USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 410 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 44 HIS :FLIP no HD1:sc= -0.637 F(o=-3.4,f=-1.2) USER MOD Set 1.2: A 47 CYS SG : rot 120:sc= -0.547 USER MOD Set 1.3: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -164:sc=-0.00676 (180deg=-0.306) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0213) USER MOD Single : A 8 GLN : amide:sc= -0.133 K(o=-0.13,f=-2.1!) USER MOD Single : A 11 GLN : amide:sc= -0.219 K(o=-0.22,f=-0.82) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 57:sc= 0.589 USER MOD Single : A 30 SER OG : rot -83:sc= 1.22 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -117:sc= -0.828 USER MOD Single : A 46 ASN : amide:sc= -1.07! C(o=-1.1!,f=-11!) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= -3.89 (180deg=-3.99) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.360 30.630 25.324 1.00 0.00 N ATOM 2 CA ARG A 1 -3.586 30.319 26.514 1.00 0.00 C ATOM 3 C ARG A 1 -3.102 28.868 26.466 1.00 0.00 C ATOM 4 O ARG A 1 -2.000 28.562 26.919 1.00 0.00 O ATOM 5 CB ARG A 1 -4.415 30.531 27.782 1.00 0.00 C ATOM 6 CG ARG A 1 -3.573 31.175 28.886 1.00 0.00 C ATOM 7 CD ARG A 1 -3.185 32.607 28.515 1.00 0.00 C ATOM 8 NE ARG A 1 -3.557 33.531 29.610 1.00 0.00 N ATOM 9 CZ ARG A 1 -4.789 34.026 29.789 1.00 0.00 C ATOM 10 NH1 ARG A 1 -5.776 33.689 28.948 1.00 0.00 N ATOM 11 NH2 ARG A 1 -5.036 34.859 30.810 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.452 31.662 25.230 1.00 0.00 H new ATOM 0 H2 ARG A 1 -3.877 30.247 24.486 1.00 0.00 H new ATOM 0 H3 ARG A 1 -5.305 30.204 25.404 1.00 0.00 H new ATOM 0 HA ARG A 1 -2.729 30.992 26.538 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -5.273 31.164 27.558 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -4.806 29.575 28.129 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.133 31.177 29.821 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -2.674 30.583 29.054 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -2.113 32.665 28.327 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -3.687 32.901 27.593 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.830 33.808 30.269 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -5.590 33.055 28.171 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -6.714 34.066 29.085 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -4.286 35.116 31.451 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -5.974 35.235 30.946 1.00 0.00 H new ATOM 22 N ILE A 2 -3.950 28.013 25.914 1.00 0.00 N ATOM 23 CA ILE A 2 -3.622 26.601 25.803 1.00 0.00 C ATOM 24 C ILE A 2 -3.725 26.174 24.337 1.00 0.00 C ATOM 25 O ILE A 2 -2.804 26.402 23.555 1.00 0.00 O ATOM 26 CB ILE A 2 -4.496 25.772 26.747 1.00 0.00 C ATOM 27 CG1 ILE A 2 -5.851 26.445 26.974 1.00 0.00 C ATOM 28 CG2 ILE A 2 -3.766 25.493 28.064 1.00 0.00 C ATOM 29 CD1 ILE A 2 -6.895 25.429 27.445 1.00 0.00 C ATOM 0 H ILE A 2 -4.863 28.270 25.539 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.594 26.422 26.118 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.691 24.809 26.275 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.748 27.237 27.716 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.187 26.916 26.050 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.408 24.902 28.718 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.848 24.941 27.861 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.522 26.437 28.552 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.849 25.933 27.599 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.013 24.652 26.690 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.567 24.978 28.382 1.00 0.00 H new ATOM 40 N TYR A 3 -4.853 25.560 24.010 1.00 0.00 N ATOM 41 CA TYR A 3 -5.087 25.099 22.653 1.00 0.00 C ATOM 42 C TYR A 3 -4.137 23.955 22.291 1.00 0.00 C ATOM 43 O TYR A 3 -4.574 22.831 22.055 1.00 0.00 O ATOM 44 CB TYR A 3 -4.795 26.295 21.744 1.00 0.00 C ATOM 45 CG TYR A 3 -5.845 26.519 20.655 1.00 0.00 C ATOM 46 CD1 TYR A 3 -6.337 25.447 19.939 1.00 0.00 C ATOM 47 CD2 TYR A 3 -6.302 27.794 20.387 1.00 0.00 C ATOM 48 CE1 TYR A 3 -7.326 25.657 18.913 1.00 0.00 C ATOM 49 CE2 TYR A 3 -7.290 28.005 19.362 1.00 0.00 C ATOM 50 CZ TYR A 3 -7.754 26.926 18.675 1.00 0.00 C ATOM 51 OH TYR A 3 -8.687 27.125 17.706 1.00 0.00 O ATOM 0 H TYR A 3 -5.614 25.371 24.662 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.107 24.730 22.544 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.723 27.194 22.356 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.823 26.151 21.273 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.980 24.449 20.148 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.918 28.634 20.947 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.719 24.826 18.346 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.655 28.998 19.143 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.899 28.080 17.647 1.00 0.00 H new ATOM 60 N LYS A 4 -2.853 24.283 22.258 1.00 0.00 N ATOM 61 CA LYS A 4 -1.837 23.298 21.930 1.00 0.00 C ATOM 62 C LYS A 4 -1.235 22.741 23.221 1.00 0.00 C ATOM 63 O LYS A 4 -1.949 22.517 24.197 1.00 0.00 O ATOM 64 CB LYS A 4 -0.801 23.894 20.974 1.00 0.00 C ATOM 65 CG LYS A 4 0.024 24.978 21.670 1.00 0.00 C ATOM 66 CD LYS A 4 -0.422 26.374 21.229 1.00 0.00 C ATOM 67 CE LYS A 4 0.673 27.409 21.496 1.00 0.00 C ATOM 68 NZ LYS A 4 1.723 27.334 20.455 1.00 0.00 N ATOM 0 H LYS A 4 -2.494 25.217 22.453 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.281 22.457 21.397 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.141 23.107 20.610 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.304 24.316 20.104 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.082 24.883 22.751 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.080 24.840 21.440 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.666 26.363 20.167 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.331 26.655 21.762 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.240 28.409 21.512 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.113 27.236 22.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.395 28.118 20.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.228 26.428 20.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.285 27.403 19.514 1.00 0.00 H new ATOM 78 N GLY A 5 0.073 22.534 23.185 1.00 0.00 N ATOM 79 CA GLY A 5 0.779 22.009 24.341 1.00 0.00 C ATOM 80 C GLY A 5 0.709 20.481 24.379 1.00 0.00 C ATOM 81 O GLY A 5 1.221 19.854 25.305 1.00 0.00 O ATOM 0 H GLY A 5 0.662 22.720 22.374 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.821 22.328 24.311 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.346 22.419 25.253 1.00 0.00 H new ATOM 85 N VAL A 6 0.072 19.924 23.359 1.00 0.00 N ATOM 86 CA VAL A 6 -0.072 18.482 23.263 1.00 0.00 C ATOM 87 C VAL A 6 0.721 17.974 22.057 1.00 0.00 C ATOM 88 O VAL A 6 1.567 17.091 22.193 1.00 0.00 O ATOM 89 CB VAL A 6 -1.554 18.106 23.206 1.00 0.00 C ATOM 90 CG1 VAL A 6 -2.213 18.666 21.944 1.00 0.00 C ATOM 91 CG2 VAL A 6 -1.738 16.590 23.295 1.00 0.00 C ATOM 0 H VAL A 6 -0.350 20.446 22.591 1.00 0.00 H new ATOM 0 HA VAL A 6 0.338 17.998 24.149 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.048 18.554 24.068 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.266 18.385 21.928 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.128 19.753 21.941 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.715 18.260 21.063 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.800 16.349 23.252 