USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 Set 1.1: A 110 THR OG1 : rot -66:sc= 0.592 USER MOD Set 1.2: A 113 GLN :FLIP amide:sc= 0.596 F(o=0.61,f=1.2) USER MOD Set 2.1: A 58 HIS : no HD1:sc= -0.032 X(o=-2.2,f=-2.2) USER MOD Set 2.2: A 67 HIS : no HE2:sc= -2.18! C(o=-2.2!,f=-4.9!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= 0.0824 (180deg=0) USER MOD Single : A 45 SER OG : rot -6:sc= 1.25 USER MOD Single : A 53 ASN : amide:sc= -0.0543 X(o=-0.054,f=-0.44!) USER MOD Single : A 55 SER OG : rot 132:sc= 1.15 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 170:sc= 0 USER MOD Single : A 74 SER OG : rot 120:sc= 0.289 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.559 K(o=0.56,f=-3!) USER MOD Single : A 86 HIS : no HE2:sc= 0.102 K(o=0.1,f=-1.5!) USER MOD Single : A 90 HIS : no HE2:sc= -0.326 K(o=-0.33,f=-0.89) USER MOD Single : A 102 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.71 K(o=0.71,f=-2.9!) USER MOD Single : A 117 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -0.259 12.191 9.522 1.00 1.92 N ATOM 2 CA PRO A 31 0.270 11.931 8.182 1.00 1.65 C ATOM 3 C PRO A 31 -0.582 10.930 7.384 1.00 1.42 C ATOM 4 O PRO A 31 -1.243 10.057 7.967 1.00 1.34 O ATOM 5 CB PRO A 31 1.691 11.391 8.409 1.00 1.60 C ATOM 6 CG PRO A 31 2.095 12.000 9.749 1.00 2.01 C ATOM 7 CD PRO A 31 0.779 11.975 10.522 1.00 2.02 C ATOM 0 HA PRO A 31 0.260 12.841 7.582 1.00 1.65 H new ATOM 0 HB2 PRO A 31 1.706 10.302 8.443 1.00 1.60 H new ATOM 0 HB3 PRO A 31 2.368 11.694 7.610 1.00 1.60 H new ATOM 0 HG2 PRO A 31 2.870 11.416 10.245 1.00 2.01 H new ATOM 0 HG3 PRO A 31 2.482 13.013 9.636 1.00 2.01 H new ATOM 0 HD2 PRO A 31 0.641 11.022 11.033 1.00 2.02 H new ATOM 0 HD3 PRO A 31 0.757 12.752 11.286 1.00 2.02 H new ATOM 15 N VAL A 32 -0.514 10.984 6.046 1.00 1.40 N ATOM 16 CA VAL A 32 -1.241 10.009 5.195 1.00 1.37 C ATOM 17 C VAL A 32 -0.758 8.573 5.418 1.00 1.25 C ATOM 18 O VAL A 32 -1.462 7.634 5.071 1.00 1.20 O ATOM 19 CB VAL A 32 -1.250 10.331 3.681 1.00 1.40 C ATOM 20 CG1 VAL A 32 -1.646 11.782 3.397 1.00 2.38 C ATOM 21 CG2 VAL A 32 0.061 10.013 2.952 1.00 1.98 C ATOM 0 H VAL A 32 0.026 11.678 5.529 1.00 1.40 H new ATOM 0 HA VAL A 32 -2.274 10.103 5.530 1.00 1.37 H new ATOM 0 HB VAL A 32 -2.009 9.659 3.281 1.00 1.40 H new ATOM 0 HG11 VAL A 32 -1.637 11.958 2.321 1.00 2.38 H new ATOM 0 HG12 VAL A 32 -2.646 11.969 3.787 1.00 2.38 H new ATOM 0 HG13 VAL A 32 -0.937 12.454 3.880 1.00 2.38 H new ATOM 0 HG21 VAL A 32 -0.037 10.270 1.897 1.00 1.98 H new ATOM 0 HG22 VAL A 32 0.872 10.592 3.393 1.00 1.98 H new ATOM 0 HG23 VAL A 32 0.281 8.950 3.047 1.00 1.98 H new ATOM 31 N GLU A 33 0.407 8.396 6.048 1.00 1.23 N ATOM 32 CA GLU A 33 1.025 7.112 6.364 1.00 1.20 C ATOM 33 C GLU A 33 0.292 6.452 7.555 1.00 1.11 C ATOM 34 O GLU A 33 -0.013 5.259 7.540 1.00 1.08 O ATOM 35 CB GLU A 33 2.549 7.350 6.541 1.00 1.33 C ATOM 36 CG GLU A 33 3.058 7.242 7.968 1.00 1.52 C ATOM 37 CD GLU A 33 4.475 7.788 8.180 1.00 1.82 C ATOM 38 OE1 GLU A 33 4.667 8.592 9.125 1.00 2.88 O ATOM 39 OE2 GLU A 33 5.417 7.404 7.444 1.00 2.30 O ATOM 0 H GLU A 33 0.970 9.185 6.366 1.00 1.23 H new ATOM 0 HA GLU A 33 0.924 6.382 5.560 1.00 1.20 H new ATOM 0 HB2 GLU A 33 3.087 6.630 5.925 1.00 1.33 H new ATOM 0 HB3 GLU A 33 2.793 8.341 6.159 1.00 1.33 H new ATOM 0 HG2 GLU A 33 2.374 7.777 8.626 1.00 1.52 H new ATOM 0 HG3 GLU A 33 3.037 6.195 8.270 1.00 1.52 H new ATOM 46 N ALA A 34 -0.120 7.255 8.538 1.00 1.08 N ATOM 47 CA ALA A 34 -0.965 6.818 9.638 1.00 1.02 C ATOM 48 C ALA A 34 -2.422 6.652 9.173 1.00 0.97 C ATOM 49 O ALA A 34 -3.076 5.670 9.528 1.00 0.87 O ATOM 50 CB ALA A 34 -0.789 7.817 10.777 1.00 1.16 C ATOM 0 H ALA A 34 0.131 8.242 8.588 1.00 1.08 H new ATOM 0 HA ALA A 34 -0.673 5.832 10.001 1.00 1.02 H new ATOM 0 HB1 ALA A 34 -1.410 7.519 11.621 1.00 1.16 H new ATOM 0 HB2 ALA A 34 0.256 7.837 11.085 1.00 1.16 H new ATOM 0 HB3 ALA A 34 -1.087 8.810 10.440 1.00 1.16 H new ATOM 56 N ALA A 35 -2.913 7.557 8.313 1.00 1.09 N ATOM 57 CA ALA A 35 -4.253 7.421 7.735 1.00 1.14 C ATOM 58 C ALA A 35 -4.410 6.121 6.918 1.00 1.06 C ATOM 59 O ALA A 35 -5.369 5.378 7.127 1.00 1.03 O ATOM 60 CB ALA A 35 -4.569 8.660 6.893 1.00 1.29 C ATOM 0 H ALA A 35 -2.404 8.385 8.005 1.00 1.09 H new ATOM 0 HA ALA A 35 -4.974 7.350 8.550 1.00 1.14 H new ATOM 0 HB1 ALA A 35 -5.565 8.562 6.461 1.00 1.29 H new ATOM 0 HB2 ALA A 35 -4.533 9.548 7.524 1.00 1.29 H new ATOM 0 HB3 ALA A 35 -3.835 8.753 6.093 1.00 1.29 H new ATOM 66 N ILE A 36 -3.450 5.805 6.036 1.00 1.06 N ATOM 67 CA ILE A 36 -3.458 4.569 5.238 1.00 1.04 C ATOM 68 C ILE A 36 -3.247 3.334 6.112 1.00 0.90 C ATOM 69 O ILE A 36 -3.979 2.366 5.931 1.00 0.90 O ATOM 70 CB ILE A 36 -2.449 4.648 4.075 1.00 1.20 C ATOM 71 CG1 ILE A 36 -2.754 3.619 2.970 1.00 1.20 C ATOM 72 CG2 ILE A 36 -0.991 4.533 4.529 1.00 2.11 C ATOM 73 CD1 ILE A 36 -1.708 3.633 1.849 1.00 1.31 C ATOM 0 H ILE A 36 -2.643 6.402 5.855 1.00 1.06 H new ATOM 0 HA ILE A 36 -4.447 4.466 4.792 1.00 1.04 H new ATOM 0 HB ILE A 36 -2.574 5.646 3.656 1.00 1.20 H new ATOM 0 HG12 ILE A 36 -2.798 2.622 3.409 1.00 1.20 H new ATOM 0 HG13 ILE A 36 -3.737 3.825 2.547 1.00 1.20 H new ATOM 0 HG21 ILE A 36 -0.334 4.596 3.662 1.00 2.11 H new ATOM 0 HG22 ILE A 36 -0.760 5.344 5.219 1.00 2.11 H new ATOM 0 HG23 ILE A 36 -0.840 3.577 5.030 1.00 2.11 H new ATOM 0 HD11 ILE A 36 -1.971 2.889 1.097 1.00 1.31 H new ATOM 0 HD12 ILE A 36 -1.681 4.621 1.389 1.00 1.31 H new ATOM 0 HD13 ILE A 36 -0.727 3.399 2.263 1.00 1.31 H new ATOM 85 N ARG A 37 -2.333 3.375 7.099 1.00 0.84 N ATOM 86 CA ARG A 37 -2.229 2.329 8.145 1.00 0.77 C ATOM 87 C ARG A 37 -3.606 1.944 8.686 1.00 0.72 C ATOM 88 O ARG A 37 -4.063 0.809 8.518 1.00 0.70 O ATOM 89 CB ARG A 37 -1.329 2.784 9.294 1.00 0.78 C ATOM 90 CG ARG A 37 0.126 2.427 9.001 1.00 1.49 C ATOM 91 CD ARG A 37 1.006 2.930 10.143 1.00 2.52 C ATOM 92 NE ARG A 37 1.629 1.834 10.917 1.00 2.90 N ATOM 93 CZ ARG A 37 2.871 1.384 10.871 1.00 4.42 C ATOM 94 NH1 ARG A 37 3.828 1.934 10.187 1.00 5.69 N ATOM 95 NH2 ARG A 37 3.170 0.318 11.545 1.00 5.38 N ATOM 0 H ARG A 37 -1.649 4.125 7.198 1.00 0.84 H new ATOM 0 HA ARG A 37 -1.782 1.451 7.678 1.00 0.77 H new ATOM 0 HB2 ARG A 37 -1.425 3.860 9.436 1.00 0.78 H new ATOM 0 HB3 ARG A 37 -1.647 2.311 10.223 1.00 0.78 H new ATOM 0 HG2 ARG A 37 0.233 1.348 8.892 1.00 1.49 H new ATOM 0 HG3 ARG A 37 0.440 2.876 8.059 1.00 1.49 H new ATOM 0 HD2 ARG A 37 1.788 3.571 9.737 1.00 2.52 H new ATOM 0 HD3 ARG A 37 0.406 3.545 10.813 1.00 2.52 H new ATOM 0 HE ARG A 37 1.014 1.359 11.578 1.00 2.90 H new ATOM 0 HH11 ARG A 37 3.644 2.772 9.636 1.00 5.69 H new ATOM 0 HH12 ARG A 37 4.764 1.528 10.201 1.00 5.69 H new ATOM 0 HH21 ARG A 37 2.453 -0.155 12.096 1.00 5.38 H new ATOM 0 HH22 ARG A 37 4.122 -0.048 11.525 1.00 5.38 H new ATOM 109 N THR A 38 -4.279 2.915 9.290 1.00 0.79 N ATOM 110 CA THR A 38 -5.566 2.662 9.963 1.00 0.87 C ATOM 111 C THR A 38 -6.686 2.275 8.992 1.00 0.89 C ATOM 112 O THR A 38 -7.372 1.285 9.246 1.00 0.86 O ATOM 113 CB THR A 38 -5.952 3.823 10.889 1.00 1.16 C ATOM 114 OG1 THR A 38 -4.921 4.013 11.836 1.00 1.33 O ATOM 115 CG2 THR A 38 -7.229 3.548 11.685 1.00 1.45 C ATOM 0 H THR A 38 -3.965 3.884 9.333 1.00 0.79 H new ATOM 0 HA THR A 38 -5.424 1.785 10.595 1.00 0.87 H new ATOM 0 HB THR A 38 -6.111 4.693 10.252 1.00 1.16 H new ATOM 0 HG1 THR A 38 -5.157 4.754 12.432 1.00 1.33 H new ATOM 0 HG21 THR A 38 -7.452 4.404 12.322 1.00 1.45 H new ATOM 0 HG22 THR A 38 -8.058 3.382 10.997 1.00 1.45 H new ATOM 0 HG23 THR A 38 -7.088 2.662 12.304 1.00 1.45 H new ATOM 123 N LYS A 39 -6.845 2.950 7.842 1.00 0.98 N ATOM 124 CA LYS A 39 -7.888 2.587 6.857 1.00 1.05 C ATOM 125 C LYS A 39 -7.675 1.198 6.240 1.00 0.98 C ATOM 126 O LYS A 39 -8.664 0.501 5.998 1.00 1.03 O ATOM 127 CB LYS A 39 -8.046 3.681 5.780 1.00 1.20 C ATOM 128 CG LYS A 39 -9.209 4.654 6.062 1.00 1.99 C ATOM 129 CD LYS A 39 -9.134 5.384 7.414 1.00 3.26 C ATOM 130 CE LYS A 39 -10.330 6.324 7.636 1.00 4.40 C ATOM 131 NZ LYS A 39 -11.572 5.619 8.028 1.00 4.75 N ATOM 0 H LYS A 39 -6.270 3.747 7.568 1.00 0.98 H new ATOM 0 HA LYS A 39 -8.827 2.525 7.407 1.00 1.05 H new ATOM 0 HB2 LYS A 39 -7.117 4.247 5.709 1.00 1.20 H new ATOM 0 HB3 LYS A 39 -8.205 3.207 4.812 1.00 1.20 H new ATOM 0 HG2 LYS A 39 -9.241 5.398 5.266 1.00 1.99 H new ATOM 0 HG3 LYS A 39 -10.146 4.099 6.018 1.00 1.99 H new ATOM 0 HD2 LYS A 39 -9.097 4.650 8.219 1.00 3.26 H new ATOM 0 HD3 LYS A 39 -8.209 5.958 7.464 1.00 3.26 H new ATOM 0 HE2 LYS A 39 -10.074 7.048 8.409 1.00 4.40 H new ATOM 0 HE3 LYS A 39 -10.515 6.886 6.721 1.00 4.40 H new ATOM 0 HZ1 LYS A 39 -12.397 6.151 7.683 1.00 4.75 H new ATOM 0 HZ2 LYS A 39 -11.576 4.666 7.612 1.00 4.75 H new ATOM 0 HZ3 LYS A 39 -11.617 5.545 9.064 1.00 4.75 H new ATOM 145 N LEU A 40 -6.433 0.754 6.027 1.00 0.91 N ATOM 146 CA LEU A 40 -6.145 -0.583 5.497 1.00 0.87 C ATOM 147 C LEU A 40 -6.264 -1.681 6.572 1.00 0.80 C ATOM 148 O LEU A 40 -6.704 -2.788 6.254 1.00 0.83 O ATOM 149 CB LEU A 40 -4.784 -0.578 4.781 1.00 0.88 C ATOM 150 CG LEU A 40 -4.775 0.019 3.352 1.00 0.94 C ATOM 151 CD1 LEU A 40 -5.316 -0.998 2.342 1.00 1.09 C ATOM 152 CD2 LEU A 40 -5.557 1.319 3.126 1.00 1.25 C ATOM 0 H LEU A 40 -5.599 1.310 6.217 1.00 0.91 H new ATOM 0 HA LEU A 40 -6.906 -0.835 4.759 1.00 0.87 H new ATOM 0 HB2 LEU A 40 -4.076 -0.019 5.392 1.00 0.88 H new ATOM 0 HB3 LEU A 40 -4.419 -1.604 4.728 1.00 0.88 H new ATOM 