USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 86 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.1!) USER MOD Single : A 4 MET CE :methyl 178:sc= -0.947 (180deg=-0.963) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.02) USER MOD Single : A 10 LYS NZ :NH3+ -160:sc=-0.00999 (180deg=-0.241) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0541 F(o=-1,f=-0.054) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.012) USER MOD Single : A 23 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.083) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= -0.21 (180deg=-1.26!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 22.279 0.420 -8.843 1.00 0.00 N ATOM 2 CA LEU A 1 21.308 1.561 -9.064 1.00 0.00 C ATOM 3 C LEU A 1 20.278 1.714 -7.923 1.00 0.00 C ATOM 4 O LEU A 1 20.431 1.174 -6.823 1.00 0.00 O ATOM 5 CB LEU A 1 20.645 1.335 -10.419 1.00 0.00 C ATOM 6 CG LEU A 1 20.958 2.447 -11.435 1.00 0.00 C ATOM 7 CD1 LEU A 1 20.431 2.050 -12.807 1.00 0.00 C ATOM 8 CD2 LEU A 1 20.345 3.798 -11.039 1.00 0.00 C ATOM 0 H1 LEU A 1 22.943 0.370 -9.642 1.00 0.00 H new ATOM 0 H2 LEU A 1 22.808 0.580 -7.962 1.00 0.00 H new ATOM 0 H3 LEU A 1 21.753 -0.475 -8.773 1.00 0.00 H new ATOM 0 HA LEU A 1 21.850 2.507 -9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.975 0.378 -10.823 1.00 0.00 H new ATOM 0 HB3 LEU A 1 19.566 1.269 -10.282 1.00 0.00 H new ATOM 0 HG LEU A 1 22.041 2.565 -11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 1 20.654 2.839 -13.525 1.00 0.00 H new ATOM 0 HD12 LEU A 1 20.909 1.124 -13.126 1.00 0.00 H new ATOM 0 HD13 LEU A 1 19.352 1.902 -12.754 1.00 0.00 H new ATOM 0 HD21 LEU A 1 20.597 4.546 -11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 1 19.261 3.701 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 1 20.741 4.108 -10.072 1.00 0.00 H new ATOM 12 N GLN A 2 19.261 2.536 -8.191 1.00 0.00 N ATOM 13 CA GLN A 2 18.123 2.780 -7.260 1.00 0.00 C ATOM 14 C GLN A 2 17.494 1.446 -6.835 1.00 0.00 C ATOM 15 O GLN A 2 17.294 0.560 -7.660 1.00 0.00 O ATOM 16 CB GLN A 2 17.107 3.652 -7.999 1.00 0.00 C ATOM 17 CG GLN A 2 16.771 4.921 -7.212 1.00 0.00 C ATOM 18 CD GLN A 2 15.406 4.825 -6.521 1.00 0.00 C ATOM 19 OE1 GLN A 2 15.261 4.453 -5.367 1.00 0.00 O ATOM 20 NE2 GLN A 2 14.368 5.158 -7.265 1.00 0.00 N ATOM 0 H GLN A 2 19.190 3.061 -9.062 1.00 0.00 H new ATOM 0 HA GLN A 2 18.461 3.284 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 2 17.505 3.925 -8.977 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.196 3.080 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.544 5.099 -6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.776 5.778 -7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.508 5.467 -8.227 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.426 5.107 -6.878 1.00 0.00 H new ATOM 24 N ARG A 3 17.268 1.341 -5.538 1.00 0.00 N ATOM 25 CA ARG A 3 16.830 0.083 -4.848 1.00 0.00 C ATOM 26 C ARG A 3 17.857 -1.055 -5.011 1.00 0.00 C ATOM 27 O ARG A 3 17.782 -1.927 -5.870 1.00 0.00 O ATOM 28 CB ARG A 3 15.378 -0.243 -5.254 1.00 0.00 C ATOM 29 CG ARG A 3 14.898 -1.625 -4.779 1.00 0.00 C ATOM 30 CD ARG A 3 13.409 -1.959 -5.012 1.00 0.00 C ATOM 31 NE ARG A 3 13.026 -1.849 -6.429 1.00 0.00 N ATOM 32 CZ ARG A 3 13.712 -2.318 -7.485 1.00 0.00 C ATOM 33 NH1 ARG A 3 14.557 -3.333 -7.389 1.00 0.00 N ATOM 34 NH2 ARG A 3 14.039 -1.419 -8.402 1.00 0.00 N ATOM 0 H ARG A 3 17.378 2.128 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 3 16.808 0.228 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.716 0.521 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 3 15.294 -0.192 -6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.499 -2.384 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.102 -1.708 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.207 -2.971 -4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.791 -1.286 -4.418 1.00 0.00 H new ATOM 0 HE ARG A 3 12.150 -1.367 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.706 -3.789 -6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.059 -3.659 -8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.769 -0.443 -8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.560 -1.703 -9.231 1.00 0.00 H new ATOM 41 N MET A 4 18.889 -0.939 -4.169 1.00 0.00 N ATOM 42 CA MET A 4 19.987 -1.939 -4.107 1.00 0.00 C ATOM 43 C MET A 4 19.995 -2.819 -2.842 1.00 0.00 C ATOM 44 O MET A 4 20.525 -3.920 -2.876 1.00 0.00 O ATOM 45 CB MET A 4 21.351 -1.255 -4.284 1.00 0.00 C ATOM 46 CG MET A 4 21.762 -0.313 -3.137 1.00 0.00 C ATOM 47 SD MET A 4 22.055 1.410 -3.645 1.00 0.00 S ATOM 