USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=7 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+ -179:sc= -0.497 (180deg=-0.507) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -138:sc= -3.12 (180deg=-4.71!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00116) USER MOD Single : A 18 ASN : amide:sc= -0.452 X(o=-0.45,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 23 ASN : amide:sc= -2.76! C(o=-2.8!,f=-5.4!) USER MOD Single : A 29 LYS NZ :NH3+ -122:sc= -0.485 (180deg=-2.46!) USER MOD Single : A 30 LYS NZ :NH3+ -116:sc= -0.572 (180deg=-2.52) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 27.591 3.757 -4.606 1.00 0.00 N ATOM 2 CA LEU A 1 27.315 3.219 -3.251 1.00 0.00 C ATOM 3 C LEU A 1 26.139 2.206 -3.207 1.00 0.00 C ATOM 4 O LEU A 1 25.655 1.765 -4.249 1.00 0.00 O ATOM 5 CB LEU A 1 27.164 4.354 -2.236 1.00 0.00 C ATOM 6 CG LEU A 1 26.121 5.425 -2.611 1.00 0.00 C ATOM 7 CD1 LEU A 1 25.479 5.992 -1.349 1.00 0.00 C ATOM 8 CD2 LEU A 1 26.795 6.581 -3.364 1.00 0.00 C ATOM 0 H1 LEU A 1 28.397 4.412 -4.562 1.00 0.00 H new ATOM 0 H2 LEU A 1 27.817 2.973 -5.251 1.00 0.00 H new ATOM 0 H3 LEU A 1 26.753 4.263 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 1 28.186 2.631 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 1 26.893 3.925 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 1 28.132 4.839 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 1 25.365 4.958 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 1 24.743 6.748 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 1 24.987 5.190 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 1 26.247 6.444 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 1 26.048 7.331 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 1 27.558 7.033 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 1 27.259 6.201 -4.274 1.00 0.00 H new ATOM 12 N GLN A 2 25.760 1.787 -2.003 1.00 0.00 N ATOM 13 CA GLN A 2 24.670 0.797 -1.788 1.00 0.00 C ATOM 14 C GLN A 2 23.308 1.301 -2.314 1.00 0.00 C ATOM 15 O GLN A 2 22.572 2.038 -1.668 1.00 0.00 O ATOM 16 CB GLN A 2 24.619 0.422 -0.310 1.00 0.00 C ATOM 17 CG GLN A 2 24.027 -0.976 -0.126 1.00 0.00 C ATOM 18 CD GLN A 2 24.143 -1.433 1.331 1.00 0.00 C ATOM 19 OE1 GLN A 2 25.220 -1.581 1.894 1.00 0.00 O ATOM 20 NE2 GLN A 2 23.019 -1.737 1.947 1.00 0.00 N ATOM 0 H GLN A 2 26.190 2.115 -1.138 1.00 0.00 H new ATOM 0 HA GLN A 2 24.889 -0.099 -2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.623 0.456 0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 2 24.019 1.151 0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 2 22.980 -0.974 -0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.545 -1.682 -0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 2 22.126 -1.611 1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.042 -2.099 2.900 1.00 0.00 H new ATOM 24 N ARG A 3 23.032 0.864 -3.533 1.00 0.00 N ATOM 25 CA ARG A 3 21.807 1.211 -4.286 1.00 0.00 C ATOM 26 C ARG A 3 21.007 -0.026 -4.714 1.00 0.00 C ATOM 27 O ARG A 3 21.518 -1.131 -4.700 1.00 0.00 O ATOM 28 CB ARG A 3 22.162 2.077 -5.494 1.00 0.00 C ATOM 29 CG ARG A 3 22.239 3.533 -5.050 1.00 0.00 C ATOM 30 CD ARG A 3 23.478 4.217 -5.634 1.00 0.00 C ATOM 31 NE ARG A 3 23.228 4.839 -6.946 1.00 0.00 N ATOM 32 CZ ARG A 3 22.803 4.237 -8.053 1.00 0.00 C ATOM 33 NH1 ARG A 3 23.248 3.040 -8.407 1.00 0.00 N ATOM 34 NH2 ARG A 3 22.273 4.977 -9.021 1.00 0.00 N ATOM 0 H ARG A 3 23.657 0.245 -4.049 1.00 0.00 H new ATOM 0 HA ARG A 3 21.162 1.779 -3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 3 23.115 1.761 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.411 1.960 -6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 3 21.342 4.063 -5.369 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.269 3.584 -3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 3 23.828 4.979 -4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 3 24.279 3.484 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 3 23.400 5.842 -7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 3 23.933 2.558 -7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 3 22.905 2.601 -9.261 1.00 0.00 H new ATOM 0 HH21 ARG A 3 22.198 5.988 -8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 3 21.941 4.534 -9.878 1.00 0.00 H new ATOM 41 N MET A 4 19.699 0.221 -4.815 1.00 0.00 N ATOM 42 CA MET A 4 18.648 -0.819 -4.960 1.00 0.00 C ATOM 43 C MET A 4 18.576 -1.814 -3.789 1.00 0.00 C ATOM 44 O MET A 4 17.698 -2.677 -3.737 1.00 0.00 O ATOM 45 CB MET A 4 18.753 -1.560 -6.303 1.00 0.00 C ATOM 46 CG MET A 4 18.291 -0.756 -7.528 1.00 