0 HG LEU A 40 -3.722 0.264 3.211 1.00 0.94 H new ATOM 0 HD11 LEU A 40 -5.302 -0.562 1.343 1.00 1.09 H new ATOM 0 HD12 LEU A 40 -4.692 -1.892 2.356 1.00 1.09 H new ATOM 0 HD13 LEU A 40 -6.339 -1.265 2.607 1.00 1.09 H new ATOM 0 HD21 LEU A 40 -5.465 1.623 2.083 1.00 1.25 H new ATOM 0 HD22 LEU A 40 -6.608 1.158 3.365 1.00 1.25 H new ATOM 0 HD23 LEU A 40 -5.155 2.102 3.769 1.00 1.25 H new ATOM 164 N GLU A 41 -5.986 -1.398 7.852 1.00 0.73 N ATOM 165 CA GLU A 41 -6.392 -2.307 8.927 1.00 0.70 C ATOM 166 C GLU A 41 -7.916 -2.456 9.036 1.00 0.80 C ATOM 167 O GLU A 41 -8.403 -3.577 9.185 1.00 0.86 O ATOM 168 CB GLU A 41 -5.771 -1.913 10.281 1.00 0.76 C ATOM 169 CG GLU A 41 -4.913 -3.084 10.776 1.00 1.43 C ATOM 170 CD GLU A 41 -4.629 -3.042 12.273 1.00 1.97 C ATOM 171 OE1 GLU A 41 -3.445 -2.927 12.672 1.00 2.49 O ATOM 172 OE2 GLU A 41 -5.582 -3.189 13.064 1.00 3.02 O ATOM 0 H GLU A 41 -5.491 -0.562 8.163 1.00 0.73 H new ATOM 0 HA GLU A 41 -5.999 -3.287 8.655 1.00 0.70 H new ATOM 0 HB2 GLU A 41 -5.162 -1.015 10.173 1.00 0.76 H new ATOM 0 HB3 GLU A 41 -6.553 -1.683 11.005 1.00 0.76 H new ATOM 0 HG2 GLU A 41 -5.418 -4.020 10.536 1.00 1.43 H new ATOM 0 HG3 GLU A 41 -3.967 -3.084 10.235 1.00 1.43 H new ATOM 179 N GLU A 42 -8.671 -1.370 8.852 1.00 0.89 N ATOM 180 CA GLU A 42 -10.131 -1.371 8.766 1.00 1.04 C ATOM 181 C GLU A 42 -10.631 -2.178 7.541 1.00 1.10 C ATOM 182 O GLU A 42 -11.634 -2.896 7.649 1.00 1.22 O ATOM 183 CB GLU A 42 -10.583 0.108 8.789 1.00 1.16 C ATOM 184 CG GLU A 42 -11.841 0.425 7.984 1.00 1.63 C ATOM 185 CD GLU A 42 -12.135 1.932 7.969 1.00 2.50 C ATOM 186 OE1 GLU A 42 -12.495 2.491 9.034 1.00 3.16 O ATOM 187 OE2 GLU A 42 -11.974 2.571 6.902 1.00 3.76 O ATOM 0 H GLU A 42 -8.269 -0.437 8.756 1.00 0.89 H new ATOM 0 HA GLU A 42 -10.584 -1.886 9.613 1.00 1.04 H new ATOM 0 HB2 GLU A 42 -10.752 0.402 9.825 1.00 1.16 H new ATOM 0 HB3 GLU A 42 -9.767 0.725 8.412 1.00 1.16 H new ATOM 0 HG2 GLU A 42 -11.720 0.067 6.962 1.00 1.63 H new ATOM 0 HG3 GLU A 42 -12.691 -0.108 8.410 1.00 1.63 H new ATOM 194 N ALA A 43 -9.914 -2.116 6.410 1.00 1.05 N ATOM 195 CA ALA A 43 -10.281 -2.749 5.136 1.00 1.10 C ATOM 196 C ALA A 43 -10.005 -4.264 5.026 1.00 1.06 C ATOM 197 O ALA A 43 -10.889 -5.007 4.589 1.00 1.17 O ATOM 198 CB ALA A 43 -9.537 -2.015 4.016 1.00 1.13 C ATOM 0 H ALA A 43 -9.032 -1.606 6.356 1.00 1.05 H new ATOM 0 HA ALA A 43 -11.365 -2.664 5.059 1.00 1.10 H new ATOM 0 HB1 ALA A 43 -9.790 -2.464 3.056 1.00 1.13 H new ATOM 0 HB2 ALA A 43 -9.828 -0.965 4.013 1.00 1.13 H new ATOM 0 HB3 ALA A 43 -8.462 -2.093 4.181 1.00 1.13 H new ATOM 204 N LEU A 44 -8.790 -4.733 5.352 1.00 0.96 N ATOM 205 CA LEU A 44 -8.373 -6.134 5.168 1.00 1.03 C ATOM 206 C LEU A 44 -7.751 -6.795 6.408 1.00 1.12 C ATOM 207 O LEU A 44 -7.651 -8.019 6.449 1.00 1.40 O ATOM 208 CB LEU A 44 -7.452 -6.288 3.943 1.00 1.01 C ATOM 209 CG LEU A 44 -6.052 -5.664 4.099 1.00 0.99 C ATOM 210 CD1 LEU A 44 -4.976 -6.523 3.445 1.00 0.77 C ATOM 211 CD2 LEU A 44 -6.012 -4.285 3.458 1.00 1.74 C ATOM 0 H LEU A 44 -8.061 -4.144 5.755 1.00 0.96 H new ATOM 0 HA LEU A 44 -9.302 -6.677 4.992 1.00 1.03 H new ATOM 0 HB2 LEU A 44 -7.338 -7.350 3.724 1.00 1.01 H new ATOM 0 HB3 LEU A 44 -7.941 -5.836 3.080 1.00 1.01 H new ATOM 0 HG LEU A 44 -5.854 -5.594 5.169 1.00 0.99 H new ATOM 0 HD11 LEU A 44 -4.003 -6.050 3.576 1.00 0.77 H new ATOM 0 HD12 LEU A 44 -4.966 -7.509 3.909 1.00 0.77 H new ATOM 0 HD13 LEU A 44 -5.189 -6.625 2.381 1.00 0.77 H new ATOM 0 HD21 LEU A 44 -5.016 -3.857 3.577 1.00 1.74 H new ATOM 0 HD22 LEU A 44 -6.246 -4.370 2.397 1.00 1.74 H new ATOM 0 HD23 LEU A 44 -6.745 -3.638 3.941 1.00 1.74 H new ATOM 223 N SER A 45 -7.336 -6.027 7.418 1.00 1.06 N ATOM 224 CA SER A 45 -6.609 -6.504 8.607 1.00 1.16 C ATOM 225 C SER A 45 -5.288 -7.257 8.292 1.00 0.97 C ATOM 226 O SER A 45 -5.237 -8.488 8.361 1.00 1.15 O ATOM 227 CB SER A 45 -7.559 -7.263 9.548 1.00 1.58 C ATOM 228 OG SER A 45 -7.974 -8.518 9.039 1.00 1.83 O ATOM 0 H SER A 45 -7.500 -5.020 7.436 1.00 1.06 H new ATOM 0 HA SER A 45 -6.258 -5.622 9.143 1.00 1.16 H new ATOM 0 HB2 SER A 45 -7.063 -7.415 10.507 1.00 1.58 H new ATOM 0 HB3 SER A 45 -8.439 -6.648 9.737 1.00 1.58 H new ATOM 0 HG SER A 45 -7.642 -8.626 8.123 1.00 1.83 H new ATOM 234 N PRO A 46 -4.203 -6.537 7.934 1.00 0.73 N ATOM 235 CA PRO A 46 -2.856 -7.094 7.728 1.00 0.63 C ATOM 236 C PRO A 46 -2.315 -8.023 8.832 1.00 0.74 C ATOM 237 O PRO A 46 -2.751 -7.978 9.983 1.00 0.96 O ATOM 238 CB PRO A 46 -1.942 -5.867 7.668 1.00 0.72 C ATOM 239 CG PRO A 46 -2.821 -4.758 7.110 1.00 0.74 C ATOM 240 CD PRO A 46 -4.186 -5.094 7.705 1.00 0.75 C ATOM 0 HA PRO A 46 -2.892 -7.722 6.838 1.00 0.63 H new ATOM 0 HB2 PRO A 46 -1.559 -5.610 8.656 1.00 0.72 H new ATOM 0 HB3 PRO A 46 -1.078 -6.048 7.028 1.00 0.72 H new ATOM 0 HG2 PRO A 46 -2.475 -3.771 7.418 1.00 0.74 H new ATOM 0 HG3 PRO A 46 -2.840 -4.764 6.020 1.00 0.74 H new ATOM 0 HD2 PRO A 46 -4.345 -4.553 8.638 1.00 0.75 H new ATOM 0 HD3 PRO A 46 -4.987 -4.801 7.026 1.00 0.75 H new ATOM 248 N GLU A 47 -1.264 -8.778 8.506 1.00 0.72 N ATOM 249 CA GLU A 47 -0.230 -9.195 9.457 1.00 0.77 C ATOM 250 C GLU A 47 0.675 -8.011 9.822 1.00 0.95 C ATOM 251 O GLU A 47 0.997 -7.807 10.994 1.00 1.14 O ATOM 252 CB GLU A 47 0.655 -10.266 8.813 1.00 0.63 C ATOM 253 CG GLU A 47 1.561 -10.932 9.853 1.00 0.85 C ATOM 254 CD GLU A 47 0.906 -12.004 10.740 1.00 1.42 C ATOM 255 OE1 GLU A 47 -0.231 -12.455 10.465 1.00 1.84 O ATOM 256 OE2 GLU A 47 1.568 -12.418 11.725 1.00 2.59 O ATOM 0 H GLU A 47 -1.104 -9.123 7.559 1.00 0.72 H new ATOM 0 HA GLU A 47 -0.726 -9.578 10.349 1.00 0.77 H new ATOM 0 HB2 GLU A 47 0.029 -11.020 8.335 1.00 0.63 H new ATOM 0 HB3 GLU A 47 1.265 -9.815 8.030 1.00 0.63 H new ATOM 0 HG2 GLU A 47 2.403 -11.387 9.332 1.00 0.85 H new ATOM 0 HG3 GLU A 47 1.968 -10.155 10.500 1.00 0.85 H new ATOM 263 N VAL A 48 1.147 -7.279 8.801 1.00 0.92 N ATOM 264 CA VAL A 48 2.376 -6.463 8.882 1.00 0.97 C ATOM 265 C VAL A 48 2.392 -5.424 7.748 1.00 0.97 C ATOM 266 O VAL A 48 1.824 -5.665 6.681 1.00 1.34 O ATOM 267 CB VAL A 48 3.600 -7.428 8.833 1.00 1.59 C ATOM 268 CG1 VAL A 48 4.772 -7.066 7.923 1.00 0.63 C ATOM 269 CG2 VAL A 48 4.217 -7.645 10.216 1.00 3.58 C ATOM 0 H VAL A 48 0.688 -7.234 7.891 1.00 0.92 H new ATOM 0 HA VAL A 48 2.417 -5.901 9.815 1.00 0.97 H new ATOM 0 HB VAL A 48 3.122 -8.313 8.412 1.00 1.59 H new ATOM 0 HG11 VAL A 48 5.542 -7.833 7.999 1.00 0.63 H new ATOM 0 HG12 VAL A 48 4.425 -7.001 6.892 1.00 0.63 H new ATOM 0 HG13 VAL A 48 5.186 -6.105 8.228 1.00 0.63 H new ATOM 0 HG21 VAL A 48 5.066 -8.324 10.133 1.00 3.58 H new ATOM 0 HG22 VAL A 48 4.554 -6.690 10.618 1.00 3.58 H new ATOM 0 HG23 VAL A 48 3.471 -8.077 10.883 1.00 3.58 H new ATOM 279 N LEU A 49 3.053 -4.279 7.951 1.00 0.93 N ATOM 280 CA LEU A 49 3.362 -3.316 6.882 1.00 1.02 C ATOM 281 C LEU A 49 4.597 -2.446 7.185 1.00 1.04 C ATOM 282 O LEU A 49 4.941 -2.203 8.342 1.00 1.43 O ATOM 283 CB LEU A 49 2.122 -2.477 6.482 1.00 1.25 C ATOM 284 CG LEU A 49 1.199 -1.920 7.581 1.00 1.36 C ATOM 285 CD1 LEU A 49 1.914 -1.006 8.570 1.00 2.14 C ATOM 286 CD2 LEU A 49 0.068 -1.122 6.917 1.00 1.50 C ATOM 0 H LEU A 49 3.392 -3.990 8.868 1.00 0.93 H new ATOM 0 HA LEU A 49 3.636 -3.909 6.009 1.00 1.02 H new ATOM 0 HB2 LEU A 49 2.476 -1.631 5.893 1.00 1.25 H new ATOM 0 HB3 LEU A 49 1.510 -3.092 5.822 1.00 1.25 H new ATOM 0 HG LEU A 49 0.824 -2.775 8.143 1.00 1.36 H new ATOM 0 HD11 LEU A 49 1.203 -0.650 9.316 1.00 2.14 H new ATOM 0 HD12 LEU A 49 2.713 -1.559 9.064 1.00 2.14 H new ATOM 0 HD13 LEU A 49 2.338 -0.154 8.038 1.00 2.14 H new ATOM 0 HD21 LEU A 49 -0.594 -0.721 7.685 1.00 1.50 H new ATOM 0 HD22 LEU A 49 0.493 -0.301 6.339 1.00 1.50 H new ATOM 0 HD23 LEU A 49 -0.499 -1.776 6.255 1.00 1.50 H new ATOM 298 N GLU A 50 5.269 -1.971 6.134 1.00 0.76 N ATOM 299 CA GLU A 50 6.378 -1.018 6.194 1.00 0.73 C ATOM 300 C GLU A 50 6.245 -0.050 5.018 1.00 0.65 C ATOM 301 O GLU A 50 6.120 -0.465 3.870 1.00 0.70 O ATOM 302 CB GLU A 50 7.730 -1.719 6.091 1.00 0.79 C ATOM 303 CG GLU A 50 8.062 -2.658 7.261 1.00 0.97 C ATOM 304 CD GLU A 50 9.549 -3.046 7.340 1.00 1.49 C ATOM 305 OE1 GLU A 50 10.337 -2.749 6.403 1.00 2.76 O ATOM 306 OE2 GLU A 50 9.942 -3.679 8.355 1.00 2.18 O ATOM 0 H GLU A 50 5.046 -2.252 5.179 1.00 0.76 H new ATOM 0 HA GLU A 50 6.333 -0.498 7.151 1.00 0.73 H new ATOM 0 HB2 GLU A 50 7.756 -2.293 5.165 1.00 0.79 H new ATOM 0 HB3 GLU A 50 8.511 -0.962 6.019 1.00 0.79 H new ATOM 0 HG2 GLU A 50 7.771 -2.177 8.195 1.00 0.97 H new ATOM 0 HG3 GLU A 50 7.464 -3.564 7.169 1.00 0.97 H new ATOM 313 N LEU A 51 6.202 1.244 5.283 1.00 0.64 N ATOM 314 CA LEU A 51 5.724 2.252 4.328 1.00 0.65 C ATOM 315 C LEU A 51 6.395 3.637 4.486 1.00 0.73 C ATOM 316 O LEU A 51 6.952 3.948 5.545 1.00 0.82 O ATOM 317 CB LEU A 51 4.179 2.251 4.375 1.00 0.83 C ATOM 318 CG LEU A 51 3.580 3.078 5.514 1.00 1.06 C ATOM 319 CD1 LEU A 51 2.051 3.067 5.524 1.00 1.46 C ATOM 320 CD2 LEU A 51 4.021 2.666 6.916 1.00 1.19 C ATOM 0 H LEU A 51 6.500 1.638 6.176 1.00 0.64 H new ATOM 0 HA LEU A 51 6.034 1.983 3.318 1.00 0.65 H new ATOM 0 HB2 LEU A 51 3.799 2.632 3.427 1.00 0.83 H new ATOM 0 HB3 LEU A 51 3.831 1.222 4.468 1.00 0.83 H new ATOM 0 HG LEU A 51 3.969 4.072 5.295 1.00 1.06 H new ATOM 0 HD11 LEU A 51 1.688 3.671 6.355 1.00 1.46 H new ATOM 0 HD12 LEU A 51 1.678 3.479 4.586 1.00 1.46 H new ATOM 0 HD13 LEU A 51 1.695 2.043 5.638 1.00 1.46 H new ATOM 0 HD21 LEU