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.224 16.112 22.462 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.321 16.227 24.235 1.00 0.00 H new ATOM 101 N ILE A 7 0.420 18.554 20.905 1.00 0.00 N ATOM 102 CA ILE A 7 1.094 18.171 19.676 1.00 0.00 C ATOM 103 C ILE A 7 2.608 18.233 19.889 1.00 0.00 C ATOM 104 O ILE A 7 3.362 17.532 19.215 1.00 0.00 O ATOM 105 CB ILE A 7 0.603 19.027 18.506 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.935 20.503 18.730 1.00 0.00 C ATOM 107 CG2 ILE A 7 -0.890 18.807 18.256 1.00 0.00 C ATOM 108 CD1 ILE A 7 1.467 21.145 17.446 1.00 0.00 C ATOM 0 H ILE A 7 -0.282 19.286 20.796 1.00 0.00 H new ATOM 0 HA ILE A 7 0.850 17.142 19.413 1.00 0.00 H new ATOM 0 HB ILE A 7 1.131 18.711 17.606 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.043 21.034 19.064 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.677 20.597 19.523 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.214 19.427 17.420 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.069 17.758 18.021 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.452 19.080 19.149 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.696 22.194 17.632 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.372 20.627 17.128 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.713 21.071 16.663 1.00 0.00 H new ATOM 119 N GLN A 8 3.007 19.076 20.829 1.00 0.00 N ATOM 120 CA GLN A 8 4.417 19.238 21.139 1.00 0.00 C ATOM 121 C GLN A 8 4.796 18.383 22.350 1.00 0.00 C ATOM 122 O GLN A 8 5.823 17.706 22.340 1.00 0.00 O ATOM 123 CB GLN A 8 4.761 20.710 21.378 1.00 0.00 C ATOM 124 CG GLN A 8 6.264 20.954 21.223 1.00 0.00 C ATOM 125 CD GLN A 8 6.624 21.246 19.764 1.00 0.00 C ATOM 126 OE1 GLN A 8 5.771 21.402 18.907 1.00 0.00 O ATOM 127 NE2 GLN A 8 7.932 21.311 19.533 1.00 0.00 N ATOM 0 H GLN A 8 2.378 19.654 21.386 1.00 0.00 H new ATOM 0 HA GLN A 8 4.998 18.898 20.282 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.213 21.334 20.672 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.442 21.004 22.378 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.567 21.792 21.851 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.816 20.080 21.570 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.592 21.170 20.297 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.275 21.502 18.591 1.00 0.00 H new ATOM 134 N ALA A 9 3.945 18.442 23.364 1.00 0.00 N ATOM 135 CA ALA A 9 4.179 17.680 24.581 1.00 0.00 C ATOM 136 C ALA A 9 4.215 16.188 24.245 1.00 0.00 C ATOM 137 O ALA A 9 4.964 15.429 24.856 1.00 0.00 O ATOM 138 CB ALA A 9 3.098 18.020 25.610 1.00 0.00 C ATOM 0 H ALA A 9 3.094 19.004 23.369 1.00 0.00 H new ATOM 0 HA ALA A 9 5.142 17.942 25.019 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.272 17.450 26.522 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.133 19.086 25.836 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.118 17.767 25.205 1.00 0.00 H new ATOM 144 N ILE A 10 3.397 15.814 23.272 1.00 0.00 N ATOM 145 CA ILE A 10 3.327 14.425 22.847 1.00 0.00 C ATOM 146 C ILE A 10 4.515 14.116 21.933 1.00 0.00 C ATOM 147 O ILE A 10 4.912 12.960 21.797 1.00 0.00 O ATOM 148 CB ILE A 10 1.968 14.128 22.210 1.00 0.00 C ATOM 149 CG1 ILE A 10 1.936 14.581 20.750 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.833 14.747 23.028 1.00 0.00 C ATOM 151 CD1 ILE A 10 0.558 14.336 20.130 1.00 0.00 C ATOM 0 H ILE A 10 2.778 16.447 22.766 1.00 0.00 H new ATOM 0 HA ILE A 10 3.403 13.759 23.706 1.00 0.00 H new ATOM 0 HB ILE A 10 1.817 13.049 22.215 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.183 15.641 20.689 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.695 14.043 20.182 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.122 14.521 22.554 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.844 14.334 24.037 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.967 15.828 23.077 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.562 14.667 19.091 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.325 13.272 20.171 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.195 14.894 20.686 1.00 0.00 H new ATOM 162 N GLN A 11 5.048 15.169 21.331 1.00 0.00 N ATOM 163 CA GLN A 11 6.182 15.024 20.435 1.00 0.00 C ATOM 164 C GLN A 11 7.432 14.620 21.222 1.00 0.00 C ATOM 165 O GLN A 11 8.125 13.675 20.849 1.00 0.00 O ATOM 166 CB GLN A 11 6.424 16.310 19.644 1.00 0.00 C ATOM 167 CG GLN A 11 5.757 16.242 18.268 1.00 0.00 C ATOM 168 CD GLN A 11 6.544 15.331 17.323 1.00 0.00 C ATOM 169 OE1 GLN A 11 6.380 14.122 17.305 1.00 0.00 O ATOM 170 NE2 GLN A 11 7.404 15.977 16.541 1.00 0.00 N ATOM 0 H GLN A 11 4.715 16.126 21.446 1.00 0.00 H new ATOM 0 HA GLN A 11 5.956 14.234 19.719 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.033 17.162 20.200 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.495 16.472 19.525 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.737 15.871 18.372 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.690 17.243 17.842 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.491 16.991 16.608 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.976 15.458 15.875 1.00 0.00 H new ATOM 177 N LYS A 12 7.681 15.359 22.293 1.00 0.00 N ATOM 178 CA LYS A 12 8.835 15.089 23.134 1.00 0.00 C ATOM 179 C LYS A 12 8.907 13.590 23.430 1.00 0.00 C ATOM 180 O LYS A 12 9.959 12.973 23.271 1.00 0.00 O ATOM 181 CB LYS A 12 8.798 15.962 24.390 1.00 0.00 C ATOM 182 CG LYS A 12 9.527 17.288 24.159 1.00 0.00 C ATOM 183 CD LYS A 12 8.549 18.464 24.192 1.00 0.00 C ATOM 184 CE LYS A 12 9.297 19.797 24.274 1.00 0.00 C ATOM 185 NZ LYS A 12 9.969 20.094 22.990 1.00 0.00 N ATOM 0 H LYS A 12 7.104 16.143 22.598 1.00 0.00 H new ATOM 0 HA LYS A 12 9.755 15.356 22.614 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.763 16.156 24.672 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.260 15.429 25.221 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.292 17.425 24.924 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.039 17.263 23.197 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.925 18.448 23.299 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.883 18.364 25.049 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.599 20.598 24.520 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.034 19.759 25.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.472 21.002 23.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.649 19.338 22.