USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR N :NH3+ -158:sc= -0.328 (180deg=-1.09) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 72:sc= 0.725 USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.829) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 5:sc= -0.504 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -17:sc= 0.386 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.49) USER MOD Single : A 52 LYS NZ :NH3+ 152:sc=-0.00655 (180deg=-0.713) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -42.542 -5.374 -13.123 1.00 0.00 N ATOM 2 CA THR A 1 -42.667 -4.053 -13.784 1.00 0.00 C ATOM 3 C THR A 1 -41.369 -3.431 -14.419 1.00 0.00 C ATOM 4 O THR A 1 -41.534 -2.862 -15.503 1.00 0.00 O ATOM 5 CB THR A 1 -43.550 -3.066 -12.960 1.00 0.00 C ATOM 6 OG1 THR A 1 -43.929 -1.967 -13.782 1.00 0.00 O ATOM 7 CG2 THR A 1 -42.943 -2.501 -11.663 1.00 0.00 C ATOM 0 H1 THR A 1 -43.475 -5.833 -13.084 1.00 0.00 H new ATOM 0 H2 THR A 1 -41.884 -5.972 -13.663 1.00 0.00 H new ATOM 0 H3 THR A 1 -42.179 -5.246 -12.157 1.00 0.00 H new ATOM 0 HA THR A 1 -43.217 -4.273 -14.699 1.00 0.00 H new ATOM 0 HB THR A 1 -44.392 -3.680 -12.641 1.00 0.00 H new ATOM 0 HG1 THR A 1 -44.485 -1.348 -13.264 1.00 0.00 H new ATOM 0 HG21 THR A 1 -43.659 -1.830 -11.188 1.00 0.00 H new ATOM 0 HG22 THR A 1 -42.709 -3.321 -10.984 1.00 0.00 H new ATOM 0 HG23 THR A 1 -42.031 -1.952 -11.897 1.00 0.00 H new ATOM 17 N PRO A 2 -40.115 -3.456 -13.864 1.00 0.00 N ATOM 18 CA PRO A 2 -38.970 -2.685 -14.418 1.00 0.00 C ATOM 19 C PRO A 2 -38.274 -3.450 -15.586 1.00 0.00 C ATOM 20 O PRO A 2 -37.643 -4.492 -15.379 1.00 0.00 O ATOM 21 CB PRO A 2 -38.073 -2.501 -13.165 1.00 0.00 C ATOM 22 CG PRO A 2 -38.340 -3.730 -12.291 1.00 0.00 C ATOM 23 CD PRO A 2 -39.798 -4.096 -12.575 1.00 0.00 C ATOM 0 HA PRO A 2 -39.241 -1.735 -14.878 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -37.021 -2.436 -13.441 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -38.321 -1.581 -12.636 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -37.669 -4.550 -12.545 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -38.186 -3.507 -11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -39.929 -5.177 -12.630 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -40.456 -3.735 -11.784 1.00 0.00 H new ATOM 31 N ASP A 3 -38.417 -2.914 -16.811 1.00 0.00 N ATOM 32 CA ASP A 3 -37.884 -3.554 -18.046 1.00 0.00 C ATOM 33 C ASP A 3 -36.444 -3.041 -18.304 1.00 0.00 C ATOM 34 O ASP A 3 -36.220 -1.844 -18.515 1.00 0.00 O ATOM 35 CB ASP A 3 -38.809 -3.276 -19.261 1.00 0.00 C ATOM 36 CG ASP A 3 -40.185 -3.961 -19.196 1.00 0.00 C ATOM 37 OD1 ASP A 3 -40.300 -5.130 -19.625 1.00 0.00 O ATOM 38 OD2 ASP A 3 -41.151 -3.332 -18.709 1.00 0.00 O ATOM 0 H ASP A 3 -38.900 -2.032 -16.982 1.00 0.00 H new ATOM 0 HA ASP A 3 -37.855 -4.635 -17.908 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -38.959 -2.200 -19.347 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -38.300 -3.600 -20.169 1.00 0.00 H new ATOM 43 N VAL A 4 -35.483 -3.978 -18.243 1.00 0.00 N ATOM 44 CA VAL A 4 -34.029 -3.666 -18.261 1.00 0.00 C ATOM 45 C VAL A 4 -33.425 -4.333 -19.539 1.00 0.00 C ATOM 46 O VAL A 4 -33.204 -3.610 -20.517 1.00 0.00 O ATOM 47 CB VAL A 4 -33.393 -3.932 -16.844 1.00 0.00 C ATOM 48 CG1 VAL A 4 -31.853 -3.966 -16.856 1.00 0.00 C ATOM 49 CG2 VAL A 4 -33.839 -2.882 -15.796 1.00 0.00 C ATOM 0 H VAL A 4 -35.684 -4.976 -18.180 1.00 0.00 H new ATOM 0 HA VAL A 4 -33.783 -2.611 -18.384 1.00 0.00 H new ATOM 0 HB VAL A 4 -33.762 -4.920 -16.568 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -31.485 -4.153 -15.847 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -31.512 -4.760 -17.520 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -31.471 -3.008 -17.209 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -33.375 -3.107 -14.836 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -33.533 -1.888 -16.123 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -34.924 -2.911 -15.691 1.00 0.00 H new ATOM 59 N SER A 5 -33.147 -5.662 -19.559 1.00 0.00 N ATOM 60 CA SER A 5 -32.467 -6.367 -20.691 1.00 0.00 C ATOM 61 C SER A 5 -31.138 -5.704 -21.181 1.00 0.00 C ATOM 62 O SER A 5 -31.044 -5.237 -22.322 1.00 0.00 O ATOM 63 CB SER A 5 -33.492 -6.683 -21.811 1.00 0.00 C ATOM 64 OG SER A 5 -32.934 -7.570 -22.774 1.00 0.00 O ATOM 0 H SER A 5 -33.388 -6.284 -18.787 1.00 0.00 H new ATOM 0 HA SER A 5 -32.101 -7.319 -20.306 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.387 -7.128 -21.376 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.801 -5.758 -22.298 1.00 0.00 H new ATOM 0 HG SER A 5 -33.598 -7.757 -23.470 1.00 0.00 H new ATOM 70 N SER A 6 -30.136 -5.624 -20.280 1.00 0.00 N ATOM 71 CA SER A 6 -28.877 -4.848 -20.489 1.00 0.00 C ATOM 72 C SER A 6 -29.103 -3.329 -20.800 1.00 0.00 C ATOM 73 O SER A 6 -28.790 -2.860 -21.899 1.00 0.00 O ATOM 74 CB SER A 6 -27.918 -5.585 -21.451 1.00 0.00 C ATOM 75 OG SER A 6 -26.637 -4.965 -21.471 1.00 0.00 O ATOM 0 H SER A 6 -30.170 -6.097 -19.377 1.00 0.00 H new ATOM 0 HA SER A 6 -28.361 -4.810 -19.530 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.817 -6.626 -21.143 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.339 -5.590 -22.456 1.00 0.00 H new ATOM 0 HG SER A 6 -26.048 -5.450 -22.086 1.00 0.00 H new ATOM 81 N ALA A 7 -29.640 -2.575 -19.819 1.00 0.00 N ATOM 82 CA ALA A 7 -29.825 -1.103 -19.922 1.00 0.00 C ATOM 83 C ALA A 7 -29.386 -0.453 -18.583 1.00 0.00 C ATOM 84 O ALA A 7 -28.296 0.123 -18.524 1.00 0.00 O ATOM 85 CB ALA A 7 -31.262 -0.761 -20.377 1.00 0.00 C ATOM 0 H ALA A 7 -29.959 -2.964 -18.932 1.00 0.00 H new ATOM 0 HA ALA A 