A 51 3.542 3.312 7.652 1.00 1.19 H new ATOM 0 HD22 LEU A 51 3.732 1.631 7.099 1.00 1.19 H new ATOM 0 HD23 LEU A 51 5.104 2.761 6.999 1.00 1.19 H new ATOM 332 N ARG A 52 6.335 4.483 3.447 1.00 0.79 N ATOM 333 CA ARG A 52 7.026 5.785 3.376 1.00 0.84 C ATOM 334 C ARG A 52 6.426 6.688 2.289 1.00 0.80 C ATOM 335 O ARG A 52 6.023 6.206 1.232 1.00 0.83 O ATOM 336 CB ARG A 52 8.519 5.507 3.094 1.00 0.94 C ATOM 337 CG ARG A 52 9.364 6.768 2.871 1.00 1.53 C ATOM 338 CD ARG A 52 10.858 6.436 2.810 1.00 2.08 C ATOM 339 NE ARG A 52 11.652 7.605 2.388 1.00 3.02 N ATOM 340 CZ ARG A 52 11.859 8.012 1.148 1.00 4.38 C ATOM 341 NH1 ARG A 52 11.356 7.429 0.100 1.00 5.40 N ATOM 342 NH2 ARG A 52 12.607 9.046 0.922 1.00 5.26 N ATOM 0 H ARG A 52 5.791 4.278 2.609 1.00 0.79 H new ATOM 0 HA ARG A 52 6.906 6.316 4.320 1.00 0.84 H new ATOM 0 HB2 ARG A 52 8.937 4.947 3.931 1.00 0.94 H new ATOM 0 HB3 ARG A 52 8.598 4.870 2.213 1.00 0.94 H new ATOM 0 HG2 ARG A 52 9.059 7.253 1.943 1.00 1.53 H new ATOM 0 HG3 ARG A 52 9.180 7.478 3.677 1.00 1.53 H new ATOM 0 HD2 ARG A 52 11.197 6.098 3.789 1.00 2.08 H new ATOM 0 HD3 ARG A 52 11.021 5.613 2.114 1.00 2.08 H new ATOM 0 HE ARG A 52 12.086 8.156 3.129 1.00 3.02 H new ATOM 0 HH11 ARG A 52 10.763 6.607 0.209 1.00 5.40 H new ATOM 0 HH12 ARG A 52 11.555 7.794 -0.831 1.00 5.40 H new ATOM 0 HH21 ARG A 52 13.036 9.545 1.701 1.00 5.26 H new ATOM 0 HH22 ARG A 52 12.767 9.360 -0.035 1.00 5.26 H new ATOM 356 N ASN A 53 6.431 8.005 2.504 1.00 0.80 N ATOM 357 CA ASN A 53 6.131 8.992 1.470 1.00 0.78 C ATOM 358 C ASN A 53 7.391 9.458 0.700 1.00 0.75 C ATOM 359 O ASN A 53 8.461 9.670 1.278 1.00 0.95 O ATOM 360 CB ASN A 53 5.195 10.073 2.047 1.00 0.94 C ATOM 361 CG ASN A 53 5.784 11.216 2.861 1.00 1.33 C ATOM 362 OD1 ASN A 53 6.967 11.514 2.876 1.00 2.07 O ATOM 363 ND2 ASN A 53 4.933 11.947 3.537 1.00 1.15 N ATOM 0 H ASN A 53 6.646 8.419 3.411 1.00 0.80 H new ATOM 0 HA ASN A 53 5.560 8.540 0.659 1.00 0.78 H new ATOM 0 HB2 ASN A 53 4.650 10.513 1.212 1.00 0.94 H new ATOM 0 HB3 ASN A 53 4.461 9.568 2.676 1.00 0.94 H new ATOM 0 HD21 ASN A 53 5.262 12.754 4.067 1.00 1.15 H new ATOM 0 HD22 ASN A 53 3.941 11.709 3.533 1.00 1.15 H new ATOM 370 N GLU A 54 7.263 9.585 -0.625 1.00 0.77 N ATOM 371 CA GLU A 54 8.354 9.903 -1.574 1.00 0.89 C ATOM 372 C GLU A 54 8.214 11.303 -2.215 1.00 0.81 C ATOM 373 O GLU A 54 9.124 11.785 -2.897 1.00 1.02 O ATOM 374 CB GLU A 54 8.495 8.776 -2.619 1.00 1.12 C ATOM 375 CG GLU A 54 7.264 8.597 -3.525 1.00 2.71 C ATOM 376 CD GLU A 54 7.426 7.515 -4.605 1.00 3.28 C ATOM 377 OE1 GLU A 54 6.730 7.599 -5.641 1.00 4.37 O ATOM 378 OE2 GLU A 54 8.244 6.578 -4.460 1.00 3.53 O ATOM 0 H GLU A 54 6.364 9.466 -1.092 1.00 0.77 H new ATOM 0 HA GLU A 54 9.283 9.953 -1.005 1.00 0.89 H new ATOM 0 HB2 GLU A 54 9.365 8.982 -3.243 1.00 1.12 H new ATOM 0 HB3 GLU A 54 8.690 7.837 -2.100 1.00 1.12 H new ATOM 0 HG2 GLU A 54 6.403 8.348 -2.904 1.00 2.71 H new ATOM 0 HG3 GLU A 54 7.043 9.548 -4.010 1.00 2.71 H new ATOM 385 N SER A 55 7.086 11.979 -1.966 1.00 0.64 N ATOM 386 CA SER A 55 6.713 13.310 -2.465 1.00 0.66 C ATOM 387 C SER A 55 7.627 14.479 -2.097 1.00 0.86 C ATOM 388 O SER A 55 7.500 15.557 -2.678 1.00 1.08 O ATOM 389 CB SER A 55 5.310 13.615 -1.972 1.00 0.64 C ATOM 390 OG SER A 55 5.240 13.751 -0.568 1.00 1.43 O ATOM 0 H SER A 55 6.359 11.584 -1.369 1.00 0.64 H new ATOM 0 HA SER A 55 6.800 13.238 -3.549 1.00 0.66 H new ATOM 0 HB2 SER A 55 4.958 14.535 -2.439 1.00 0.64 H new ATOM 0 HB3 SER A 55 4.637 12.818 -2.289 1.00 0.64 H new ATOM 0 HG SER A 55 4.744 14.566 -0.343 1.00 1.43 H new ATOM 396 N GLY A 56 8.577 14.281 -1.186 1.00 0.95 N ATOM 397 CA GLY A 56 9.651 15.252 -0.945 1.00 1.20 C ATOM 398 C GLY A 56 10.602 15.373 -2.147 1.00 1.36 C ATOM 399 O GLY A 56 11.239 16.410 -2.322 1.00 1.65 O ATOM 0 H GLY A 56 8.628 13.451 -0.596 1.00 0.95 H new ATOM 0 HA2 GLY A 56 9.215 16.227 -0.728 1.00 1.20 H new ATOM 0 HA3 GLY A 56 10.218 14.953 -0.063 1.00 1.20 H new ATOM 403 N GLY A 57 10.582 14.386 -3.053 1.00 1.29 N ATOM 404 CA GLY A 57 11.285 14.368 -4.340 1.00 1.50 C ATOM 405 C GLY A 57 10.451 14.762 -5.562 1.00 1.81 C ATOM 406 O GLY A 57 10.788 14.321 -6.662 1.00 2.90 O ATOM 0 H GLY A 57 10.045 13.533 -2.898 1.00 1.29 H new ATOM 0 HA2 GLY A 57 12.140 15.041 -4.275 1.00 1.50 H new ATOM 0 HA3 GLY A 57 11.681 13.365 -4.502 1.00 1.50 H new ATOM 410 N HIS A 58 9.349 15.501 -5.395 1.00 1.45 N ATOM 411 CA HIS A 58 8.438 15.889 -6.484 1.00 1.69 C ATOM 412 C HIS A 58 8.310 17.408 -6.672 1.00 1.92 C ATOM 413 O HIS A 58 8.656 18.196 -5.789 1.00 1.77 O ATOM 414 CB HIS A 58 7.082 15.186 -6.297 1.00 1.55 C ATOM 415 CG HIS A 58 7.132 13.798 -6.880 1.00 1.77 C ATOM 416 ND1 HIS A 58 6.847 13.482 -8.186 1.00 2.36 N ATOM 417 CD2 HIS A 58 7.654 12.674 -6.300 1.00 1.54 C ATOM 418 CE1 HIS A 58 7.173 12.197 -8.391 1.00 2.45 C ATOM 419 NE2 HIS A 58 7.722 11.671 -7.277 1.00 1.94 N ATOM 0 H HIS A 58 9.057 15.854 -4.484 1.00 1.45 H new ATOM 0 HA HIS A 58 8.877 15.548 -7.422 1.00 1.69 H new ATOM 0 HB2 HIS A 58 6.834 15.135 -5.237 1.00 1.55 H new ATOM 0 HB3 HIS A 58 6.295 15.764 -6.781 1.00 1.55 H new ATOM 0 HD2 HIS A 58 7.960 12.577 -5.269 1.00 1.54 H new ATOM 0 HE1 HIS A 58 7.018 11.661 -9.315 1.00 2.45 H new ATOM 0 HE2 HIS A 58 8.108 10.733 -7.168 1.00 1.94 H new ATOM 427 N ALA A 59 7.795 17.821 -7.835 1.00 2.95 N ATOM 428 CA ALA A 59 7.638 19.221 -8.241 1.00 3.44 C ATOM 429 C ALA A 59 6.359 19.853 -7.643 1.00 3.09 C ATOM 430 O ALA A 59 5.458 20.285 -8.373 1.00 3.68 O ATOM 431 CB ALA A 59 7.715 19.289 -9.771 1.00 4.24 C ATOM 0 H ALA A 59 7.465 17.166 -8.544 1.00 2.95 H new ATOM 0 HA ALA A 59 8.448 19.828 -7.837 1.00 3.44 H new ATOM 0 HB1 ALA A 59 7.600 20.323 -10.095 1.00 4.24 H new ATOM 0 HB2 ALA A 59 8.681 18.909 -10.104 1.00 4.24 H new ATOM 0 HB3 ALA A 59 6.918 18.683 -10.203 1.00 4.24 H new ATOM 437 N VAL A 60 6.251 19.819 -6.310 1.00 2.28 N ATOM 438 CA VAL A 60 5.025 20.066 -5.523 1.00 1.87 C ATOM 439 C VAL A 60 5.201 21.178 -4.472 1.00 1.94 C ATOM 440 O VAL A 60 6.337 21.499 -4.101 1.00 2.33 O ATOM 441 CB VAL A 60 4.538 18.759 -4.848 1.00 1.43 C ATOM 442 CG1 VAL A 60 4.073 17.749 -5.899 1.00 1.61 C ATOM 443 CG2 VAL A 60 5.573 18.100 -3.927 1.00 1.44 C ATOM 0 H VAL A 60 7.053 19.608 -5.716 1.00 2.28 H new ATOM 0 HA VAL A 60 4.268 20.413 -6.227 1.00 1.87 H new ATOM 0 HB VAL A 60 3.705 19.059 -4.213 1.00 1.43 H new ATOM 0 HG11 VAL A 60 3.735 16.838 -5.404 1.00 1.61 H new ATOM 0 HG12 VAL A 60 3.252 18.175 -6.475 1.00 1.61 H new ATOM 0 HG13 VAL A 60 4.901 17.513 -6.568 1.00 1.61 H new ATOM 0 HG21 VAL A 60 5.151 17.192 -3.496 1.00 1.44 H new ATOM 0 HG22 VAL A 60 6.464 17.848 -4.502 1.00 1.44 H new ATOM 0 HG23 VAL A 60 5.841 18.791 -3.127 1.00 1.44 H new ATOM 453 N PRO A 61 4.105 21.760 -3.941 1.00 1.72 N ATOM 454 CA PRO A 61 4.152 22.662 -2.791 1.00 1.79 C ATOM 455 C PRO A 61 4.875 22.043 -1.577 1.00 2.03 C ATOM 456 O PRO A 61 4.817 20.821 -1.390 1.00 1.96 O ATOM 457 CB PRO A 61 2.691 22.998 -2.470 1.00 1.64 C ATOM 458 CG PRO A 61 1.990 22.829 -3.814 1.00 1.68 C ATOM 459 CD PRO A 61 2.738 21.648 -4.425 1.00 1.58 C ATOM 0 HA PRO A 61 4.730 23.556 -3.026 1.00 1.79 H new ATOM 0 HB2 PRO A 61 2.280 22.328 -1.715 1.00 1.64 H new ATOM 0 HB3 PRO A 61 2.586 24.013 -2.086 1.00 1.64 H new ATOM 0 HG2 PRO A 61 0.927 22.619 -3.695 1.00 1.68 H new ATOM 0 HG3 PRO A 61 2.071 23.724 -4.430 1.00 1.68 H new ATOM 0 HD2 PRO A 61 2.291 20.701 -4.122 1.00 1.58 H new ATOM 0 HD3 PRO A 61 2.703 21.683 -5.514 1.00 1.58 H new ATOM 467 N PRO A 62 5.556 22.853 -0.743 1.00 2.49 N ATOM 468 CA PRO A 62 6.412 22.357 0.333 1.00 3.14 C ATOM 469 C PRO A 62 5.631 21.493 1.330 1.00 3.17 C ATOM 470 O PRO A 62 4.542 21.862 1.782 1.00 2.95 O ATOM 471 CB PRO A 62 7.025 23.601 0.990 1.00 3.59 C ATOM 472 CG PRO A 62 6.034 24.715 0.649 1.00 2.93 C ATOM 473 CD PRO A 62 5.535 24.307 -0.736 1.00 2.56 C ATOM 0 HA PRO A 62 7.192 21.699 -0.051 1.00 3.14 H new ATOM 0 HB2 PRO A 62 7.130 23.474 2.067 1.00 3.59 H new ATOM 0 HB3 PRO A 62 8.019 23.814 0.596 1.00 3.59 H new ATOM 0 HG2 PRO A 62 5.221 24.769 1.373 1.00 2.93 H new ATOM 0 HG3 PRO A 62 6.514 25.694 0.635 1.00 2.93 H new ATOM 0 HD2 PRO A 62 4.529 24.686 -0.918 1.00 2.56 H new ATOM 0 HD3 PRO A 62 6.175 24.713 -1.519 1.00 2.56 H new ATOM 481 N GLY A 63 6.190 20.328 1.657 1.00 3.66 N ATOM 482 CA GLY A 63 5.627 19.350 2.595 1.00 3.95 C ATOM 483 C GLY A 63 4.452 18.518 2.062 1.00 3.21 C ATOM 484 O GLY A 63 3.999 17.614 2.766 1.00 3.58 O ATOM 0 H GLY A 63 7.081 20.026 1.262 1.00 3.66 H new ATOM 0 HA2 GLY A 63 6.421 18.669 2.902 1.00 3.95 H new ATOM 0 HA3 GLY A 63 5.298 19.879 3.489 1.00 3.95 H new ATOM 488 N SER A 64 3.959 18.775 0.843 1.00 2.29 N ATOM 489 CA SER A 64 2.754 18.141 0.307 1.00 1.56 C ATOM 490 C SER A 64 2.918 16.623 0.163 1.00 1.05 C ATOM 491 O SER A 64 3.839 16.124 -0.493 1.00 1.29 O ATOM 492 CB SER A 64 2.346 18.784 -1.022 1.00 1.18 C ATOM 493 OG SER A 64 1.010 18.419 -1.310 1.00 1.68 O ATOM 0 H SER A 64 4.392 19.436 0.198 1.00 2.29 H new ATOM 0 HA SER A 64 1.952 18.306 1.026 1.00 1.56 H new ATOM 0 HB2 SER A 64 2.437 19.868 -0.961 1.00 1.18 H new ATOM 0 HB3 SER A 64 3.009 18.453 -1.821 1.00 1.18 H new ATOM 0 HG SER A 64 0.735 18.826 -2.158 1.00 1.68 H new ATOM 499 N GLU A 65 2.014 15.882 0.798 1.00 1.31 N ATOM 500 CA GLU A 65 2.008 14.414 0.896 1.00 1.19 C ATOM 501 C GLU A 65 1.300 13.774 -0.318 1.00 1.24 C ATOM 502 O GLU A 65 0.272 13.110 -0.170 