48 CE MET A 4 20.383 1.983 -3.811 1.00 0.00 C ATOM 0 H MET A 4 18.997 -0.164 -3.515 1.00 0.00 H new ATOM 0 HA MET A 4 19.794 -2.621 -4.935 1.00 0.00 H new ATOM 0 HB2 MET A 4 22.115 -2.025 -4.393 1.00 0.00 H new ATOM 0 HB3 MET A 4 21.337 -0.686 -5.214 1.00 0.00 H new ATOM 0 HG2 MET A 4 20.982 -0.327 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 4 22.668 -0.701 -2.672 1.00 0.00 H new ATOM 0 HE1 MET A 4 20.385 3.038 -4.084 1.00 0.00 H new ATOM 0 HE2 MET A 4 19.877 1.408 -4.587 1.00 0.00 H new ATOM 0 HE3 MET A 4 19.859 1.855 -2.864 1.00 0.00 H new ATOM 50 N LYS A 5 19.358 -2.296 -1.787 1.00 0.00 N ATOM 51 CA LYS A 5 19.282 -2.791 -0.383 1.00 0.00 C ATOM 52 C LYS A 5 18.766 -1.745 0.616 1.00 0.00 C ATOM 53 O LYS A 5 18.035 -2.056 1.546 1.00 0.00 O ATOM 54 CB LYS A 5 20.554 -3.420 0.189 1.00 0.00 C ATOM 55 CG LYS A 5 20.578 -4.945 -0.038 1.00 0.00 C ATOM 56 CD LYS A 5 20.486 -5.797 1.241 1.00 0.00 C ATOM 57 CE LYS A 5 19.156 -5.686 1.990 1.00 0.00 C ATOM 58 NZ LYS A 5 19.436 -5.133 3.323 1.00 0.00 N ATOM 0 H LYS A 5 18.827 -1.431 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 5 18.553 -3.594 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.428 -2.967 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.618 -3.208 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.750 -5.212 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.497 -5.204 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.653 -6.842 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 5 21.292 -5.505 1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.464 -5.042 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.682 -6.664 2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.547 -5.046 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.085 -5.766 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 19.874 -4.195 3.225 1.00 0.00 H new ATOM 63 N GLN A 6 19.076 -0.472 0.342 1.00 0.00 N ATOM 64 CA GLN A 6 18.650 0.670 1.181 1.00 0.00 C ATOM 65 C GLN A 6 17.313 1.269 0.742 1.00 0.00 C ATOM 66 O GLN A 6 16.289 1.053 1.372 1.00 0.00 O ATOM 67 CB GLN A 6 19.764 1.729 1.175 1.00 0.00 C ATOM 68 CG GLN A 6 20.953 1.320 2.052 1.00 0.00 C ATOM 69 CD GLN A 6 20.632 1.502 3.552 1.00 0.00 C ATOM 70 OE1 GLN A 6 20.364 2.590 4.024 1.00 0.00 O ATOM 71 NE2 GLN A 6 20.630 0.436 4.297 1.00 0.00 N ATOM 0 H GLN A 6 19.631 -0.197 -0.469 1.00 0.00 H new ATOM 0 HA GLN A 6 18.486 0.305 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 6 20.106 1.889 0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.363 2.679 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 6 21.211 0.279 1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 6 21.825 1.919 1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.856 -0.471 3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 6 20.402 0.507 5.289 1.00 0.00 H new ATOM 75 N LEU A 7 17.327 1.791 -0.485 1.00 0.00 N ATOM 76 CA LEU A 7 16.112 2.320 -1.146 1.00 0.00 C ATOM 77 C LEU A 7 15.059 1.229 -1.381 1.00 0.00 C ATOM 78 O LEU A 7 13.873 1.531 -1.439 1.00 0.00 O ATOM 79 CB LEU A 7 16.459 3.045 -2.447 1.00 0.00 C ATOM 80 CG LEU A 7 17.597 4.055 -2.277 1.00 0.00 C ATOM 81 CD1 LEU A 7 17.949 4.676 -3.628 1.00 0.00 C ATOM 82 CD2 LEU A 7 17.284 5.178 -1.278 1.00 0.00 C ATOM 0 H LEU A 7 18.171 1.863 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 7 15.670 3.047 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.740 2.311 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.573 3.561 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 7 18.439 3.493 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.759 5.393 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.264 3.893 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.075 5.185 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.137 5.854 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.408 5.732 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.085 4.747 -0.297 1.00 0.00 H new ATOM 84 N GLU A 8 15.491 -0.039 -1.293 1.00 0.00 N ATOM 85 CA GLU A 8 14.585 -1.208 -1.299 1.00 0.00 C ATOM 86 C GLU A 8 13.566 -1.150 -0.152 1.00 0.00 C ATOM 87 O GLU A 8 12.383 -1.088 -0.450 1.00 0.00 O ATOM 88 CB GLU A 8 15.324 -2.547 -1.418 1.00 0.00 C ATOM 89 CG GLU A 8 15.647 -3.376 -0.146 1.00 0.00 C ATOM 90 CD GLU A 8 14.414 -3.983 0.517 1.00 0.00 C ATOM 91 OE1 GLU A 8 13.522 -4.543 -0.094 1.00 0.00 O ATOM 92 OE2 GLU A 8 14.313 -3.747 1.847 1.00 0.00 O ATOM 0 H GLU A 8 16.477 -0.287 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 8 13.999 -1.147 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.735 -3.184 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.269 -2.351 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.338 -4.176 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.159 -2.737 0.574 1.00 0.00 H new ATOM 95 N ASP A 9 14.041 -0.811 1.031 1.00 0.00 N ATOM 96 CA ASP A 9 13.187 -0.707 2.230 1.00 0.00 C ATOM 97 C ASP A 9 12.171 0.455 2.121 1.00 0.00 C ATOM 98 O ASP A 9 10.990 0.236 2.318 1.00 0.00 O ATOM 99 CB ASP A 9 14.070 -0.614 3.462 1.00 0.00 C ATOM 100 CG ASP A 9 13.564 -1.576 4.537 1.00 0.00 C ATOM 101 OD1 ASP A 9 13.944 -2.735 4.646 1.00 0.00 O ATOM 102 OD2 ASP A 9 12.643 -1.083 5.388 1.00 0.00 O ATOM 0 H ASP A 9 15.024 -0.598 1.203 1.00 0.00 H new ATOM 0 HA ASP A 9 12.577 -1.606 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.100 -0.856 3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.069 0.407 3.845 1.00 0.00 H new ATOM 105 N LYS A 10 12.626 1.523 1.465 1.00 0.00 N ATOM 106 CA LYS A 10 11.808 2.718 1.176 1.00 0.00 C ATOM 107 C LYS A 10 10.752 2.439 0.072 1.00 0.00 C ATOM 108 O LYS A 10 9.556 2.589 0.301 1.00 0.00 O ATOM 109 CB LYS A 10 12.754 3.873 0.833 1.00 0.00 C ATOM 110 CG LYS A 10 12.010 5.143 0.405 1.00 0.00 C ATOM 111 CD LYS A 10 12.924 6.367 0.395 1.00 0.00 C ATOM 112 CE LYS A 10 12.262 7.535 -0.341 1.00 0.00 C ATOM 113 NZ LYS A 10 12.298 7.279 -1.784 1.00 0.00 N ATOM 0 H LYS A 10 13.581 1.591 1.113 1.00 0.00 H new ATOM 0 HA LYS A 10 11.225 2.997 2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.376 4.097 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.424 3.562 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.588 4.998 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.175 5.320 1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.156 6.661 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.869 6.117 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.231 7.654 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.781 8.466 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.173 8.174 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.214 6.858 -2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.532 6.623 -2.039 1.00 0.00 H new ATOM 118 N VAL A 11 11.206 1.950 -1.074 1.00 0.00 N ATOM 119 CA VAL A 11 10.351 1.594 -2.237 1.00 0.00 C ATOM 120 C VAL A 11 9.375 0.435 -1.915 1.00 0.00 C ATOM 121 O VAL A 11 8.203 0.504 -2.266 1.00 0.00 O ATOM 122 CB VAL A 11 11.241 1.334 -3.480 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.472 0.773 -4.679 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.918 2.633 -3.931 1.00 0.00 C ATOM 0 H VAL A 11 12.198 1.780 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 11 9.703 2.438 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 11 11.970 0.588 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.159 0.616 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.012 -0.176 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.697 1.479 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.539 2.435 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.157 3.370 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.540 3.019 -3.123 1.00 0.00 H new ATOM 126 N GLU A 12 9.860 -0.568 -1.204 1.00 0.00 N ATOM 127 CA GLU A 12 9.018 -1.687 -0.716 1.00 0.00 C ATOM 128 C GLU A 12 7.935 -1.178 0.241 1.00 0.00 C ATOM 129 O GLU A 12 6.767 -1.458 0.006 1.00 0.00 O ATOM 130 CB GLU A 12 9.893 -2.745 -0.026 1.00 0.00 C ATOM 131 CG GLU A 12 9.097 -3.974 0.412 1.00 0.00 C ATOM 132 CD GLU A 12 9.682 -4.524 1.706 1.00 0.00 C ATOM 133 OE1 GLU A 12 9.924 -3.825 2.681 1.00 0.00 O ATOM 134 OE2 GLU A 12 9.931 -5.854 1.739 1.00 0.00 O ATOM 0 H GLU A 12 10.842 -0.645 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 12 8.523 -2.145 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.686 -3.055 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.375 -2.300 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.050 -3.709 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.128 -4.737 -0.366 1.00 0.00 H new ATOM 137 N GLU A 13 8.330 -0.309 1.181 1.00 0.00 N ATOM 138 CA GLU A 13 7.399 0.374 2.117 1.00 0.00 C ATOM 139 C GLU A 13 6.225 1.084 1.410 1.00 0.00 C ATOM 140 O GLU A 13 5.122 1.097 1.951 1.00 0.00 O ATOM 141 CB GLU A 13 8.138 1.368 3.006 1.00 0.00 C ATOM 142 CG GLU A 13 8.350 0.792 4.410 1.00 0.00 C ATOM 143 CD GLU A 13 9.756 1.040 4.949 1.00 0.00 C ATOM 144 OE1 GLU A 13 10.436 2.040 4.702 1.00 0.00 O ATOM 145 OE2 GLU A 13 10.217 0.096 5.797 1.00 0.00 O ATOM 0 H GLU A 13 9.307 -0.052 1.322 1.00 0.00 H new ATOM 0 HA GLU A 13 6.973 -0.420 