7 -29.189 -0.677 -20.698 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -31.374 0.321 -20.445 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -31.451 -1.208 -21.353 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -31.976 -1.155 -19.654 1.00 0.00 H new ATOM 91 N LEU A 8 -30.190 -0.575 -17.506 1.00 0.00 N ATOM 92 CA LEU A 8 -29.778 -0.234 -16.121 1.00 0.00 C ATOM 93 C LEU A 8 -29.396 -1.525 -15.303 1.00 0.00 C ATOM 94 O LEU A 8 -29.920 -1.828 -14.224 1.00 0.00 O ATOM 95 CB LEU A 8 -30.998 0.486 -15.511 1.00 0.00 C ATOM 96 CG LEU A 8 -31.206 2.004 -15.785 1.00 0.00 C ATOM 97 CD1 LEU A 8 -31.642 2.335 -17.228 1.00 0.00 C ATOM 98 CD2 LEU A 8 -32.234 2.588 -14.795 1.00 0.00 C ATOM 0 H LEU A 8 -31.150 -0.915 -17.569 1.00 0.00 H new ATOM 0 HA LEU A 8 -28.887 0.394 -16.101 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -31.891 -0.034 -15.857 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -30.950 0.352 -14.430 1.00 0.00 H new ATOM 0 HG LEU A 8 -30.227 2.463 -15.645 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -31.764 3.413 -17.333 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -30.882 1.986 -17.927 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -32.588 1.840 -17.445 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -32.371 3.650 -14.997 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -33.186 2.071 -14.912 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -31.873 2.456 -13.775 1.00 0.00 H new ATOM 110 N ASP A 9 -28.456 -2.277 -15.872 1.00 0.00 N ATOM 111 CA ASP A 9 -28.103 -3.665 -15.413 1.00 0.00 C ATOM 112 C ASP A 9 -26.748 -3.743 -14.652 1.00 0.00 C ATOM 113 O ASP A 9 -25.828 -4.511 -14.954 1.00 0.00 O ATOM 114 CB ASP A 9 -28.176 -4.565 -16.653 1.00 0.00 C ATOM 115 CG ASP A 9 -28.441 -6.062 -16.418 1.00 0.00 C ATOM 116 OD1 ASP A 9 -27.765 -6.686 -15.571 1.00 0.00 O ATOM 117 OD2 ASP A 9 -29.328 -6.624 -17.097 1.00 0.00 O ATOM 0 H ASP A 9 -27.903 -1.961 -16.668 1.00 0.00 H new ATOM 0 HA ASP A 9 -28.812 -4.010 -14.660 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -28.961 -4.181 -17.304 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -27.236 -4.469 -17.196 1.00 0.00 H new ATOM 122 N LYS A 10 -26.697 -2.874 -13.644 1.00 0.00 N ATOM 123 CA LYS A 10 -25.471 -2.519 -12.861 1.00 0.00 C ATOM 124 C LYS A 10 -24.234 -2.109 -13.733 1.00 0.00 C ATOM 125 O LYS A 10 -23.136 -2.651 -13.572 1.00 0.00 O ATOM 126 CB LYS A 10 -25.145 -3.596 -11.780 1.00 0.00 C ATOM 127 CG LYS A 10 -26.227 -3.810 -10.692 1.00 0.00 C ATOM 128 CD LYS A 10 -25.857 -4.839 -9.604 1.00 0.00 C ATOM 129 CE LYS A 10 -25.834 -6.302 -10.091 1.00 0.00 C ATOM 130 NZ LYS A 10 -25.531 -7.232 -8.989 1.00 0.00 N ATOM 0 H LYS A 10 -27.524 -2.371 -13.324 1.00 0.00 H new ATOM 0 HA LYS A 10 -25.718 -1.601 -12.328 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -24.970 -4.547 -12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -24.212 -3.319 -11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -26.434 -2.853 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -27.150 -4.130 -11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -24.876 -4.587 -9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -26.569 -4.753 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -26.799 -6.556 -10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -25.088 -6.413 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -25.523 -8.207 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -24.599 -7.004 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -26.257 -7.142 -8.250 1.00 0.00 H new ATOM 144 N LEU A 11 -24.444 -1.161 -14.677 1.00 0.00 N ATOM 145 CA LEU A 11 -23.502 -0.833 -15.786 1.00 0.00 C ATOM 146 C LEU A 11 -22.665 -1.999 -16.415 1.00 0.00 C ATOM 147 O LEU A 11 -21.431 -1.946 -16.437 1.00 0.00 O ATOM 148 CB LEU A 11 -22.710 0.488 -15.532 1.00 0.00 C ATOM 149 CG LEU A 11 -21.626 0.521 -14.411 1.00 0.00 C ATOM 150 CD1 LEU A 11 -20.497 1.510 -14.765 1.00 0.00 C ATOM 151 CD2 LEU A 11 -22.201 0.878 -13.026 1.00 0.00 C ATOM 0 H LEU A 11 -25.288 -0.589 -14.694 1.00 0.00 H new ATOM 0 HA LEU A 11 -24.178 -0.639 -16.619 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.223 0.764 -16.467 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.437 1.269 -15.309 1.00 0.00 H new ATOM 0 HG LEU A 11 -21.227 -0.492 -14.352 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.754 1.514 -13.968 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.025 1.204 -15.699 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.913 2.511 -14.879 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -21.398 0.885 -12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.664 1.864 -13.067 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -22.949 0.138 -12.741 1.00 0.00 H new ATOM 163 N LYS A 12 -23.338 -3.040 -16.953 1.00 0.00 N ATOM 164 CA LYS A 12 -22.651 -4.088 -17.772 1.00 0.00 C ATOM 165 C LYS A 12 -22.204 -3.616 -19.196 1.00 0.00 C ATOM 166 O LYS A 12 -21.080 -3.897 -19.617 1.00 0.00 O ATOM 167 CB LYS A 12 -23.427 -5.427 -17.772 1.00 0.00 C ATOM 168 CG LYS A 12 -24.747 -5.474 -18.569 1.00 0.00 C ATOM 169 CD LYS A 12 -25.563 -6.755 -18.325 1.00 0.00 C ATOM 170 CE LYS A 12 -25.026 -8.058 -18.954 1.00 0.00 C ATOM 171 NZ LYS A 12 -25.092 -8.064 -20.428 1.00 0.00 N ATOM 0 H LYS A 12 -24.342 -3.185 -16.843 1.00 0.00 H new ATOM 0 HA LYS A 12 -21.706 -4.279 -17.264 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -22.767 -6.200 -18.165 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -23.647 -5.691 -16.737 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -25.354 -4.609 -18.303 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -24.524 -5.391 -19.633 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -25.642 -6.906 -17.248 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -26.573 -6.590 -18.699 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -23.992 -8.204 -18.643 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -25.597 -8.902 -18.