1.00 1.52 O ATOM 503 CB GLU A 65 1.370 13.967 2.229 1.00 1.41 C ATOM 504 CG GLU A 65 2.050 14.498 3.494 1.00 1.59 C ATOM 505 CD GLU A 65 1.241 14.106 4.736 1.00 1.67 C ATOM 506 OE1 GLU A 65 1.553 13.063 5.362 1.00 2.25 O ATOM 507 OE2 GLU A 65 0.317 14.864 5.125 1.00 2.62 O ATOM 0 H GLU A 65 1.223 16.304 1.285 1.00 1.31 H new ATOM 0 HA GLU A 65 3.040 14.064 0.883 1.00 1.19 H new ATOM 0 HB2 GLU A 65 0.327 14.284 2.237 1.00 1.41 H new ATOM 0 HB3 GLU A 65 1.372 12.878 2.266 1.00 1.41 H new ATOM 0 HG2 GLU A 65 3.061 14.096 3.568 1.00 1.59 H new ATOM 0 HG3 GLU A 65 2.141 15.583 3.438 1.00 1.59 H new ATOM 514 N THR A 66 1.786 14.012 -1.543 1.00 1.10 N ATOM 515 CA THR A 66 1.095 13.567 -2.769 1.00 1.27 C ATOM 516 C THR A 66 1.404 12.124 -3.167 1.00 1.29 C ATOM 517 O THR A 66 0.620 11.502 -3.881 1.00 1.60 O ATOM 518 CB THR A 66 1.408 14.481 -3.965 1.00 1.29 C ATOM 519 OG1 THR A 66 2.762 14.380 -4.337 1.00 1.35 O ATOM 520 CG2 THR A 66 1.141 15.958 -3.686 1.00 1.42 C ATOM 0 H THR A 66 2.658 14.512 -1.716 1.00 1.10 H new ATOM 0 HA THR A 66 0.036 13.625 -2.517 1.00 1.27 H new ATOM 0 HB THR A 66 0.744 14.138 -4.758 1.00 1.29 H new ATOM 0 HG1 THR A 66 2.902 14.840 -5.191 1.00 1.35 H new ATOM 0 HG21 THR A 66 1.383 16.545 -4.572 1.00 1.42 H new ATOM 0 HG22 THR A 66 0.089 16.097 -3.435 1.00 1.42 H new ATOM 0 HG23 THR A 66 1.760 16.288 -2.852 1.00 1.42 H new ATOM 528 N HIS A 67 2.547 11.601 -2.723 1.00 1.03 N ATOM 529 CA HIS A 67 3.269 10.523 -3.397 1.00 1.00 C ATOM 530 C HIS A 67 3.802 9.500 -2.396 1.00 0.83 C ATOM 531 O HIS A 67 4.509 9.874 -1.452 1.00 0.69 O ATOM 532 CB HIS A 67 4.421 11.128 -4.204 1.00 0.93 C ATOM 533 CG HIS A 67 4.417 10.760 -5.647 1.00 1.27 C ATOM 534 ND1 HIS A 67 5.216 9.890 -6.351 1.00 1.70 N ATOM 535 CD2 HIS A 67 3.529 11.300 -6.514 1.00 1.41 C ATOM 536 CE1 HIS A 67 4.823 9.936 -7.634 1.00 2.03 C ATOM 537 NE2 HIS A 67 3.795 10.791 -7.790 1.00 1.83 N ATOM 0 H HIS A 67 3.005 11.921 -1.869 1.00 1.03 H new ATOM 0 HA HIS A 67 2.582 10.000 -4.063 1.00 1.00 H new ATOM 0 HB2 HIS A 67 4.379 12.214 -4.118 1.00 0.93 H new ATOM 0 HB3 HIS A 67 5.365 10.810 -3.762 1.00 0.93 H new ATOM 0 HD1 HIS A 67 5.968 9.316 -5.969 1.00 1.70 H new ATOM 0 HD2 HIS A 67 2.749 12.003 -6.264 1.00 1.41 H new ATOM 0 HE1 HIS A 67 5.271 9.364 -8.433 1.00 2.03 H new ATOM 545 N PHE A 68 3.480 8.221 -2.593 1.00 0.90 N ATOM 546 CA PHE A 68 3.599 7.226 -1.518 1.00 0.84 C ATOM 547 C PHE A 68 4.083 5.821 -1.952 1.00 0.81 C ATOM 548 O PHE A 68 3.894 5.400 -3.098 1.00 0.88 O ATOM 549 CB PHE A 68 2.243 7.202 -0.780 1.00 1.09 C ATOM 550 CG PHE A 68 2.318 6.700 0.640 1.00 1.19 C ATOM 551 CD1 PHE A 68 2.123 5.335 0.901 1.00 1.93 C ATOM 552 CD2 PHE A 68 2.577 7.593 1.700 1.00 2.54 C ATOM 553 CE1 PHE A 68 2.208 4.861 2.217 1.00 2.21 C ATOM 554 CE2 PHE A 68 2.660 7.116 3.022 1.00 2.79 C ATOM 555 CZ PHE A 68 2.473 5.750 3.267 1.00 1.97 C ATOM 0 H PHE A 68 3.137 7.848 -3.478 1.00 0.90 H new ATOM 0 HA PHE A 68 4.406 7.533 -0.852 1.00 0.84 H new ATOM 0 HB2 PHE A 68 1.827 8.210 -0.775 1.00 1.09 H new ATOM 0 HB3 PHE A 68 1.549 6.574 -1.339 1.00 1.09 H new ATOM 0 HD1 PHE A 68 1.908 4.653 0.091 1.00 1.93 H new ATOM 0 HD2 PHE A 68 2.712 8.645 1.497 1.00 2.54 H new ATOM 0 HE1 PHE A 68 2.069 3.810 2.422 1.00 2.21 H new ATOM 0 HE2 PHE A 68 2.865 7.795 3.837 1.00 2.79 H new ATOM 0 HZ PHE A 68 2.534 5.377 4.279 1.00 1.97 H new ATOM 565 N ARG A 69 4.680 5.067 -1.016 1.00 0.79 N ATOM 566 CA ARG A 69 4.987 3.633 -1.152 1.00 0.88 C ATOM 567 C ARG A 69 4.545 2.850 0.088 1.00 0.90 C ATOM 568 O ARG A 69 4.881 3.221 1.211 1.00 0.85 O ATOM 569 CB ARG A 69 6.494 3.426 -1.423 1.00 0.87 C ATOM 570 CG ARG A 69 6.840 1.980 -1.839 1.00 1.82 C ATOM 571 CD ARG A 69 6.419 1.685 -3.288 1.00 1.95 C ATOM 572 NE ARG A 69 7.473 2.037 -4.251 1.00 2.26 N ATOM 573 CZ ARG A 69 8.580 1.383 -4.541 1.00 2.89 C ATOM 574 NH1 ARG A 69 8.940 0.273 -3.969 1.00 3.55 N ATOM 575 NH2 ARG A 69 9.364 1.881 -5.443 1.00 3.77 N ATOM 0 H ARG A 69 4.972 5.449 -0.116 1.00 0.79 H new ATOM 0 HA ARG A 69 4.426 3.248 -2.004 1.00 0.88 H new ATOM 0 HB2 ARG A 69 6.813 4.110 -2.209 1.00 0.87 H new ATOM 0 HB3 ARG A 69 7.057 3.685 -0.527 1.00 0.87 H new ATOM 0 HG2 ARG A 69 7.913 1.818 -1.732 1.00 1.82 H new ATOM 0 HG3 ARG A 69 6.344 1.280 -1.167 1.00 1.82 H new ATOM 0 HD2 ARG A 69 6.177 0.627 -3.387 1.00 1.95 H new ATOM 0 HD3 ARG A 69 5.513 2.243 -3.523 1.00 1.95 H new ATOM 0 HE ARG A 69 7.328 2.906 -4.765 1.00 2.26 H new ATOM 0 HH11 ARG A 69 8.351 -0.143 -3.247 1.00 3.55 H new ATOM 0 HH12 ARG A 69 9.811 -0.182 -4.242 1.00 3.55 H new ATOM 0 HH21 ARG A 69 9.117 2.755 -5.907 1.00 3.77 H new ATOM 0 HH22 ARG A 69 10.228 1.399 -5.690 1.00 3.77 H new ATOM 589 N VAL A 70 3.843 1.735 -0.120 1.00 1.02 N ATOM 590 CA VAL A 70 3.483 0.758 0.924 1.00 0.90 C ATOM 591 C VAL A 70 4.104 -0.605 0.632 1.00 0.75 C ATOM 592 O VAL A 70 3.948 -1.131 -0.470 1.00 0.86 O ATOM 593 CB VAL A 70 1.956 0.542 1.085 1.00 1.00 C ATOM 594 CG1 VAL A 70 1.610 0.464 2.578 1.00 1.17 C ATOM 595 CG2 VAL A 70 1.051 1.581 0.410 1.00 1.06 C ATOM 0 H VAL A 70 3.497 1.474 -1.043 1.00 1.02 H new ATOM 0 HA VAL A 70 3.870 1.188 1.848 1.00 0.90 H new ATOM 0 HB VAL A 70 1.749 -0.392 0.562 1.00 1.00 H new ATOM 0 HG11 VAL A 70 0.537 0.312 2.695 1.00 1.17 H new ATOM 0 HG12 VAL A 70 2.146 -0.369 3.033 1.00 1.17 H new ATOM 0 HG13 VAL A 70 1.901 1.393 3.068 1.00 1.17 H new ATOM 0 HG21 VAL A 70 0.007 1.326 0.591 1.00 1.06 H new ATOM 0 HG22 VAL A 70 1.260 2.568 0.822 1.00 1.06 H new ATOM 0 HG23 VAL A 70 1.242 1.588 -0.663 1.00 1.06 H new ATOM 605 N ALA A 71 4.687 -1.232 1.649 1.00 0.60 N ATOM 606 CA ALA A 71 4.855 -2.689 1.688 1.00 0.56 C ATOM 607 C ALA A 71 3.804 -3.268 2.641 1.00 0.57 C ATOM 608 O ALA A 71 3.663 -2.776 3.760 1.00 0.59 O ATOM 609 CB ALA A 71 6.290 -3.074 2.074 1.00 0.59 C ATOM 0 H ALA A 71 5.057 -0.751 2.469 1.00 0.60 H new ATOM 0 HA ALA A 71 4.698 -3.115 0.697 1.00 0.56 H new ATOM 0 HB1 ALA A 71 6.382 -4.160 2.094 1.00 0.59 H new ATOM 0 HB2 ALA A 71 6.986 -2.664 1.342 1.00 0.59 H new ATOM 0 HB3 ALA A 71 6.522 -2.672 3.060 1.00 0.59 H new ATOM 615 N VAL A 72 3.044 -4.273 2.197 1.00 0.64 N ATOM 616 CA VAL A 72 1.887 -4.819 2.928 1.00 0.69 C ATOM 617 C VAL A 72 1.905 -6.344 2.955 1.00 0.73 C ATOM 618 O VAL A 72 2.137 -6.995 1.935 1.00 0.80 O ATOM 619 CB VAL A 72 0.538 -4.310 2.374 1.00 0.76 C ATOM 620 CG1 VAL A 72 0.354 -2.819 2.667 1.00 1.71 C ATOM 621 CG2 VAL A 72 0.349 -4.515 0.863 1.00 1.39 C ATOM 0 H VAL A 72 3.214 -4.740 1.306 1.00 0.64 H new ATOM 0 HA VAL A 72 1.980 -4.453 3.950 1.00 0.69 H new ATOM 0 HB VAL A 72 -0.209 -4.916 2.887 1.00 0.76 H new ATOM 0 HG11 VAL A 72 -0.603 -2.485 2.267 1.00 1.71 H new ATOM 0 HG12 VAL A 72 0.374 -2.655 3.744 1.00 1.71 H new ATOM 0 HG13 VAL A 72 1.160 -2.254 2.199 1.00 1.71 H new ATOM 0 HG21 VAL A 72 -0.625 -4.128 0.562 1.00 1.39 H new ATOM 0 HG22 VAL A 72 1.133 -3.984 0.323 1.00 1.39 H new ATOM 0 HG23 VAL A 72 0.405 -5.578 0.630 1.00 1.39 H new ATOM 631 N VAL A 73 1.644 -6.919 4.129 1.00 0.71 N ATOM 632 CA VAL A 73 1.753 -8.360 4.387 1.00 0.79 C ATOM 633 C VAL A 73 0.489 -8.866 5.075 1.00 0.72 C ATOM 634 O VAL A 73 0.119 -8.346 6.134 1.00 0.72 O ATOM 635 CB VAL A 73 2.991 -8.675 5.238 1.00 1.08 C ATOM 636 CG1 VAL A 73 3.210 -10.183 5.367 1.00 0.88 C ATOM 637 CG2 VAL A 73 4.263 -8.054 4.646 1.00 1.86 C ATOM 0 H VAL A 73 1.344 -6.387 4.946 1.00 0.71 H new ATOM 0 HA VAL A 73 1.864 -8.872 3.431 1.00 0.79 H new ATOM 0 HB VAL A 73 2.801 -8.243 6.221 1.00 1.08 H new ATOM 0 HG11 VAL A 73 4.094 -10.371 5.976 1.00 0.88 H new ATOM 0 HG12 VAL A 73 2.340 -10.638 5.841 1.00 0.88 H new ATOM 0 HG13 VAL A 73 3.352 -10.616 4.377 1.00 0.88 H new ATOM 0 HG21 VAL A 73 5.116 -8.300 5.278 1.00 1.86 H new ATOM 0 HG22 VAL A 73 4.428 -8.449 3.643 1.00 1.86 H new ATOM 0 HG23 VAL A 73 4.150 -6.971 4.595 1.00 1.86 H new ATOM 647 N SER A 74 -0.170 -9.871 4.486 1.00 0.71 N ATOM 648 CA SER A 74 -1.489 -10.361 4.935 1.00 0.65 C ATOM 649 C SER A 74 -1.744 -11.835 4.591 1.00 0.79 C ATOM 650 O SER A 74 -1.361 -12.310 3.521 1.00 0.87 O ATOM 651 CB SER A 74 -2.576 -9.490 4.293 1.00 0.53 C ATOM 652 OG SER A 74 -3.873 -10.018 4.493 1.00 0.57 O ATOM 0 H SER A 74 0.196 -10.374 3.678 1.00 0.71 H new ATOM 0 HA SER A 74 -1.510 -10.291 6.023 1.00 0.65 H new ATOM 0 HB2 SER A 74 -2.527 -8.484 4.711 1.00 0.53 H new ATOM 0 HB3 SER A 74 -2.383 -9.401 3.224 1.00 0.53 H new ATOM 0 HG SER A 74 -4.418 -9.368 4.984 1.00 0.57 H new ATOM 658 N SER A 75 -2.449 -12.558 5.473 1.00 0.87 N ATOM 659 CA SER A 75 -2.895 -13.943 5.219 1.00 1.02 C ATOM 660 C SER A 75 -3.944 -14.054 4.101 1.00 1.02 C ATOM 661 O SER A 75 -4.186 -15.160 3.604 1.00 1.28 O ATOM 662 CB SER A 75 -3.485 -14.577 6.487 1.00 1.13 C ATOM 663 OG SER A 75 -2.511 -14.717 7.500 1.00 2.06 O ATOM 0 H SER A 75 -2.729 -12.201 6.387 1.00 0.87 H new ATOM 0 HA SER A 75 -1.998 -14.474 4.902 1.00 1.02 H new ATOM 0 HB2 SER A 75 -4.306 -13.961 6.854 1.00 1.13 H new ATOM 0 HB3 SER A 75 -3.902 -15.554 6.245 1.00 1.13 H new ATOM 0 HG SER A 75 -2.920 -15.122 8.293 1.00 2.06 H new ATOM 669 N ARG A 76 -4.573 -12.939 3.694 1.00 0.87 N ATOM 670 CA ARG A 76 -5.647 -12.888 2.684 1.00 0.99 C ATOM 671 C ARG A 76 -5.181 -13.105 1.246 1.00 1.07 C ATOM 672 O ARG A 76 -5.968 -13.549 0.413 1.00 1.37 O ATOM 673 CB ARG A 76 -6.392 -11.553 2.777 1.00 0.93 C ATOM 674 CG ARG A 76 -7.188 -11.433 4.089 1.00 1.95 C ATOM 675 CD ARG A 76 -8.313 -10.401 3.958 1.00 1.48 C ATOM 