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.259 20.151 22.232 1.00 0.00 H new ATOM 195 N SER A 13 7.775 13.048 23.855 1.00 0.00 N ATOM 196 CA SER A 13 7.697 11.633 24.173 1.00 0.00 C ATOM 197 C SER A 13 8.114 10.799 22.960 1.00 0.00 C ATOM 198 O SER A 13 8.624 9.690 23.111 1.00 0.00 O ATOM 199 CB SER A 13 6.286 11.246 24.623 1.00 0.00 C ATOM 200 OG SER A 13 6.273 10.723 25.948 1.00 0.00 O ATOM 0 H SER A 13 6.905 13.564 23.986 1.00 0.00 H new ATOM 0 HA SER A 13 8.381 11.431 24.997 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.637 12.120 24.572 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.877 10.505 23.937 1.00 0.00 H new ATOM 0 HG SER A 13 5.355 10.490 26.199 1.00 0.00 H new ATOM 205 N ASP A 14 7.883 11.365 21.785 1.00 0.00 N ATOM 206 CA ASP A 14 8.228 10.688 20.547 1.00 0.00 C ATOM 207 C ASP A 14 9.692 10.973 20.206 1.00 0.00 C ATOM 208 O ASP A 14 10.343 10.177 19.531 1.00 0.00 O ATOM 209 CB ASP A 14 7.366 11.188 19.386 1.00 0.00 C ATOM 210 CG ASP A 14 5.868 11.280 19.687 1.00 0.00 C ATOM 211 OD1 ASP A 14 5.485 10.855 20.798 1.00 0.00 O ATOM 212 OD2 ASP A 14 5.142 11.776 18.798 1.00 0.00 O ATOM 0 H ASP A 14 7.461 12.286 21.664 1.00 0.00 H new ATOM 0 HA ASP A 14 8.058 9.621 20.688 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.723 12.173 19.086 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.510 10.524 18.534 1.00 0.00 H new ATOM 216 N GLU A 15 10.167 12.113 20.687 1.00 0.00 N ATOM 217 CA GLU A 15 11.542 12.514 20.441 1.00 0.00 C ATOM 218 C GLU A 15 12.471 11.890 21.485 1.00 0.00 C ATOM 219 O GLU A 15 13.264 11.006 21.166 1.00 0.00 O ATOM 220 CB GLU A 15 11.675 14.038 20.430 1.00 0.00 C ATOM 221 CG GLU A 15 12.403 14.515 19.171 1.00 0.00 C ATOM 222 CD GLU A 15 13.123 15.841 19.423 1.00 0.00 C ATOM 223 OE1 GLU A 15 12.431 16.788 19.857 1.00 0.00 O ATOM 224 OE2 GLU A 15 14.347 15.879 19.176 1.00 0.00 O ATOM 0 H GLU A 15 9.624 12.771 21.246 1.00 0.00 H new ATOM 0 HA GLU A 15 11.836 12.150 19.457 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.686 14.493 20.477 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.219 14.366 21.316 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.123 13.760 18.855 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.688 14.634 18.357 1.00 0.00 H new ATOM 229 N GLY A 16 12.342 12.377 22.711 1.00 0.00 N ATOM 230 CA GLY A 16 13.161 11.879 23.803 1.00 0.00 C ATOM 231 C GLY A 16 13.269 10.354 23.756 1.00 0.00 C ATOM 232 O GLY A 16 14.284 9.813 23.321 1.00 0.00 O ATOM 0 H GLY A 16 11.683 13.111 22.972 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.156 12.320 23.746 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.730 12.187 24.755 1.00 0.00 H new ATOM 236 N HIS A 17 12.208 9.703 24.210 1.00 0.00 N ATOM 237 CA HIS A 17 12.171 8.250 24.224 1.00 0.00 C ATOM 238 C HIS A 17 12.119 7.723 22.788 1.00 0.00 C ATOM 239 O HIS A 17 11.803 8.468 21.861 1.00 0.00 O ATOM 240 CB HIS A 17 11.010 7.744 25.083 1.00 0.00 C ATOM 241 CG HIS A 17 11.361 7.555 26.539 1.00 0.00 C ATOM 242 ND1 HIS A 17 11.740 8.601 27.362 1.00 0.00 N ATOM 243 CD2 HIS A 17 11.385 6.430 27.311 1.00 0.00 C ATOM 244 CE1 HIS A 17 11.981 8.117 28.571 1.00 0.00 C ATOM 245 NE2 HIS A 17 11.761 6.771 28.538 1.00 0.00 N ATOM 0 H HIS A 17 11.368 10.155 24.571 1.00 0.00 H new ATOM 0 HA HIS A 17 13.082 7.865 24.683 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.182 8.449 25.008 1.00 0.00 H new ATOM 0 HB3 HIS A 17 10.659 6.795 24.678 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.140 5.432 26.980 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.296 8.688 29.432 1.00 0.00 H new ATOM 0 HE2 HIS A 17 11.868 6.132 29.326 1.00 0.00 H new ATOM 253 N PRO A 18 12.443 6.410 22.646 1.00 0.00 N ATOM 254 CA PRO A 18 12.435 5.775 21.339 1.00 0.00 C ATOM 255 C PRO A 18 11.006 5.510 20.866 1.00 0.00 C ATOM 256 O PRO A 18 10.405 4.499 21.227 1.00 0.00 O ATOM 257 CB PRO A 18 13.248 4.503 21.516 1.00 0.00 C ATOM 258 CG PRO A 18 13.287 4.238 23.012 1.00 0.00 C ATOM 259 CD PRO A 18 12.821 5.498 23.721 1.00 0.00 C ATOM 0 HA PRO A 18 12.869 6.405 20.563 1.00 0.00 H new ATOM 0 HB2 PRO A 18 12.790 3.669 20.984 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.254 4.623 21.114 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.643 3.396 23.267 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.297 3.974 23.327 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.978 5.292 24.381 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.613 5.921 24.339 1.00 0.00 H new ATOM 264 N PHE A 19 10.500 6.436 20.064 1.00 0.00 N ATOM 265 CA PHE A 19 9.152 6.315 19.537 1.00 0.00 C ATOM 266 C PHE A 19 8.978 5.003 18.769 1.00 0.00 C ATOM 267 O PHE A 19 7.889 4.435 18.742 1.00 0.00 O ATOM 268 CB PHE A 19 8.940 7.487 18.577 1.00 0.00 C ATOM 269 CG PHE A 19 9.873 7.474 17.365 1.00 0.00 C ATOM 270 CD1 PHE A 19 11.097 8.062 17.443 1.00 0.00 C ATOM 271 CD2 PHE A 19 9.478 6.876 16.209 1.00 0.00 C ATOM 272 CE1 PHE A 19 11.963 8.051 16.318 1.00 0.00 C ATOM 273 CE2 PHE A 19 10.345 6.864 15.084 1.00 0.00 C ATOM 274 CZ PHE A 19 11.569 7.452 15.162 1.00 0.00 C ATOM 0 H PHE A 19 11.000 7.274 19.767 1.00 0.00 H new ATOM 0 HA PHE A 19 8.431 6.323 20.355 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.907 7.475 18.228 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.082 8.420 19.122 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.410 8.537 18.361 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.505 6.410 16.147 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.935 8.518 16.380 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.032 6.388 14.166 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.228 7.443 14.306 1.00 0.00 H new ATOM 283 N ARG A 20 10.071 4.562 18.162 1.00 0.00 N ATOM 284 CA ARG A 20 10.053 3.328 17.395 1.00 0.00 C ATOM 285 C ARG A 20 9.271 2.248 18.144 1.00 0.00 C ATOM 286 O ARG A 20 8.337 1.662 17.599 1.00 0.00 O ATOM 287 CB ARG A 20 11.474 2.827 17.127 1.00 0.00 C ATOM 288 CG ARG A 20 11.629 2.366 15.676 1.00 0.00 C ATOM 289 CD ARG A 20 12.869 1.485 15.510 1.00 0.00 C ATOM 290 NE ARG A 20 13.232 1.388 14.078 1.00 0.00 N ATOM 291 CZ ARG A 20 14.391 0.888 13.629 1.00 0.00 C ATOM 292 NH1 ARG A 20 15.307 0.436 14.497 1.00 0.00 N ATOM 293 NH2 ARG A 20 14.635 0.838 12.313 1.00 0.00 N ATOM 0 H ARG A 20 10.973 5.037 18.186 1.00 0.00 H new ATOM 0 HA ARG A 20 9.567 3.537 16.442 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.189 3.622 17.338 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.706 2.002 17.801 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.741 1.812 15.370 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.705 3.234 15.021 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.701 1.903 16.077 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.676 0.491 15.913 1.00 0.00 H new ATOM 0 HE ARG A 20 12.557 1.723 13.390 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.122 0.473 15.499 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.189 0.055 14.155 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.938 1.181 11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.518 0.457 11.972 1.00 0.00 H new ATOM 304 N ALA A 21 9.682 2.016 19.383 1.00 0.00 N ATOM 305 CA ALA A 21 9.031 1.017 20.213 1.00 0.00 C ATOM 306 C ALA A 21 7.642 1.518 20.613 1.00 0.00 C ATOM 307 O ALA A 21 6.636 0.880 20.308 1.00 0.00 O ATOM 308 CB ALA A 21 9.912 0.709 21.425 1.00 0.00 C ATOM 0 H ALA A 21 10.458 2.503 19.831 1.00 0.00 H new ATOM 0 HA ALA A 21 8.898 0.086 19.661 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.424 -0.040 22.048 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.876 0.328 21.087 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.065 1.619 22.005 1.00 0.00 H new ATOM 314 N TYR A 22 7.632 2.658 21.291 1.00 0.00 N ATOM 315 CA TYR A 22 6.384 3.252 21.735 1.00 0.00 C ATOM 316 C TYR A 22 5.284 3.069 20.688 1.00 0.00 C ATOM 317 O TYR A 22 4.113 2.914 21.031 1.00 0.00 O ATOM 318 CB TYR A 22 6.665 4.746 21.907 1.00 0.00 C ATOM 319 CG TYR A 22 6.452 5.260 23.332 1.00 0.00 C ATOM 320 CD1 TYR A 22 7.025 4.596 24.398 1.00 0.00 C ATOM 321 CD2 TYR A 22 5.686 6.387 23.552 1.00 0.00 C ATOM 322 CE1 TYR A 22 6.824 5.081 25.739 1.00 0.00 C ATOM 323 CE2 TYR A 22 5.485 6.871 24.893 1.00 0.00 C ATOM 324 CZ TYR A 22 6.064 6.194 25.921 1.00 0.00 C ATOM 325 OH TYR A 22 5.875 6.651 27.188 1.00 0.00 O ATOM 0 H TYR A 22 8.469 3.184 21.543 1.00 0.00 H new ATOM 0 HA TYR A 22 6.043 2.782 22.657 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.694 4.948 21.609 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.021 5.307 21.230 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.624 3.714 24.226 