0.00 C ATOM 47 SD MET A 4 19.494 0.457 -8.193 1.00 0.00 S ATOM 48 CE MET A 4 18.883 1.977 -7.497 1.00 0.00 C ATOM 0 H MET A 4 19.320 1.168 -4.799 1.00 0.00 H new ATOM 0 HA MET A 4 17.709 -0.266 -4.941 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.790 -1.860 -6.455 1.00 0.00 H new ATOM 0 HB3 MET A 4 18.162 -2.474 -6.243 1.00 0.00 H new ATOM 0 HG2 MET A 4 18.035 -1.457 -8.322 1.00 0.00 H new ATOM 0 HG3 MET A 4 17.377 -0.224 -7.265 1.00 0.00 H new ATOM 0 HE1 MET A 4 18.923 2.764 -8.250 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.852 1.839 -7.171 1.00 0.00 H new ATOM 0 HE3 MET A 4 19.499 2.260 -6.643 1.00 0.00 H new ATOM 50 N LYS A 5 19.378 -1.529 -2.769 1.00 0.00 N ATOM 51 CA LYS A 5 19.494 -2.331 -1.521 1.00 0.00 C ATOM 52 C LYS A 5 19.050 -1.588 -0.252 1.00 0.00 C ATOM 53 O LYS A 5 18.614 -2.198 0.731 1.00 0.00 O ATOM 54 CB LYS A 5 20.923 -2.840 -1.409 1.00 0.00 C ATOM 55 CG LYS A 5 20.919 -4.348 -1.130 1.00 0.00 C ATOM 56 CD LYS A 5 20.648 -4.679 0.338 1.00 0.00 C ATOM 57 CE LYS A 5 20.084 -6.091 0.466 1.00 0.00 C ATOM 58 NZ LYS A 5 20.658 -6.743 1.645 1.00 0.00 N ATOM 0 H LYS A 5 19.990 -0.713 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 5 18.798 -3.167 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.465 -2.633 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.444 -2.315 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 5 20.161 -4.826 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.881 -4.769 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.570 -4.595 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.944 -3.959 0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.998 -6.054 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.314 -6.668 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.273 -7.705 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.692 -6.791 1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.417 -6.196 2.496 1.00 0.00 H new ATOM 63 N GLN A 6 19.092 -0.258 -0.315 1.00 0.00 N ATOM 64 CA GLN A 6 18.425 0.623 0.677 1.00 0.00 C ATOM 65 C GLN A 6 17.210 1.380 0.105 1.00 0.00 C ATOM 66 O GLN A 6 16.229 1.629 0.802 1.00 0.00 O ATOM 67 CB GLN A 6 19.427 1.604 1.269 1.00 0.00 C ATOM 68 CG GLN A 6 20.285 0.918 2.341 1.00 0.00 C ATOM 69 CD GLN A 6 21.383 1.814 2.912 1.00 0.00 C ATOM 70 OE1 GLN A 6 22.390 1.357 3.422 1.00 0.00 O ATOM 71 NE2 GLN A 6 21.221 3.134 2.884 1.00 0.00 N ATOM 0 H GLN A 6 19.585 0.251 -1.049 1.00 0.00 H new ATOM 0 HA GLN A 6 18.040 -0.030 1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 6 20.068 1.998 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 6 18.900 2.452 1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.639 0.586 3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 6 20.742 0.026 1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.384 3.536 2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.933 3.744 3.285 1.00 0.00 H new ATOM 75 N LEU A 7 17.219 1.621 -1.204 1.00 0.00 N ATOM 76 CA LEU A 7 16.123 2.351 -1.868 1.00 0.00 C ATOM 77 C LEU A 7 14.812 1.554 -1.834 1.00 0.00 C ATOM 78 O LEU A 7 13.819 2.040 -1.284 1.00 0.00 O ATOM 79 CB LEU A 7 16.516 2.762 -3.290 1.00 0.00 C ATOM 80 CG LEU A 7 17.850 3.526 -3.335 1.00 0.00 C ATOM 81 CD1 LEU A 7 18.129 3.963 -4.761 1.00 0.00 C ATOM 82 CD2 LEU A 7 17.897 4.760 -2.430 1.00 0.00 C ATOM 0 H LEU A 7 17.967 1.326 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 7 15.944 3.268 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.590 1.872 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.729 3.386 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 7 18.606 2.834 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.074 4.505 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.189 3.086 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.325 4.613 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.871 5.241 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.117 5.460 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.736 4.458 -1.395 1.00 0.00 H new ATOM 84 N GLU A 8 14.948 0.250 -2.051 1.00 0.00 N ATOM 85 CA GLU A 8 13.839 -0.724 -1.920 1.00 0.00 C ATOM 86 C GLU A 8 13.306 -0.780 -0.475 1.00 0.00 C ATOM 87 O GLU A 8 12.114 -0.949 -0.344 1.00 0.00 O ATOM 88 CB GLU A 8 14.238 -2.110 -2.460 1.00 0.00 C ATOM 89 CG GLU A 8 14.701 -3.196 -1.452 1.00 0.00 C ATOM 90 CD GLU A 8 15.861 -2.781 -0.563 1.00 0.00 C ATOM 91 OE1 GLU A 8 16.434 -1.705 -0.700 1.00 0.00 O ATOM 92 OE2 GLU A 8 16.077 -3.489 0.572 1.00 0.00 O ATOM 0 H GLU A 8 15.833 -0.177 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 