676 NE ARG A 76 -9.005 -10.158 5.238 1.00 2.72 N ATOM 677 CZ ARG A 76 -10.007 -10.831 5.772 1.00 2.96 C ATOM 678 NH1 ARG A 76 -10.479 -11.935 5.278 1.00 2.95 N ATOM 679 NH2 ARG A 76 -10.588 -10.411 6.853 1.00 4.22 N ATOM 0 H ARG A 76 -4.342 -12.019 4.069 1.00 0.87 H new ATOM 0 HA ARG A 76 -6.305 -13.724 2.920 1.00 0.99 H new ATOM 0 HB2 ARG A 76 -5.678 -10.733 2.709 1.00 0.93 H new ATOM 0 HB3 ARG A 76 -7.071 -11.456 1.930 1.00 0.93 H new ATOM 0 HG2 ARG A 76 -7.609 -12.403 4.353 1.00 1.95 H new ATOM 0 HG3 ARG A 76 -6.518 -11.145 4.899 1.00 1.95 H new ATOM 0 HD2 ARG A 76 -7.900 -9.463 3.587 1.00 1.48 H new ATOM 0 HD3 ARG A 76 -9.035 -10.746 3.218 1.00 1.48 H new ATOM 0 HE ARG A 76 -8.664 -9.365 5.782 1.00 2.72 H new ATOM 0 HH11 ARG A 76 -10.072 -12.329 4.430 1.00 2.95 H new ATOM 0 HH12 ARG A 76 -11.256 -12.408 5.738 1.00 2.95 H new ATOM 0 HH21 ARG A 76 -10.272 -9.551 7.301 1.00 4.22 H new ATOM 0 HH22 ARG A 76 -11.361 -10.941 7.255 1.00 4.22 H new ATOM 693 N PHE A 77 -3.916 -12.812 0.954 1.00 0.89 N ATOM 694 CA PHE A 77 -3.327 -12.743 -0.385 1.00 0.89 C ATOM 695 C PHE A 77 -2.939 -14.128 -0.932 1.00 0.96 C ATOM 696 O PHE A 77 -1.958 -14.276 -1.657 1.00 1.07 O ATOM 697 CB PHE A 77 -2.130 -11.774 -0.354 1.00 0.85 C ATOM 698 CG PHE A 77 -2.354 -10.345 0.126 1.00 0.87 C ATOM 699 CD1 PHE A 77 -1.225 -9.578 0.473 1.00 1.69 C ATOM 700 CD2 PHE A 77 -3.632 -9.756 0.199 1.00 1.62 C ATOM 701 CE1 PHE A 77 -1.366 -8.252 0.919 1.00 1.84 C ATOM 702 CE2 PHE A 77 -3.774 -8.426 0.630 1.00 1.65 C ATOM 703 CZ PHE A 77 -2.645 -7.675 1.002 1.00 1.18 C ATOM 0 H PHE A 77 -3.235 -12.605 1.685 1.00 0.89 H new ATOM 0 HA PHE A 77 -4.077 -12.362 -1.078 1.00 0.89 H new ATOM 0 HB2 PHE A 77 -1.362 -12.218 0.279 1.00 0.85 H new ATOM 0 HB3 PHE A 77 -1.721 -11.723 -1.363 1.00 0.85 H new ATOM 0 HD1 PHE A 77 -0.240 -10.013 0.396 1.00 1.69 H new ATOM 0 HD2 PHE A 77 -4.505 -10.329 -0.077 1.00 1.62 H new ATOM 0 HE1 PHE A 77 -0.494 -7.679 1.197 1.00 1.84 H new ATOM 0 HE2 PHE A 77 -4.756 -7.978 0.676 1.00 1.65 H new ATOM 0 HZ PHE A 77 -2.760 -6.659 1.350 1.00 1.18 H new ATOM 713 N GLU A 78 -3.652 -15.173 -0.525 1.00 1.13 N ATOM 714 CA GLU A 78 -3.366 -16.548 -0.905 1.00 1.24 C ATOM 715 C GLU A 78 -3.966 -16.993 -2.252 1.00 1.16 C ATOM 716 O GLU A 78 -5.086 -16.611 -2.597 1.00 1.35 O ATOM 717 CB GLU A 78 -3.794 -17.485 0.222 1.00 1.77 C ATOM 718 CG GLU A 78 -5.233 -17.270 0.716 1.00 2.25 C ATOM 719 CD GLU A 78 -5.708 -18.477 1.518 1.00 2.95 C ATOM 720 OE1 GLU A 78 -6.720 -19.096 1.112 1.00 4.33 O ATOM 721 OE2 GLU A 78 -5.052 -18.839 2.524 1.00 2.58 O ATOM 0 H GLU A 78 -4.461 -15.084 0.090 1.00 1.13 H new ATOM 0 HA GLU A 78 -2.288 -16.601 -1.060 1.00 1.24 H new ATOM 0 HB2 GLU A 78 -3.690 -18.515 -0.119 1.00 1.77 H new ATOM 0 HB3 GLU A 78 -3.112 -17.358 1.062 1.00 1.77 H new ATOM 0 HG2 GLU A 78 -5.282 -16.373 1.334 1.00 2.25 H new ATOM 0 HG3 GLU A 78 -5.895 -17.107 -0.134 1.00 2.25 H new ATOM 728 N GLY A 79 -3.285 -17.898 -2.966 1.00 1.20 N ATOM 729 CA GLY A 79 -3.882 -18.684 -4.060 1.00 1.38 C ATOM 730 C GLY A 79 -4.126 -17.925 -5.372 1.00 1.25 C ATOM 731 O GLY A 79 -5.006 -18.297 -6.152 1.00 1.81 O ATOM 0 H GLY A 79 -2.300 -18.109 -2.803 1.00 1.20 H new ATOM 0 HA2 GLY A 79 -3.231 -19.533 -4.269 1.00 1.38 H new ATOM 0 HA3 GLY A 79 -4.833 -19.089 -3.714 1.00 1.38 H new ATOM 735 N LEU A 80 -3.383 -16.845 -5.612 1.00 0.84 N ATOM 736 CA LEU A 80 -3.396 -16.012 -6.807 1.00 0.90 C ATOM 737 C LEU A 80 -1.956 -15.588 -7.151 1.00 0.78 C ATOM 738 O LEU A 80 -1.097 -15.483 -6.267 1.00 0.88 O ATOM 739 CB LEU A 80 -4.335 -14.809 -6.596 1.00 1.19 C ATOM 740 CG LEU A 80 -4.602 -14.274 -5.196 1.00 0.89 C ATOM 741 CD1 LEU A 80 -3.355 -13.788 -4.457 1.00 1.41 C ATOM 742 CD2 LEU A 80 -5.617 -13.136 -5.220 1.00 1.31 C ATOM 0 H LEU A 80 -2.709 -16.508 -4.925 1.00 0.84 H new ATOM 0 HA LEU A 80 -3.784 -16.573 -7.657 1.00 0.90 H new ATOM 0 HB2 LEU A 80 -3.937 -13.983 -7.186 1.00 1.19 H new ATOM 0 HB3 LEU A 80 -5.300 -15.074 -7.029 1.00 1.19 H new ATOM 0 HG LEU A 80 -4.994 -15.133 -4.651 1.00 0.89 H new ATOM 0 HD11 LEU A 80 -3.636 -13.424 -3.469 1.00 1.41 H new ATOM 0 HD12 LEU A 80 -2.649 -14.612 -4.353 1.00 1.41 H new ATOM 0 HD13 LEU A 80 -2.889 -12.981 -5.022 1.00 1.41 H new ATOM 0 HD21 LEU A 80 -5.785 -12.777 -4.205 1.00 1.31 H new ATOM 0 HD22 LEU A 80 -5.235 -12.321 -5.835 1.00 1.31 H new ATOM 0 HD23 LEU A 80 -6.557 -13.496 -5.638 1.00 1.31 H new ATOM 754 N SER A 81 -1.674 -15.343 -8.431 1.00 0.83 N ATOM 755 CA SER A 81 -0.341 -14.925 -8.884 1.00 0.97 C ATOM 756 C SER A 81 -0.043 -13.457 -8.492 1.00 0.93 C ATOM 757 O SER A 81 -0.976 -12.645 -8.454 1.00 0.92 O ATOM 758 CB SER A 81 -0.204 -15.177 -10.389 1.00 1.32 C ATOM 759 OG SER A 81 1.147 -15.084 -10.776 1.00 2.31 O ATOM 0 H SER A 81 -2.358 -15.427 -9.183 1.00 0.83 H new ATOM 0 HA SER A 81 0.413 -15.527 -8.377 1.00 0.97 H new ATOM 0 HB2 SER A 81 -0.594 -16.164 -10.637 1.00 1.32 H new ATOM 0 HB3 SER A 81 -0.799 -14.451 -10.943 1.00 1.32 H new ATOM 0 HG SER A 81 1.223 -15.248 -11.739 1.00 2.31 H new ATOM 765 N PRO A 82 1.214 -13.072 -8.189 1.00 1.09 N ATOM 766 CA PRO A 82 1.541 -11.716 -7.741 1.00 1.12 C ATOM 767 C PRO A 82 1.097 -10.600 -8.696 1.00 1.08 C ATOM 768 O PRO A 82 0.410 -9.671 -8.265 1.00 0.98 O ATOM 769 CB PRO A 82 3.051 -11.716 -7.503 1.00 1.45 C ATOM 770 CG PRO A 82 3.338 -13.164 -7.112 1.00 1.71 C ATOM 771 CD PRO A 82 2.362 -13.948 -7.985 1.00 1.42 C ATOM 0 HA PRO A 82 0.983 -11.483 -6.834 1.00 1.12 H new ATOM 0 HB2 PRO A 82 3.600 -11.423 -8.398 1.00 1.45 H new ATOM 0 HB3 PRO A 82 3.335 -11.021 -6.713 1.00 1.45 H new ATOM 0 HG2 PRO A 82 4.373 -13.440 -7.314 1.00 1.71 H new ATOM 0 HG3 PRO A 82 3.162 -13.339 -6.051 1.00 1.71 H new ATOM 0 HD2 PRO A 82 2.820 -14.219 -8.936 1.00 1.42 H new ATOM 0 HD3 PRO A 82 2.063 -14.877 -7.499 1.00 1.42 H new ATOM 779 N LEU A 83 1.412 -10.712 -9.994 1.00 1.30 N ATOM 780 CA LEU A 83 1.007 -9.730 -11.012 1.00 1.45 C ATOM 781 C LEU A 83 -0.521 -9.679 -11.160 1.00 1.41 C ATOM 782 O LEU A 83 -1.096 -8.594 -11.203 1.00 1.43 O ATOM 783 CB LEU A 83 1.738 -10.071 -12.329 1.00 1.84 C ATOM 784 CG LEU A 83 1.581 -9.119 -13.535 1.00 2.23 C ATOM 785 CD1 LEU A 83 0.258 -9.291 -14.285 1.00 2.66 C ATOM 786 CD2 LEU A 83 1.761 -7.646 -13.161 1.00 3.03 C ATOM 0 H LEU A 83 1.957 -11.488 -10.370 1.00 1.30 H new ATOM 0 HA LEU A 83 1.297 -8.724 -10.709 1.00 1.45 H new ATOM 0 HB2 LEU A 83 2.802 -10.148 -12.106 1.00 1.84 H new ATOM 0 HB3 LEU A 83 1.406 -11.060 -12.644 1.00 1.84 H new ATOM 0 HG LEU A 83 2.389 -9.412 -14.205 1.00 2.23 H new ATOM 0 HD11 LEU A 83 0.219 -8.590 -15.119 1.00 2.66 H new ATOM 0 HD12 LEU A 83 0.185 -10.310 -14.664 1.00 2.66 H new ATOM 0 HD13 LEU A 83 -0.573 -9.096 -13.607 1.00 2.66 H new ATOM 0 HD21 LEU A 83 1.639 -7.027 -14.050 1.00 3.03 H new ATOM 0 HD22 LEU A 83 1.014 -7.365 -12.418 1.00 3.03 H new ATOM 0 HD23 LEU A 83 2.758 -7.495 -12.748 1.00 3.03 H new ATOM 798 N GLN A 84 -1.187 -10.839 -11.144 1.00 1.45 N ATOM 799 CA GLN A 84 -2.651 -10.966 -11.143 1.00 1.56 C ATOM 800 C GLN A 84 -3.282 -10.155 -9.996 1.00 1.52 C ATOM 801 O GLN A 84 -4.187 -9.348 -10.244 1.00 1.80 O ATOM 802 CB GLN A 84 -2.988 -12.474 -11.101 1.00 1.55 C ATOM 803 CG GLN A 84 -4.405 -12.903 -10.676 1.00 1.51 C ATOM 804 CD GLN A 84 -4.496 -14.412 -10.409 1.00 1.63 C ATOM 805 OE1 GLN A 84 -3.598 -15.200 -10.692 1.00 2.32 O ATOM 806 NE2 GLN A 84 -5.552 -14.883 -9.791 1.00 1.39 N ATOM 0 H GLN A 84 -0.711 -11.741 -11.131 1.00 1.45 H new ATOM 0 HA GLN A 84 -3.084 -10.540 -12.048 1.00 1.56 H new ATOM 0 HB2 GLN A 84 -2.803 -12.882 -12.095 1.00 1.55 H new ATOM 0 HB3 GLN A 84 -2.281 -12.952 -10.423 1.00 1.55 H new ATOM 0 HG2 GLN A 84 -4.694 -12.358 -9.777 1.00 1.51 H new ATOM 0 HG3 GLN A 84 -5.115 -12.630 -11.456 1.00 1.51 H new ATOM 0 HE21 GLN A 84 -6.318 -14.257 -9.540 1.00 1.39 H new ATOM 0 HE22 GLN A 84 -5.608 -15.875 -9.561 1.00 1.39 H new ATOM 815 N ARG A 85 -2.790 -10.301 -8.753 1.00 1.26 N ATOM 816 CA ARG A 85 -3.356 -9.559 -7.611 1.00 1.33 C ATOM 817 C ARG A 85 -3.048 -8.069 -7.653 1.00 1.26 C ATOM 818 O ARG A 85 -3.930 -7.264 -7.376 1.00 1.49 O ATOM 819 CB ARG A 85 -3.003 -10.193 -6.257 1.00 1.33 C ATOM 820 CG ARG A 85 -1.717 -9.720 -5.536 1.00 1.29 C ATOM 821 CD ARG A 85 -1.805 -9.919 -4.011 1.00 2.10 C ATOM 822 NE ARG A 85 -2.845 -9.062 -3.385 1.00 3.84 N ATOM 823 CZ ARG A 85 -4.082 -9.395 -3.054 1.00 5.54 C ATOM 824 NH1 ARG A 85 -4.529 -10.607 -3.177 1.00 5.99 N ATOM 825 NH2 ARG A 85 -4.904 -8.502 -2.597 1.00 7.24 N ATOM 0 H ARG A 85 -2.013 -10.917 -8.515 1.00 1.26 H new ATOM 0 HA ARG A 85 -4.438 -9.643 -7.716 1.00 1.33 H new ATOM 0 HB2 ARG A 85 -3.843 -10.025 -5.583 1.00 1.33 H new ATOM 0 HB3 ARG A 85 -2.924 -11.270 -6.405 1.00 1.33 H new ATOM 0 HG2 ARG A 85 -0.860 -10.270 -5.925 1.00 1.29 H new ATOM 0 HG3 ARG A 85 -1.545 -8.666 -5.755 1.00 1.29 H new ATOM 0 HD2 ARG A 85 -2.023 -10.965 -3.796 1.00 2.10 H new ATOM 0 HD3 ARG A 85 -0.837 -9.697 -3.562 1.00 2.10 H new ATOM 0 HE ARG A 85 -2.572 -8.100 -3.186 1.00 3.84 H new ATOM 0 HH11 ARG A 85 -3.920 -11.341 -3.539 1.00 5.99 H new ATOM 0 HH12 ARG A 85 -5.489 -10.826 -2.911 1.00 5.99 H new ATOM 0 HH21 ARG A 85 -4.599 -7.535 -2.490 1.00 7.24 H new ATOM 0 HH22 ARG A 85 -5.856 -8.767 -2.344 1.00 7.24 H new ATOM 839 N HIS A 86 -1.821 -7.704 -8.018 1.00 1.01 N ATOM 840 CA HIS A 86 -1.410 -6.315 -8.191 1.00 0.97 C ATOM 841 C HIS A 86 -2.308 -5.634 -9.240 1.00 1.29 C ATOM 842 O HIS A 