USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=9 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+ -136:sc= -0.0194 (180deg=-1.75!) USER MOD Single : A 2 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.019) USER MOD Single : A 4 MET CE :methyl 177:sc= -2.79! (180deg=-3.13!) USER MOD Single : A 5 LYS NZ :NH3+ -154:sc= -0.0228 (180deg=-0.377) USER MOD Single : A 6 GLN :FLIP amide:sc= -1.63 F(o=-2.5!,f=-1.6) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 160:sc= -0.011 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.17 F(o=-2,f=-1.2) USER MOD Single : A 23 ASN : amide:sc=-0.00115 X(o=-0.0012,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00486) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.296 4.650 -9.578 1.00 0.00 N ATOM 2 CA LEU A 1 13.736 4.284 -9.589 1.00 0.00 C ATOM 3 C LEU A 1 14.394 4.350 -8.199 1.00 0.00 C ATOM 4 O LEU A 1 13.721 4.589 -7.190 1.00 0.00 O ATOM 5 CB LEU A 1 14.504 5.145 -10.608 1.00 0.00 C ATOM 6 CG LEU A 1 14.756 4.457 -11.963 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.482 3.119 -11.832 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.468 4.349 -12.797 1.00 0.00 C ATOM 0 H1 LEU A 1 11.762 3.976 -10.162 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.938 4.622 -8.602 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.179 5.609 -9.962 1.00 0.00 H new ATOM 0 HA LEU A 1 13.789 3.239 -9.895 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.947 6.066 -10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 1 15.463 5.429 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 1 15.439 5.105 -12.512 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.629 2.686 -12.822 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.451 3.276 -11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 1 14.885 2.439 -11.224 1.00 0.00 H new ATOM 0 HD21 LEU A 1 13.688 3.858 -13.745 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.728 3.765 -12.250 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.074 5.347 -12.988 1.00 0.00 H new ATOM 12 N GLN A 2 15.695 4.030 -8.169 1.00 0.00 N ATOM 13 CA GLN A 2 16.532 4.007 -6.948 1.00 0.00 C ATOM 14 C GLN A 2 16.061 2.946 -5.933 1.00 0.00 C ATOM 15 O GLN A 2 15.175 3.163 -5.121 1.00 0.00 O ATOM 16 CB GLN A 2 16.591 5.385 -6.272 1.00 0.00 C ATOM 17 CG GLN A 2 17.464 6.415 -7.013 1.00 0.00 C ATOM 18 CD GLN A 2 17.668 7.647 -6.132 1.00 0.00 C ATOM 19 OE1 GLN A 2 16.766 8.198 -5.503 1.00 0.00 O ATOM 20 NE2 GLN A 2 18.901 8.083 -6.008 1.00 0.00 N ATOM 0 H GLN A 2 16.213 3.773 -9.010 1.00 0.00 H new ATOM 0 HA GLN A 2 17.535 3.736 -7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.578 5.779 -6.186 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.973 5.264 -5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 2 18.428 5.974 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.988 6.702 -7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 2 19.656 7.633 -6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 2 19.104 8.872 -5.394 1.00 0.00 H new ATOM 24 N ARG A 3 16.739 1.806 -6.025 1.00 0.00 N ATOM 25 CA ARG A 3 16.410 0.583 -5.239 1.00 0.00 C ATOM 26 C ARG A 3 17.410 -0.582 -5.390 1.00 0.00 C ATOM 27 O ARG A 3 17.132 -1.615 -6.002 1.00 0.00 O ATOM 28 CB ARG A 3 14.964 0.093 -5.473 1.00 0.00 C ATOM 29 CG ARG A 3 14.505 -0.135 -6.911 1.00 0.00 C ATOM 30 CD ARG A 3 13.608 1.047 -7.284 1.00 0.00 C ATOM 31 NE ARG A 3 12.557 0.586 -8.196 1.00 0.00 N ATOM 32 CZ ARG A 3 11.441 1.267 -8.483 1.00 0.00 C ATOM 33 NH1 ARG A 3 11.084 2.360 -7.816 1.00 0.00 N ATOM 34 NH2 ARG A 3 10.610 0.768 -9.377 1.00 0.00 N ATOM 0 H ARG A 3 17.540 1.686 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 3 16.499 0.918 -4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.838 -0.844 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.289 0.818 -5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.360 -0.198 -7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.961 -1.075 -6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.164 1.479 -6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.198 1.832 -7.757 1.00 0.00 H new ATOM 0 HE ARG A 3 12.686 -0.321 -8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.668 2.707 -7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.226 2.852 -8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.824 -0.119 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.753 1.269 -9.612 1.00 0.00 H new ATOM 41 N MET A 4 18.544 -0.408 -4.729 1.00 0.00 N ATOM 42 CA MET A 4 19.603 -1.448 -4.740 1.00 0.00 C ATOM 43 C MET A 4 19.551 -2.418 -3.552 1.00 0.00 C ATOM 44 O MET