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -24.717 -8.965 -20.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -26.081 -7.954 -20.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -24.525 -7.278 -20.804 1.00 0.00 H new ATOM 185 N GLU A 13 -23.093 -2.900 -19.909 1.00 0.00 N ATOM 186 CA GLU A 13 -22.835 -2.325 -21.255 1.00 0.00 C ATOM 187 C GLU A 13 -21.943 -1.046 -21.238 1.00 0.00 C ATOM 188 O GLU A 13 -20.943 -1.012 -21.958 1.00 0.00 O ATOM 189 CB GLU A 13 -24.182 -2.169 -22.027 1.00 0.00 C ATOM 190 CG GLU A 13 -25.219 -1.095 -21.595 1.00 0.00 C ATOM 191 CD GLU A 13 -25.724 -1.173 -20.147 1.00 0.00 C ATOM 192 OE1 GLU A 13 -26.349 -2.189 -19.770 1.00 0.00 O ATOM 193 OE2 GLU A 13 -25.476 -0.224 -19.370 1.00 0.00 O ATOM 0 H GLU A 13 -24.031 -2.697 -19.564 1.00 0.00 H new ATOM 0 HA GLU A 13 -22.220 -3.031 -21.813 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -23.934 -1.975 -23.071 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -24.686 -3.135 -21.993 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -24.776 -0.111 -21.749 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -26.079 -1.164 -22.261 1.00 0.00 H new ATOM 200 N PHE A 14 -22.273 -0.030 -20.407 1.00 0.00 N ATOM 201 CA PHE A 14 -21.407 1.164 -20.192 1.00 0.00 C ATOM 202 C PHE A 14 -20.040 0.855 -19.500 1.00 0.00 C ATOM 203 O PHE A 14 -19.031 1.403 -19.948 1.00 0.00 O ATOM 204 CB PHE A 14 -22.218 2.284 -19.473 1.00 0.00 C ATOM 205 CG PHE A 14 -21.471 3.623 -19.298 1.00 0.00 C ATOM 206 CD1 PHE A 14 -21.270 4.474 -20.393 1.00 0.00 C ATOM 207 CD2 PHE A 14 -20.921 3.964 -18.057 1.00 0.00 C ATOM 208 CE1 PHE A 14 -20.523 5.640 -20.248 1.00 0.00 C ATOM 209 CE2 PHE A 14 -20.176 5.132 -17.914 1.00 0.00 C ATOM 210 CZ PHE A 14 -19.975 5.968 -19.009 1.00 0.00 C ATOM 0 H PHE A 14 -23.139 -0.010 -19.868 1.00 0.00 H new ATOM 0 HA PHE A 14 -21.113 1.527 -21.177 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.133 2.467 -20.036 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -22.516 1.921 -18.490 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.696 4.224 -21.353 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.075 3.318 -17.206 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.368 6.291 -21.096 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.754 5.389 -16.954 1.00 0.00 H new ATOM 0 HZ PHE A 14 -19.394 6.872 -18.898 1.00 0.00 H new ATOM 220 N GLY A 15 -19.993 -0.007 -18.461 1.00 0.00 N ATOM 221 CA GLY A 15 -18.710 -0.509 -17.882 1.00 0.00 C ATOM 222 C GLY A 15 -17.696 -1.148 -18.865 1.00 0.00 C ATOM 223 O GLY A 15 -16.519 -0.781 -18.839 1.00 0.00 O ATOM 0 H GLY A 15 -20.825 -0.375 -18.000 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.217 0.323 -17.380 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.950 -1.246 -17.116 1.00 0.00 H new ATOM 227 N ASN A 16 -18.165 -2.043 -19.757 1.00 0.00 N ATOM 228 CA ASN A 16 -17.369 -2.538 -20.917 1.00 0.00 C ATOM 229 C ASN A 16 -16.918 -1.457 -21.964 1.00 0.00 C ATOM 230 O ASN A 16 -15.834 -1.609 -22.533 1.00 0.00 O ATOM 231 CB ASN A 16 -18.175 -3.692 -21.583 1.00 0.00 C ATOM 232 CG ASN A 16 -17.384 -4.556 -22.587 1.00 0.00 C ATOM 233 OD1 ASN A 16 -17.404 -4.311 -23.793 1.00 0.00 O ATOM 234 ND2 ASN A 16 -16.673 -5.569 -22.115 1.00 0.00 N ATOM 0 H ASN A 16 -19.100 -2.446 -19.702 1.00 0.00 H new ATOM 0 HA ASN A 16 -16.415 -2.886 -20.522 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -18.564 -4.341 -20.798 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -19.035 -3.263 -22.097 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -16.135 -6.155 -22.753 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -16.664 -5.763 -21.114 1.00 0.00 H new ATOM 241 N THR A 17 -17.712 -0.390 -22.219 1.00 0.00 N ATOM 242 CA THR A 17 -17.367 0.705 -23.165 1.00 0.00 C ATOM 243 C THR A 17 -16.103 1.513 -22.727 1.00 0.00 C ATOM 244 O THR A 17 -15.126 1.505 -23.482 1.00 0.00 O ATOM 245 CB THR A 17 -18.644 1.570 -23.411 1.00 0.00 C ATOM 246 OG1 THR A 17 -19.714 0.761 -23.892 1.00 0.00 O ATOM 247 CG2 THR A 17 -18.454 2.692 -24.437 1.00 0.00 C ATOM 0 H THR A 17 -18.619 -0.261 -21.771 1.00 0.00 H new ATOM 0 HA THR A 17 -17.063 0.282 -24.123 1.00 0.00 H new ATOM 0 HB THR A 17 -18.862 2.015 -22.440 1.00 0.00 H new ATOM 0 HG1 THR A 17 -20.055 0.202 -23.163 1.00 0.00 H new ATOM 0 HG21 THR A 17 -19.387 3.244 -24.549 1.00 0.00 H new ATOM 0 HG22 THR A 17 -17.671 3.369 -24.095 1.00 0.00 H new ATOM 0 HG23 THR A 17 -18.169 2.262 -25.397 1.00 0.00 H new ATOM 255 N LEU A 18 -16.091 2.163 -21.537 1.00 0.00 N ATOM 256 CA LEU A 18 -14.857 2.824 -20.994 1.00 0.00 C ATOM 257 C LEU A 18 -13.714 1.928 -20.405 1.00 0.00 C ATOM 258 O LEU A 18 -12.663 2.445 -20.018 1.00 0.00 O ATOM 259 CB LEU A 18 -15.230 4.042 -20.095 1.00 0.00 C ATOM 260 CG LEU A 18 -15.580 3.814 -18.593 1.00 0.00 C ATOM 261 CD1 LEU A 18 -15.717 5.164 -17.860 1.00 0.00 C ATOM 262 CD2 LEU A 18 -16.854 2.981 -18.367 1.00 0.00 C ATOM 0 H LEU A 18 -16.908 2.249 -20.933 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.352 3.175 -21.894 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.395 4.742 -20.132 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.084 4.538 -20.557 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.750 3.238 -18.184 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -15.961 