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.102 1.614 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.570 2.296 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.622 1.233 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.158 -0.281 4.390 1.00 0.00 H new ATOM 148 N LEU A 14 6.459 1.477 0.162 1.00 0.00 N ATOM 149 CA LEU A 14 5.405 2.074 -0.682 1.00 0.00 C ATOM 150 C LEU A 14 4.321 1.017 -0.941 1.00 0.00 C ATOM 151 O LEU A 14 3.289 1.138 -0.321 1.00 0.00 O ATOM 152 CB LEU A 14 5.907 2.621 -2.026 1.00 0.00 C ATOM 153 CG LEU A 14 7.074 3.605 -1.893 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.444 4.107 -3.291 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.809 4.780 -0.946 1.00 0.00 C ATOM 0 H LEU A 14 7.367 1.397 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 14 5.015 2.931 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.217 1.786 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.082 3.117 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 14 7.903 3.064 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.274 4.810 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.737 3.263 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.584 4.607 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.687 5.425 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.953 5.351 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.599 4.401 0.054 1.00 0.00 H new ATOM 157 N LEU A 15 4.656 -0.085 -1.608 1.00 0.00 N ATOM 158 CA LEU A 15 3.700 -1.179 -1.901 1.00 0.00 C ATOM 159 C LEU A 15 3.023 -1.704 -0.621 1.00 0.00 C ATOM 160 O LEU A 15 1.809 -1.598 -0.541 1.00 0.00 O ATOM 161 CB LEU A 15 4.327 -2.354 -2.649 1.00 0.00 C ATOM 162 CG LEU A 15 5.304 -1.960 -3.773 1.00 0.00 C ATOM 163 CD1 LEU A 15 5.727 -3.222 -4.511 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.749 -0.940 -4.776 1.00 0.00 C ATOM 0 H LEU A 15 5.596 -0.256 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 15 2.953 -0.728 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.855 -2.982 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.529 -2.961 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 15 6.148 -1.466 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.420 -2.961 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.217 -3.904 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.848 -3.707 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.505 -0.723 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.862 -1.350 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.485 -0.021 -4.252 1.00 0.00 H new ATOM 166 N SER A 16 3.801 -1.952 0.430 1.00 0.00 N ATOM 167 CA SER A 16 3.301 -2.338 1.772 1.00 0.00 C ATOM 168 C SER A 16 2.105 -1.495 2.271 1.00 0.00 C ATOM 169 O SER A 16 1.208 -2.011 2.929 1.00 0.00 O ATOM 170 CB SER A 16 4.403 -2.181 2.823 1.00 0.00 C ATOM 171 OG SER A 16 5.639 -2.709 2.328 1.00 0.00 O ATOM 0 H SER A 16 4.818 -1.893 0.385 1.00 0.00 H new ATOM 0 HA SER A 16 2.978 -3.372 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.525 -1.128 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.119 -2.699 3.739 1.00 0.00 H new ATOM 0 HG SER A 16 6.336 -2.601 3.008 1.00 0.00 H new ATOM 174 N LYS A 17 2.130 -0.208 1.904 1.00 0.00 N ATOM 175 CA LYS A 17 1.039 0.750 2.134 1.00 0.00 C ATOM 176 C LYS A 17 0.148 1.009 0.896 1.00 0.00 C ATOM 177 O LYS A 17 -1.051 0.851 0.986 1.00 0.00 O ATOM 178 CB LYS A 17 1.624 2.026 2.735 1.00 0.00 C ATOM 179 CG LYS A 17 0.634 3.200 2.822 1.00 0.00 C ATOM 180 CD LYS A 17 0.970 4.234 3.905 1.00 0.00 C ATOM 181 CE LYS A 17 2.422 4.746 3.940 1.00 0.00 C ATOM 182 NZ LYS A 17 2.837 5.300 2.638 1.00 0.00 N ATOM 0 H LYS A 17 2.930 0.208 1.426 1.00 0.00 H new ATOM 0 HA LYS A 17 0.344 0.305 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.995 1.805 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.482 2.334 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.599 3.703 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.364 2.805 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.309 5.091 3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.739 3.798 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.519 5.512 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.089 3.930 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.820 5.635 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.768 4.562 1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.216 6.095 2.385 1.00 0.00 H new ATOM 187 N ASN A 18 0.697 1.386 -0.252 1.00 0.00 N ATOM 188 CA ASN A 18 -0.039 1.663 -1.503 1.00 0.00 C ATOM 189 C ASN A 18 -0.934 