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.237 6.906 22.718 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.267 4.572 26.582 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.888 7.752 25.079 1.00 0.00 H new ATOM 0 HH TYR A 22 5.313 7.453 27.166 1.00 0.00 H new ATOM 334 N LEU A 23 5.701 3.092 19.430 1.00 0.00 N ATOM 335 CA LEU A 23 4.766 2.931 18.329 1.00 0.00 C ATOM 336 C LEU A 23 4.466 1.444 18.134 1.00 0.00 C ATOM 337 O LEU A 23 3.308 1.030 18.183 1.00 0.00 O ATOM 338 CB LEU A 23 5.297 3.621 17.071 1.00 0.00 C ATOM 339 CG LEU A 23 4.405 4.713 16.477 1.00 0.00 C ATOM 340 CD1 LEU A 23 3.053 4.142 16.044 1.00 0.00 C ATOM 341 CD2 LEU A 23 4.248 5.882 17.451 1.00 0.00 C ATOM 0 H LEU A 23 6.673 3.220 19.149 1.00 0.00 H new ATOM 0 HA LEU A 23 3.819 3.420 18.558 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.268 4.059 17.303 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.465 2.861 16.307 1.00 0.00 H new ATOM 0 HG LEU A 23 4.891 5.102 15.582 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.439 4.939 15.625 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.209 3.370 15.290 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.547 3.710 16.907 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.610 6.644 17.005 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.795 5.526 18.377 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.227 6.310 17.667 1.00 0.00 H new ATOM 352 N GLU A 24 5.527 0.681 17.919 1.00 0.00 N ATOM 353 CA GLU A 24 5.391 -0.751 17.718 1.00 0.00 C ATOM 354 C GLU A 24 4.639 -1.384 18.889 1.00 0.00 C ATOM 355 O GLU A 24 3.986 -2.414 18.730 1.00 0.00 O ATOM 356 CB GLU A 24 6.758 -1.410 17.524 1.00 0.00 C ATOM 357 CG GLU A 24 6.973 -1.812 16.064 1.00 0.00 C ATOM 358 CD GLU A 24 7.997 -2.943 15.951 1.00 0.00 C ATOM 359 OE1 GLU A 24 9.011 -2.865 16.677 1.00 0.00 O ATOM 360 OE2 GLU A 24 7.741 -3.861 15.141 1.00 0.00 O ATOM 0 H GLU A 24 6.485 1.028 17.880 1.00 0.00 H new ATOM 0 HA GLU A 24 4.812 -0.916 16.809 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.544 -0.722 17.835 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.835 -2.290 18.162 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.026 -2.129 15.627 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.314 -0.949 15.492 1.00 0.00 H new ATOM 365 N SER A 25 4.755 -0.740 20.042 1.00 0.00 N ATOM 366 CA SER A 25 4.093 -1.226 21.241 1.00 0.00 C ATOM 367 C SER A 25 2.600 -0.897 21.185 1.00 0.00 C ATOM 368 O SER A 25 1.760 -1.788 21.296 1.00 0.00 O ATOM 369 CB SER A 25 4.722 -0.625 22.499 1.00 0.00 C ATOM 370 OG SER A 25 6.137 -0.798 22.524 1.00 0.00 O ATOM 0 H SER A 25 5.298 0.114 20.171 1.00 0.00 H new ATOM 0 HA SER A 25 4.218 -2.308 21.286 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.486 0.438 22.550 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.284 -1.091 23.381 1.00 0.00 H new ATOM 0 HG SER A 25 6.530 -0.398 21.720 1.00 0.00 H new ATOM 375 N GLU A 26 2.315 0.386 21.013 1.00 0.00 N ATOM 376 CA GLU A 26 0.938 0.844 20.941 1.00 0.00 C ATOM 377 C GLU A 26 0.227 0.199 19.751 1.00 0.00 C ATOM 378 O GLU A 26 -0.998 0.078 19.746 1.00 0.00 O ATOM 379 CB GLU A 26 0.872 2.371 20.859 1.00 0.00 C ATOM 380 CG GLU A 26 -0.153 2.928 21.848 1.00 0.00 C ATOM 381 CD GLU A 26 -0.434 4.407 21.571 1.00 0.00 C ATOM 382 OE1 GLU A 26 -1.311 4.668 20.719 1.00 0.00 O ATOM 383 OE2 GLU A 26 0.234 5.242 22.217 1.00 0.00 O ATOM 0 H GLU A 26 3.015 1.123 20.921 1.00 0.00 H new ATOM 0 HA GLU A 26 0.425 0.540 21.854 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.854 2.793 21.071 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.607 2.673 19.846 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.080 2.358 21.777 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.217 2.809 22.866 1.00 0.00 H new ATOM 388 N VAL A 27 1.023 -0.198 18.770 1.00 0.00 N ATOM 389 CA VAL A 27 0.484 -0.827 17.575 1.00 0.00 C ATOM 390 C VAL A 27 0.047 -2.255 17.910 1.00 0.00 C ATOM 391 O VAL A 27 -1.115 -2.612 17.721 1.00 0.00 O ATOM 392 CB VAL A 27 1.511 -0.767 16.443 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.115 -1.695 15.293 1.00 0.00 C ATOM 394 CG2 VAL A 27 1.698 0.669 15.948 1.00 0.00 C ATOM 0 H VAL A 27 2.038 -0.097 18.777 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.397 -0.290 17.225 1.00 0.00 H new ATOM 0 HB VAL A 27 2.466 -1.113 16.839 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.862 -1.633 14.502 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.056 -2.721 15.657 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.144 -1.393 14.900 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.433 0.684 15.143 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.747 1.053 15.578 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.047 1.295 16.770 1.00 0.00 H new ATOM 404 N ALA A 28 1.001 -3.032 18.401 1.00 0.00 N ATOM 405 CA ALA A 28 0.728 -4.412 18.764 1.00 0.00 C ATOM 406 C ALA A 28 -0.394 -4.450 19.803 1.00 0.00 C ATOM 407 O ALA A 28 -1.093 -5.454 19.930 1.00 0.00 O ATOM 408 CB ALA A 28 2.014 -5.070 19.270 1.00 0.00 C ATOM 0 H ALA A 28 1.964 -2.732 18.556 1.00 0.00 H new ATOM 0 HA ALA A 28 0.391 -4.978 17.895 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.810 -6.105 19.543 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.770 -5.044 18.485 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.380 -4.530 20.144 1.00 0.00 H new ATOM 414 N ILE A 29 -0.532 -3.344 20.520 1.00 0.00 N ATOM 415 CA ILE A 29 -1.557 -3.239 21.543 1.00 0.00 C ATOM 416 C ILE A 29 -2.888 -2.860 20.889 1.00 0.00 C ATOM 417 O ILE A 29 -3.954 -3.137 21.438 1.00 0.00 O ATOM 418 CB ILE A 29 -1.117 -2.272 22.645 1.00 0.00 C ATOM 419 CG1 ILE A 29 -0.026 -2.895 23.517 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.315 -1.802 23.473 1.00 0.00 C ATOM 421 CD1 ILE A 29 -0.556 -4.119 24.268 1.00 0.00 C ATOM 0 H ILE A 29 0.050 -2.513 20.412 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.705 -4.201 22.034 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.686 -1.389 22.173 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.821 -3.184 22.895 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.340 -2.157 24.230 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.975 -1.116 24.249 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.028 -1.292 22.825 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.797 -2.663 23.936 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.240 -4.543 24.880 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.387 -3.822 24.908 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.899 -4.865 23.551 1.00 0.00 H new ATOM 432 N SER A 30 -2.782 -2.235 19.726 1.00 0.00 N ATOM 433 CA SER A 30 -3.964 -1.817 18.991 1.00 0.00 C ATOM 434 C SER A 30 -4.655 -3.034 18.375 1.00 0.00 C ATOM 435 O SER A 30 -5.880 -3.069 18.268 1.00 0.00 O ATOM 436 CB SER A 30 -3.605 -0.803 17.903 1.00 0.00 C ATOM 437 OG SER A 30 -3.111 -1.435 16.725 1.00 0.00 O ATOM 0 H SER A 30 -1.896 -2.008 19.274 1.00 0.00 H new ATOM 0 HA SER A 30 -4.648 -1.334 19.689 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.486 -0.211 17.654 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.854 -0.112 18.285 1.00 0.00 H new ATOM 0 HG SER A 30 -2.157 -1.632 16.835 1.00 0.00 H new ATOM 442 N GLU A 31 -3.840 -4.004 17.986 1.00 0.00 N ATOM 443 CA GLU A 31 -4.358 -5.220 17.383 1.00 0.00 C ATOM 444 C GLU A 31 -5.449 -5.828 18.267 1.00 0.00 C ATOM 445 O GLU A 31 -6.317 -6.550 17.780 1.00 0.00 O ATOM 446 CB GLU A 31 -3.235 -6.227 17.128 1.00 0.00 C ATOM 447 CG GLU A 31 -3.799 -7.568 16.653 1.00 0.00 C ATOM 448 CD GLU A 31 -4.381 -7.450 15.244 1.00 0.00 C ATOM 449 OE1 GLU A 31 -3.594 -7.623 14.288 1.00 0.00 O ATOM 450 OE2 GLU A 31 -5.600 -7.189 15.154 1.00 0.00 O ATOM 0 H GLU A 31 -2.825 -3.972 18.077 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.799 -4.965 16.419 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.549 -5.831 16.379 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.659 -6.374 18.042 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.012 -8.322 16.663 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.573 -7.906 17.343 1.00 0.00 H new ATOM 455 N GLU A 32 -5.369 -5.513 19.552 1.00 0.00 N ATOM 456 CA GLU A 32 -6.339 -6.019 20.508 1.00 0.00 C ATOM 457 C GLU A 32 -7.656 -5.250 20.386 1.00 0.00 C ATOM 458 O GLU A 32 -8.726 -5.802 20.633 1.00 0.00 O ATOM 459 CB GLU A 32 -5.791 -5.945 21.935 1.00 0.00 C ATOM 460 CG GLU A 32 -5.300 -7.316 22.405 1.00 0.00 C ATOM 461 CD GLU A 32 -4.300 -7.176 23.555 1.00 0.00 C ATOM 462 OE1 GLU A 32 -4.649 -6.471 24.526 1.00 0.00 O ATOM 463 OE2 GLU A 32 -3.210 -7.777 23.436 1.00 0.00 O ATOM 0 H GLU A 32 -4.647 -4.914 19.953 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.531 -7.068 20.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.972 -5.227 21.977 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.568 -5.582 22.608 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.149 -7.919 22.728 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.832 -7.843 21.574 1.00 0.00 H new ATOM 468 N LEU A 33 -7.533 -3.987 20.006 1.00 0.00 N ATOM 469 CA LEU A 33 -8.700 -3.136 19.848 1.00 0.00 C ATOM 470 C LEU A 33 -9.562 -3.667 18.700 1.00 0.00 C ATOM 471 O LEU A 33 -10.772 -3.830 18.851 1.00 0.00 O ATOM 472 CB LEU A 33 -8.279 -1.675 19.677 1.00 0.00 C ATOM 473 CG LEU A 33 -8.047 -0.888 20.968 1.00 0.00 C ATOM 474 CD1 LEU A 33 -6.554 -0.655 21.206 1.00 0.00 C ATOM 475 CD2 LEU A 33 -8.838 0.422 20.962 1.00 0.00 C ATOM 0 H LEU A 33 -6.643 -3.532 19.803 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.315 -3.163 20.747 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.362 -1.649 19.089 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.045 -1.163 19.095 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.418 -1.483 21.802 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.416 -0.093 22.130 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.044 -1.615 21.285 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.136 -0.090 20.372 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.655 0.962 21.891 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.521 1.035 20.118 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.902 0.204 20.873 1.00 0.00 H new ATOM 486 N VAL A 34 -8.904 -3.921 17.579 1.00 0.00 N ATOM 487 CA VAL A 34 -9.595 -4.430 16.406 1.00 0.00 C ATOM 488 C VAL A 34 -10.170 -5.813 16.718 1.00 0.00 C ATOM 489 O VAL A 34 -11.124 -6.251 16.077 1.00 0.00 O ATOM 490 CB VAL A 34 -8.649 -4.433 15.203 1.00 0.00 C ATOM 491 CG1 VAL A 34 -8.043 -3.047 14.978 1.00 0.00 C ATOM 492 CG2 VAL A 34 -7.555 -5.490 15.368 1.00 0.00 C ATOM 0 H VAL A 34 -7.901 -3.784 17.458 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.432 -3.782 16.144 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.233 -4.690 14.319 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.375 -3.077 14.117 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.840 -2.327 14.793 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.481 -2.747 15.863 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.897 -5.471 14.499 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.976 -5.277 16.267 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.012 -6.476 15.455 1.00 0.00 H new ATOM 502 N GLN A 35 -9.567 -6.461 17.702 1.00 0.00 N ATOM 503 CA GLN A 35 -10.007 -7.785 18.108 1.00 0.00 C ATOM 504 C GLN A 35 -11.122 -7.677 19.150 1.00 0.00 C ATOM 505 O GLN A 35 -12.059 -8.476 19.147 1.00 0.00 O ATOM 506 CB GLN A 35 -8.836 -8.613 18.642 1.00 0.00 C ATOM 507 CG GLN A 35 -9.225 -10.087 18.778 1.00 0.00 C ATOM 508 CD GLN A 35 -8.087 -10.898 19.402 1.00 0.00 C ATOM 509 OE1 GLN A 35 -6.924 -10.536 19.337 1.00 0.00 O ATOM 510 NE2 GLN A 35 -8.487 -12.012 20.008 1.00 0.00 N ATOM 0 H GLN A 35 -8.776 -6.094 18.231 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.403 -8.299 17.232 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.983 -8.519 17.970 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.523 -8.225 19.611 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.120 -10.176 19.394 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.471 -10.494 17.797 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.477 -12.256 20.025 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.804 -12.623 20.456 1.00 0.00 H new ATOM 517 N LYS A 36 -10.985 -6.685 20.016 1.00 0.00 N ATOM 518 CA LYS A 36 -11.970 -6.463 21.062 1.00 0.00 C ATOM 519 C LYS A 36 -13.288 -6.012 20.428 1.00 0.00 C ATOM 520 O LYS A 36 -14.355 -6.192 21.013 1.00 0.00 O ATOM 521 CB LYS A 36 -11.428 -5.490 22.111 1.00 0.00 C ATOM 522 CG LYS A 36 -11.959 -5.834 23.504 1.00 0.00 C ATOM 523 CD LYS A 36 -10.822 -6.265 24.433 1.00 0.00 C ATOM 524 CE LYS A 36 -11.293 -7.344 25.411 1.00 0.00 C ATOM 525 NZ LYS A 36 -10.711 -7.118 26.752 1.00 0.00 N ATOM 0 H LYS A 36 -10.207 -6.025 20.016 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.174 -7.391 21.596 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.339 -5.523 22.115 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.715 -4.471 21.850 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.470 -4.969 23.926 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.695 -6.634 23.429 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.988 -6.644 23.842 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.454 -5.402 24.988 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.381 -7.336 25.474 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.003 -8.328 25.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.041 -7.859 27.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.673 -7.149 26.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.009 -6.187 27.107 1.00 0.00 H new ATOM 535 N TYR A 37 -13.169 -5.434 19.242 1.00 0.00 N ATOM 536 CA TYR A 37 -14.337 -4.956 18.522 1.00 0.00 C ATOM 537 C TYR A 37 -15.362 -6.078 18.333 1.00 0.00 C ATOM 538 O TYR A 37 -16.553 -5.815 18.176 1.00 0.00 O ATOM 539 CB TYR A 37 -13.834 -4.505 17.150 1.00 0.00 C ATOM 540 CG TYR A 37 -14.145 -5.487 16.019 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.614 -6.760 16.045 1.00 0.00 C ATOM 542 CD2 TYR A 37 -14.958 -5.099 14.974 1.00 0.00 C ATOM 543 CE1 TYR A 37 -13.907 -7.685 14.980 1.00 0.00 C ATOM 544 CE2 TYR A 37 -15.252 -6.024 13.909 1.00 0.00 C ATOM 545 CZ TYR A 37 -14.711 -7.271 13.965 1.00 0.00 C ATOM 546 OH TYR A 37 -14.988 -8.144 12.959 1.00 0.00 O ATOM 0 H TYR A 37 -12.282 -5.286 18.761 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.823 -4.151 19.073 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.279 -3.539 16.911 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.756 -4.355 17.201 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.979 -7.063 16.864 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.374 -4.102 14.954 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.497 -8.684 14.988 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.887 -5.734 13.085 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.575 -7.712 12.304 1.00 0.00 H new ATOM 555 N SER A 38 -14.860 -7.303 18.354 1.00 0.00 N ATOM 556 CA SER A 38 -15.716 -8.465 18.186 1.00 0.00 C ATOM 557 C SER A 38 -16.430 -8.782 19.502 1.00 0.00 C ATOM 558 O SER A 38 -17.601 -9.162 19.501 1.00 0.00 O ATOM 559 CB SER A 38 -14.913 -9.678 17.713 1.00 0.00 C ATOM 560 OG SER A 38 -15.737 -10.823 17.523 1.00 0.00 O ATOM 0 H SER A 38 -13.871 -7.517 18.485 1.00 0.00 H new ATOM 0 HA SER A 38 -16.459 -8.235 17.422 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.408 -9.436 16.778 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.138 -9.907 18.444 1.00 0.00 H new ATOM 0 HG SER A 38 -15.187 -11.575 17.220 1.00 0.00 H new ATOM 565 N ASN A 39 -15.697 -8.616 20.592 1.00 0.00 N ATOM 566 CA ASN A 39 -16.245 -8.880 21.912 1.00 0.00 C ATOM 567 C ASN A 39 -16.997 -7.641 22.403 1.00 0.00 C ATOM 568 O ASN A 39 -18.186 -7.715 22.711 1.00 0.00 O ATOM 569 CB ASN A 39 -15.135 -9.189 22.918 1.00 0.00 C ATOM 570 CG ASN A 39 -15.491 -10.411 23.767 1.00 0.00 C ATOM 571 OD1 ASN A 39 -15.080 -11.528 23.498 1.00 0.00 O ATOM 572 ND2 ASN A 39 -16.275 -10.138 24.806 1.00 0.00 N ATOM 0 H ASN A 39 -14.727 -8.301 20.589 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.911 -9.740 21.835 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.199 -9.369 22.389 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.975 -8.326 23.565 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -16.568 -10.886 25.435 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.584 -9.180 24.974 1.00 0.00 H new ATOM 578 N SER A 40 -16.274 -6.534 22.462 1.00 0.00 N ATOM 579 CA SER A 40 -16.859 -5.281 22.911 1.00 0.00 C ATOM 580 C SER A 40 -18.105 -4.960 22.086 1.00 0.00 C ATOM 581 O SER A 40 -19.014 -4.283 22.565 1.00 0.00 O ATOM 582 CB SER A 40 -15.848 -4.136 22.815 1.00 0.00 C ATOM 583 OG SER A 40 -15.802 -3.574 21.507 1.00 0.00 O ATOM 0 H SER A 40 -15.288 -6.477 22.207 1.00 0.00 H new ATOM 0 HA SER A 40 -17.143 -5.392 23.957 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.110 -3.360 23.534 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.858 -4.502 23.087 1.00 0.00 H new ATOM 0 HG SER A 40 -14.910 -3.709 21.124 1.00 0.00 H new ATOM 588 N ALA A 41 -18.110 -5.460 20.859 1.00 0.00 N ATOM 589 CA ALA A 41 -19.231 -5.235 19.963 1.00 0.00 C ATOM 590 C ALA A 41 -20.536 -5.531 20.702 1.00 0.00 C ATOM 591 O ALA A 41 -21.104 -4.648 21.343 1.00 0.00 O ATOM 592 CB ALA A 41 -19.062 -6.095 18.709 1.00 0.00 C ATOM 0 H ALA A 41 -17.355 -6.021 20.464 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.264 -4.194 19.642 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -19.903 -5.927 18.036 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.134 -5.825 18.205 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.028 -7.147 18.991 1.00 0.00 H new ATOM 598 N LEU A 42 -20.975 -6.776 20.587 1.00 0.00 N ATOM 599 CA LEU A 42 -22.205 -7.198 21.236 1.00 0.00 C ATOM 600 C LEU A 42 -23.401 -6.608 20.488 1.00 0.00 C ATOM 601 O LEU A 42 -24.281 -7.342 20.040 1.00 0.00 O ATOM 602 CB LEU A 42 -22.174 -6.844 22.724 1.00 0.00 C ATOM 603 CG LEU A 42 -22.041 -8.022 23.692 1.00 0.00 C ATOM 604 CD1 LEU A 42 -21.260 -7.617 24.943 1.00 0.00 C ATOM 605 CD2 LEU A 42 -23.413 -8.605 24.036 1.00 0.00 C ATOM 0 H LEU A 42 -20.501 -7.506 20.054 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.306 -8.282 21.192 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -21.342 -6.161 22.897 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -23.088 -6.301 22.967 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.471 -8.809 23.198 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.180 -8.472 25.614 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -20.262 -7.285 24.657 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.781 -6.805 25.450 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -23.291 -9.441 24.725 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -24.028 -7.836 24.503 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.899 -8.954 23.125 1.00 0.00 H new ATOM 616 N GLY A 43 -23.396 -5.288 20.375 1.00 0.00 N ATOM 617 CA GLY A 43 -24.470 -4.591 19.689 1.00 0.00 C ATOM 618 C GLY A 43 -24.139 -3.107 19.518 1.00 0.00 C ATOM 619 O GLY A 43 -24.803 -2.248 20.099 1.00 0.00 O ATOM 0 H GLY A 43 -22.664 -4.683 20.747 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.637 -5.045 18.712 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.396 -4.698 20.253 1.00 0.00 H new ATOM 623 N HIS A 44 -23.113 -2.850 18.721 1.00 0.00 N ATOM 624 CA HIS A 44 -22.686 -1.484 18.467 1.00 0.00 C ATOM 625 C HIS A 44 -21.745 -1.025 19.582 1.00 0.00 C ATOM 626 O HIS A 44 -22.195 -0.504 20.602 1.00 0.00 O ATOM 627 CB HIS A 44 -23.894 -0.562 18.291 1.00 0.00 C ATOM 628 CG HIS A 44 -23.755 0.421 17.152 1.00 0.00 C ATOM 629 ND1 HIS A 44 -23.216 1.672 17.115 1.00 0.00 N flip ATOM 630 CD2 HIS A 44 -24.206 0.151 15.871 1.00 0.00 C flip ATOM 631 CE1 HIS A 44 -23.328 2.141 15.878 1.00 0.00 C flip ATOM 632 NE2 HIS A 44 -23.941 1.199 15.106 1.00 0.00 N flip ATOM 0 H HIS A 44 -22.564 -3.564 18.242 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.130 -1.440 17.530 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -24.782 -1.171 18.125 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -24.055 -0.010 19.217 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -24.691 -0.759 15.550 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -22.989 3.109 15.539 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -24.158 1.286 14.113 1.00 0.00 H new ATOM 640 N VAL A 45 -20.458 -1.234 19.350 1.00 0.00 N ATOM 641 CA VAL A 45 -19.450 -0.847 20.324 1.00 0.00 C ATOM 642 C VAL A 45 -18.089 -0.752 19.631 1.00 0.00 C ATOM 643 O VAL A 45 -17.328 0.182 19.878 1.00 0.00 O ATOM 644 CB VAL A 45 -19.455 -1.826 21.500 1.00 0.00 C ATOM 645 CG1 VAL A 45 -18.187 -1.678 22.342 1.00 0.00 C ATOM 646 CG2 VAL A 45 -20.709 -1.646 22.358 1.00 0.00 C ATOM 0 H VAL A 45 -20.089 -1.666 18.503 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.675 0.136 20.737 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.470 -2.837 21.094 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.216 -2.385 23.171 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.313 -1.881 21.723 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.127 -0.662 22.733 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -20.688 -2.354 23.187 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.739 -0.629 22.750 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.595 -1.827 21.750 1.00 0.00 H new ATOM 656 N ASN A 46 -17.825 -1.732 18.779 1.00 0.00 N ATOM 657 CA ASN A 46 -16.569 -1.769 18.049 1.00 0.00 C ATOM 658 C ASN A 46 -16.373 -0.444 17.310 1.00 0.00 C ATOM 659 O ASN A 46 -15.246 0.025 17.157 1.00 0.00 O ATOM 660 CB ASN A 46 -16.569 -2.894 17.011 1.00 0.00 C ATOM 661 CG ASN A 46 -17.972 -3.115 16.443 1.00 0.00 C ATOM 662 OD1 ASN A 46 -18.860 -2.289 16.573 1.00 0.00 O ATOM 663 ND2 ASN A 46 -18.121 -4.275 15.808 1.00 0.00 N ATOM 0 H ASN A 46 -18.459 -2.506 18.578 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.767 -1.940 18.767 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.880 -2.648 16.203 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.208 -3.816 17.468 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.021 -4.518 15.394 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.335 -4.921 15.736 1.00 0.00 H new ATOM 669 N CYS A 47 -17.488 0.123 16.871 1.00 0.00 N ATOM 670 CA CYS A 47 -17.452 1.384 16.151 1.00 0.00 C ATOM 671 C CYS A 47 -16.913 2.460 17.095 1.00 0.00 C ATOM 672 O CYS A 47 -16.366 3.468 16.648 1.00 0.00 O ATOM 673 CB CYS A 47 -18.827 1.754 15.591 1.00 0.00 C ATOM 674 SG CYS A 47 -20.094 1.629 16.906 1.00 0.00 S ATOM 0 H CYS A 47 -18.421 -0.268 17.000 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.792 1.295 15.288 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.805 2.768 15.191 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.082 1.091 14.764 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.656 2.788 17.078 1.00 0.00 H new ATOM 679 N THR A 48 -17.084 2.211 18.385 1.00 0.00 N ATOM 680 CA THR A 48 -16.621 3.146 19.397 1.00 0.00 C ATOM 681 C THR A 48 -15.148 2.892 19.724 1.00 0.00 C ATOM 682 O THR A 48 -14.355 3.829 19.802 1.00 0.00 O ATOM 683 CB THR A 48 -17.543 3.024 20.612 1.00 0.00 C ATOM 684 OG1 THR A 48 -18.852 3.175 20.070 1.00 0.00 O ATOM 685 CG2 THR A 48 -17.400 4.203 21.576 1.00 0.00 C ATOM 0 H THR A 48 -17.537 1.375 18.753 1.00 0.00 H new ATOM 0 HA THR A 48 -16.669 4.174 19.037 1.00 0.00 H new ATOM 0 HB THR A 48 -17.327 2.095 21.140 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.514 3.107 20.790 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.076 4.067 22.420 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.373 4.255 21.938 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.649 5.129 21.058 1.00 0.00 H new ATOM 693 N ILE A 49 -14.826 1.619 19.905 1.00 0.00 N ATOM 694 CA ILE A 49 -13.463 1.230 20.222 1.00 0.00 C ATOM 695 C ILE A 49 -12.582 1.420 18.985 1.00 0.00 C ATOM 696 O ILE A 49 -11.427 1.827 19.098 1.00 0.00 O ATOM 697 CB ILE A 49 -13.429 -0.191 20.788 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.596 -1.229 19.676 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.471 -0.365 21.895 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.236 -1.701 19.157 1.00 0.00 C ATOM 0 H ILE A 49 -15.486 0.844 19.838 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.057 1.870 21.005 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.450 -0.356 21.238 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.162 -2.082 20.052 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.173 -0.800 18.857 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.426 -1.384 22.280 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.265 0.338 22.702 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.465 -0.173 21.492 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.384 -2.438 18.368 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.683 -0.850 18.760 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.672 -2.152 19.973 1.00 0.00 H new ATOM 711 N LYS A 50 -13.162 1.117 17.833 1.00 0.00 N ATOM 712 CA LYS A 50 -12.445 1.250 16.577 1.00 0.00 C ATOM 713 C LYS A 50 -12.124 2.726 16.331 1.00 0.00 C ATOM 714 O LYS A 50 -10.959 3.098 16.202 1.00 0.00 O ATOM 715 CB LYS A 50 -13.230 0.595 15.439 1.00 0.00 C ATOM 716 CG LYS A 50 -13.222 -0.930 15.575 1.00 0.00 C ATOM 717 CD LYS A 50 -12.635 -1.588 14.324 1.00 0.00 C ATOM 718 CE LYS A 50 -12.392 -3.082 14.554 1.00 0.00 C ATOM 719 NZ LYS A 50 -11.194 -3.531 13.812 1.00 0.00 N ATOM 0 H LYS A 50 -14.120 0.780 17.743 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.494 0.719 16.625 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.257 0.959 15.444 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.796 0.881 14.481 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.639 -1.218 16.450 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.238 -1.290 15.737 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.315 -1.452 13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.697 -1.100 14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.262 -3.276 15.619 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.263 -3.652 14.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.974 -4.514 14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.377 -3.475 12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.387 -2.921 14.053 1.00 0.00 H new ATOM 729 N GLU A 51 -13.178 3.526 16.273 1.00 0.00 N ATOM 730 CA GLU A 51 -13.022 4.953 16.045 1.00 0.00 C ATOM 731 C GLU A 51 -12.087 5.559 17.093 1.00 0.00 C ATOM 732 O GLU A 51 -11.572 6.660 16.908 1.00 0.00 O ATOM 733 CB GLU A 51 -14.380 5.660 16.048 1.00 0.00 C ATOM 734 CG GLU A 51 -14.783 6.066 17.468 1.00 0.00 C ATOM 735 CD GLU A 51 -16.201 6.639 17.491 1.00 0.00 C ATOM 736 OE1 GLU A 51 -17.022 6.159 16.679 1.00 0.00 O ATOM 737 OE2 GLU A 51 -16.433 7.546 18.320 1.00 0.00 O ATOM 0 H GLU A 51 -14.143 3.214 16.380 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.575 5.097 15.061 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.335 6.544 15.412 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.138 5.001 15.625 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.726 5.200 18.128 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.081 6.806 17.852 1.00 0.00 H new ATOM 742 N LEU A 52 -11.894 4.813 18.171 1.00 0.00 N ATOM 743 CA LEU A 52 -11.030 5.262 19.249 1.00 0.00 C ATOM 744 C LEU A 52 -9.571 5.176 18.796 1.00 0.00 C ATOM 745 O LEU A 52 -8.826 6.150 18.898 1.00 0.00 O ATOM 746 CB LEU A 52 -11.323 4.483 20.532 1.00 0.00 C ATOM 747 CG LEU A 52 -11.454 5.316 21.808 1.00 0.00 C ATOM 748 CD1 LEU A 52 -10.126 5.988 22.164 1.00 0.00 C ATOM 749 CD2 LEU A 52 -12.594 6.329 21.687 1.00 0.00 C ATOM 0 H LEU A 52 -12.322 3.899 18.321 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.230 6.307 19.487 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.248 3.924 20.391 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.528 3.752 20.679 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.705 4.645 22.629 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.247 6.574 23.075 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.363 5.226 22.322 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.820 6.644 21.349 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.665 6.908 22.608 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.397 7.000 20.851 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.533 5.802 21.516 1.00 0.00 H new ATOM 760 N ARG A 53 -9.207 4.001 18.305 1.00 0.00 N ATOM 761 CA ARG A 53 -7.850 3.774 17.836 1.00 0.00 C ATOM 762 C ARG A 53 -7.742 4.102 16.345 1.00 0.00 C ATOM 763 O ARG A 53 -7.099 5.080 15.966 1.00 0.00 O ATOM 764 CB ARG A 53 -7.423 2.322 18.063 1.00 0.00 C ATOM 765 CG ARG A 53 -6.220 1.961 17.190 1.00 0.00 C ATOM 766 CD ARG A 53 -6.616 0.971 16.093 1.00 0.00 C ATOM 767 NE ARG A 53 -5.420 0.247 15.609 1.00 0.00 N ATOM 768 CZ ARG A 53 -4.454 0.804 14.865 1.00 0.00 C ATOM 769 NH1 ARG A 53 -4.538 2.095 14.517 1.00 0.00 N ATOM 770 NH2 ARG A 53 -3.405 0.070 14.471 1.00 0.00 N ATOM 0 H ARG A 53 -9.828 3.196 18.222 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.189 4.428 18.405 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.172 2.173 19.113 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.255 1.655 17.836 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.810 2.864 16.739 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.434 1.528 17.809 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.349 0.262 16.479 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.089 1.501 15.267 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.324 -0.738 15.857 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.337 2.653 14.818 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.803 2.519 13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.341 -0.913 14.737 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.670 0.494 13.905 