4.986 -16.813 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.776 5.711 -17.925 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.510 5.751 -18.323 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.029 2.867 -17.297 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.705 3.487 -18.822 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.731 1.998 -18.821 1.00 0.00 H new ATOM 274 N GLU A 19 -13.898 0.600 -20.413 1.00 0.00 N ATOM 275 CA GLU A 19 -12.815 -0.402 -20.232 1.00 0.00 C ATOM 276 C GLU A 19 -11.949 -0.560 -21.521 1.00 0.00 C ATOM 277 O GLU A 19 -10.733 -0.366 -21.453 1.00 0.00 O ATOM 278 CB GLU A 19 -13.456 -1.724 -19.742 1.00 0.00 C ATOM 279 CG GLU A 19 -12.489 -2.862 -19.364 1.00 0.00 C ATOM 280 CD GLU A 19 -13.232 -4.151 -18.997 1.00 0.00 C ATOM 281 OE1 GLU A 19 -13.608 -4.912 -19.915 1.00 0.00 O ATOM 282 OE2 GLU A 19 -13.448 -4.405 -17.791 1.00 0.00 O ATOM 0 H GLU A 19 -14.816 0.176 -20.547 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.109 -0.065 -19.473 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.075 -1.501 -18.873 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.123 -2.089 -20.523 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.816 -3.057 -20.199 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.871 -2.548 -18.523 1.00 0.00 H new ATOM 289 N ASP A 20 -12.573 -0.883 -22.678 1.00 0.00 N ATOM 290 CA ASP A 20 -11.892 -0.918 -24.002 1.00 0.00 C ATOM 291 C ASP A 20 -11.323 0.460 -24.471 1.00 0.00 C ATOM 292 O ASP A 20 -10.164 0.504 -24.887 1.00 0.00 O ATOM 293 CB ASP A 20 -12.865 -1.566 -25.026 1.00 0.00 C ATOM 294 CG ASP A 20 -12.244 -1.911 -26.389 1.00 0.00 C ATOM 295 OD1 ASP A 20 -11.335 -2.769 -26.443 1.00 0.00 O ATOM 296 OD2 ASP A 20 -12.663 -1.321 -27.409 1.00 0.00 O ATOM 0 H ASP A 20 -13.562 -1.127 -22.724 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.993 -1.528 -23.915 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.273 -2.477 -24.589 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.703 -0.887 -25.187 1.00 0.00 H new ATOM 301 N LYS A 21 -12.091 1.570 -24.373 1.00 0.00 N ATOM 302 CA LYS A 21 -11.593 2.943 -24.652 1.00 0.00 C ATOM 303 C LYS A 21 -10.340 3.387 -23.832 1.00 0.00 C ATOM 304 O LYS A 21 -9.386 3.879 -24.439 1.00 0.00 O ATOM 305 CB LYS A 21 -12.781 3.938 -24.501 1.00 0.00 C ATOM 306 CG LYS A 21 -12.625 5.284 -25.241 1.00 0.00 C ATOM 307 CD LYS A 21 -12.619 5.218 -26.787 1.00 0.00 C ATOM 308 CE LYS A 21 -13.977 4.979 -27.480 1.00 0.00 C ATOM 309 NZ LYS A 21 -14.410 3.569 -27.473 1.00 0.00 N ATOM 0 H LYS A 21 -13.073 1.542 -24.099 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.219 2.943 -25.676 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.687 3.450 -24.860 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.927 4.142 -23.440 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.436 5.942 -24.930 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.695 5.748 -24.914 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.205 6.153 -27.165 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.939 4.422 -27.090 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.737 5.585 -26.987 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.913 5.325 -28.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.002 3.384 -28.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.575 2.949 -27.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.959 3.379 -26.610 1.00 0.00 H new ATOM 323 N ALA A 22 -10.316 3.174 -22.498 1.00 0.00 N ATOM 324 CA ALA A 22 -9.090 3.360 -21.670 1.00 0.00 C ATOM 325 C ALA A 22 -7.878 2.424 -21.976 1.00 0.00 C ATOM 326 O ALA A 22 -6.739 2.864 -21.811 1.00 0.00 O ATOM 327 CB ALA A 22 -9.476 3.248 -20.187 1.00 0.00 C ATOM 0 H ALA A 22 -11.131 2.872 -21.964 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.721 4.350 -21.936 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.588 3.382 -19.569 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.208 4.018 -19.942 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.906 2.265 -19.996 1.00 0.00 H new ATOM 333 N ARG A 23 -8.100 1.172 -22.435 1.00 0.00 N ATOM 334 CA ARG A 23 -7.023 0.282 -22.957 1.00 0.00 C ATOM 335 C ARG A 23 -6.290 0.840 -24.222 1.00 0.00 C ATOM 336 O ARG A 23 -5.057 0.889 -24.220 1.00 0.00 O ATOM 337 CB ARG A 23 -7.626 -1.134 -23.172 1.00 0.00 C ATOM 338 CG ARG A 23 -6.582 -2.246 -23.406 1.00 0.00 C ATOM 339 CD ARG A 23 -7.232 -3.624 -23.621 1.00 0.00 C ATOM 340 NE ARG A 23 -6.206 -4.679 -23.798 1.00 0.00 N ATOM 341 CZ ARG A 23 -6.480 -5.962 -24.108 1.00 0.00 C ATOM 342 NH1 ARG A 23 -7.709 -6.435 -24.308 1.00 0.00 N ATOM 343 NH2 ARG A 23 -5.467 -6.801 -24.224 1.00 0.00 N ATOM 0 H ARG A 23 -9.026 0.745 -22.457 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.226 0.230 -22.216 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.227 -1.395 -22.301 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.301 -1.101 -24.027 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.975 -1.994 -24.276 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.908 -2.294 -22.550 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.865 -3.868 -22.767 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.879 -3.591 -24.498 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.228 -4.417 -23.677 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.514 -5.813 -24.229 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.845 -7.419 -24.540 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.513 -6.471 -24.080 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.639 -7.779 -24.458 1.00 0.00 H new