A 4 19.822 -3.599 -3.749 1.00 0.00 O ATOM 45 CB MET A 4 21.007 -0.838 -4.882 1.00 0.00 C ATOM 46 CG MET A 4 21.377 0.127 -3.752 1.00 0.00 C ATOM 47 SD MET A 4 21.846 1.803 -4.317 1.00 0.00 S ATOM 48 CE MET A 4 20.412 2.307 -5.234 1.00 0.00 C ATOM 0 H MET A 4 18.768 0.423 -4.182 1.00 0.00 H new ATOM 0 HA MET A 4 19.390 -2.046 -5.626 1.00 0.00 H new ATOM 0 HB2 MET A 4 21.741 -1.643 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 4 21.069 -0.310 -5.834 1.00 0.00 H new ATOM 0 HG2 MET A 4 20.531 0.210 -3.069 1.00 0.00 H new ATOM 0 HG3 MET A 4 22.205 -0.297 -3.184 1.00 0.00 H new ATOM 0 HE1 MET A 4 20.546 3.330 -5.586 1.00 0.00 H new ATOM 0 HE2 MET A 4 20.275 1.644 -6.088 1.00 0.00 H new ATOM 0 HE3 MET A 4 19.533 2.257 -4.591 1.00 0.00 H new ATOM 50 N LYS A 5 19.050 -1.903 -2.429 1.00 0.00 N ATOM 51 CA LYS A 5 18.997 -2.491 -1.065 1.00 0.00 C ATOM 52 C LYS A 5 18.605 -1.478 0.032 1.00 0.00 C ATOM 53 O LYS A 5 17.867 -1.801 0.949 1.00 0.00 O ATOM 54 CB LYS A 5 20.242 -3.273 -0.653 1.00 0.00 C ATOM 55 CG LYS A 5 20.069 -4.760 -0.982 1.00 0.00 C ATOM 56 CD LYS A 5 21.343 -5.316 -1.630 1.00 0.00 C ATOM 57 CE LYS A 5 21.960 -6.455 -0.808 1.00 0.00 C ATOM 58 NZ LYS A 5 22.312 -5.947 0.523 1.00 0.00 N ATOM 0 H LYS A 5 18.627 -0.975 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 5 18.191 -3.220 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.116 -2.878 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.421 -3.148 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.844 -5.316 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.223 -4.894 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.111 -5.677 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.072 -4.514 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.255 -7.282 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.846 -6.844 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 23.088 -6.516 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 22.614 -4.955 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 21.484 -6.009 1.149 1.00 0.00 H new ATOM 63 N GLN A 6 18.966 -0.216 -0.197 1.00 0.00 N ATOM 64 CA GLN A 6 18.702 0.889 0.767 1.00 0.00 C ATOM 65 C GLN A 6 17.483 1.724 0.355 1.00 0.00 C ATOM 66 O GLN A 6 16.463 1.734 1.041 1.00 0.00 O ATOM 67 CB GLN A 6 19.957 1.761 0.914 1.00 0.00 C ATOM 68 CG GLN A 6 21.071 1.117 1.740 1.00 0.00 C ATOM 69 CD GLN A 6 21.482 -0.280 1.245 1.00 0.00 C ATOM 70 OE1 GLN A 6 21.108 -1.286 2.008 1.00 0.00 O flip ATOM 71 NE2 GLN A 6 21.893 -0.487 0.116 1.00 0.00 N flip ATOM 0 H GLN A 6 19.447 0.084 -1.045 1.00 0.00 H new ATOM 0 HA GLN A 6 18.466 0.451 1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 6 20.343 1.993 -0.078 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.677 2.707 1.377 1.00 0.00 H new ATOM 0 HG2 GLN A 6 21.944 1.769 1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 6 20.745 1.043 2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 6 22.182 0.294 -0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.948 -1.441 -0.240 1.00 0.00 H new ATOM 75 N LEU A 7 17.546 2.199 -0.878 1.00 0.00 N ATOM 76 CA LEU A 7 16.432 2.956 -1.494 1.00 0.00 C ATOM 77 C LEU A 7 15.190 2.059 -1.761 1.00 0.00 C ATOM 78 O LEU A 7 14.063 2.508 -1.567 1.00 0.00 O ATOM 79 CB LEU A 7 16.985 3.680 -2.721 1.00 0.00 C ATOM 80 CG LEU A 7 18.260 4.492 -2.397 1.00 0.00 C ATOM 81 CD1 LEU A 7 18.927 5.009 -3.671 1.00 0.00 C ATOM 82 CD2 LEU A 7 17.968 5.701 -1.501 1.00 0.00 C ATOM 0 H LEU A 7 18.355 2.081 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 7 16.045 3.710 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.209 2.951 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.222 4.349 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 7 18.922 3.803 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.821 5.576 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.204 4.166 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.233 5.654 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.895 6.239 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.264 6.365 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.537 5.360 -0.560 1.00 0.00 H new ATOM 84 N GLU A 8 15.423 0.744 -1.845 1.00 0.00 N ATOM 85 CA GLU A 8 14.350 -0.275 -1.937 1.00 0.00 C ATOM 86 C GLU A 8 13.492 -0.403 -0.664 1.00 0.00 C ATOM 87 O GLU A 8 12.317 -0.724 -0.747 1.00 0.00 O ATOM 88 CB GLU A 8 14.842 -1.668 -2.365 1.00 0.00 C ATOM 89 CG GLU A 8 15.424 -2.547 -1.256 1.00 0.00 C ATOM 90 CD GLU A 8 15.895 -3.924 -1.735 1.00 0.00 C ATOM 91 OE1 GLU A 8 16.163 -4.813 -0.941 1.00 0.00 O ATOM 92 OE2 GLU A 8 16.171 -4.066 -3.047 1.00 0.00 O ATOM 0 H GLU A 8 16.362 0.347 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 8 13.716 0.118 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.008 -2.200 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.602 -1.541 -3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.264 -2.026 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.670 -2.682 -0.480 1.00 0.00 H new ATOM 95 N ASP A 9 14.116 -0.161 0.491 1.00 0.00 N ATOM 96 CA ASP A 9 13.400 -0.126 1.783 1.00 0.00 C ATOM 97 C ASP A 9 12.221 0.874 1.746 1.00 0.00 C ATOM 98 O ASP A 9 11.093 0.518 2.057 1.00 0.00 O ATOM 99 CB ASP A 9 14.344 0.215 2.919 1.00 0.00 C ATOM 100 CG ASP A 9 14.799 -1.036 3.694 1.00 0.00 C ATOM 101 OD1 ASP A 9 14.068 -2.000 3.852 1.00 0.00 O ATOM 102 OD2 ASP A 9 16.016 -0.981 4.265 1.00 0.00 O ATOM 0 H ASP A 9 15.118 0.015 0.565 1.00 0.00 H new ATOM 0 HA ASP A 9 12.995 -1.123 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.218 0.731 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.851 0.905 3.604 1.00 0.00 H new ATOM 105 N LYS A 10 12.481 1.948 1.016 1.00 0.00 N ATOM 106 CA LYS A 10 11.543 3.073 0.830 1.00 0.00 C ATOM 107 C LYS A 10 10.410 2.718 -0.166 1.00 0.00 C ATOM 108 O LYS A 10 9.316 3.242 -0.064 1.00 0.00 O ATOM 109 CB LYS A 10 12.301 4.335 0.387 1.00 0.00 C ATOM 110 CG LYS A 10 13.623 4.629 1.126 1.00 0.00 C ATOM 111 CD LYS A 10 13.512 4.410 2.641 1.00 0.00 C ATOM 112 CE LYS A 10 14.766 4.775 3.441 1.00 0.00 C ATOM 113 NZ LYS A 10 14.545 4.292 4.809 1.00 0.00 N ATOM 0 H LYS A 10 13.364 2.076 0.522 1.00 0.00 H new ATOM 0 HA LYS A 10 11.069 3.276 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.515 4.250 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.640 5.193 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.409 3.988 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.922 5.659 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.675 4.998 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.274 3.362 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.652 4.313 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.931 5.852 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.374 4.517 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.703 4.754 5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.401 3.262 4.795 1.00 0.00 H new ATOM 118 N VAL A 11 10.656 1.677 -0.950 1.00 0.00 N ATOM 119 CA VAL A 11 9.714 1.118 -1.962 1.00 0.00 C ATOM 120 C VAL A 11 8.840 0.007 -1.306 1.00 0.00 C ATOM 121 O VAL A 11 7.636 -0.014 -1.513 1.00 0.00 O ATOM 122 CB VAL A 11 10.461 0.587 -3.191 1.00 0.00 C ATOM 123 CG1 VAL A 11 9.497 0.208 -4.317 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.488 1.584 -3.751 1.00 0.00 C ATOM 0 H VAL A 11 11.539 1.169 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 11 9.061 1.918 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 11 10.992 -0.297 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.063 -0.164 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.816 -0.568 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.924 1.086 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.982 1.148 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.980 2.502 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.231 1.809 -2.986 1.00 0.00 H new ATOM 126 N GLU A 12 9.449 -0.836 -0.479 1.00 0.00 N ATOM 127 CA GLU A 12 8.727 -1.858 0.303 1.00 0.00 C ATOM 128 C GLU A 12 7.706 -1.219 1.282 1.00 0.00 C ATOM 129 O GLU A 12 6.570 -1.667 1.336 1.00 0.00 O ATOM 130 CB GLU A 12 9.720 -2.779 1.008 1.00 0.00 C ATOM 131 CG GLU A 12 9.094 -4.059 1.581 1.00 0.00 C ATOM 132 CD GLU A 12 8.528 -3.945 3.016 1.00 0.00 C ATOM 133 OE1 GLU A 12 8.064 -4.913 3.594 1.00 0.00 O ATOM 134 OE2 GLU A 12 8.621 -2.767 3.655 1.00 0.00 O ATOM 0 H GLU A 12 10.457 -0.838 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 12 8.140 -2.469 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.505 -3.055 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.198 -2.228 1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.290 -4.377 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.847 -4.847 1.569 1.00 0.00 H new ATOM 137 N GLU A 13 8.096 -0.075 1.854 1.00 0.00 N ATOM 138 CA GLU A 13 7.206 0.783 2.672 1.00 0.00 C ATOM 139 C GLU A 13 5.990 1.314 1.885 1.00 0.00 C ATOM 140 O GLU A 13 4.952 1.624 2.460 1.00 0.00 O ATOM 141 CB GLU A 13 8.009 1.926 3.313 1.00 0.00 C ATOM 142 CG GLU A 13 7.116 2.838 4.165 1.00 0.00 C ATOM 143 CD GLU A 13 7.836 3.758 5.156 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.863 4.369 4.888 1.00 0.00 O ATOM 145 OE2 GLU A 13 7.238 3.869 