8 13.014 -0.376 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.385 -2.510 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.041 -1.965 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.856 -3.470 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.987 -4.089 -2.007 1.00 0.00 H new ATOM 95 N ASP A 9 14.113 -0.556 0.566 1.00 0.00 N ATOM 96 CA ASP A 9 13.635 -0.554 1.964 1.00 0.00 C ATOM 97 C ASP A 9 12.538 0.507 2.184 1.00 0.00 C ATOM 98 O ASP A 9 11.461 0.236 2.700 1.00 0.00 O ATOM 99 CB ASP A 9 14.818 -0.428 2.960 1.00 0.00 C ATOM 100 CG ASP A 9 15.004 0.915 3.676 1.00 0.00 C ATOM 101 OD1 ASP A 9 14.134 1.426 4.380 1.00 0.00 O ATOM 102 OD2 ASP A 9 16.197 1.537 3.570 1.00 0.00 O ATOM 0 H ASP A 9 15.112 -0.371 0.471 1.00 0.00 H new ATOM 0 HA ASP A 9 13.166 -1.517 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.701 -1.200 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.738 -0.650 2.419 1.00 0.00 H new ATOM 105 N LYS A 10 12.796 1.653 1.558 1.00 0.00 N ATOM 106 CA LYS A 10 11.939 2.853 1.624 1.00 0.00 C ATOM 107 C LYS A 10 10.751 2.717 0.656 1.00 0.00 C ATOM 108 O LYS A 10 9.595 2.782 1.055 1.00 0.00 O ATOM 109 CB LYS A 10 12.791 4.090 1.303 1.00 0.00 C ATOM 110 CG LYS A 10 14.030 4.162 2.210 1.00 0.00 C ATOM 111 CD LYS A 10 14.971 5.289 1.814 1.00 0.00 C ATOM 112 CE LYS A 10 16.313 5.156 2.535 1.00 0.00 C ATOM 113 NZ LYS A 10 17.168 6.275 2.147 1.00 0.00 N ATOM 0 H LYS A 10 13.623 1.785 0.976 1.00 0.00 H new ATOM 0 HA LYS A 10 11.526 2.962 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.103 4.059 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.191 4.991 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.713 4.303 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.565 3.213 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.130 5.274 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.517 6.250 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.163 5.152 3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.789 4.210 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.085 6.196 2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.317 6.257 1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.711 7.170 2.415 1.00 0.00 H new ATOM 118 N VAL A 11 11.067 2.275 -0.566 1.00 0.00 N ATOM 119 CA VAL A 11 10.078 1.973 -1.627 1.00 0.00 C ATOM 120 C VAL A 11 9.174 0.752 -1.295 1.00 0.00 C ATOM 121 O VAL A 11 8.071 0.614 -1.810 1.00 0.00 O ATOM 122 CB VAL A 11 10.789 1.875 -3.001 1.00 0.00 C ATOM 123 CG1 VAL A 11 9.805 1.726 -4.164 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.653 3.105 -3.302 1.00 0.00 C ATOM 0 H VAL A 11 12.030 2.112 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 11 9.375 2.804 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 11 11.412 0.985 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.357 1.662 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.215 0.820 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.141 2.590 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.129 2.986 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.026 3.997 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.419 3.208 -2.534 1.00 0.00 H new ATOM 126 N GLU A 12 9.607 -0.076 -0.352 1.00 0.00 N ATOM 127 CA GLU A 12 8.846 -1.234 0.194 1.00 0.00 C ATOM 128 C GLU A 12 7.675 -0.772 1.080 1.00 0.00 C ATOM 129 O GLU A 12 6.566 -1.279 0.917 1.00 0.00 O ATOM 130 CB GLU A 12 9.788 -2.130 1.013 1.00 0.00 C ATOM 131 CG GLU A 12 9.143 -3.386 1.612 1.00 0.00 C ATOM 132 CD GLU A 12 10.156 -4.295 2.315 1.00 0.00 C ATOM 133 OE1 GLU A 12 9.991 -5.505 2.387 1.00 0.00 O ATOM 134 OE2 GLU A 12 11.259 -3.738 2.863 1.00 0.00 O ATOM 0 H GLU A 12 10.525 0.028 0.079 1.00 0.00 H new ATOM 0 HA GLU A 12 8.435 -1.794 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.617 -2.437 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.212 -1.538 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.373 -3.089 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.646 -3.947 0.820 1.00 0.00 H new ATOM 137 N GLU A 13 7.933 0.271 1.861 1.00 0.00 N ATOM 138 CA GLU A 13 6.893 0.906 2.711 1.00 0.00 C ATOM 139 C GLU A 13 5.717 1.410 1.852 1.00 0.00 C ATOM 140 O GLU A 13 4.579 1.447 2.328 1.00 0.00 O ATOM 141 CB GLU A 13 7.507 2.075 3.489 1.00 0.00 C ATOM 142 CG GLU A 13 6.773 2.310 4.816 1.00 0.00 C ATOM 143 CD GLU A 13 7.408 1.585 6.018 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.144 1.919 7.173 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.269 0.578 5.801 1.00 0.00 O ATOM 0 H GLU A 13 8.852 0.707 1.934 1.00 0.00 H new ATOM 