0.484 -1.941 1.00 0.00 C ATOM 190 O ASN A 18 -2.111 0.643 -2.244 1.00 0.00 O ATOM 191 CB ASN A 18 0.951 2.028 -2.626 1.00 0.00 C ATOM 192 CG ASN A 18 0.279 2.705 -3.831 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.578 2.002 -4.532 1.00 0.00 O flip ATOM 194 ND2 ASN A 18 0.521 3.858 -4.137 1.00 0.00 N flip ATOM 0 H ASN A 18 1.704 1.515 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.701 2.506 -1.307 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.716 2.692 -2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.458 1.124 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.188 4.402 -3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.057 4.280 -4.941 1.00 0.00 H new ATOM 198 N TYR A 19 -0.358 -0.713 -1.932 1.00 0.00 N ATOM 199 CA TYR A 19 -1.060 -1.983 -2.225 1.00 0.00 C ATOM 200 C TYR A 19 -2.171 -2.270 -1.177 1.00 0.00 C ATOM 201 O TYR A 19 -3.257 -2.705 -1.536 1.00 0.00 O ATOM 202 CB TYR A 19 -0.040 -3.133 -2.223 1.00 0.00 C ATOM 203 CG TYR A 19 -0.212 -4.203 -3.303 1.00 0.00 C ATOM 204 CD1 TYR A 19 -1.485 -4.466 -3.867 1.00 0.00 C ATOM 205 CD2 TYR A 19 0.939 -4.930 -3.689 1.00 0.00 C ATOM 206 CE1 TYR A 19 -1.606 -5.478 -4.847 1.00 0.00 C ATOM 207 CE2 TYR A 19 0.812 -5.944 -4.661 1.00 0.00 C ATOM 208 CZ TYR A 19 -0.455 -6.201 -5.219 1.00 0.00 C ATOM 209 OH TYR A 19 -0.584 -7.161 -6.177 1.00 0.00 O ATOM 0 H TYR A 19 0.631 -0.843 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.533 -1.899 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.957 -2.704 -2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.080 -3.622 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.350 -3.902 -3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.900 -4.712 -3.246 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.562 -5.693 -5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.674 -6.515 -4.973 1.00 0.00 H new ATOM 0 HH TYR A 19 0.287 -7.581 -6.338 1.00 0.00 H new ATOM 212 N HIS A 20 -1.902 -1.860 0.059 1.00 0.00 N ATOM 213 CA HIS A 20 -2.859 -1.890 1.187 1.00 0.00 C ATOM 214 C HIS A 20 -3.924 -0.765 1.133 1.00 0.00 C ATOM 215 O HIS A 20 -5.035 -0.904 1.637 1.00 0.00 O ATOM 216 CB HIS A 20 -1.972 -1.863 2.453 1.00 0.00 C ATOM 217 CG HIS A 20 -2.576 -1.324 3.747 1.00 0.00 C ATOM 218 ND1 HIS A 20 -3.075 -2.021 4.752 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.749 -0.029 4.019 1.00 0.00 C ATOM 220 CE1 HIS A 20 -3.588 -1.178 5.634 1.00 0.00 C ATOM 221 NE2 HIS A 20 -3.404 0.034 5.194 1.00 0.00 N ATOM 0 H HIS A 20 -0.991 -1.486 0.322 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.483 -2.783 1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.633 -2.881 2.643 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.087 -1.269 2.226 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.427 0.806 3.415 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.075 -1.448 6.559 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.706 0.889 5.662 1.00 0.00 H new ATOM 225 N LEU A 21 -3.609 0.320 0.434 1.00 0.00 N ATOM 226 CA LEU A 21 -4.456 1.523 0.254 1.00 0.00 C ATOM 227 C LEU A 21 -5.640 1.229 -0.669 1.00 0.00 C ATOM 228 O LEU A 21 -6.784 1.526 -0.313 1.00 0.00 O ATOM 229 CB LEU A 21 -3.569 2.669 -0.270 1.00 0.00 C ATOM 230 CG LEU A 21 -4.335 3.856 -0.873 1.00 0.00 C ATOM 231 CD1 LEU A 21 -5.058 4.695 0.187 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.385 4.706 -1.724 1.00 0.00 C ATOM 0 H LEU A 21 -2.716 0.402 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.889 1.825 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.950 3.034 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.893 2.269 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.120 3.457 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.582 5.519 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.776 4.070 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.331 5.093 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.932 5.547 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.573 5.080 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.973 4.096 -2.528 1.00 0.00 H new ATOM 234 N GLU A 22 -5.361 0.573 -1.796 1.00 0.00 N ATOM 235 CA GLU A 22 -6.425 0.088 -2.715 1.00 0.00 C ATOM 236 C GLU A 22 -7.425 -0.834 -1.968 1.00 0.00 C ATOM 237 O GLU A 22 -8.633 -0.689 -2.135 1.00 0.00 O ATOM 238 CB GLU A 22 -5.817 -0.591 -3.947 1.00 0.00 C ATOM 239 CG GLU A 22 -6.925 -1.022 -4.918 1.00 0.00 C ATOM 240 CD GLU A 22 -6.411 -1.335 -6.322 1.00 0.00 C ATOM 241 OE1 GLU A 22 -6.340 -0.489 -7.194 1.00 0.00 O ATOM 242 OE2 GLU A 22 -6.065 -2.616 -6.583 1.00 0.00 O ATOM 0 H