG ASN A 99 3.057 -14.558 5.946 1.00 1.53 C ATOM 1209 OD1 ASN A 99 3.438 -15.313 6.845 1.00 1.97 O ATOM 1210 ND2 ASN A 99 1.898 -14.718 5.331 1.00 1.86 N ATOM 0 H ASN A 99 5.526 -11.822 3.990 1.00 1.11 H new ATOM 0 HA ASN A 99 5.256 -14.733 4.523 1.00 1.24 H new ATOM 0 HB2 ASN A 99 4.539 -13.052 6.314 1.00 1.30 H new ATOM 0 HB3 ASN A 99 3.277 -12.558 5.203 1.00 1.30 H new ATOM 0 HD21 ASN A 99 1.283 -15.487 5.595 1.00 1.86 H new ATOM 0 HD22 ASN A 99 1.619 -14.072 4.592 1.00 1.86 H new ATOM 1217 N ARG A 100 4.733 -14.096 1.927 1.00 1.20 N ATOM 1218 CA ARG A 100 4.140 -14.127 0.596 1.00 1.28 C ATOM 1219 C ARG A 100 2.971 -15.111 0.526 1.00 1.61 C ATOM 1220 O ARG A 100 2.014 -14.905 -0.220 1.00 1.75 O ATOM 1221 CB ARG A 100 5.185 -14.480 -0.465 1.00 1.26 C ATOM 1222 CG ARG A 100 5.824 -15.846 -0.312 1.00 1.58 C ATOM 1223 CD ARG A 100 6.877 -16.071 -1.381 1.00 1.70 C ATOM 1224 NE ARG A 100 6.312 -16.047 -2.732 1.00 2.35 N ATOM 1225 CZ ARG A 100 6.918 -16.572 -3.798 1.00 2.88 C ATOM 1226 NH1 ARG A 100 8.122 -17.117 -3.678 1.00 2.86 N ATOM 1227 NH2 ARG A 100 6.323 -16.548 -4.985 1.00 3.81 N ATOM 0 H ARG A 100 5.732 -14.302 1.943 1.00 1.20 H new ATOM 0 HA ARG A 100 3.758 -13.127 0.392 1.00 1.28 H new ATOM 0 HB2 ARG A 100 4.716 -14.424 -1.447 1.00 1.26 H new ATOM 0 HB3 ARG A 100 5.971 -13.725 -0.444 1.00 1.26 H new ATOM 0 HG2 ARG A 100 6.278 -15.932 0.675 1.00 1.58 H new ATOM 0 HG3 ARG A 100 5.059 -16.620 -0.380 1.00 1.58 H new ATOM 0 HD2 ARG A 100 7.646 -15.303 -1.298 1.00 1.70 H new ATOM 0 HD3 ARG A 100 7.365 -17.031 -1.211 1.00 1.70 H new ATOM 0 HE ARG A 100 5.403 -15.603 -2.865 1.00 2.35 H new ATOM 0 HH11 ARG A 100 8.585 -17.135 -2.770 1.00 2.86 H new ATOM 0 HH12 ARG A 100 8.584 -17.518 -4.494 1.00 2.86 H new ATOM 0 HH21 ARG A 100 5.399 -16.127 -5.084 1.00 3.81 H new ATOM 0 HH22 ARG A 100 6.790 -16.951 -5.798 1.00 3.81 H new ATOM 1241 N ASP A 101 3.066 -16.178 1.306 1.00 2.03 N ATOM 1242 CA ASP A 101 2.008 -17.169 1.384 1.00 2.53 C ATOM 1243 C ASP A 101 1.273 -17.020 2.706 1.00 2.92 C ATOM 1244 O ASP A 101 0.164 -16.444 2.714 1.00 3.13 O ATOM 1245 CB ASP A 101 2.584 -18.582 1.250 1.00 3.31 C ATOM 1246 CG ASP A 101 1.517 -19.659 1.298 1.00 3.89 C ATOM 1247 OD1 ASP A 101 0.840 -19.886 0.270 1.00 4.02 O ATOM 1248 OD2 ASP A 101 1.332 -20.274 2.372 1.00 4.34 O ATOM 1249 OXT ASP A 101 1.830 -17.445 3.740 1.00 3.41 O ATOM 0 H ASP A 101 3.873 -16.378 1.897 1.00 2.03 H new ATOM 0 HA ASP A 101 1.308 -17.009 0.564 1.00 2.53 H new ATOM 0 HB2 ASP A 101 3.130 -18.659 0.310 1.00 3.31 H new ATOM 0 HB3 ASP A 101 3.303 -18.754 2.051 1.00 3.31 H new TER 1254 ASP A 101