0 HA GLU A 13 6.513 0.161 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.560 1.871 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.465 2.980 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.748 3.380 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.739 1.982 4.711 1.00 0.00 H new ATOM 148 N LEU A 14 5.987 1.636 0.559 1.00 0.00 N ATOM 149 CA LEU A 14 4.969 2.029 -0.420 1.00 0.00 C ATOM 150 C LEU A 14 3.992 0.874 -0.633 1.00 0.00 C ATOM 151 O LEU A 14 2.915 0.960 -0.077 1.00 0.00 O ATOM 152 CB LEU A 14 5.524 2.483 -1.773 1.00 0.00 C ATOM 153 CG LEU A 14 6.575 3.598 -1.685 1.00 0.00 C ATOM 154 CD1 LEU A 14 6.932 4.028 -3.104 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.147 4.802 -0.851 1.00 0.00 C ATOM 0 H LEU A 14 6.923 1.550 0.163 1.00 0.00 H new ATOM 0 HA LEU A 14 4.470 2.900 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.965 1.624 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.697 2.828 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 14 7.440 3.190 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.679 4.821 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.335 3.176 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.038 4.395 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.948 5.541 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.250 5.244 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.937 4.482 0.170 1.00 0.00 H new ATOM 157 N LEU A 15 4.453 -0.258 -1.176 1.00 0.00 N ATOM 158 CA LEU A 15 3.585 -1.437 -1.407 1.00 0.00 C ATOM 159 C LEU A 15 2.867 -1.891 -0.118 1.00 0.00 C ATOM 160 O LEU A 15 1.652 -1.843 -0.100 1.00 0.00 O ATOM 161 CB LEU A 15 4.332 -2.628 -2.012 1.00 0.00 C ATOM 162 CG LEU A 15 5.334 -2.249 -3.122 1.00 0.00 C ATOM 163 CD1 LEU A 15 5.910 -3.529 -3.718 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.745 -1.385 -4.243 1.00 0.00 C ATOM 0 H LEU A 15 5.422 -0.391 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 15 2.844 -1.100 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.867 -3.148 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.604 -3.330 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 15 6.103 -1.638 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.621 -3.276 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.418 -4.097 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.103 -4.130 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.519 -1.167 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.927 -1.921 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.369 -0.452 -3.824 1.00 0.00 H new ATOM 166 N SER A 16 3.602 -2.010 0.997 1.00 0.00 N ATOM 167 CA SER A 16 3.013 -2.283 2.329 1.00 0.00 C ATOM 168 C SER A 16 1.771 -1.451 2.690 1.00 0.00 C ATOM 169 O SER A 16 0.857 -1.954 3.342 1.00 0.00 O ATOM 170 CB SER A 16 4.030 -2.103 3.455 1.00 0.00 C ATOM 171 OG SER A 16 5.031 -3.121 3.369 1.00 0.00 O ATOM 0 H SER A 16 4.618 -1.921 1.008 1.00 0.00 H new ATOM 0 HA SER A 16 2.698 -3.323 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.492 -1.118 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.529 -2.153 4.422 1.00 0.00 H new ATOM 0 HG SER A 16 5.682 -3.001 4.091 1.00 0.00 H new ATOM 174 N LYS A 17 1.740 -0.208 2.207 1.00 0.00 N ATOM 175 CA LYS A 17 0.565 0.669 2.259 1.00 0.00 C ATOM 176 C LYS A 17 -0.267 0.738 0.962 1.00 0.00 C ATOM 177 O LYS A 17 -1.450 0.445 1.024 1.00 0.00 O ATOM 178 CB LYS A 17 0.924 2.071 2.728 1.00 0.00 C ATOM 179 CG LYS A 17 0.508 2.232 4.196 1.00 0.00 C ATOM 180 CD LYS A 17 0.491 3.703 4.590 1.00 0.00 C ATOM 181 CE LYS A 17 1.709 4.153 5.414 1.00 0.00 C ATOM 182 NZ LYS A 17 2.971 3.934 4.699 1.00 0.00 N ATOM 0 H LYS A 17 2.546 0.228 1.759 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.080 0.191 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.995 2.241 2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.420 2.815 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.480 1.797 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.200 1.686 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.436 4.308 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.414 3.903 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.610 5.211 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.729 3.608 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.764 4.267 5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.087 2.919 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.958 4.460 3.802 1.00 0.00 H new ATOM 187 N ASN A 18 0.320 1.027 -0.192 1.00 0.00 N ATOM 188 CA ASN A 18 -0.347 1.135 -1.507 1.00 0.00 