6.363 1.00 0.00 O ATOM 0 H GLU A 13 9.044 0.292 1.767 1.00 0.00 H new ATOM 0 HA GLU A 13 6.795 0.158 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.802 1.510 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.491 2.515 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.520 3.457 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.420 2.211 4.723 1.00 0.00 H new ATOM 148 N LEU A 14 6.154 1.434 0.572 1.00 0.00 N ATOM 149 CA LEU A 14 5.039 1.872 -0.299 1.00 0.00 C ATOM 150 C LEU A 14 4.039 0.713 -0.425 1.00 0.00 C ATOM 151 O LEU A 14 3.044 0.776 0.260 1.00 0.00 O ATOM 152 CB LEU A 14 5.473 2.372 -1.674 1.00 0.00 C ATOM 153 CG LEU A 14 6.547 3.471 -1.590 1.00 0.00 C ATOM 154 CD1 LEU A 14 6.875 3.945 -3.002 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.175 4.656 -0.692 1.00 0.00 C ATOM 0 H LEU A 14 7.028 1.241 0.082 1.00 0.00 H new ATOM 0 HA LEU A 14 4.576 2.738 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.859 1.535 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.604 2.758 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 14 7.421 3.026 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.635 4.725 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.249 3.107 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.975 4.343 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.988 5.382 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.268 5.128 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.004 4.302 0.325 1.00 0.00 H new ATOM 157 N LEU A 15 4.475 -0.382 -1.016 1.00 0.00 N ATOM 158 CA LEU A 15 3.622 -1.576 -1.244 1.00 0.00 C ATOM 159 C LEU A 15 2.923 -2.065 0.044 1.00 0.00 C ATOM 160 O LEU A 15 1.706 -2.055 0.066 1.00 0.00 O ATOM 161 CB LEU A 15 4.367 -2.743 -1.889 1.00 0.00 C ATOM 162 CG LEU A 15 5.320 -2.333 -3.016 1.00 0.00 C ATOM 163 CD1 LEU A 15 5.905 -3.590 -3.647 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.673 -1.465 -4.114 1.00 0.00 C ATOM 0 H LEU A 15 5.430 -0.489 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 15 2.863 -1.232 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.935 -3.266 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.638 -3.451 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 15 6.090 -1.712 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.586 -3.310 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.449 -4.157 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.099 -4.203 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.418 -1.221 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.853 -2.015 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.290 -0.545 -3.672 1.00 0.00 H new ATOM 166 N SER A 16 3.652 -2.172 1.146 1.00 0.00 N ATOM 167 CA SER A 16 3.070 -2.517 2.474 1.00 0.00 C ATOM 168 C SER A 16 1.779 -1.743 2.831 1.00 0.00 C ATOM 169 O SER A 16 0.857 -2.305 3.408 1.00 0.00 O ATOM 170 CB SER A 16 4.098 -2.272 3.582 1.00 0.00 C ATOM 171 OG SER A 16 4.491 -0.912 3.509 1.00 0.00 O ATOM 0 H SER A 16 4.661 -2.026 1.165 1.00 0.00 H new ATOM 0 HA SER A 16 2.801 -3.571 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.669 -2.495 4.559 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.960 -2.927 3.456 1.00 0.00 H new ATOM 0 HG SER A 16 4.883 -0.638 4.365 1.00 0.00 H new ATOM 174 N LYS A 17 1.727 -0.493 2.360 1.00 0.00 N ATOM 175 CA LYS A 17 0.556 0.399 2.410 1.00 0.00 C ATOM 176 C LYS A 17 -0.211 0.556 1.078 1.00 0.00 C ATOM 177 O LYS A 17 -1.355 0.160 0.997 1.00 0.00 O ATOM 178 CB LYS A 17 0.955 1.749 3.004 1.00 0.00 C ATOM 179 CG LYS A 17 1.196 1.490 4.489 1.00 0.00 C ATOM 180 CD LYS A 17 2.298 2.337 5.102 1.00 0.00 C ATOM 181 CE LYS A 17 2.944 1.471 6.177 1.00 0.00 C ATOM 182 NZ LYS A 17 3.644 2.335 7.132 1.00 0.00 N ATOM 0 H LYS A 17 2.532 -0.053 1.914 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.166 -0.090 3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.852 2.139 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.168 2.489 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.269 1.673 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.444 0.438 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.028 2.633 4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.893 3.254 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.185 0.880 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.643 0.768 5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.087 1.750 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.377 2.880 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.965 2.989 7.571 1.00 0.00 H new ATOM 187 N ASN A 18 0.461 0.950 0.010 1.00 0.00 