86 -2.945 -4.635 -8.922 1.00 1.38 O ATOM 843 CB HIS A 86 0.082 -6.291 -8.553 1.00 0.96 C ATOM 844 CG HIS A 86 1.022 -6.117 -7.381 1.00 0.82 C ATOM 845 ND1 HIS A 86 1.939 -5.103 -7.231 1.00 0.91 N ATOM 846 CD2 HIS A 86 1.227 -6.991 -6.346 1.00 0.96 C ATOM 847 CE1 HIS A 86 2.683 -5.362 -6.146 1.00 0.98 C ATOM 848 NE2 HIS A 86 2.287 -6.507 -5.561 1.00 0.97 N ATOM 0 H HIS A 86 -1.075 -8.375 -8.204 1.00 1.01 H new ATOM 0 HA HIS A 86 -1.533 -5.745 -7.270 1.00 0.97 H new ATOM 0 HB2 HIS A 86 0.331 -7.221 -9.064 1.00 0.96 H new ATOM 0 HB3 HIS A 86 0.255 -5.481 -9.262 1.00 0.96 H new ATOM 0 HD1 HIS A 86 2.037 -4.292 -7.841 1.00 0.91 H new ATOM 0 HD2 HIS A 86 0.669 -7.898 -6.164 1.00 0.96 H new ATOM 0 HE1 HIS A 86 3.489 -4.737 -5.791 1.00 0.98 H new ATOM 856 N ARG A 87 -2.496 -6.237 -10.426 1.00 1.54 N ATOM 857 CA ARG A 87 -3.437 -5.759 -11.460 1.00 1.92 C ATOM 858 C ARG A 87 -4.852 -5.593 -10.906 1.00 2.06 C ATOM 859 O ARG A 87 -5.455 -4.545 -11.133 1.00 2.25 O ATOM 860 CB ARG A 87 -3.387 -6.703 -12.679 1.00 2.13 C ATOM 861 CG ARG A 87 -4.065 -6.166 -13.954 1.00 2.54 C ATOM 862 CD ARG A 87 -5.591 -6.335 -14.032 1.00 2.06 C ATOM 863 NE ARG A 87 -6.112 -5.899 -15.344 1.00 2.75 N ATOM 864 CZ ARG A 87 -7.329 -6.115 -15.821 1.00 3.52 C ATOM 865 NH1 ARG A 87 -8.255 -6.721 -15.138 1.00 4.30 N ATOM 866 NH2 ARG A 87 -7.649 -5.723 -17.017 1.00 4.39 N ATOM 0 H ARG A 87 -1.993 -7.081 -10.700 1.00 1.54 H new ATOM 0 HA ARG A 87 -3.129 -4.766 -11.787 1.00 1.92 H new ATOM 0 HB2 ARG A 87 -2.344 -6.922 -12.906 1.00 2.13 H new ATOM 0 HB3 ARG A 87 -3.858 -7.647 -12.406 1.00 2.13 H new ATOM 0 HG2 ARG A 87 -3.832 -5.105 -14.045 1.00 2.54 H new ATOM 0 HG3 ARG A 87 -3.620 -6.665 -14.815 1.00 2.54 H new ATOM 0 HD2 ARG A 87 -5.853 -7.380 -13.863 1.00 2.06 H new ATOM 0 HD3 ARG A 87 -6.064 -5.756 -13.239 1.00 2.06 H new ATOM 0 HE ARG A 87 -5.470 -5.379 -15.943 1.00 2.75 H new ATOM 0 HH11 ARG A 87 -8.058 -7.052 -14.194 1.00 4.30 H new ATOM 0 HH12 ARG A 87 -9.178 -6.865 -15.547 1.00 4.30 H new ATOM 0 HH21 ARG A 87 -6.961 -5.244 -17.598 1.00 4.39 H new ATOM 0 HH22 ARG A 87 -8.589 -5.894 -17.375 1.00 4.39 H new ATOM 880 N LEU A 88 -5.352 -6.562 -10.132 1.00 2.03 N ATOM 881 CA LEU A 88 -6.667 -6.462 -9.482 1.00 2.29 C ATOM 882 C LEU A 88 -6.762 -5.217 -8.575 1.00 2.23 C ATOM 883 O LEU A 88 -7.636 -4.377 -8.770 1.00 2.53 O ATOM 884 CB LEU A 88 -6.969 -7.781 -8.735 1.00 2.33 C ATOM 885 CG LEU A 88 -8.459 -8.174 -8.692 1.00 2.84 C ATOM 886 CD1 LEU A 88 -8.598 -9.569 -8.081 1.00 3.06 C ATOM 887 CD2 LEU A 88 -9.318 -7.210 -7.873 1.00 3.19 C ATOM 0 H LEU A 88 -4.861 -7.435 -9.938 1.00 2.03 H new ATOM 0 HA LEU A 88 -7.437 -6.324 -10.241 1.00 2.29 H new ATOM 0 HB2 LEU A 88 -6.409 -8.587 -9.209 1.00 2.33 H new ATOM 0 HB3 LEU A 88 -6.601 -7.695 -7.713 1.00 2.33 H new ATOM 0 HG LEU A 88 -8.815 -8.144 -9.722 1.00 2.84 H new ATOM 0 HD11 LEU A 88 -9.651 -9.849 -8.049 1.00 3.06 H new ATOM 0 HD12 LEU A 88 -8.049 -10.289 -8.688 1.00 3.06 H new ATOM 0 HD13 LEU A 88 -8.193 -9.565 -7.069 1.00 3.06 H new ATOM 0 HD21 LEU A 88 -10.355 -7.546 -7.885 1.00 3.19 H new ATOM 0 HD22 LEU A 88 -8.957 -7.184 -6.845 1.00 3.19 H new ATOM 0 HD23 LEU A 88 -9.256 -6.211 -8.304 1.00 3.19 H new ATOM 899 N VAL A 89 -5.818 -5.026 -7.647 1.00 1.88 N ATOM 900 CA VAL A 89 -5.781 -3.864 -6.730 1.00 1.80 C ATOM 901 C VAL A 89 -5.601 -2.532 -7.477 1.00 1.77 C ATOM 902 O VAL A 89 -6.184 -1.513 -7.103 1.00 1.88 O ATOM 903 CB VAL A 89 -4.652 -4.051 -5.693 1.00 1.56 C ATOM 904 CG1 VAL A 89 -4.490 -2.843 -4.761 1.00 1.57 C ATOM 905 CG2 VAL A 89 -4.911 -5.261 -4.790 1.00 1.82 C ATOM 0 H VAL A 89 -5.046 -5.677 -7.504 1.00 1.88 H new ATOM 0 HA VAL A 89 -6.745 -3.818 -6.222 1.00 1.80 H new ATOM 0 HB VAL A 89 -3.750 -4.186 -6.290 1.00 1.56 H new ATOM 0 HG11 VAL A 89 -3.682 -3.034 -4.055 1.00 1.57 H new ATOM 0 HG12 VAL A 89 -4.255 -1.957 -5.351 1.00 1.57 H new ATOM 0 HG13 VAL A 89 -5.418 -2.678 -4.214 1.00 1.57 H new ATOM 0 HG21 VAL A 89 -4.096 -5.361 -4.073 1.00 1.82 H new ATOM 0 HG22 VAL A 89 -5.850 -5.121 -4.255 1.00 1.82 H new ATOM 0 HG23 VAL A 89 -4.972 -6.163 -5.399 1.00 1.82 H new ATOM 915 N HIS A 90 -4.813 -2.525 -8.547 1.00 1.71 N ATOM 916 CA HIS A 90 -4.455 -1.340 -9.331 1.00 1.84 C ATOM 917 C HIS A 90 -5.615 -0.872 -10.216 1.00 2.26 C ATOM 918 O HIS A 90 -5.759 0.326 -10.444 1.00 2.45 O ATOM 919 CB HIS A 90 -3.239 -1.632 -10.231 1.00 1.85 C ATOM 920 CG HIS A 90 -1.893 -1.879 -9.582 1.00 1.60 C ATOM 921 ND1 HIS A 90 -0.717 -2.014 -10.284 1.00 1.74 N ATOM 922 CD2 HIS A 90 -1.590 -2.102 -8.262 1.00 1.36 C ATOM 923 CE1 HIS A 90 0.264 -2.313 -9.423 1.00 1.56 C ATOM 924 NE2 HIS A 90 -0.214 -2.367 -8.171 1.00 1.35 N ATOM 0 H HIS A 90 -4.387 -3.378 -8.910 1.00 1.71 H new ATOM 0 HA HIS A 90 -4.214 -0.552 -8.618 1.00 1.84 H new ATOM 0 HB2 HIS A 90 -3.479 -2.506 -10.836 1.00 1.85 H new ATOM 0 HB3 HIS A 90 -3.126 -0.792 -10.916 1.00 1.85 H new ATOM 0 HD1 HIS A 90 -0.610 -1.905 -11.292 1.00 1.74 H new ATOM 0 HD2 HIS A 90 -2.288 -2.078 -7.438 1.00 1.36 H new ATOM 0 HE1 HIS A 90 1.294 -2.486 -9.698 1.00 1.56 H new ATOM 932 N ALA A 91 -6.433 -1.793 -10.732 1.00 2.44 N ATOM 933 CA ALA A 91 -7.621 -1.470 -11.516 1.00 2.89 C ATOM 934 C ALA A 91 -8.884 -1.274 -10.673 1.00 3.05 C ATOM 935 O ALA A 91 -9.586 -0.264 -10.826 1.00 3.29 O ATOM 936 CB ALA A 91 -7.775 -2.554 -12.592 1.00 3.16 C ATOM 0 H ALA A 91 -6.284 -2.795 -10.614 1.00 2.44 H new ATOM 0 HA ALA A 91 -7.485 -0.496 -11.987 1.00 2.89 H new ATOM 0 HB1 ALA A 91 -8.656 -2.343 -13.198 1.00 3.16 H new ATOM 0 HB2 ALA A 91 -6.890 -2.563 -13.229 1.00 3.16 H new ATOM 0 HB3 ALA A 91 -7.888 -3.527 -12.114 1.00 3.16 H new ATOM 942 N ALA A 92 -9.157 -2.202 -9.751 1.00 2.99 N ATOM 943 CA ALA A 92 -10.321 -2.115 -8.884 1.00 3.22 C ATOM 944 C ALA A 92 -10.158 -1.009 -7.856 1.00 3.21 C ATOM 945 O ALA A 92 -11.084 -0.212 -7.681 1.00 3.69 O ATOM 946 CB ALA A 92 -10.580 -3.455 -8.176 1.00 3.14 C ATOM 0 H ALA A 92 -8.578 -3.026 -9.590 1.00 2.99 H new ATOM 0 HA ALA A 92 -11.180 -1.879 -9.512 1.00 3.22 H new ATOM 0 HB1 ALA A 92 -11.456 -3.364 -7.533 1.00 3.14 H new ATOM 0 HB2 ALA A 92 -10.755 -4.232 -8.920 1.00 3.14 H new ATOM 0 HB3 ALA A 92 -9.713 -3.721 -7.572 1.00 3.14 H new ATOM 952 N LEU A 93 -9.008 -0.952 -7.169 1.00 2.70 N ATOM 953 CA LEU A 93 -8.921 -0.235 -5.892 1.00 2.48 C ATOM 954 C LEU A 93 -8.011 0.984 -5.933 1.00 2.05 C ATOM 955 O LEU A 93 -7.485 1.451 -4.919 1.00 1.83 O ATOM 956 CB LEU A 93 -8.572 -1.204 -4.779 1.00 2.50 C ATOM 957 CG LEU A 93 -9.657 -2.258 -4.477 1.00 3.40 C ATOM 958 CD1 LEU A 93 -9.521 -2.470 -2.995 1.00 2.49 C ATOM 959 CD2 LEU A 93 -11.138 -1.909 -4.682 1.00 4.49 C ATOM 0 H LEU A 93 -8.137 -1.388 -7.472 1.00 2.70 H new ATOM 0 HA LEU A 93 -9.906 0.183 -5.683 1.00 2.48 H new ATOM 0 HB2 LEU A 93 -7.648 -1.719 -5.041 1.00 2.50 H new ATOM 0 HB3 LEU A 93 -8.374 -0.636 -3.870 1.00 2.50 H new ATOM 0 HG LEU A 93 -9.476 -3.076 -5.175 1.00 3.40 H new ATOM 0 HD11 LEU A 93 -10.252 -3.208 -2.665 1.00 2.49 H new ATOM 0 HD12 LEU A 93 -8.516 -2.827 -2.769 1.00 2.49 H new ATOM 0 HD13 LEU A 93 -9.696 -1.528 -2.475 1.00 2.49 H new ATOM 0 HD21 LEU A 93 -11.754 -2.769 -4.420 1.00 4.49 H new ATOM 0 HD22 LEU A 93 -11.404 -1.065 -4.046 1.00 4.49 H new ATOM 0 HD23 LEU A 93 -11.308 -1.645 -5.726 1.00 4.49 H new ATOM 971 N ALA A 94 -7.828 1.505 -7.132 1.00 2.12 N ATOM 972 CA ALA A 94 -7.062 2.739 -7.320 1.00 1.86 C ATOM 973 C ALA A 94 -7.583 3.927 -6.501 1.00 1.60 C ATOM 974 O ALA A 94 -6.780 4.636 -5.890 1.00 1.21 O ATOM 975 CB ALA A 94 -7.005 3.092 -8.806 1.00 2.32 C ATOM 0 H ALA A 94 -8.195 1.100 -7.993 1.00 2.12 H new ATOM 0 HA ALA A 94 -6.059 2.541 -6.943 1.00 1.86 H new ATOM 0 HB1 ALA A 94 -6.434 4.011 -8.940 1.00 2.32 H new ATOM 0 HB2 ALA A 94 -6.523 2.282 -9.354 1.00 2.32 H new ATOM 0 HB3 ALA A 94 -8.017 3.235 -9.185 1.00 2.32 H new ATOM 981 N GLU A 95 -8.901 4.101 -6.417 1.00 1.90 N ATOM 982 CA GLU A 95 -9.535 5.206 -5.702 1.00 1.88 C ATOM 983 C GLU A 95 -9.624 4.947 -4.196 1.00 1.88 C ATOM 984 O GLU A 95 -9.865 5.891 -3.444 1.00 1.98 O ATOM 985 CB GLU A 95 -10.932 5.504 -6.278 1.00 2.43 C ATOM 986 CG GLU A 95 -10.920 5.839 -7.776 1.00 3.31 C ATOM 987 CD GLU A 95 -12.329 6.136 -8.297 1.00 3.80 C ATOM 988 OE1 GLU A 95 -12.847 7.252 -8.032 1.00 4.02 O ATOM 989 OE2 GLU A 95 -12.913 5.270 -8.997 1.00 4.79 O ATOM 0 H GLU A 95 -9.570 3.466 -6.852 1.00 1.90 H new ATOM 0 HA GLU A 95 -8.900 6.081 -5.846 1.00 1.88 H new ATOM 0 HB2 GLU A 95 -11.576 4.640 -6.112 1.00 2.43 H new ATOM 0 HB3 GLU A 95 -11.371 6.338 -5.731 1.00 2.43 H new ATOM 0 HG2 GLU A 95 -10.277 6.701 -7.952 1.00 3.31 H new ATOM 0 HG3 GLU A 95 -10.494 5.005 -8.333 1.00 3.31 H new ATOM 996 N GLU A 96 -9.484 3.695 -3.740 1.00 1.98 N ATOM 997 CA GLU A 96 -9.525 3.276 -2.363 1.00 2.17 C ATOM 998 C GLU A 96 -8.151 3.353 -1.694 1.00 1.86 C ATOM 999 O GLU A 96 -8.006 3.905 -0.604 1.00 2.08 O ATOM 1000 CB GLU A 96 -9.990 1.829 -2.410 1.00 2.50 C ATOM 1001 CG GLU A 96 -11.422 1.669 -2.930 1.00 2.72 C ATOM 1002 CD GLU A 96 -12.335 0.742 -2.106 1.00 2.80 C ATOM 1003 OE1 GLU A 96 -11.882 0.008 -1.191 1.00 2.58 O ATOM 1004 OE2 GLU A 96 -13.570 0.783 -2.328 1.00 3.74 O ATOM 0 H GLU A 96 -9.330 2.912 -4.375 1.00 1.98 H new ATOM 0 HA GLU A 96 -10.182 3.922 -1.781 1.00 2.17 H new ATOM 0 HB2 GLU A 96 -9.314 1.258 -3.046 1.00 2.50 H new ATOM 0 HB3 GLU A 96 -9.924 1.401 -1.410 1.00 2.50 H new ATOM 0 HG2 GLU A 96 -11.884 2.655 -2.976 1.00 2.72 H new