ATOM 357 N GLU A 24 -7.030 1.285 -25.260 1.00 0.00 N ATOM 358 CA GLU A 24 -6.447 1.999 -26.434 1.00 0.00 C ATOM 359 C GLU A 24 -5.805 3.389 -26.117 1.00 0.00 C ATOM 360 O GLU A 24 -4.762 3.695 -26.699 1.00 0.00 O ATOM 361 CB GLU A 24 -7.493 2.138 -27.579 1.00 0.00 C ATOM 362 CG GLU A 24 -7.842 0.855 -28.371 1.00 0.00 C ATOM 363 CD GLU A 24 -8.876 -0.059 -27.708 1.00 0.00 C ATOM 364 OE1 GLU A 24 -10.089 0.207 -27.854 1.00 0.00 O ATOM 365 OE2 GLU A 24 -8.485 -1.041 -27.040 1.00 0.00 O ATOM 0 H GLU A 24 -8.041 1.165 -25.315 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.621 1.365 -26.756 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.414 2.533 -27.150 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.125 2.883 -28.285 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.213 1.144 -29.354 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.926 0.285 -28.531 1.00 0.00 H new ATOM 372 N LEU A 25 -6.394 4.213 -25.222 1.00 0.00 N ATOM 373 CA LEU A 25 -5.818 5.529 -24.815 1.00 0.00 C ATOM 374 C LEU A 25 -4.514 5.426 -23.964 1.00 0.00 C ATOM 375 O LEU A 25 -3.551 6.129 -24.274 1.00 0.00 O ATOM 376 CB LEU A 25 -6.888 6.389 -24.082 1.00 0.00 C ATOM 377 CG LEU A 25 -8.084 6.908 -24.933 1.00 0.00 C ATOM 378 CD1 LEU A 25 -9.224 7.407 -24.023 1.00 0.00 C ATOM 379 CD2 LEU A 25 -7.680 8.019 -25.924 1.00 0.00 C ATOM 0 H LEU A 25 -7.276 3.993 -24.760 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.522 6.021 -25.742 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.290 5.799 -23.258 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.386 7.251 -23.642 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.431 6.060 -25.523 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.050 7.765 -24.638 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.570 6.589 -23.391 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.859 8.220 -23.396 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.556 8.340 -26.488 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.273 8.867 -25.374 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.926 7.637 -26.612 1.00 0.00 H new ATOM 391 N ILE A 26 -4.467 4.572 -22.921 1.00 0.00 N ATOM 392 CA ILE A 26 -3.269 4.402 -22.039 1.00 0.00 C ATOM 393 C ILE A 26 -2.100 3.677 -22.788 1.00 0.00 C ATOM 394 O ILE A 26 -0.986 4.199 -22.745 1.00 0.00 O ATOM 395 CB ILE A 26 -3.669 3.776 -20.654 1.00 0.00 C ATOM 396 CG1 ILE A 26 -4.619 4.728 -19.859 1.00 0.00 C ATOM 397 CG2 ILE A 26 -2.445 3.418 -19.768 1.00 0.00 C ATOM 398 CD1 ILE A 26 -5.354 4.088 -18.680 1.00 0.00 C ATOM 0 H ILE A 26 -5.252 3.976 -22.658 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.864 5.384 -21.795 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.188 2.847 -20.891 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.034 5.569 -19.487 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.359 5.134 -20.549 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.790 2.990 -18.827 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.819 2.693 -20.288 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.866 4.319 -19.567 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.986 4.833 -18.197 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.973 3.266 -19.040 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.628 3.708 -17.962 1.00 0.00 H new ATOM 410 N SER A 27 -2.327 2.523 -23.461 1.00 0.00 N ATOM 411 CA SER A 27 -1.298 1.863 -24.314 1.00 0.00 C ATOM 412 C SER A 27 -1.254 2.552 -25.713 1.00 0.00 C ATOM 413 O SER A 27 -1.975 2.174 -26.640 1.00 0.00 O ATOM 414 CB SER A 27 -1.575 0.345 -24.407 1.00 0.00 C ATOM 415 OG SER A 27 -1.481 -0.275 -23.128 1.00 0.00 O ATOM 0 H SER A 27 -3.217 2.025 -23.432 1.00 0.00 H new ATOM 0 HA SER A 27 -0.312 1.977 -23.863 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.569 0.179 -24.822 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.862 -0.116 -25.091 1.00 0.00 H new ATOM 0 HG SER A 27 -1.662 -1.234 -23.215 1.00 0.00 H new ATOM 421 N ARG A 28 -0.428 3.614 -25.783 1.00 0.00 N ATOM 422 CA ARG A 28 -0.530 4.756 -26.749 1.00 0.00 C ATOM 423 C ARG A 28 0.151 5.975 -26.041 1.00 0.00 C ATOM 424 O ARG A 28 1.177 6.466 -26.520 1.00 0.00 O ATOM 425 CB ARG A 28 -1.949 5.106 -27.299 1.00 0.00 C ATOM 426 CG ARG A 28 -2.058 6.290 -28.287 1.00 0.00 C ATOM 427 CD ARG A 28 -3.505 6.617 -28.705 1.00 0.00 C ATOM 428 NE ARG A 28 -4.107 5.563 -29.565 1.00 0.00 N ATOM 429 CZ ARG A 28 -5.427 5.321 -29.678 1.00 0.00 C ATOM 430 NH1 ARG A 28 -6.371 6.000 -29.029 1.00 0.00 N ATOM 431 NH2 ARG A 28 -5.809 4.348 -30.484 1.00 0.00 N ATOM 0 H ARG A 28 0.364 3.716 -25.149 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.028 4.458 -27.670 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.347 4.219 -27.791 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.597 5.317 -26.448 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.612 7.174 -27.831 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.474 6.062 -29.179 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.117 6.744 -27.812 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.519 7.567 -29.239 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.472 4.980 -30.110 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.111 6.758 -28.398 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.354 5.762 -29.163 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.112 3.807 -30.997 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.801 4.137 -30.594 1.00 0.00 H new ATOM 445 N ILE A 29 -0.413 6.440 -24.900 1.00 0.00 N ATOM 446 CA ILE A 29 0.169 7.496 -24.022 1.00 0.00 C ATOM 447 C ILE A 29 1.444 6.917 -23.322 1.00 0.00 C ATOM 448 O ILE A 29 2.546 7.135 -23.833 1.00 0.00 O ATOM 449 CB ILE A 29 -0.990 8.099 -23.136 1.00 0.00 C ATOM 450 CG1 ILE A 29 -2.010 8.932 -23.980 1.00 0.00 C ATOM 451 CG2 ILE A 29 -0.500 8.955 -21.944 1.00 0.00 C ATOM 452 CD1 ILE A 29 -3.342 9.282 -23.291 1.00 0.00 C ATOM 0 H ILE A 29 -1.305 6.087 -24.553 1.00 0.00 H new ATOM 0 HA ILE A 29 0.557 8.368 -24.548 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.487 7.221 -22.724 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.526 9.861 -24.281 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.232 8.378 -24.892 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.359 9.330 -21.388 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.118 8.344 -21.287 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.087 9.795 -22.316 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.964 9.860 -23.974 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.861 8.364 -23.015 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.145 9.870 -22.395 1.00 0.00 H new ATOM 464 N LYS A 30 1.308 6.202 -22.183 1.00 0.00 N ATOM 465 CA LYS A 30 2.456 5.701 -21.359 1.00 0.00 C ATOM 466 C LYS A 30 3.517 6.740 -20.828 1.00 0.00 C ATOM 467 O LYS A 30 4.580 6.347 -20.337 1.00 0.00 O ATOM 468 CB LYS A 30 3.128 4.449 -22.008 1.00 0.00 C ATOM 469 CG LYS A 30 2.225 3.233 -22.344 1.00 0.00 C ATOM 470 CD LYS A 30 1.447 2.590 -21.175 1.00 0.00 C ATOM 471 CE LYS A 30 2.332 1.945 -20.093 1.00 0.00 C ATOM 472 NZ LYS A 30 1.515 1.323 -19.035 1.00 0.00 N ATOM 0 H LYS A 30 0.398 5.949 -21.798 1.00 0.00 H new ATOM 0 HA LYS A 30 1.958 5.418 -20.431 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.613 4.770 -22.930 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.915 4.106 -21.336 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.504 3.546 -23.099 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.849 2.464 -22.799 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.823 3.352 -20.708 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.776 1.831 -21.577 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.976 1.193 -20.548 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.984 2.701 -19.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.139 0.897 -18.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.918 2.047 -18.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.911 0.586 -19.451 1.00 0.00 H new ATOM 486 N GLN A 31 3.233 8.051 -20.928 1.00 0.00 N ATOM 487 CA GLN A 31 4.245 9.146 -20.841 1.00 0.00 C ATOM 488 C GLN A 31 3.666 10.476 -20.282 1.00 0.00 C ATOM 489 O GLN A 31 4.313 11.138 -19.466 1.00 0.00 O ATOM 490 CB GLN A 31 4.979 9.404 -22.189 1.00 0.00 C ATOM 491 CG GLN A 31 5.955 8.297 -22.643 1.00 0.00 C ATOM 492 CD GLN A 31 6.604 8.568 -24.007 1.00 0.00 C ATOM 493 OE1 GLN A 31 6.004 8.332 -25.057 1.00 0.00 O ATOM 494 NE2 GLN A 31 7.834 9.059 -24.028 1.00 0.00 N ATOM 0 H GLN A 31 2.284 8.396 -21.074 1.00 0.00 H new ATOM 0 HA GLN A 31 4.980 8.780 -20.124 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.230 9.544 -22.968 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.532 10.339 -22.107 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.739 8.186 -21.893 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.420 7.349 -22.687 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.322 9.251 -23.153 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.294 9.245 -24.919 1.00 0.00 H new ATOM 503 N SER A 32 2.484 10.873 -20.771 1.00 0.00 N ATOM 504 CA SER A 32 1.819 12.152 -20.403 1.00 0.00 C ATOM 505 C SER A 32 0.550 11.857 -19.563 1.00 0.00 C ATOM 506 O SER A 32 -0.486 11.457 -20.103 1.00 0.00 O ATOM 507 CB SER A 32 1.520 12.947 -21.694 1.00 0.00 C ATOM 508 OG SER A 32 0.975 14.224 -21.386 1.00 0.00 O ATOM 0 H SER A 32 1.949 10.318 -21.439 1.00 0.00 H new ATOM 0 HA SER A 32 2.469 12.768 -19.781 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.436 13.067 -22.273 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.821 12.389 -22.317 1.00 0.00 H new ATOM 0 HG SER A 32 0.794 14.712 -22.217 1.00 0.00 H new ATOM 514 N GLU A 33 0.648 12.060 -18.233 1.00 0.00 N ATOM 515 CA GLU A 33 -0.448 11.767 -17.255 1.00 0.00 C ATOM 516 C GLU A 33 -0.683 10.268 -16.861 1.00 0.00 C ATOM 517 O GLU A 33 -1.239 10.019 -15.786 1.00 0.00 O ATOM 518 CB GLU A 33 -1.747 12.581 -17.527 1.00 0.00 C ATOM 519 CG GLU A 33 -2.681 12.802 -16.317 1.00 0.00 C ATOM 520 CD GLU A 33 -3.894 13.671 -16.660 1.00 0.00 C ATOM 521 OE1 GLU A 33 -4.931 13.119 -17.090 1.00 0.00 O ATOM 522 OE2 GLU A 33 -3.815 14.909 -16.504 1.00 0.00 O ATOM 0 H GLU A 33 1.489 12.433 -17.794 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.039 12.152 -16.321 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.463 13.556 -17.923 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.313 12.072 -18.308 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.024 11.836 -15.946 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.119 13.272 -15.510 1.00 0.00 H new ATOM 529 N LEU A 34 -0.191 9.278 -17.639 1.00 0.00 N ATOM 530 CA LEU A 34 0.144 7.931 -17.087 1.00 0.00 C ATOM 531 C LEU A 34 1.415 8.003 -16.191 1.00 0.00 C ATOM 532 O LEU A 34 1.388 7.515 -15.057 1.00 0.00 O ATOM 533 CB LEU A 34 0.255 6.875 -18.229 1.00 0.00 C ATOM 534 CG LEU A 34 0.536 5.378 -17.876 1.00 0.00 C ATOM 535 CD1 LEU A 34 2.007 5.059 -17.525 1.00 0.00 C ATOM 536 CD2 LEU A 34 -0.401 4.797 -16.800 1.00 0.00 C ATOM 0 H LEU A 34 -0.016 9.376 -18.639 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.669 7.599 -16.442 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.677 6.907 -18.794 