N ATOM 188 CA ASN A 18 -0.117 1.119 -1.346 1.00 0.00 C ATOM 189 C ASN A 18 -0.891 -0.148 -1.849 1.00 0.00 C ATOM 190 O ASN A 18 -1.964 -0.024 -2.428 1.00 0.00 O ATOM 191 CB ASN A 18 0.994 1.487 -2.322 1.00 0.00 C ATOM 192 CG ASN A 18 0.501 2.305 -3.519 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.563 1.894 -4.156 1.00 0.00 O flip ATOM 194 ND2 ASN A 18 1.034 3.362 -3.849 1.00 0.00 N flip ATOM 0 H ASN A 18 1.456 1.172 0.046 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.853 1.921 -1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.760 2.055 -1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.467 0.574 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.865 3.690 -3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.645 3.912 -4.615 1.00 0.00 H new ATOM 198 N TYR A 19 -0.358 -1.306 -1.529 1.00 0.00 N ATOM 199 CA TYR A 19 -0.963 -2.630 -1.841 1.00 0.00 C ATOM 200 C TYR A 19 -2.198 -2.895 -0.941 1.00 0.00 C ATOM 201 O TYR A 19 -3.222 -3.316 -1.451 1.00 0.00 O ATOM 202 CB TYR A 19 0.083 -3.721 -1.612 1.00 0.00 C ATOM 203 CG TYR A 19 -0.005 -5.001 -2.443 1.00 0.00 C ATOM 204 CD1 TYR A 19 -1.157 -5.320 -3.194 1.00 0.00 C ATOM 205 CD2 TYR A 19 1.147 -5.831 -2.445 1.00 0.00 C ATOM 206 CE1 TYR A 19 -1.157 -6.491 -3.973 1.00 0.00 C ATOM 207 CE2 TYR A 19 1.137 -7.004 -3.215 1.00 0.00 C ATOM 208 CZ TYR A 19 -0.015 -7.318 -3.975 1.00 0.00 C ATOM 209 OH TYR A 19 -0.039 -8.437 -4.724 1.00 0.00 O ATOM 0 H TYR A 19 0.530 -1.381 -1.032 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.289 -2.635 -2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.065 -3.280 -1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.041 -4.005 -0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.024 -4.676 -3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.017 -5.564 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.022 -6.754 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.996 -7.658 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 19 0.814 -8.911 -4.632 1.00 0.00 H new ATOM 212 N HIS A 20 -2.106 -2.512 0.338 1.00 0.00 N ATOM 213 CA HIS A 20 -3.288 -2.592 1.249 1.00 0.00 C ATOM 214 C HIS A 20 -4.301 -1.459 1.014 1.00 0.00 C ATOM 215 O HIS A 20 -5.446 -1.543 1.432 1.00 0.00 O ATOM 216 CB HIS A 20 -2.894 -2.751 2.727 1.00 0.00 C ATOM 217 CG HIS A 20 -2.463 -1.523 3.589 1.00 0.00 C ATOM 218 ND1 HIS A 20 -2.906 -0.265 3.490 1.00 0.00 N flip ATOM 219 CD2 HIS A 20 -1.735 -1.590 4.668 1.00 0.00 C flip ATOM 220 CE1 HIS A 20 -2.394 0.440 4.485 1.00 0.00 C flip ATOM 221 NE2 HIS A 20 -1.696 -0.400 5.262 1.00 0.00 N flip ATOM 0 H HIS A 20 -1.256 -2.151 0.771 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.808 -3.512 0.983 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.741 -3.213 3.234 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.073 -3.467 2.762 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.238 -2.479 5.027 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.516 1.501 4.643 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.226 -0.171 6.138 1.00 0.00 H new ATOM 225 N LEU A 21 -3.873 -0.445 0.250 1.00 0.00 N ATOM 226 CA LEU A 21 -4.626 0.782 -0.059 1.00 0.00 C ATOM 227 C LEU A 21 -5.700 0.509 -1.117 1.00 0.00 C ATOM 228 O LEU A 21 -6.869 0.621 -0.781 1.00 0.00 O ATOM 229 CB LEU A 21 -3.658 1.896 -0.481 1.00 0.00 C ATOM 230 CG LEU A 21 -4.352 3.168 -0.969 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.928 3.991 0.196 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.391 3.991 -1.819 1.00 0.00 C ATOM 0 H LEU A 21 -2.953 -0.456 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.148 1.120 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.016 2.145 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.010 1.520 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.200 2.878 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.412 4.886 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.658 3.391 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.122 4.280 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.893 4.895 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.520 4.263 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.072 3.403 -2.680 1.00 0.00 H new ATOM 234 N GLU A 22 -5.289 -0.020 -2.267 1.00 0.00 N ATOM 235 CA GLU A 22 -6.251 -0.453 -3.309 1.00 0.00 C ATOM 236 C GLU A 22 -7.306 -1.467 -2.785 1.00 0.00 C ATOM 237 O GLU A 22 -8.445 -1.464 -3.255 1.00 0.00 O ATOM 238 CB GLU A 22 -5.557 -1.025 -4.544 1.00 0.00 C ATOM 239 CG GLU A 22 -5.126 0.069 -5.530 1.00 0.00 C ATOM 240 CD GLU A 22 -3.677 0.503 -5.307 1.00 0.00 C ATOM 241 OE1 