1.00 0.00 H new ATOM 781 N ARG A 54 -8.381 3.266 15.540 1.00 0.00 N ATOM 782 CA ARG A 54 -8.364 3.455 14.099 1.00 0.00 C ATOM 783 C ARG A 54 -8.872 4.853 13.741 1.00 0.00 C ATOM 784 O ARG A 54 -8.203 5.595 13.024 1.00 0.00 O ATOM 785 CB ARG A 54 -9.233 2.409 13.396 1.00 0.00 C ATOM 786 CG ARG A 54 -8.636 2.020 12.043 1.00 0.00 C ATOM 787 CD ARG A 54 -7.599 0.906 12.201 1.00 0.00 C ATOM 788 NE ARG A 54 -6.580 1.008 11.133 1.00 0.00 N ATOM 789 CZ ARG A 54 -5.430 0.318 11.123 1.00 0.00 C ATOM 790 NH1 ARG A 54 -5.147 -0.527 12.123 1.00 0.00 N ATOM 791 NH2 ARG A 54 -4.565 0.474 10.111 1.00 0.00 N ATOM 0 H ARG A 54 -8.914 2.456 15.858 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.334 3.341 13.762 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.324 1.524 14.026 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.239 2.803 13.254 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.430 1.690 11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.171 2.892 11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.122 0.978 13.178 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.089 -0.067 12.156 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.764 1.643 10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.806 -0.646 12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.272 -1.052 12.115 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.782 1.117 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.690 -0.050 10.102 1.00 0.00 H new ATOM 802 N LEU A 55 -10.050 5.169 14.257 1.00 0.00 N ATOM 803 CA LEU A 55 -10.656 6.466 14.000 1.00 0.00 C ATOM 804 C LEU A 55 -11.295 6.459 12.610 1.00 0.00 C ATOM 805 O LEU A 55 -11.799 7.483 12.151 1.00 0.00 O ATOM 806 CB LEU A 55 -9.631 7.584 14.200 1.00 0.00 C ATOM 807 CG LEU A 55 -8.738 7.462 15.436 1.00 0.00 C ATOM 808 CD1 LEU A 55 -7.261 7.591 15.060 1.00 0.00 C ATOM 809 CD2 LEU A 55 -9.146 8.473 16.510 1.00 0.00 C ATOM 0 H LEU A 55 -10.602 4.550 14.852 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.453 6.663 14.717 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.992 7.626 13.318 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.164 8.533 14.254 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.877 6.468 15.860 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.648 7.501 15.957 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.994 6.802 14.357 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.087 8.563 14.598 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.495 8.365 17.378 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.055 9.484 16.112 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.179 8.292 16.807 1.00 0.00 H new ATOM 820 N PHE A 56 -11.255 5.294 11.981 1.00 0.00 N ATOM 821 CA PHE A 56 -11.825 5.140 10.653 1.00 0.00 C ATOM 822 C PHE A 56 -12.548 3.798 10.518 1.00 0.00 C ATOM 823 O PHE A 56 -13.644 3.733 9.962 1.00 0.00 O ATOM 824 CB PHE A 56 -10.662 5.182 9.660 1.00 0.00 C ATOM 825 CG PHE A 56 -11.059 4.839 8.223 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.101 3.541 7.820 1.00 0.00 C ATOM 827 CD2 PHE A 56 -11.369 5.832 7.348 1.00 0.00 C ATOM 828 CE1 PHE A 56 -11.469 3.222 6.486 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.738 5.514 6.013 1.00 0.00 C ATOM 830 CZ PHE A 56 -11.779 4.215 5.611 1.00 0.00 C ATOM 0 H PHE A 56 -10.837 4.447 12.366 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.550 5.932 10.465 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.220 6.178 9.676 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -9.891 4.485 9.989 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.854 2.752 8.515 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.335 6.863 7.668 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.503 2.191 6.167 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.986 6.303 5.318 1.00 0.00 H new ATOM 0 HZ PHE A 56 -12.058 3.973 4.596 1.00 0.00 H new ATOM 839 N LEU A 57 -11.906 2.762 11.037 1.00 0.00 N ATOM 840 CA LEU A 57 -12.474 1.426 10.981 1.00 0.00 C ATOM 841 C LEU A 57 -13.980 1.505 11.244 1.00 0.00 C ATOM 842 O LEU A 57 -14.783 1.131 10.391 1.00 0.00 O ATOM 843 CB LEU A 57 -11.732 0.488 11.936 1.00 0.00 C ATOM 844 CG LEU A 57 -11.072 -0.734 11.295 1.00 0.00 C ATOM 845 CD1 LEU A 57 -12.123 -1.749 10.837 1.00 0.00 C ATOM 846 CD2 LEU A 57 -10.141 -0.320 10.154 1.00 0.00 C ATOM 0 H LEU A 57 -10.998 2.821 11.498 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.345 0.999 9.986 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.963 1.062 12.454 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.435 0.141 12.693 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.458 -1.225 12.050 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.627 -2.608 10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.709 -2.079 11.695 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.783 -1.284 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.685 -1.208 9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.713 0.208 9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.361 0.335 10.541 1.00 0.00 H new ATOM 857 N VAL A 58 -14.316 1.994 12.429 1.00 0.00 N ATOM 858 CA VAL A 58 -15.710 2.127 12.815 1.00 0.00 C ATOM 859 C VAL A 58 -16.417 0.782 12.630 1.00 0.00 C ATOM 860 O VAL A 58 -17.151 0.592 11.661 1.00 0.00 O ATOM 861 CB VAL A 58 -16.366 3.262 12.025 1.00 0.00 C ATOM 862 CG1 VAL A 58 -17.883 3.264 12.225 1.00 0.00 C ATOM 863 CG2 VAL A 58 -15.762 4.615 12.403 1.00 0.00 C ATOM 0 H VAL A 58 -13.647 2.303 13.134 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.791 2.394 13.869 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.167 3.091 10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.324 4.080 11.653 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.296 2.315 11.882 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -18.110 3.398 13.283 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.246 5.403 11.827 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.914 4.797 13.467 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.694 4.610 12.185 1.00 0.00 H new ATOM 873 N ASP A 59 -16.170 -0.114 13.573 1.00 0.00 N ATOM 874 CA ASP A 59 -16.773 -1.435 13.526 1.00 0.00 C ATOM 875 C ASP A 59 -16.338 -2.144 12.242 1.00 0.00 C ATOM 876 O ASP A 59 -16.884 -1.884 11.170 1.00 0.00 O ATOM 877 CB ASP A 59 -18.301 -1.343 13.522 1.00 0.00 C ATOM 878 CG ASP A 59 -19.024 -2.630 13.119 1.00 0.00 C ATOM 879 OD1 ASP A 59 -18.329 -3.663 13.017 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.257 -2.550 12.923 1.00 0.00 O ATOM 0 H ASP A 59 -15.560 0.048 14.375 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.447 -1.986 14.408 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.635 -1.053 14.518 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.601 -0.547 12.840 1.00 0.00 H new ATOM 884 N ASP A 60 -15.360 -3.026 12.392 1.00 0.00 N ATOM 885 CA ASP A 60 -14.846 -3.773 11.258 1.00 0.00 C ATOM 886 C ASP A 60 -13.464 -4.330 11.603 1.00 0.00 C ATOM 887 O ASP A 60 -13.023 -5.316 11.015 1.00 0.00 O ATOM 888 CB ASP A 60 -14.700 -2.876 10.027 1.00 0.00 C ATOM 889 CG ASP A 60 -15.756 -3.093 8.941 1.00 0.00 C ATOM 890 OD1 ASP A 60 -16.840 -3.605 9.296 1.00 0.00 O ATOM 891 OD2 ASP A 60 -15.455 -2.742 7.779 1.00 0.00 O ATOM 0 H ASP A 60 -14.910 -3.239 13.282 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.549 -4.576 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.739 -1.835 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.714 -3.039 9.592 1.00 0.00 H new TER 895 ASP A 60