C ATOM 189 C ASN A 18 -1.099 -0.158 -1.919 1.00 0.00 C ATOM 190 O ASN A 18 -2.250 -0.115 -2.338 1.00 0.00 O ATOM 191 CB ASN A 18 0.680 1.503 -2.586 1.00 0.00 C ATOM 192 CG ASN A 18 0.040 2.182 -3.807 1.00 0.00 C ATOM 193 OD1 ASN A 18 0.269 3.349 -4.093 1.00 0.00 O ATOM 194 ND2 ASN A 18 -0.779 1.477 -4.560 1.00 0.00 N ATOM 0 H ASN A 18 1.323 1.203 -0.252 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.097 1.921 -1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.429 2.168 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.201 0.602 -2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.218 1.905 -5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.975 0.503 -4.328 1.00 0.00 H new ATOM 198 N TYR A 19 -0.435 -1.297 -1.758 1.00 0.00 N ATOM 199 CA TYR A 19 -1.002 -2.640 -1.993 1.00 0.00 C ATOM 200 C TYR A 19 -2.166 -2.923 -1.018 1.00 0.00 C ATOM 201 O TYR A 19 -3.203 -3.443 -1.414 1.00 0.00 O ATOM 202 CB TYR A 19 0.129 -3.654 -1.812 1.00 0.00 C ATOM 203 CG TYR A 19 0.043 -4.889 -2.701 1.00 0.00 C ATOM 204 CD1 TYR A 19 0.079 -4.732 -4.104 1.00 0.00 C ATOM 205 CD2 TYR A 19 0.065 -6.162 -2.079 1.00 0.00 C ATOM 206 CE1 TYR A 19 0.125 -5.884 -4.911 1.00 0.00 C ATOM 207 CE2 TYR A 19 0.112 -7.311 -2.896 1.00 0.00 C ATOM 208 CZ TYR A 19 0.133 -7.158 -4.291 1.00 0.00 C ATOM 209 OH TYR A 19 0.105 -8.261 -5.079 1.00 0.00 O ATOM 0 H TYR A 19 0.538 -1.324 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.412 -2.710 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.078 -3.153 -2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.143 -3.976 -0.771 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.071 -3.748 -4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.046 -6.251 -1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.154 -5.798 -5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.132 -8.296 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 19 0.116 -9.064 -4.518 1.00 0.00 H new ATOM 212 N HIS A 20 -2.011 -2.393 0.200 1.00 0.00 N ATOM 213 CA HIS A 20 -3.038 -2.394 1.269 1.00 0.00 C ATOM 214 C HIS A 20 -4.097 -1.264 1.132 1.00 0.00 C ATOM 215 O HIS A 20 -5.172 -1.293 1.731 1.00 0.00 O ATOM 216 CB HIS A 20 -2.236 -2.394 2.579 1.00 0.00 C ATOM 217 CG HIS A 20 -2.845 -1.701 3.797 1.00 0.00 C ATOM 218 ND1 HIS A 20 -3.524 -2.267 4.788 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.857 -0.376 3.995 1.00 0.00 C ATOM 220 CE1 HIS A 20 -3.987 -1.305 5.578 1.00 0.00 C ATOM 221 NE2 HIS A 20 -3.582 -0.148 5.083 1.00 0.00 N ATOM 0 H HIS A 20 -1.145 -1.936 0.486 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.682 -3.272 1.216 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.040 -3.431 2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.271 -1.929 2.379 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.368 0.368 3.383 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.587 -1.443 6.466 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.792 0.770 5.474 1.00 0.00 H new ATOM 225 N LEU A 21 -3.850 -0.347 0.211 1.00 0.00 N ATOM 226 CA LEU A 21 -4.672 0.839 -0.058 1.00 0.00 C ATOM 227 C LEU A 21 -5.741 0.502 -1.100 1.00 0.00 C ATOM 228 O LEU A 21 -6.926 0.657 -0.821 1.00 0.00 O ATOM 229 CB LEU A 21 -3.767 1.996 -0.501 1.00 0.00 C ATOM 230 CG LEU A 21 -4.493 3.243 -1.016 1.00 0.00 C ATOM 231 CD1 LEU A 21 -5.135 4.041 0.120 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.508 4.117 -1.796 1.00 0.00 C ATOM 0 H LEU A 21 -3.036 -0.404 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.191 1.154 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.138 2.285 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.102 1.634 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.300 2.921 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.639 4.916 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.860 3.415 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.364 4.361 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.022 5.005 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.690 4.416 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.110 3.553 -2.639 1.00 0.00 H new ATOM 234 N GLU A 22 -5.312 -0.194 -2.136 1.00 0.00 N ATOM 235 CA GLU A 22 -6.208 -0.712 -3.194 1.00 0.00 C ATOM 236 C GLU A 22 -7.271 -1.680 -2.633 1.00 0.00 C ATOM 237 O GLU A 22 -8.418 -1.653 -3.090 1.00 0.00 O ATOM 238 CB GLU A 22 -5.365 -1.368 -4.293 1.00 0.00 C ATOM 239 CG GLU A 22 -4.356 -0.399 -4.925 1.00 0.00 C ATOM 240 CD GLU A 22 -4.650 -0.050 -6.381 1.00 0.00 C ATOM 241 OE1 GLU A 22 -4.915 -0.888 -7.224 1.00 0.00 O ATOM 242 OE2 GLU A 22 -4.441 1.235 -6.743 