GLU A 22 -3.374 1.433 -4.568 1.00 0.00 O ATOM 242 OE2 GLU A 22 -2.742 -0.214 -5.965 1.00 0.00 O ATOM 0 H GLU A 22 -4.309 -0.163 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.777 0.458 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.682 -1.597 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.230 -1.720 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.242 -0.296 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.783 0.932 -5.424 1.00 0.00 H new ATOM 245 N ASN A 23 -6.925 -2.187 -1.736 1.00 0.00 N ATOM 246 CA ASN A 23 -7.824 -3.114 -1.028 1.00 0.00 C ATOM 247 C ASN A 23 -8.721 -2.384 -0.007 1.00 0.00 C ATOM 248 O ASN A 23 -9.942 -2.557 -0.026 1.00 0.00 O ATOM 249 CB ASN A 23 -6.988 -4.205 -0.358 1.00 0.00 C ATOM 250 CG ASN A 23 -7.822 -5.470 -0.159 1.00 0.00 C ATOM 251 OD1 ASN A 23 -7.767 -6.419 -0.926 1.00 0.00 O ATOM 252 ND2 ASN A 23 -8.654 -5.500 0.872 1.00 0.00 N ATOM 0 H ASN A 23 -5.983 -2.150 -1.345 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.498 -3.570 -1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.115 -4.430 -0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.619 -3.850 0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.248 -6.315 1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.701 -4.708 1.513 1.00 0.00 H new ATOM 256 N GLU A 24 -8.135 -1.563 0.866 1.00 0.00 N ATOM 257 CA GLU A 24 -8.895 -0.783 1.870 1.00 0.00 C ATOM 258 C GLU A 24 -9.884 0.202 1.217 1.00 0.00 C ATOM 259 O GLU A 24 -11.059 0.154 1.537 1.00 0.00 O ATOM 260 CB GLU A 24 -8.002 -0.082 2.918 1.00 0.00 C ATOM 261 CG GLU A 24 -7.274 1.166 2.417 1.00 0.00 C ATOM 262 CD GLU A 24 -6.491 1.917 3.485 1.00 0.00 C ATOM 263 OE1 GLU A 24 -5.289 2.088 3.421 1.00 0.00 O ATOM 264 OE2 GLU A 24 -7.229 2.535 4.440 1.00 0.00 O ATOM 0 H GLU A 24 -7.127 -1.414 0.905 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.480 -1.520 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.620 0.195 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.261 -0.796 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.589 0.875 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.005 1.844 1.977 1.00 0.00 H new ATOM 267 N VAL A 25 -9.415 0.932 0.198 1.00 0.00 N ATOM 268 CA VAL A 25 -10.209 1.857 -0.640 1.00 0.00 C ATOM 269 C VAL A 25 -11.469 1.167 -1.182 1.00 0.00 C ATOM 270 O VAL A 25 -12.525 1.775 -1.155 1.00 0.00 O ATOM 271 CB VAL A 25 -9.357 2.498 -1.764 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.160 3.363 -2.735 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.289 3.406 -1.151 1.00 0.00 C ATOM 0 H VAL A 25 -8.435 0.898 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.540 2.678 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.933 1.659 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.493 3.776 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.924 2.754 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.636 4.177 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.693 3.854 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.770 4.193 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.642 2.818 -0.499 1.00 0.00 H new ATOM 275 N ALA A 26 -11.356 -0.131 -1.477 1.00 0.00 N ATOM 276 CA ALA A 26 -12.499 -0.972 -1.866 1.00 0.00 C ATOM 277 C ALA A 26 -13.552 -1.039 -0.736 1.00 0.00 C ATOM 278 O ALA A 26 -14.511 -0.283 -0.798 1.00 0.00 O ATOM 279 CB ALA A 26 -12.038 -2.347 -2.344 1.00 0.00 C ATOM 0 H ALA A 26 -10.468 -0.633 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.995 -0.507 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.906 -2.945 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.383 -2.231 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.496 -2.848 -1.542 1.00 0.00 H new ATOM 281 N ARG A 27 -13.216 -1.686 0.377 1.00 0.00 N ATOM 282 CA ARG A 27 -14.079 -1.732 1.583 1.00 0.00 C ATOM 283 C ARG A 27 -14.574 -0.333 2.062 1.00 0.00 C ATOM 284 O ARG A 27 -15.738 -0.159 2.377 1.00 0.00 O ATOM 285 CB ARG A 27 -13.359 -2.528 2.684 1.00 0.00 C ATOM 286 CG ARG A 27 -14.038 -2.498 4.058 1.00 0.00 C ATOM 287 CD ARG A 27 -15.495 -2.990 4.046 1.00 0.00 C ATOM 288 NE ARG A 27 -15.594 -4.459 3.899 1.00 0.00 N ATOM 289 CZ ARG A 27 -15.288 -5.340 4.853 1.00 0.00 C ATOM 290 NH1 ARG A 27 -15.038 -4.940 6.098 1.00 0.00 N ATOM 291 NH2 ARG A 27 -14.985 -6.584 4.525 1.00 0.00 N ATOM 0 H ARG A 27 -12.340 -2.198 0.481 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.001 -2.249 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -13.271 -3.566 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.346 -2.140 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.463 -3.114 4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -14.013 -1.478 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -15.986 -2.686 4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -16.031 -2.509 3.228 1.00 0.00 H new ATOM 0 HE ARG A 27 -15.920 -4.824 3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.079 -3.948 6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.805 -5.625 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -14.986 -6.868 3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.751 -7.260 5.252 1.00 0.00 H new ATOM 298 N LEU A 28 -13.687 0.645 1.972 1.00 0.00 N ATOM 299 CA LEU A 28 -13.964 2.067 2.259 1.00 0.00 C ATOM 300 C LEU A 28 -15.057 2.640 1.320 1.00 0.00 C ATOM 301 O LEU A 28 -16.166 2.890 1.758 1.00 0.00 O ATOM 302 CB LEU A 28 -12.616 2.791 2.181 1.00 0.00 C ATOM 303 CG LEU A 28 -12.682 4.307 1.979 1.00 0.00 C ATOM 304 CD1 LEU A 28 -13.166 5.013 3.256 1.00 0.00 C ATOM 305 CD2 LEU A 28 -11.329 4.863 1.563 1.00 0.00 C ATOM 0 H LEU A 28 -12.721 0.479 1.690 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.388 2.208 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.064 2.590 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.041 2.359 1.362 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.398 4.499 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.204 6.089 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.161 4.652 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.477 4.799 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.405 5.942 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.593 4.646 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.018 4.400 0.627 1.00 0.00 H new ATOM 307 N LYS A 29 -14.768 2.717 0.026 1.00 0.00 N ATOM 308 CA LYS A 29 -15.727 3.260 -0.956 1.00 0.00 C ATOM 309 C LYS A 29 -17.002 2.391 -1.115 1.00 0.00 C ATOM 310 O LYS A 29 -18.065 2.905 -1.440 1.00 0.00 O ATOM 311 CB LYS A 29 -15.020 3.669 -2.258 1.00 0.00 C ATOM 312 CG LYS A 29 -15.298 2.854 -3.536 1.00 0.00 C ATOM 313 CD LYS A 29 -14.790 1.417 -3.424 1.00 0.00 C ATOM 314 CE LYS A 29 -14.760 0.632 -4.741 1.00 0.00 C ATOM 315 NZ LYS A 29 -16.104 0.373 -5.271 1.00 0.00 N ATOM 0 H LYS A 29 -13.881 2.413 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.131 4.190 -0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.281 4.707 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.946 3.641 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.370 2.845 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.822 3.341 -4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.783 1.436 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.419 0.880 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.183 1.189 -5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.246 -0.316 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.029 -0.160 -6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.649 -0.182 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.587 1.277 -5.448 1.00 0.00 H new ATOM 320 N LYS A 30 -16.897 1.131 -0.716 1.00 0.00 N ATOM 321 CA LYS A 30 -18.029 0.174 -0.623 1.00 0.00 C ATOM 322 C LYS A 30 -19.163 0.698 0.288 1.00 0.00 C ATOM 323 O LYS A 30 -20.333 0.547 -0.044 1.00 0.00 O ATOM 324 CB LYS A 30 -17.413 -1.168 -0.196 1.00 0.00 C ATOM 325 CG LYS A 30 -18.253 -2.245 0.483 1.00 0.00 C ATOM 326 CD LYS A 30 -18.485 -1.930 1.965 1.00 0.00 C ATOM 327 CE LYS A 30 -18.849 -3.148 2.821 1.00 0.00 C ATOM 328 NZ LYS A 30 -20.069 -3.795 2.344 1.00 0.00 N ATOM 0 H LYS A 30 -16.006 0.720 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.539 0.043 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.981 -1.618 -1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.586 -0.939 0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -19.213 -2.333 -0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.754 -3.209 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.584 -1.471 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -19.283 -1.192 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.027 -3.863 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.982 -2.838 3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -20.304 -4.594 2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -20.851 -3.109 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -19.922 -4.142 1.375 1.00 0.00 H new ATOM 333 N LEU A 31 -18.774 1.436 1.316 1.00 0.00 N ATOM 334 CA LEU A 31 -19.740 2.106 2.236 1.00 0.00 C ATOM 335 C LEU A 31 -19.892 3.622 2.003 1.00 0.00 C ATOM 336 O LEU A 31 -20.589 4.309 2.732 1.00 0.00 O ATOM 337 CB LEU A 31 -19.446 1.713 3.690 