GLU A 22 -4.413 0.359 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.991 0.948 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.132 0.093 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.234 -1.460 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.427 -1.903 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.672 -0.231 -4.980 1.00 0.00 H new ATOM 245 N ASN A 23 -6.897 -1.597 -1.011 1.00 0.00 N ATOM 246 CA ASN A 23 -7.730 -2.452 -0.143 1.00 0.00 C ATOM 247 C ASN A 23 -8.774 -1.661 0.658 1.00 0.00 C ATOM 248 O ASN A 23 -9.951 -2.019 0.645 1.00 0.00 O ATOM 249 CB ASN A 23 -6.842 -3.243 0.830 1.00 0.00 C ATOM 250 CG ASN A 23 -6.839 -4.736 0.498 1.00 0.00 C ATOM 251 OD1 ASN A 23 -5.813 -5.395 0.432 1.00 0.00 O ATOM 252 ND2 ASN A 23 -8.013 -5.298 0.279 1.00 0.00 N ATOM 0 H ASN A 23 -5.898 -1.646 -0.812 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.270 -3.129 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.823 -2.858 0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.198 -3.097 1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.069 -6.291 0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.864 -4.739 0.336 1.00 0.00 H new ATOM 256 N GLU A 24 -8.338 -0.520 1.181 1.00 0.00 N ATOM 257 CA GLU A 24 -9.217 0.413 1.911 1.00 0.00 C ATOM 258 C GLU A 24 -10.285 1.019 0.999 1.00 0.00 C ATOM 259 O GLU A 24 -11.459 0.802 1.276 1.00 0.00 O ATOM 260 CB GLU A 24 -8.424 1.516 2.607 1.00 0.00 C ATOM 261 CG GLU A 24 -8.756 1.497 4.092 1.00 0.00 C ATOM 262 CD GLU A 24 -8.190 2.732 4.793 1.00 0.00 C ATOM 263 OE1 GLU A 24 -6.989 2.924 4.951 1.00 0.00 O ATOM 264 OE2 GLU A 24 -9.098 3.661 5.179 1.00 0.00 O ATOM 0 H GLU A 24 -7.369 -0.208 1.116 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.721 -0.175 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.355 1.364 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.671 2.487 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.837 1.461 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.348 0.595 4.549 1.00 0.00 H new ATOM 267 N VAL A 25 -9.885 1.596 -0.134 1.00 0.00 N ATOM 268 CA VAL A 25 -10.794 2.107 -1.188 1.00 0.00 C ATOM 269 C VAL A 25 -11.934 1.105 -1.507 1.00 0.00 C ATOM 270 O VAL A 25 -13.090 1.509 -1.529 1.00 0.00 O ATOM 271 CB VAL A 25 -10.004 2.500 -2.465 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.911 3.066 -3.565 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.931 3.551 -2.153 1.00 0.00 C ATOM 0 H VAL A 25 -8.899 1.729 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.267 3.009 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.543 1.579 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.309 3.325 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.652 2.318 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.417 3.958 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.395 3.806 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.405 4.446 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.230 3.149 -1.421 1.00 0.00 H new ATOM 275 N ALA A 26 -11.595 -0.186 -1.552 1.00 0.00 N ATOM 276 CA ALA A 26 -12.573 -1.269 -1.745 1.00 0.00 C ATOM 277 C ALA A 26 -13.540 -1.404 -0.542 1.00 0.00 C ATOM 278 O ALA A 26 -14.723 -1.086 -0.693 1.00 0.00 O ATOM 279 CB ALA A 26 -11.844 -2.583 -2.026 1.00 0.00 C ATOM 0 H ALA A 26 -10.634 -0.514 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.190 -1.018 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.573 -3.381 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.240 -2.479 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.198 -2.828 -1.183 1.00 0.00 H new ATOM 281 N ARG A 27 -13.006 -1.697 0.640 1.00 0.00 N ATOM 282 CA ARG A 27 -13.803 -1.746 1.885 1.00 0.00 C ATOM 283 C ARG A 27 -14.629 -0.467 2.139 1.00 0.00 C ATOM 284 O ARG A 27 -15.823 -0.559 2.350 1.00 0.00 O ATOM 285 CB ARG A 27 -12.998 -2.113 3.132 1.00 0.00 C ATOM 286 CG ARG A 27 -12.580 -3.594 3.077 1.00 0.00 C ATOM 287 CD ARG A 27 -12.492 -4.224 4.467 1.00 0.00 C ATOM 288 NE ARG A 27 -13.830 -4.539 5.016 1.00 0.00 N ATOM 289 CZ ARG A 27 -14.465 -5.722 4.918 1.00 0.00 C ATOM 290 NH1 ARG A 27 -14.036 -6.687 4.131 1.00 0.00 N ATOM 291 NH2 ARG A 27 -15.404 -6.033 5.804 1.00 0.00 N ATOM 0 H ARG A 27 -12.017 -1.907 0.773 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.500 -2.564 1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.113 -1.480 3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -13.594 -1.928 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.298 -4.150 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.613 -3.678 