1.00 0.00 O ATOM 0 H GLU A 22 -4.330 -0.426 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.761 0.124 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.830 -2.221 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.025 -1.755 -5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.337 0.520 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.360 -0.838 -4.862 1.00 0.00 H new ATOM 245 N ASN A 23 -6.928 -2.372 -1.541 1.00 0.00 N ATOM 246 CA ASN A 23 -7.900 -3.217 -0.813 1.00 0.00 C ATOM 247 C ASN A 23 -8.795 -2.380 0.122 1.00 0.00 C ATOM 248 O ASN A 23 -10.011 -2.600 0.166 1.00 0.00 O ATOM 249 CB ASN A 23 -7.224 -4.394 -0.072 1.00 0.00 C ATOM 250 CG ASN A 23 -6.790 -4.107 1.367 1.00 0.00 C ATOM 251 OD1 ASN A 23 -5.626 -3.974 1.683 1.00 0.00 O ATOM 252 ND2 ASN A 23 -7.722 -4.074 2.300 1.00 0.00 N ATOM 0 H ASN A 23 -5.991 -2.368 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.550 -3.664 -1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.913 -5.238 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.348 -4.704 -0.642 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.461 -3.938 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.703 -4.185 2.045 1.00 0.00 H new ATOM 256 N GLU A 24 -8.195 -1.488 0.910 1.00 0.00 N ATOM 257 CA GLU A 24 -8.958 -0.676 1.874 1.00 0.00 C ATOM 258 C GLU A 24 -9.952 0.282 1.181 1.00 0.00 C ATOM 259 O GLU A 24 -11.122 0.207 1.470 1.00 0.00 O ATOM 260 CB GLU A 24 -8.091 0.042 2.919 1.00 0.00 C ATOM 261 CG GLU A 24 -7.278 1.214 2.363 1.00 0.00 C ATOM 262 CD GLU A 24 -6.516 2.049 3.386 1.00 0.00 C ATOM 263 OE1 GLU A 24 -6.217 3.218 3.163 1.00 0.00 O ATOM 264 OE2 GLU A 24 -6.164 1.485 4.561 1.00 0.00 O ATOM 0 H GLU A 24 -7.191 -1.306 0.905 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.547 -1.396 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.735 0.408 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.407 -0.680 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.563 0.822 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.955 1.873 1.818 1.00 0.00 H new ATOM 267 N VAL A 25 -9.472 0.961 0.122 1.00 0.00 N ATOM 268 CA VAL A 25 -10.267 1.814 -0.781 1.00 0.00 C ATOM 269 C VAL A 25 -11.516 1.068 -1.291 1.00 0.00 C ATOM 270 O VAL A 25 -12.578 1.666 -1.322 1.00 0.00 O ATOM 271 CB VAL A 25 -9.406 2.392 -1.917 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.197 3.113 -3.011 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.438 3.430 -1.340 1.00 0.00 C ATOM 0 H VAL A 25 -8.486 0.930 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.627 2.670 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.910 1.530 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.510 3.488 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.900 2.418 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.745 3.948 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.826 3.842 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.004 4.232 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.794 2.955 -0.600 1.00 0.00 H new ATOM 275 N ALA A 26 -11.374 -0.245 -1.501 1.00 0.00 N ATOM 276 CA ALA A 26 -12.505 -1.122 -1.809 1.00 0.00 C ATOM 277 C ALA A 26 -13.541 -1.118 -0.674 1.00 0.00 C ATOM 278 O ALA A 26 -14.476 -0.335 -0.758 1.00 0.00 O ATOM 279 CB ALA A 26 -12.027 -2.535 -2.188 1.00 0.00 C ATOM 0 H ALA A 26 -10.476 -0.726 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.016 -0.727 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.889 -3.163 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.383 -2.478 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.470 -2.966 -1.356 1.00 0.00 H new ATOM 281 N ARG A 27 -13.242 -1.735 0.474 1.00 0.00 N ATOM 282 CA ARG A 27 -14.154 -1.738 1.643 1.00 0.00 C ATOM 283 C ARG A 27 -14.622 -0.337 2.116 1.00 0.00 C ATOM 284 O ARG A 27 -15.772 -0.189 2.516 1.00 0.00 O ATOM 285 CB ARG A 27 -13.630 -2.554 2.829 1.00 0.00 C ATOM 286 CG ARG A 27 -13.655 -4.050 2.538 1.00 0.00 C ATOM 287 CD ARG A 27 -12.341 -4.467 1.872 1.00 0.00 C ATOM 288 NE ARG A 27 -12.562 -5.582 0.926 1.00 0.00 N ATOM 289 CZ ARG A 27 -11.625 -6.103 0.140 1.00 0.00 C ATOM 290 NH1 ARG A 27 -10.411 -5.568 0.046 1.00 0.00 N ATOM 291 NH2 ARG A 27 -11.823 -7.255 -0.482 1.00 0.00 N ATOM 0 H ARG A 27 -12.372 -2.244 0.628 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.038 -2.241 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.611 -2.245 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -14.235 -2.344 3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.798 -4.608 3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -14.496 -4.290 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.910 -3.616 1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.621 -4.768 2.634 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.500 -5.979 0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.178 -4.735 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.713 -5.991 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.704 -7.755 -0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.095 -7.642 -1.082 1.00 0.00 H new ATOM 298 N LEU A 28 -13.763 0.646 1.925 1.00 0.00 N ATOM 299 CA LEU A 28 -14.014 2.095 2.141 1.00 0.00 C ATOM 300 C LEU A 28 -15.086 2.663 1.190 1.00 0.00 C ATOM 301 O LEU A 28 -16.164 3.035 1.631 1.00 0.00 O ATOM 302 CB LEU A 28 -12.658 2.808 2.036 1.00 0.00 C ATOM 303 CG LEU A 28 -12.717 4.319 1.761 1.00 0.00 C ATOM 304 CD1 LEU A 28 -13.200 5.089 2.992 1.00 0.00 C ATOM 305 CD2 LEU A 28 -11.365 4.854 1.306 1.00 0.00 C ATOM 0 H LEU A 28 -12.814 0.466 1.597 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.439 2.264 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.112 2.648 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.081 2.335 1.241 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.435 4.471 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.231 6.155 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.198 4.747 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.516 4.914 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.442 5.925 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.622 4.673 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.063 4.347 0.389 1.00 0.00 H new ATOM 307 N LYS A 29 -14.813 2.683 -0.117 1.00 0.00 N ATOM 308 CA LYS A 29 -15.772 3.207 -1.114 1.00 0.00 C ATOM 309 C LYS A 29 -17.020 2.304 -1.231 1.00 0.00 C ATOM 310 O LYS A 29 -18.084 2.761 -1.630 1.00 0.00 O ATOM 311 CB LYS A 29 -15.030 3.525 -2.421 1.00 0.00 C ATOM 312 CG LYS A 29 -15.285 2.678 -3.676 1.00 0.00 C ATOM 313 CD LYS A 29 -15.059 1.174 -3.475 1.00 0.00 C ATOM 314 CE LYS A 29 -14.651 0.417 -4.732 1.00 0.00 C ATOM 315 NZ LYS A 29 -13.192 0.544 -4.834 1.00 0.00 N ATOM 0 H LYS A 29 -13.938 2.344 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.192 4.158 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.255 4.560 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.962 3.475 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.311 2.839 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.633 3.028 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.288 1.035 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.975 0.732 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.947 -0.630 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.140 0.833 -5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.945 0.986 -5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.840 1.135 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.757 -0.399 -4.778 1.00 0.00 H new ATOM 320 N LYS A 30 -16.872 1.045 -0.826 1.00 0.00 N ATOM 321 CA LYS A 30 -17.979 0.074 -0.704 1.00 0.00 C ATOM 322 C LYS A 30 -19.016 0.459 0.363 1.00 0.00 C ATOM 323 O LYS A 30 -20.097 -0.105 0.376 1.00 0.00 O ATOM 324 CB LYS A 30 -17.444 -1.333 -0.415 1.00 0.00 C ATOM 325 CG LYS A 30 -17.027 -2.059 -1.691 1.00 0.00 C ATOM 326 CD LYS A 30 -16.185 -3.334 -1.464 1.00 0.00 C ATOM 327 CE LYS A 30 -16.886 -4.506 -0.774 1.00 0.00 C ATOM 328 NZ LYS A 30 -17.030 -4.278 0.678 1.00 0.00 N ATOM 0 H LYS A 30 -15.966 0.655 -0.566 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.489 0.086 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.590 -1.265 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.210 -1.914 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.924 -2.327 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.457 -1.370 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.820 -3.678 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.311 -3.064 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.870 -4.654 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.318 -5.421 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.479 -4.991 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.680 -3.328 0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.033 -4.355 0.944 1.00 0.00 H new ATOM 333 N LEU A 31 -18.621 1.387 1.247 1.00 0.00 N ATOM 334 CA LEU A 31 -19.536 2.064 2.183 1.00 0.00 C ATOM 335 C LEU A 31 -20.439 3.111 1.492 1.00 0.00 C ATOM 336 O LEU A 31 -21.513 3.401 1.967 1.00 0.00 O ATOM 337 CB LEU A 31 -18.777 2.708 3.348 1.00 0.00 C ATOM 338 CG LEU A 31 -17.806 