ATOM 0 HG3 GLU A 96 -11.377 1.290 -3.951 1.00 2.72 H new ATOM 1011 N LEU A 97 -7.129 2.803 -2.361 1.00 1.48 N ATOM 1012 CA LEU A 97 -5.746 2.814 -1.896 1.00 1.30 C ATOM 1013 C LEU A 97 -5.112 4.179 -2.196 1.00 1.18 C ATOM 1014 O LEU A 97 -4.474 4.771 -1.329 1.00 1.49 O ATOM 1015 CB LEU A 97 -5.041 1.615 -2.558 1.00 1.28 C ATOM 1016 CG LEU A 97 -4.154 0.793 -1.608 1.00 1.51 C ATOM 1017 CD1 LEU A 97 -3.835 -0.565 -2.227 1.00 2.24 C ATOM 1018 CD2 LEU A 97 -2.835 1.487 -1.296 1.00 2.20 C ATOM 0 H LEU A 97 -7.248 2.330 -3.257 1.00 1.48 H new ATOM 0 HA LEU A 97 -5.658 2.696 -0.816 1.00 1.30 H new ATOM 0 HB2 LEU A 97 -5.797 0.958 -2.989 1.00 1.28 H new ATOM 0 HB3 LEU A 97 -4.428 1.980 -3.382 1.00 1.28 H new ATOM 0 HG LEU A 97 -4.718 0.679 -0.682 1.00 1.51 H new ATOM 0 HD11 LEU A 97 -3.206 -1.137 -1.545 1.00 2.24 H new ATOM 0 HD12 LEU A 97 -4.762 -1.109 -2.409 1.00 2.24 H new ATOM 0 HD13 LEU A 97 -3.308 -0.420 -3.170 1.00 2.24 H new ATOM 0 HD21 LEU A 97 -2.247 0.865 -0.622 1.00 2.20 H new ATOM 0 HD22 LEU A 97 -2.280 1.646 -2.220 1.00 2.20 H new ATOM 0 HD23 LEU A 97 -3.033 2.449 -0.822 1.00 2.20 H new ATOM 1030 N GLY A 98 -5.444 4.771 -3.350 1.00 1.05 N ATOM 1031 CA GLY A 98 -5.295 6.201 -3.622 1.00 1.44 C ATOM 1032 C GLY A 98 -6.427 7.042 -3.033 1.00 1.85 C ATOM 1033 O GLY A 98 -6.836 8.051 -3.605 1.00 2.41 O ATOM 0 H GLY A 98 -5.833 4.254 -4.138 1.00 1.05 H new ATOM 0 HA2 GLY A 98 -4.344 6.545 -3.215 1.00 1.44 H new ATOM 0 HA3 GLY A 98 -5.256 6.358 -4.700 1.00 1.44 H new ATOM 1037 N GLY A 99 -6.961 6.576 -1.910 1.00 2.05 N ATOM 1038 CA GLY A 99 -8.064 7.183 -1.163 1.00 2.93 C ATOM 1039 C GLY A 99 -7.627 8.476 -0.480 1.00 3.46 C ATOM 1040 O GLY A 99 -8.177 9.531 -0.805 1.00 4.00 O ATOM 0 H GLY A 99 -6.621 5.721 -1.471 1.00 2.05 H new ATOM 0 HA2 GLY A 99 -8.894 7.389 -1.839 1.00 2.93 H new ATOM 0 HA3 GLY A 99 -8.430 6.480 -0.415 1.00 2.93 H new ATOM 1044 N PRO A 100 -6.592 8.423 0.379 1.00 3.38 N ATOM 1045 CA PRO A 100 -5.978 9.596 0.992 1.00 3.75 C ATOM 1046 C PRO A 100 -4.719 10.092 0.247 1.00 3.45 C ATOM 1047 O PRO A 100 -4.032 10.987 0.737 1.00 3.75 O ATOM 1048 CB PRO A 100 -5.704 9.126 2.422 1.00 4.03 C ATOM 1049 CG PRO A 100 -5.311 7.660 2.267 1.00 3.62 C ATOM 1050 CD PRO A 100 -6.103 7.209 1.037 1.00 3.20 C ATOM 0 HA PRO A 100 -6.618 10.478 0.956 1.00 3.75 H new ATOM 0 HB2 PRO A 100 -4.905 9.705 2.885 1.00 4.03 H new ATOM 0 HB3 PRO A 100 -6.586 9.237 3.053 1.00 4.03 H new ATOM 0 HG2 PRO A 100 -4.237 7.545 2.118 1.00 3.62 H new ATOM 0 HG3 PRO A 100 -5.574 7.078 3.150 1.00 3.62 H new ATOM 0 HD2 PRO A 100 -5.472 6.631 0.362 1.00 3.20 H new ATOM 0 HD3 PRO A 100 -6.933 6.565 1.327 1.00 3.20 H new ATOM 1058 N VAL A 101 -4.388 9.529 -0.927 1.00 2.92 N ATOM 1059 CA VAL A 101 -3.115 9.749 -1.649 1.00 2.66 C ATOM 1060 C VAL A 101 -3.343 10.013 -3.146 1.00 2.74 C ATOM 1061 O VAL A 101 -4.117 9.290 -3.778 1.00 2.80 O ATOM 1062 CB VAL A 101 -2.175 8.532 -1.458 1.00 2.26 C ATOM 1063 CG1 VAL A 101 -0.844 8.761 -2.153 1.00 1.50 C ATOM 1064 CG2 VAL A 101 -1.903 8.215 0.014 1.00 3.11 C ATOM 0 H VAL A 101 -5.013 8.890 -1.417 1.00 2.92 H new ATOM 0 HA VAL A 101 -2.646 10.638 -1.226 1.00 2.66 H new ATOM 0 HB VAL A 101 -2.696 7.683 -1.902 1.00 2.26 H new ATOM 0 HG11 VAL A 101 -0.202 7.893 -2.004 1.00 1.50 H new ATOM 0 HG12 VAL A 101 -1.011 8.910 -3.220 1.00 1.50 H new ATOM 0 HG13 VAL A 101 -0.362 9.645 -1.734 1.00 1.50 H new ATOM 0 HG21 VAL A 101 -1.239 7.354 0.084 1.00 3.11 H new ATOM 0 HG22 VAL A 101 -1.433 9.075 0.491 1.00 3.11 H new ATOM 0 HG23 VAL A 101 -2.843 7.990 0.518 1.00 3.11 H new ATOM 1074 N HIS A 102 -2.642 10.985 -3.749 1.00 2.79 N ATOM 1075 CA HIS A 102 -2.732 11.261 -5.198 1.00 2.91 C ATOM 1076 C HIS A 102 -2.078 10.169 -6.055 1.00 2.87 C ATOM 1077 O HIS A 102 -2.670 9.719 -7.036 1.00 3.24 O ATOM 1078 CB HIS A 102 -2.106 12.612 -5.565 1.00 2.82 C ATOM 1079 CG HIS A 102 -2.894 13.789 -5.071 1.00 3.88 C ATOM 1080 ND1 HIS A 102 -3.968 14.397 -5.677 1.00 4.78 N ATOM 1081 CD2 HIS A 102 -2.640 14.465 -3.918 1.00 4.39 C ATOM 1082 CE1 HIS A 102 -4.353 15.423 -4.898 1.00 5.86 C ATOM 1083 NE2 HIS A 102 -3.560 15.517 -3.812 1.00 5.70 N ATOM 0 H HIS A 102 -1.999 11.601 -3.252 1.00 2.79 H new ATOM 0 HA HIS A 102 -3.800 11.282 -5.416 1.00 2.91 H new ATOM 0 HB2 HIS A 102 -1.098 12.661 -5.153 1.00 2.82 H new ATOM 0 HB3 HIS A 102 -2.011 12.677 -6.649 1.00 2.82 H new ATOM 0 HD2 HIS A 102 -1.862 14.231 -3.206 1.00 4.39 H new ATOM 0 HE1 HIS A 102 -5.182 16.081 -5.113 1.00 5.86 H new ATOM 0 HE2 HIS A 102 -3.618 16.211 -3.067 1.00 5.70 H new ATOM 1091 N ALA A 103 -0.877 9.727 -5.688 1.00 2.45 N ATOM 1092 CA ALA A 103 -0.064 8.781 -6.449 1.00 2.22 C ATOM 1093 C ALA A 103 0.712 7.840 -5.522 1.00 1.73 C ATOM 1094 O ALA A 103 1.263 8.266 -4.508 1.00 1.48 O ATOM 1095 CB ALA A 103 0.892 9.592 -7.296 1.00 2.43 C ATOM 0 H ALA A 103 -0.428 10.028 -4.823 1.00 2.45 H new ATOM 0 HA ALA A 103 -0.704 8.155 -7.071 1.00 2.22 H new ATOM 0 HB1 ALA A 103 1.519 8.920 -7.882 1.00 2.43 H new ATOM 0 HB2 ALA A 103 0.326 10.237 -7.968 1.00 2.43 H new ATOM 0 HB3 ALA A 103 1.521 10.204 -6.650 1.00 2.43 H new ATOM 1101 N LEU A 104 0.754 6.551 -5.845 1.00 1.68 N ATOM 1102 CA LEU A 104 1.376 5.543 -5.001 1.00 1.41 C ATOM 1103 C LEU A 104 1.718 4.207 -5.670 1.00 1.44 C ATOM 1104 O LEU A 104 1.118 3.827 -6.679 1.00 1.67 O ATOM 1105 CB LEU A 104 0.530 5.315 -3.746 1.00 1.52 C ATOM 1106 CG LEU A 104 -0.808 4.568 -3.850 1.00 1.76 C ATOM 1107 CD1 LEU A 104 -1.339 4.439 -2.425 1.00 1.90 C ATOM 1108 CD2 LEU A 104 -1.868 5.292 -4.678 1.00 2.14 C ATOM 0 H LEU A 104 0.354 6.177 -6.706 1.00 1.68 H new ATOM 0 HA LEU A 104 2.349 5.964 -4.748 1.00 1.41 H new ATOM 0 HB2 LEU A 104 1.149 4.774 -3.031 1.00 1.52 H new ATOM 0 HB3 LEU A 104 0.323 6.293 -3.312 1.00 1.52 H new ATOM 0 HG LEU A 104 -0.623 3.617 -4.349 1.00 1.76 H new ATOM 0 HD11 LEU A 104 -2.294 3.913 -2.439 1.00 1.90 H new ATOM 0 HD12 LEU A 104 -0.625 3.880 -1.820 1.00 1.90 H new ATOM 0 HD13 LEU A 104 -1.478 5.432 -1.997 1.00 1.90 H new ATOM 0 HD21 LEU A 104 -2.781 4.697 -4.701 1.00 2.14 H new ATOM 0 HD22 LEU A 104 -2.079 6.263 -4.230 1.00 2.14 H new ATOM 0 HD23 LEU A 104 -1.502 5.433 -5.695 1.00 2.14 H new ATOM 1120 N ALA A 105 2.653 3.483 -5.048 1.00 1.25 N ATOM 1121 CA ALA A 105 3.057 2.116 -5.395 1.00 1.18 C ATOM 1122 C ALA A 105 2.958 1.139 -4.197 1.00 1.08 C ATOM 1123 O ALA A 105 3.253 1.505 -3.055 1.00 1.13 O ATOM 1124 CB ALA A 105 4.431 2.172 -6.074 1.00 1.23 C ATOM 0 H ALA A 105 3.174 3.851 -4.252 1.00 1.25 H new ATOM 0 HA ALA A 105 2.354 1.690 -6.111 1.00 1.18 H new ATOM 0 HB1 ALA A 105 4.747 1.163 -6.339 1.00 1.23 H new ATOM 0 HB2 ALA A 105 4.367 2.781 -6.976 1.00 1.23 H new ATOM 0 HB3 ALA A 105 5.157 2.612 -5.390 1.00 1.23 H new ATOM 1130 N ILE A 106 2.524 -0.103 -4.451 1.00 0.98 N ATOM 1131 CA ILE A 106 2.403 -1.182 -3.456 1.00 0.85 C ATOM 1132 C ILE A 106 3.415 -2.317 -3.677 1.00 0.74 C ATOM 1133 O ILE A 106 3.844 -2.573 -4.804 1.00 0.73 O ATOM 1134 CB ILE A 106 0.972 -1.762 -3.437 1.00 0.83 C ATOM 1135 CG1 ILE A 106 0.508 -2.209 -4.842 1.00 0.73 C ATOM 1136 CG2 ILE A 106 -0.014 -0.753 -2.828 1.00 1.19 C ATOM 1137 CD1 ILE A 106 -0.518 -3.337 -4.816 1.00 0.90 C ATOM 0 H ILE A 106 2.238 -0.396 -5.385 1.00 0.98 H new ATOM 0 HA ILE A 106 2.625 -0.726 -2.491 1.00 0.85 H new ATOM 0 HB ILE A 106 0.990 -2.652 -2.808 1.00 0.83 H new ATOM 0 HG12 ILE A 106 0.081 -1.353 -5.364 1.00 0.73 H new ATOM 0 HG13 ILE A 106 1.376 -2.532 -5.417 1.00 0.73 H new ATOM 0 HG21 ILE A 106 -1.016 -1.181 -2.824 1.00 1.19 H new ATOM 0 HG22 ILE A 106 0.286 -0.522 -1.806 1.00 1.19 H new ATOM 0 HG23 ILE A 106 -0.012 0.161 -3.422 1.00 1.19 H new ATOM 0 HD11 ILE A 106 -0.797 -3.598 -5.837 1.00 0.90 H new ATOM 0 HD12 ILE A 106 -0.088 -4.209 -4.323 1.00 0.90 H new ATOM 0 HD13 ILE A 106 -1.403 -3.011 -4.270 1.00 0.90 H new ATOM 1149 N GLN A 107 3.734 -3.039 -2.601 1.00 0.73 N ATOM 1150 CA GLN A 107 4.480 -4.305 -2.589 1.00 0.70 C ATOM 1151 C GLN A 107 3.749 -5.317 -1.683 1.00 0.69 C ATOM 1152 O GLN A 107 3.832 -5.220 -0.457 1.00 0.84 O ATOM 1153 CB GLN A 107 5.914 -4.041 -2.083 1.00 1.04 C ATOM 1154 CG GLN A 107 6.771 -3.228 -3.074 1.00 1.34 C ATOM 1155 CD GLN A 107 7.934 -2.504 -2.403 1.00 2.49 C ATOM 1156 OE1 GLN A 107 7.806 -1.379 -1.925 1.00 3.73 O ATOM 1157 NE2 GLN A 107 9.115 -3.075 -2.358 1.00 3.11 N ATOM 0 H GLN A 107 3.466 -2.743 -1.663 1.00 0.73 H new ATOM 0 HA GLN A 107 4.538 -4.722 -3.594 1.00 0.70 H new ATOM 0 HB2 GLN A 107 5.864 -3.507 -1.134 1.00 1.04 H new ATOM 0 HB3 GLN A 107 6.404 -4.995 -1.887 1.00 1.04 H new ATOM 0 HG2 GLN A 107 7.161 -3.896 -3.842 1.00 1.34 H new ATOM 0 HG3 GLN A 107 6.138 -2.498 -3.579 1.00 1.34 H new ATOM 0 HE21 GLN A 107 9.245 -4.008 -2.748 1.00 3.11 H new ATOM 0 HE22 GLN A 107 9.902 -2.585 -1.933 1.00 3.11 H new ATOM 1166 N ALA A 108 3.007 -6.269 -2.263 1.00 0.68 N ATOM 1167 CA ALA A 108 2.225 -7.265 -1.514 1.00 0.75 C ATOM 1168 C ALA A 108 3.054 -8.511 -1.130 1.00 1.10 C ATOM 1169 O ALA A 108 3.883 -8.955 -1.927 1.00 1.68 O ATOM 1170 CB ALA A 108 0.987 -7.639 -2.347 1.00 0.99 C ATOM 0 H ALA A 108 2.931 -6.372 -3.275 1.00 0.68 H new ATOM 0 HA ALA A 108 1.914 -6.825 -0.567 1.00 0.75 H new ATOM 0 HB1 ALA A 108 0.394 -8.377 -1.807 1.00 0.99 H new ATOM 0 HB2 ALA A 108 0.384 -6.748 -2.523 1.00 0.99 H new ATOM 0 HB3 ALA A 108 1.304 -8.057 -3.302 1.00 0.99 H new ATOM 1176 N ARG A 109 2.839 -9.085 0.064 1.00 0.87 N ATOM 1177 CA ARG A 