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.897 -5.136 4.415 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.974 -3.543 5.142 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.315 -3.792 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.196 -6.551 3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.544 -7.570 4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.638 -5.378 6.550 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.891 -6.927 5.738 1.00 0.00 H new ATOM 298 N LEU A 28 -14.052 0.680 1.813 1.00 0.00 N ATOM 299 CA LEU A 28 -14.677 2.019 1.836 1.00 0.00 C ATOM 300 C LEU A 28 -15.868 2.135 0.875 1.00 0.00 C ATOM 301 O LEU A 28 -16.981 2.414 1.310 1.00 0.00 O ATOM 302 CB LEU A 28 -13.548 3.033 1.541 1.00 0.00 C ATOM 303 CG LEU A 28 -13.992 4.398 0.997 1.00 0.00 C ATOM 304 CD1 LEU A 28 -14.664 5.234 2.080 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.806 5.132 0.401 1.00 0.00 C ATOM 0 H LEU A 28 -13.080 0.717 1.506 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.119 2.223 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.985 3.196 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.862 2.584 0.823 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.729 4.231 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.967 6.194 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.542 4.708 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.964 5.399 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.132 6.099 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.048 5.283 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.385 4.542 -0.413 1.00 0.00 H new ATOM 307 N LYS A 29 -15.626 1.882 -0.414 1.00 0.00 N ATOM 308 CA LYS A 29 -16.655 1.975 -1.457 1.00 0.00 C ATOM 309 C LYS A 29 -17.803 0.972 -1.209 1.00 0.00 C ATOM 310 O LYS A 29 -18.970 1.318 -1.354 1.00 0.00 O ATOM 311 CB LYS A 29 -15.998 1.807 -2.822 1.00 0.00 C ATOM 312 CG LYS A 29 -16.742 2.580 -3.901 1.00 0.00 C ATOM 313 CD LYS A 29 -15.756 3.417 -4.718 1.00 0.00 C ATOM 314 CE LYS A 29 -16.491 4.240 -5.790 1.00 0.00 C ATOM 315 NZ LYS A 29 -15.642 5.358 -6.210 1.00 0.00 N ATOM 0 H LYS A 29 -14.709 1.606 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.120 2.960 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.965 2.151 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.970 0.750 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.274 1.888 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.491 3.227 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.204 4.085 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.025 2.763 -5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.732 3.610 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.435 4.614 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.137 5.916 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.433 5.963 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.753 4.990 -6.604 1.00 0.00 H new ATOM 320 N LYS A 30 -17.456 -0.182 -0.623 1.00 0.00 N ATOM 321 CA LYS A 30 -18.457 -1.168 -0.182 1.00 0.00 C ATOM 322 C LYS A 30 -19.187 -0.769 1.123 1.00 0.00 C ATOM 323 O LYS A 30 -20.366 -1.038 1.283 1.00 0.00 O ATOM 324 CB LYS A 30 -17.856 -2.587 -0.182 1.00 0.00 C ATOM 325 CG LYS A 30 -17.170 -3.102 1.079 1.00 0.00 C ATOM 326 CD LYS A 30 -18.180 -3.661 2.096 1.00 0.00 C ATOM 327 CE LYS A 30 -17.641 -4.875 2.847 1.00 0.00 C ATOM 328 NZ LYS A 30 -17.315 -5.928 1.864 1.00 0.00 N ATOM 0 H LYS A 30 -16.491 -0.457 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.263 -1.177 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.658 -3.283 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -17.131 -2.637 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.456 -3.881 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.602 -2.293 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.440 -2.881 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -19.098 -3.937 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.754 -4.603 3.419 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.381 -5.239 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.521 -6.861 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.888 -5.792 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.306 -5.873 1.618 1.00 0.00 H new ATOM 333 N LEU A 31 -18.484 -0.047 2.010 1.00 0.00 N ATOM 334 CA LEU A 31 -19.062 0.514 3.254 1.00 0.00 C ATOM 335 C LEU A 31 -20.133 1.582 2.981 1.00 0.00 C ATOM 336 O LEU A 31 -21.094 1.719 3.729 1.00 0.00 O ATOM 337 CB LEU A 31 -17.963 1.092 4.161 1.00 0.00 C ATOM 338 CG LEU A 31 -17.332 0.009 5.050 1.00 0.00 C ATOM 339 CD1 LEU A 31 -15.949 0.455 5.516 1.00 0.00 C ATOM 340 CD2 LEU A 31 -18.210 -0.259 6.277 1.00 0.00 C ATOM 0 H LEU A 31 -17.494 0.168 1.889 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.551 -0.315 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.190 1.555 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -18.385 1.878 4.788 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.246 -0.906 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.510 -0.319 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.310 0.624 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -16.038 1.379 6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.747 -1.029 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -18.314 0.658 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -19.194 -0.597 5.953 1.00 0.00 H new ATOM 342 N VAL A 32 -20.048 2.173 1.786 1.00 0.00 N ATOM 343 CA VAL A 32 -21.059 3.128 1.273 1.00 0.00 C ATOM 344 C VAL A 32 -22.232 2.387 0.568 1.00 0.00 C ATOM 345 O VAL A 32 -23.204 3.001 0.147 1.00 0.00 O ATOM 346 CB VAL A 32 -20.341 4.195 0.410 1.00 0.00 C ATOM 347 CG1 VAL A 32 -21.285 5.286 -0.106 1.00 0.00 C ATOM 348 CG2 VAL A 32 -19.235 4.905 1.197 1.00 0.00 C ATOM 0 H VAL A 32 -19.277 2.008 1.138 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.542 3.660 2.092 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.931 3.637 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -20.721 6.002 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -22.063 4.833 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -21.744 5.800 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.753 5.646 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -19.668 5.400 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.496 4.174 1.526 1.00 0.00 H new ATOM 350 N GLY A 33 -22.207 1.057 0.645 1.00 0.00 N ATOM 351 CA GLY A 33 -23.265 0.169 0.115 1.00 0.00 C ATOM 352 C GLY A 33 -24.060 -0.577 1.202 1.00 0.00 C ATOM 353 O GLY A 33 -25.122 -1.117 0.917 1.00 0.00 O ATOM 0 H GLY A 33 -21.440 0.548 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.956 0.762 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.810 -0.562 -0.554 1.00 0.00 H new ATOM 355 N GLU A 34 -23.537 -0.556 2.440 1.00 0.00 N ATOM 356 CA GLU A 34 -24.110 -1.221 3.627 1.00 0.00 C ATOM 357 C GLU A 34 -23.319 -0.835 4.892 1.00 0.00 C ATOM 358 O GLU A 34 -22.334 -1.466 5.267 1.00 0.00 O ATOM 359 CB GLU A 34 -24.143 -2.748 3.423 1.00 0.00 C ATOM 360 CG GLU A 34 -24.845 -3.491 4.574 1.00 0.00 C ATOM 361 CD GLU A 34 -25.192 -4.927 4.204 1.00 0.00 C ATOM 362 OE1 GLU A 34 -24.372 -5.742 3.778 1.00 0.00 O ATOM 363 OE2 GLU A 34 -26.475 -5.294 4.414 1.00 0.00 O ATOM 0 H GLU A 34 -22.672 -0.058 2.651 1.00 0.00 H new ATOM 0 HA GLU A 34 -25.137 -0.882 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -24.654 -2.973 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -23.123 -3.119 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -24.200 -3.490 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -25.756 -2.958 4.847 1.00 0.00 H new ATOM 366 N ARG A 35 -23.747 0.273 5.483 1.00 0.00 N ATOM 367 CA ARG A 35 -23.181 0.768 6.760 1.00 0.00 C ATOM 368 C ARG A 35 -24.160 0.724 7.944 1.00 0.00 C ATOM 369 O ARG A 35 -23.816 0.046 8.936 1.00 0.00 O ATOM 370 CB ARG A 35 -22.522 2.153 6.608 1.00 0.00 C ATOM 371 CG ARG A 35 -23.381 3.233 5.948 1.00 0.00 C ATOM 372 CD ARG A 35 -22.537 4.483 5.673 1.00 0.00 C ATOM 373 NE ARG A 35 -22.845 4.921 4.301 1.00 0.00 N ATOM 374 CZ ARG A 35 -22.963 6.175 3.863 1.00 0.00 C ATOM 375 NH1 ARG A 35 -22.347 7.198 4.427 1.00 0.00 N ATOM 376 NH2 ARG A 35 -24.044 6.468 3.152 1.00 0.00 N ATOM 377 OXT ARG A 35 -25.280 1.266 7.787 1.00 0.00 O ATOM 0 H ARG A 35 -24.490 0.860 5.105 1.00 0.00 H new ATOM 0 HA ARG A 35 -22.395 0.056 7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.228 2.504 7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -21.608 2.037 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.800 2.855 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -24.221 3.487 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.770 5.270 6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -21.475 4.261 5.777 1.00 0.00 H new ATOM 0 HE ARG A 35 -22.983 4.184 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.747 7.048 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -22.472 8.138 4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.740 5.747 2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.179 7.414 2.795 1.00 0.00 H new TER 384 ARG A 35