1.736 4.053 1.00 0.00 C ATOM 339 CD1 LEU A 31 -16.907 2.510 5.016 1.00 0.00 C ATOM 340 CD2 LEU A 31 -18.516 0.580 4.759 1.00 0.00 C ATOM 0 H LEU A 31 -17.652 1.692 1.335 1.00 0.00 H new ATOM 0 HA LEU A 31 -20.187 1.283 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.216 3.566 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -19.495 3.086 4.076 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.192 1.274 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.224 1.819 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -16.334 3.253 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.521 3.011 5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.777 -0.065 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -19.192 0.976 5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -19.086 0.004 4.030 1.00 0.00 H new ATOM 342 N VAL A 32 -20.043 3.520 0.275 1.00 0.00 N ATOM 343 CA VAL A 32 -20.810 4.468 -0.577 1.00 0.00 C ATOM 344 C VAL A 32 -21.741 3.711 -1.569 1.00 0.00 C ATOM 345 O VAL A 32 -22.481 4.317 -2.334 1.00 0.00 O ATOM 346 CB VAL A 32 -19.811 5.439 -1.252 1.00 0.00 C ATOM 347 CG1 VAL A 32 -20.458 6.490 -2.157 1.00 0.00 C ATOM 348 CG2 VAL A 32 -18.987 6.200 -0.207 1.00 0.00 C ATOM 0 H VAL A 32 -19.175 3.204 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.490 5.068 0.028 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.190 4.788 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -19.684 7.126 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -21.006 5.993 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -21.146 7.101 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.294 6.874 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -19.655 6.777 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.426 5.490 0.401 1.00 0.00 H new ATOM 350 N GLY A 33 -21.841 2.395 -1.390 1.00 0.00 N ATOM 351 CA GLY A 33 -22.724 1.507 -2.189 1.00 0.00 C ATOM 352 C GLY A 33 -24.145 1.368 -1.611 1.00 0.00 C ATOM 353 O GLY A 33 -25.099 1.098 -2.332 1.00 0.00 O ATOM 0 H GLY A 33 -21.308 1.895 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.791 1.894 -3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.269 0.519 -2.254 1.00 0.00 H new ATOM 355 N GLU A 34 -24.235 1.523 -0.299 1.00 0.00 N ATOM 356 CA GLU A 34 -25.470 1.367 0.511 1.00 0.00 C ATOM 357 C GLU A 34 -25.835 2.657 1.289 1.00 0.00 C ATOM 358 O GLU A 34 -26.394 2.596 2.383 1.00 0.00 O ATOM 359 CB GLU A 34 -25.363 0.107 1.408 1.00 0.00 C ATOM 360 CG GLU A 34 -24.227 0.061 2.450 1.00 0.00 C ATOM 361 CD GLU A 34 -22.842 -0.089 1.831 1.00 0.00 C ATOM 362 OE1 GLU A 34 -22.254 0.886 1.364 1.00 0.00 O ATOM 363 OE2 GLU A 34 -22.312 -1.321 1.701 1.00 0.00 O ATOM 0 H GLU A 34 -23.425 1.771 0.270 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.310 1.210 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -26.309 -0.008 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -25.255 -0.760 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -24.254 0.973 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -24.404 -0.770 3.132 1.00 0.00 H new ATOM 366 N ARG A 35 -25.567 3.787 0.648 1.00 0.00 N ATOM 367 CA ARG A 35 -25.881 5.158 1.139 1.00 0.00 C ATOM 368 C ARG A 35 -25.682 6.268 0.083 1.00 0.00 C ATOM 369 O ARG A 35 -25.253 5.911 -1.028 1.00 0.00 O ATOM 370 CB ARG A 35 -25.160 5.508 2.456 1.00 0.00 C ATOM 371 CG ARG A 35 -23.628 5.520 2.404 1.00 0.00 C ATOM 372 CD ARG A 35 -23.022 6.849 1.947 1.00 0.00 C ATOM 373 NE ARG A 35 -21.683 6.969 2.561 1.00 0.00 N ATOM 374 CZ ARG A 35 -21.451 7.201 3.856 1.00 0.00 C ATOM 375 NH1 ARG A 35 -22.367 7.762 4.639 1.00 0.00 N ATOM 376 NH2 ARG A 35 -20.236 7.060 4.343 1.00 0.00 N ATOM 377 OXT ARG A 35 -25.974 7.444 0.415 1.00 0.00 O ATOM 0 H ARG A 35 -25.108 3.794 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 35 -26.950 5.125 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -25.500 6.491 2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -25.472 4.794 3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.241 5.279 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.293 4.731 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.948 6.882 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -23.657 7.682 2.249 1.00 0.00 H new ATOM 0 HE ARG A 35 -20.874 6.867 1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -23.274 8.027 4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -22.163 7.928 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.472 6.774 3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -20.059 7.237 5.332 1.00 0.00 H new TER 384 ARG A 35