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.047 7.205 -18.902 1.00 0.00 H new ATOM 0 HG LEU A 34 0.316 4.875 -18.818 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.104 3.998 -17.295 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.645 5.306 -18.373 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.310 5.647 -16.659 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.139 3.755 -16.614 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.295 5.368 -15.878 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.433 4.856 -17.146 1.00 0.00 H new ATOM 548 N SER A 35 2.498 8.630 -16.697 1.00 0.00 N ATOM 549 CA SER A 35 3.697 8.942 -15.901 1.00 0.00 C ATOM 550 C SER A 35 3.468 10.297 -15.166 1.00 0.00 C ATOM 551 O SER A 35 2.560 10.364 -14.330 1.00 0.00 O ATOM 552 CB SER A 35 4.904 8.808 -16.855 1.00 0.00 C ATOM 553 OG SER A 35 6.121 9.086 -16.186 1.00 0.00 O ATOM 0 H SER A 35 2.563 8.933 -17.669 1.00 0.00 H new ATOM 0 HA SER A 35 3.912 8.259 -15.079 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.935 7.799 -17.267 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.784 9.492 -17.695 1.00 0.00 H new ATOM 0 HG SER A 35 5.945 9.230 -15.233 1.00 0.00 H new ATOM 559 N ALA A 36 4.308 11.329 -15.403 1.00 0.00 N ATOM 560 CA ALA A 36 4.507 12.487 -14.462 1.00 0.00 C ATOM 561 C ALA A 36 5.117 12.152 -13.060 1.00 0.00 C ATOM 562 O ALA A 36 6.038 12.843 -12.618 1.00 0.00 O ATOM 563 CB ALA A 36 3.263 13.384 -14.342 1.00 0.00 C ATOM 0 H ALA A 36 4.874 11.396 -16.249 1.00 0.00 H new ATOM 0 HA ALA A 36 5.292 13.057 -14.959 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.469 14.201 -13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.013 13.792 -15.321 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.425 12.795 -13.970 1.00 0.00 H new ATOM 569 N LYS A 37 4.597 11.117 -12.374 1.00 0.00 N ATOM 570 CA LYS A 37 5.203 10.536 -11.141 1.00 0.00 C ATOM 571 C LYS A 37 6.296 9.460 -11.425 1.00 0.00 C ATOM 572 O LYS A 37 7.313 9.471 -10.726 1.00 0.00 O ATOM 573 CB LYS A 37 4.109 9.982 -10.186 1.00 0.00 C ATOM 574 CG LYS A 37 3.101 11.002 -9.596 1.00 0.00 C ATOM 575 CD LYS A 37 3.683 12.195 -8.800 1.00 0.00 C ATOM 576 CE LYS A 37 4.491 11.808 -7.546 1.00 0.00 C ATOM 577 NZ LYS A 37 4.966 13.000 -6.823 1.00 0.00 N ATOM 0 H LYS A 37 3.735 10.649 -12.656 1.00 0.00 H new ATOM 0 HA LYS A 37 5.717 11.360 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.544 9.221 -10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.607 9.481 -9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.506 11.402 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.418 10.461 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.325 12.776 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.863 12.846 -8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.871 11.203 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.343 11.193 -7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.506 12.705 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.577 13.564 -7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.151 13.573 -6.526 1.00 0.00 H new ATOM 591 N MET A 38 6.147 8.573 -12.441 1.00 0.00 N ATOM 592 CA MET A 38 7.283 7.769 -12.979 1.00 0.00 C ATOM 593 C MET A 38 8.471 8.611 -13.557 1.00 0.00 C ATOM 594 O MET A 38 9.598 8.130 -13.443 1.00 0.00 O ATOM 595 CB MET A 38 6.816 6.682 -13.989 1.00 0.00 C ATOM 596 CG MET A 38 5.824 5.625 -13.465 1.00 0.00 C ATOM 597 SD MET A 38 6.504 4.739 -12.039 1.00 0.00 S ATOM 598 CE MET A 38 7.606 3.545 -12.826 1.00 0.00 C ATOM 0 H MET A 38 5.257 8.394 -12.905 1.00 0.00 H new ATOM 0 HA MET A 38 7.688 7.265 -12.101 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.358 7.185 -14.841 1.00 0.00 H new ATOM 0 HB3 MET A 38 7.699 6.163 -14.362 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.888 6.108 -13.184 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.590 4.916 -14.259 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.088 2.936 -12.061 1.00 0.00 H new ATOM 0 HE2 MET A 38 7.030 2.902 -13.492 1.00 0.00 H new ATOM 0 HE3 MET A 38 8.366 4.075 -13.400 1.00 0.00 H new ATOM 608 N ARG A 39 8.284 9.849 -14.087 1.00 0.00 N ATOM 609 CA ARG A 39 9.409 10.814 -14.273 1.00 0.00 C ATOM 610 C ARG A 39 9.621 11.558 -12.921 1.00 0.00 C ATOM 611 O ARG A 39 8.724 12.263 -12.456 1.00 0.00 O ATOM 612 CB ARG A 39 9.144 11.804 -15.446 1.00 0.00 C ATOM 613 CG ARG A 39 9.590 11.325 -16.847 1.00 0.00 C ATOM 614 CD ARG A 39 8.710 10.231 -17.474 1.00 0.00 C ATOM 615 NE ARG A 39 9.261 9.758 -18.765 1.00 0.00 N ATOM 616 CZ ARG A 39 8.748 8.740 -19.482 1.00 0.00 C ATOM 617 NH1 ARG A 39 7.665 8.052 -19.126 1.00 0.00 N ATOM 618 NH2 ARG A 39 9.356 8.405 -20.603 1.00 0.00 N ATOM 0 H ARG A 39 7.377 10.203 -14.391 1.00 0.00 H new ATOM 0 HA ARG A 39 10.316 10.276 -14.549 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.076 12.020 -15.480 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.652 12.743 -15.225 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.609 12.184 -17.518 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.612 10.952 -16.778 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.627 9.391 -16.784 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.703 10.618 -17.628 1.00 0.00 H new ATOM 0 HE ARG A 39 10.083 10.235 -19.135 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.172 8.286 -18.264 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.328 7.291 -19.715 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.189 8.912 -20.903 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.994 7.639 -21.170 1.00 0.00 H new ATOM 632 N GLU A 40 10.794 11.329 -12.299 