109 3.297 -10.443 0.458 1.00 0.85 C ATOM 1178 C ARG A 109 2.314 -11.209 1.363 1.00 0.66 C ATOM 1179 O ARG A 109 1.500 -10.632 2.088 1.00 0.77 O ATOM 1180 CB ARG A 109 4.644 -10.397 1.203 1.00 1.23 C ATOM 1181 CG ARG A 109 5.893 -10.060 0.376 1.00 1.64 C ATOM 1182 CD ARG A 109 6.268 -8.576 0.412 1.00 2.26 C ATOM 1183 NE ARG A 109 7.481 -8.321 -0.388 1.00 2.52 N ATOM 1184 CZ ARG A 109 7.521 -7.955 -1.658 1.00 2.01 C ATOM 1185 NH1 ARG A 109 6.458 -7.837 -2.396 1.00 2.41 N ATOM 1186 NH2 ARG A 109 8.651 -7.694 -2.238 1.00 2.55 N ATOM 0 H ARG A 109 2.328 -8.611 0.809 1.00 0.87 H new ATOM 0 HA ARG A 109 3.382 -10.969 -0.493 1.00 0.85 H new ATOM 0 HB2 ARG A 109 4.562 -9.663 2.005 1.00 1.23 H new ATOM 0 HB3 ARG A 109 4.803 -11.367 1.674 1.00 1.23 H new ATOM 0 HG2 ARG A 109 6.733 -10.648 0.746 1.00 1.64 H new ATOM 0 HG3 ARG A 109 5.725 -10.359 -0.659 1.00 1.64 H new ATOM 0 HD2 ARG A 109 5.441 -7.978 0.028 1.00 2.26 H new ATOM 0 HD3 ARG A 109 6.435 -8.264 1.443 1.00 2.26 H new ATOM 0 HE ARG A 109 8.377 -8.439 0.085 1.00 2.52 H new ATOM 0 HH11 ARG A 109 5.538 -8.030 -2.000 1.00 2.41 H new ATOM 0 HH12 ARG A 109 6.543 -7.551 -3.371 1.00 2.41 H new ATOM 0 HH21 ARG A 109 9.523 -7.770 -1.714 1.00 2.55 H new ATOM 0 HH22 ARG A 109 8.668 -7.413 -3.218 1.00 2.55 H new ATOM 1200 N THR A 110 2.520 -12.522 1.441 1.00 0.66 N ATOM 1201 CA THR A 110 1.988 -13.389 2.506 1.00 0.67 C ATOM 1202 C THR A 110 2.897 -13.405 3.749 1.00 0.62 C ATOM 1203 O THR A 110 4.117 -13.181 3.653 1.00 0.60 O ATOM 1204 CB THR A 110 1.733 -14.819 2.000 1.00 0.80 C ATOM 1205 OG1 THR A 110 2.934 -15.476 1.661 1.00 0.95 O ATOM 1206 CG2 THR A 110 0.847 -14.802 0.759 1.00 0.89 C ATOM 0 H THR A 110 3.074 -13.031 0.752 1.00 0.66 H new ATOM 0 HA THR A 110 1.031 -12.961 2.804 1.00 0.67 H new ATOM 0 HB THR A 110 1.243 -15.352 2.814 1.00 0.80 H new ATOM 0 HG1 THR A 110 3.342 -15.033 0.888 1.00 0.95 H new ATOM 0 HG21 THR A 110 0.679 -15.824 0.418 1.00 0.89 H new ATOM 0 HG22 THR A 110 -0.109 -14.339 1.001 1.00 0.89 H new ATOM 0 HG23 THR A 110 1.337 -14.232 -0.030 1.00 0.89 H new ATOM 1214 N PRO A 111 2.351 -13.680 4.951 1.00 0.65 N ATOM 1215 CA PRO A 111 3.167 -13.721 6.153 1.00 0.64 C ATOM 1216 C PRO A 111 4.257 -14.786 6.060 1.00 0.70 C ATOM 1217 O PRO A 111 5.380 -14.482 6.432 1.00 0.76 O ATOM 1218 CB PRO A 111 2.206 -13.913 7.327 1.00 0.72 C ATOM 1219 CG PRO A 111 0.964 -14.526 6.693 1.00 0.87 C ATOM 1220 CD PRO A 111 0.957 -13.910 5.293 1.00 0.73 C ATOM 0 HA PRO A 111 3.722 -12.794 6.293 1.00 0.64 H new ATOM 0 HB2 PRO A 111 2.631 -14.569 8.087 1.00 0.72 H new ATOM 0 HB3 PRO A 111 1.978 -12.965 7.815 1.00 0.72 H new ATOM 0 HG2 PRO A 111 1.024 -15.614 6.656 1.00 0.87 H new ATOM 0 HG3 PRO A 111 0.061 -14.276 7.249 1.00 0.87 H new ATOM 0 HD2 PRO A 111 0.484 -14.579 4.574 1.00 0.73 H new ATOM 0 HD3 PRO A 111 0.393 -12.978 5.280 1.00 0.73 H new ATOM 1228 N ALA A 112 4.035 -15.973 5.489 1.00 0.78 N ATOM 1229 CA ALA A 112 5.083 -17.000 5.477 1.00 0.91 C ATOM 1230 C ALA A 112 6.270 -16.732 4.521 1.00 0.90 C ATOM 1231 O ALA A 112 7.377 -17.188 4.818 1.00 1.03 O ATOM 1232 CB ALA A 112 4.425 -18.351 5.195 1.00 1.08 C ATOM 0 H ALA A 112 3.161 -16.244 5.039 1.00 0.78 H new ATOM 0 HA ALA A 112 5.551 -16.987 6.461 1.00 0.91 H new ATOM 0 HB1 ALA A 112 5.186 -19.131 5.181 1.00 1.08 H new ATOM 0 HB2 ALA A 112 3.695 -18.570 5.974 1.00 1.08 H new ATOM 0 HB3 ALA A 112 3.924 -18.317 4.228 1.00 1.08 H new ATOM 1238 N GLN A 113 6.110 -15.950 3.441 1.00 0.83 N ATOM 1239 CA GLN A 113 7.274 -15.412 2.702 1.00 0.84 C ATOM 1240 C GLN A 113 7.899 -14.210 3.429 1.00 0.79 C ATOM 1241 O GLN A 113 9.120 -14.029 3.373 1.00 0.96 O ATOM 1242 CB GLN A 113 6.943 -15.086 1.239 1.00 0.91 C ATOM 1243 CG GLN A 113 5.972 -13.917 1.105 1.00 0.89 C ATOM 1244 CD GLN A 113 5.478 -13.737 -0.322 1.00 1.16 C ATOM 1245 OE1 GLN A 113 4.337 -14.296 -0.650 1.00 1.51 O flip ATOM 1246 NE2 GLN A 113 6.099 -13.082 -1.144 1.00 2.42 N flip ATOM 0 H GLN A 113 5.203 -15.677 3.061 1.00 0.83 H new ATOM 0 HA GLN A 113 8.022 -16.204 2.678 1.00 0.84 H new ATOM 0 HB2 GLN A 113 7.864 -14.852 0.705 1.00 0.91 H new ATOM 0 HB3 GLN A 113 6.513 -15.967 0.762 1.00 0.91 H new ATOM 0 HG2 GLN A 113 5.119 -14.079 1.765 1.00 0.89 H new ATOM 0 HG3 GLN A 113 6.462 -13.001 1.436 1.00 0.89 H new ATOM 0 HE21 GLN A 113 6.986 -12.649 -0.886 1.00 2.42 H new ATOM 0 HE22 GLN A 113 5.731 -12.968 -2.089 1.00 2.42 H new ATOM 1255 N TRP A 114 7.105 -13.426 4.181 1.00 0.66 N ATOM 1256 CA TRP A 114 7.700 -12.459 5.115 1.00 0.67 C ATOM 1257 C TRP A 114 8.540 -13.135 6.220 1.00 0.83 C ATOM 1258 O TRP A 114 9.618 -12.640 6.561 1.00 0.94 O ATOM 1259 CB TRP A 114 6.641 -11.508 5.679 1.00 0.63 C ATOM 1260 CG TRP A 114 7.191 -10.444 6.573 1.00 0.72 C ATOM 1261 CD1 TRP A 114 7.347 -10.551 7.913 1.00 0.90 C ATOM 1262 CD2 TRP A 114 7.684 -9.116 6.215 1.00 0.78 C ATOM 1263 NE1 TRP A 114 7.893 -9.385 8.409 1.00 0.96 N ATOM 1264 CE2 TRP A 114 8.094 -8.456 7.412 1.00 0.92 C ATOM 1265 CE3 TRP A 114 7.813 -8.396 5.006 1.00 0.85 C ATOM 1266 CZ2 TRP A 114 8.562 -7.137 7.419 1.00 1.11 C ATOM 1267 CZ3 TRP A 114 8.285 -7.069 5.000 1.00 1.07 C ATOM 1268 CH2 TRP A 114 8.647 -6.440 6.204 1.00 1.20 C ATOM 0 H TRP A 114 6.085 -13.441 4.162 1.00 0.66 H new ATOM 0 HA TRP A 114 8.404 -11.854 4.543 1.00 0.67 H new ATOM 0 HB2 TRP A 114 6.115 -11.035 4.850 1.00 0.63 H new ATOM 0 HB3 TRP A 114 5.905 -12.089 6.234 1.00 0.63 H new ATOM 0 HD1 TRP A 114 7.084 -11.416 8.504 1.00 0.90 H new ATOM 0 HE1 TRP A 114 8.120 -9.230 9.391 1.00 0.96 H new ATOM 0 HE3 TRP A 114 7.546 -8.870 4.073 1.00 0.85 H new ATOM 0 HZ2 TRP A 114 8.853 -6.663 8.345 1.00 1.11 H new ATOM 0 HZ3 TRP A 114 8.369 -6.532 4.067 1.00 1.07 H new ATOM 0 HH2 TRP A 114 8.992 -5.417 6.194 1.00 1.20 H new ATOM 1279 N ARG A 115 8.114 -14.314 6.699 1.00 0.94 N ATOM 1280 CA ARG A 115 8.877 -15.172 7.635 1.00 1.30 C ATOM 1281 C ARG A 115 10.194 -15.628 6.995 1.00 1.49 C ATOM 1282 O ARG A 115 11.247 -15.527 7.617 1.00 1.74 O ATOM 1283 CB ARG A 115 8.052 -16.399 8.105 1.00 1.53 C ATOM 1284 CG ARG A 115 6.790 -16.084 8.928 1.00 1.42 C ATOM 1285 CD ARG A 115 5.866 -17.285 9.194 1.00 2.24 C ATOM 1286 NE ARG A 115 6.353 -18.179 10.256 1.00 3.38 N ATOM 1287 CZ ARG A 115 5.991 -18.198 11.525 1.00 3.82 C ATOM 1288 NH1 ARG A 115 5.234 -17.296 12.071 1.00 3.69 N ATOM 1289 NH2 ARG A 115 6.376 -19.155 12.311 1.00 5.15 N ATOM 0 H ARG A 115 7.210 -14.711 6.444 1.00 0.94 H new ATOM 0 HA ARG A 115 9.099 -14.571 8.517 1.00 1.30 H new ATOM 0 HB2 ARG A 115 7.756 -16.972 7.226 1.00 1.53 H new ATOM 0 HB3 ARG A 115 8.700 -17.042 8.701 1.00 1.53 H new ATOM 0 HG2 ARG A 115 7.096 -15.662 9.885 1.00 1.42 H new ATOM 0 HG3 ARG A 115 6.219 -15.315 8.408 1.00 1.42 H new ATOM 0 HD2 ARG A 115 4.876 -16.918 9.465 1.00 2.24 H new ATOM 0 HD3 ARG A 115 5.753 -17.857 8.273 1.00 2.24 H new ATOM 0 HE ARG A 115 7.054 -18.866 9.978 1.00 3.38 H new ATOM 0 HH11 ARG A 115 4.884 -16.517 11.512 1.00 3.69 H new ATOM 0 HH12 ARG A 115 4.989 -17.366 13.059 1.00 3.69 H new ATOM 0 HH21 ARG A 115 6.966 -19.905 11.950 1.00 5.15 H new ATOM 0 HH22 ARG A 115 6.089 -19.158 13.290 1.00 5.15 H new ATOM 1303 N GLU A 116 10.141 -16.061 5.734 1.00 1.50 N ATOM 1304 CA GLU A 116 11.289 -16.616 5.006 1.00 1.85 C ATOM 1305 C GLU A 116 12.374 -15.581 4.658 1.00 1.74 C ATOM 1306 O GLU A 116 13.558 -15.865 4.849 1.00 2.24 O ATOM 1307 CB GLU A 116 10.766 -17.334 3.746 1.00 2.12 C ATOM 1308 CG GLU A 116 11.861 -18.061 2.955 1.00 3.02 C ATOM 1309 CD GLU A 116 11.271 -18.871 1.795 1.00 3.98 C ATOM 1310 OE1 GLU A 116 10.912 -20.056 2.011 1.00 4.26 O ATOM 1311 OE2 GLU A 116 11.204 -18.342 0.658 1.00 5.11 O ATOM 0 H GLU A 116 9.286 -16.036 5.179 1.00 1.50 H new ATOM 0 HA GLU A 116 11.792 -17.322 5.667 1.00 1.85 H new ATOM 0 HB2 GLU A 116 10.002 -18.054 4.039 1.00 2.12 H new ATOM 0 HB3 GLU A 116 10.283 -16.604 3.096 1.00 2.12 H new ATOM 0 HG2 GLU A 116 12.575 -17.334 2.567 1.00 3.02 H new ATOM 0 HG3 GLU A 116 12.412 -18.725 3.621 1.00 3.02 H new ATOM 1318 N ASN A 117 12.007 -14.421 4.102 1.00 1.36 N ATOM 1319 CA ASN A 117 12.978 -13.461 3.544 1.00 1.59 C ATOM 1320 C ASN A 117 12.626 -11.966 3.753 1.00 1.68 C ATOM 1321 O ASN A 117 13.315 -11.090 3.226 1.00 2.12 O ATOM 1322 CB ASN A 117 13.130 -13.845 2.054 1.00 2.16 C ATOM 1323 CG ASN A 117 14.135 -13.016 1.280 1.00 2.53 C ATOM 1324 OD1 ASN A 117 13.784 -12.159 0.482 1.00 3.41 O ATOM 1325 ND2 ASN A 117 15.408 -13.218 1.503 1.00 2.93 N ATOM 0 H ASN A 117 11.036 -14.118 4.024 1.00 1.36 H new ATOM 0 HA ASN A 117 13.922 -13.539 4.084 1.00 1.59 H new ATOM 0 HB2 ASN A 117 13.422 -14.893 1.992 1.00 2.16 H new ATOM 0 HB3 ASN A 117 12.158 -13.755 1.570 1.00 2.16 H new ATOM 0 HD21 ASN A 117 16.107 -12.661 1.011 1.00 2.93 H new ATOM 0 HD22 ASN A 117 15.702 -13.933 2.169 1.00 2.93 H new ATOM 1332 N SER A 118 11.486 -11.652 4.380 1.00 2.12 N ATOM 1333 CA SER A 118 10.684 -10.442 4.073 1.00 2.87 C ATOM 1334 C SER A 118 10.203 -10.367 2.599 1.00 3.09 C ATOM 1335 O SER A 118 9.512 -9.427 2.211 1.00 3.93 O ATOM 1336 CB SER A 118 11.390 -9.141 4.490 1.00 3.60 C ATOM 1337 OG SER A 118 11.856 -9.175 5.826 1.00 4.76 O ATOM 0 H SER A 118 11.084 -12.228 5.120 1.00 2.12 H new ATOM 0 HA SER A 118 9.788 -10.544 4.685 1.00 2.87 H new ATOM 0 HB2 SER A 118 12.231 -8.959 3.821 1.00 3.60 H new ATOM 0 HB3 SER A 118 10.701 -8.305 4.371 1.00 3.60 H new ATOM 0 HG SER A 118 12.298 -8.327 6.040 1.00 4.76 H new TER 1343 SER A 118