1.00 0.00 C ATOM 338 CG LEU A 31 -17.976 1.828 4.107 1.00 0.00 C ATOM 339 CD1 LEU A 31 -17.594 3.238 4.560 1.00 0.00 C ATOM 340 CD2 LEU A 31 -17.632 0.784 5.177 1.00 0.00 C ATOM 0 H LEU A 31 -17.795 1.599 1.553 1.00 0.00 H new ATOM 0 HA LEU A 31 -20.735 1.731 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -20.045 2.342 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -19.773 0.685 3.846 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.379 1.623 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.541 3.257 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.763 3.941 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -18.205 3.523 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.584 0.883 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -18.260 0.941 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -17.808 -0.216 4.780 1.00 0.00 H new ATOM 342 N VAL A 32 -19.369 4.066 0.860 1.00 0.00 N ATOM 343 CA VAL A 32 -19.470 5.477 0.378 1.00 0.00 C ATOM 344 C VAL A 32 -20.242 5.548 -0.973 1.00 0.00 C ATOM 345 O VAL A 32 -20.710 6.601 -1.376 1.00 0.00 O ATOM 346 CB VAL A 32 -18.064 6.115 0.287 1.00 0.00 C ATOM 347 CG1 VAL A 32 -18.109 7.605 -0.059 1.00 0.00 C ATOM 348 CG2 VAL A 32 -17.273 5.976 1.598 1.00 0.00 C ATOM 0 H VAL A 32 -18.853 3.461 0.221 1.00 0.00 H new ATOM 0 HA VAL A 32 -20.045 6.058 1.099 1.00 0.00 H new ATOM 0 HB VAL A 32 -17.569 5.565 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -17.093 7.998 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.598 7.740 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -18.668 8.140 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -16.293 6.440 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.815 6.470 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -17.149 4.920 1.838 1.00 0.00 H new ATOM 350 N GLY A 33 -20.444 4.386 -1.599 1.00 0.00 N ATOM 351 CA GLY A 33 -21.173 4.224 -2.878 1.00 0.00 C ATOM 352 C GLY A 33 -22.698 4.152 -2.661 1.00 0.00 C ATOM 353 O GLY A 33 -23.445 4.912 -3.268 1.00 0.00 O ATOM 0 H GLY A 33 -20.099 3.501 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.939 5.059 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.833 3.317 -3.378 1.00 0.00 H new ATOM 355 N GLU A 34 -23.090 3.344 -1.696 1.00 0.00 N ATOM 356 CA GLU A 34 -24.533 3.158 -1.366 1.00 0.00 C ATOM 357 C GLU A 34 -25.038 4.101 -0.251 1.00 0.00 C ATOM 358 O GLU A 34 -26.157 3.945 0.207 1.00 0.00 O ATOM 359 CB GLU A 34 -24.764 1.664 -1.057 1.00 0.00 C ATOM 360 CG GLU A 34 -24.349 1.170 0.334 1.00 0.00 C ATOM 361 CD GLU A 34 -25.565 1.069 1.277 1.00 0.00 C ATOM 362 OE1 GLU A 34 -25.551 1.478 2.424 1.00 0.00 O ATOM 363 OE2 GLU A 34 -26.651 0.422 0.787 1.00 0.00 O ATOM 0 H GLU A 34 -22.452 2.798 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 34 -25.136 3.445 -2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -25.825 1.450 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.225 1.077 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -23.870 0.195 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -23.612 1.851 0.759 1.00 0.00 H new ATOM 366 N ARG A 35 -24.261 5.172 -0.022 1.00 0.00 N ATOM 367 CA ARG A 35 -24.411 6.150 1.097 1.00 0.00 C ATOM 368 C ARG A 35 -23.290 7.211 1.137 1.00 0.00 C ATOM 369 O ARG A 35 -22.273 6.993 1.853 1.00 0.00 O ATOM 370 CB ARG A 35 -24.537 5.453 2.459 1.00 0.00 C ATOM 371 CG ARG A 35 -25.980 5.392 2.960 1.00 0.00 C ATOM 372 CD ARG A 35 -26.473 6.749 3.483 1.00 0.00 C ATOM 373 NE ARG A 35 -25.697 7.183 4.663 1.00 0.00 N ATOM 374 CZ ARG A 35 -25.784 6.695 5.909 1.00 0.00 C ATOM 375 NH1 ARG A 35 -26.425 5.567 6.197 1.00 0.00 N ATOM 376 NH2 ARG A 35 -25.447 7.474 6.922 1.00 0.00 N ATOM 377 OXT ARG A 35 -23.446 8.215 0.412 1.00 0.00 O ATOM 0 H ARG A 35 -23.475 5.400 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 35 -25.342 6.678 0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.140 4.441 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -23.925 5.981 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -26.630 5.059 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -26.055 4.650 3.755 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -26.389 7.497 2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -27.529 6.679 3.745 1.00 0.00 H new ATOM 0 HE ARG A 35 -25.023 7.934 4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -26.877 5.034 5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -26.465 5.235 7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -25.128 8.427 6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -25.506 7.122 7.878 1.00 0.00 H new TER 384 ARG A 35