1.00 0.00 N ATOM 633 CA GLU A 40 11.034 11.402 -10.813 1.00 0.00 C ATOM 634 C GLU A 40 11.680 10.043 -10.404 1.00 0.00 C ATOM 635 O GLU A 40 12.835 10.026 -9.965 1.00 0.00 O ATOM 636 CB GLU A 40 9.896 11.793 -9.819 1.00 0.00 C ATOM 637 CG GLU A 40 9.600 13.305 -9.705 1.00 0.00 C ATOM 638 CD GLU A 40 8.276 13.582 -8.987 1.00 0.00 C ATOM 639 OE1 GLU A 40 7.213 13.542 -9.645 1.00 0.00 O ATOM 640 OE2 GLU A 40 8.291 13.836 -7.762 1.00 0.00 O ATOM 0 H GLU A 40 11.637 11.079 -12.817 1.00 0.00 H new ATOM 0 HA GLU A 40 11.660 12.287 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.981 11.284 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.157 11.416 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.412 13.793 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.569 13.744 -10.702 1.00 0.00 H new ATOM 647 N TRP A 41 10.962 8.908 -10.580 1.00 0.00 N ATOM 648 CA TRP A 41 11.556 7.545 -10.519 1.00 0.00 C ATOM 649 C TRP A 41 12.639 7.254 -11.614 1.00 0.00 C ATOM 650 O TRP A 41 13.635 6.629 -11.260 1.00 0.00 O ATOM 651 CB TRP A 41 10.391 6.514 -10.510 1.00 0.00 C ATOM 652 CG TRP A 41 10.791 5.037 -10.403 1.00 0.00 C ATOM 653 CD1 TRP A 41 10.873 4.271 -9.225 1.00 0.00 C ATOM 654 CD2 TRP A 41 11.144 4.181 -11.432 1.00 0.00 C ATOM 655 NE1 TRP A 41 11.268 2.946 -9.492 1.00 0.00 N ATOM 656 CE2 TRP A 41 11.429 2.913 -10.868 1.00 0.00 C ATOM 657 CE3 TRP A 41 11.280 4.397 -12.829 1.00 0.00 C ATOM 658 CZ2 TRP A 41 11.837 1.843 -11.701 1.00 0.00 C ATOM 659 CZ3 TRP A 41 11.684 3.326 -13.627 1.00 0.00 C ATOM 660 CH2 TRP A 41 11.957 2.070 -13.073 1.00 0.00 C ATOM 0 H TRP A 41 9.959 8.908 -10.768 1.00 0.00 H new ATOM 0 HA TRP A 41 12.130 7.460 -9.597 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.731 6.751 -9.676 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.810 6.646 -11.423 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.659 4.653 -8.238 1.00 0.00 H new ATOM 0 HE1 TRP A 41 11.404 2.186 -8.826 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.076 5.365 -13.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.051 0.870 -11.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 11.788 3.469 -14.692 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.266 1.262 -13.719 1.00 0.00 H new ATOM 671 N PHE A 42 12.475 7.652 -12.897 1.00 0.00 N ATOM 672 CA PHE A 42 13.536 7.481 -13.946 1.00 0.00 C ATOM 673 C PHE A 42 14.838 8.305 -13.686 1.00 0.00 C ATOM 674 O PHE A 42 15.924 7.823 -14.012 1.00 0.00 O ATOM 675 CB PHE A 42 12.999 7.816 -15.373 1.00 0.00 C ATOM 676 CG PHE A 42 12.054 6.794 -16.035 1.00 0.00 C ATOM 677 CD1 PHE A 42 12.560 5.601 -16.565 1.00 0.00 C ATOM 678 CD2 PHE A 42 10.693 7.077 -16.182 1.00 0.00 C ATOM 679 CE1 PHE A 42 11.709 4.690 -17.188 1.00 0.00 C ATOM 680 CE2 PHE A 42 9.840 6.160 -16.791 1.00 0.00 C ATOM 681 CZ PHE A 42 10.349 4.965 -17.288 1.00 0.00 C ATOM 0 H PHE A 42 11.623 8.094 -13.241 1.00 0.00 H new ATOM 0 HA PHE A 42 13.804 6.426 -13.885 1.00 0.00 H new ATOM 0 HB2 PHE A 42 12.477 8.772 -15.320 1.00 0.00 H new ATOM 0 HB3 PHE A 42 13.857 7.957 -16.031 1.00 0.00 H new ATOM 0 HD1 PHE A 42 13.616 5.386 -16.491 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.299 8.015 -15.820 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.105 3.771 -17.593 1.00 0.00 H new ATOM 0 HE2 PHE A 42 8.785 6.376 -16.877 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.687 4.249 -17.753 1.00 0.00 H new ATOM 691 N SER A 43 14.731 9.514 -13.100 1.00 0.00 N ATOM 692 CA SER A 43 15.909 10.304 -12.633 1.00 0.00 C ATOM 693 C SER A 43 16.690 9.713 -11.412 1.00 0.00 C ATOM 694 O SER A 43 17.922 9.777 -11.404 1.00 0.00 O ATOM 695 CB SER A 43 15.505 11.779 -12.409 1.00 0.00 C ATOM 696 OG SER A 43 14.571 11.933 -11.346 1.00 0.00 O ATOM 0 H SER A 43 13.837 9.976 -12.934 1.00 0.00 H new ATOM 0 HA SER A 43 16.637 10.241 -13.442 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.397 12.368 -12.193 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.074 12.178 -13.327 1.00 0.00 H new ATOM 0 HG SER A 43 14.165 11.065 -11.139 1.00 0.00 H new ATOM 702 N GLU A 44 15.997 9.125 -10.415 1.00 0.00 N ATOM 703 CA GLU A 44 16.632 8.323 -9.328 1.00 0.00 C ATOM 704 C GLU A 44 17.185 6.942 -9.818 1.00 0.00 C ATOM 705 O GLU A 44 18.367 6.649 -9.617 1.00 0.00 O ATOM 706 CB GLU A 44 15.603 8.215 -8.162 1.00 0.00 C ATOM 707 CG GLU A 44 16.059 7.488 -6.878 1.00 0.00 C ATOM 708 CD GLU A 44 17.224 8.160 -6.142 1.00 0.00 C ATOM 709 OE1 GLU A 44 16.979 9.084 -5.335 1.00 0.00 O ATOM 710 OE2 GLU A 44 18.390 7.768 -6.370 1.00 0.00 O ATOM 0 H GLU A 44 14.982 9.188 -10.333 1.00 0.00 H new ATOM 0 HA GLU A 44 17.528 8.829 -8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.298 9.225 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.717 7.706 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.211 7.415 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.349 6.470 -7.137 1.00 0.00 H new ATOM 717 N THR A 45 16.334 6.124 -10.465 1.00 0.00 N ATOM 718 CA THR A 45 16.705 4.818 -11.090 1.00 0.00 C ATOM 719 C THR A 45 17.130 5.041 -12.588 1.00 0.00 C ATOM 720 O THR A 45 16.474 4.619 -13.546 1.00 0.00 O ATOM 721 CB THR A 45 15.460 3.897 -10.961 1.00 0.00 C ATOM 722 OG1 THR A 45 14.926 3.876 -9.637 1.00 0.00 O ATOM 723 CG2 THR A 45 15.666 2.435 -11.372 1.00 0.00 C ATOM 0 H THR A 45 15.345 6.348 -10.576 1.00 0.00 H new ATOM 0 HA THR A 45 17.559 4.355 -10.596 1.00 0.00 H new ATOM 0 HB THR A 45 14.771 4.358 -11.668 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.145 3.285 -9.609 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.734 1.886 -11.242 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.970 2.390 -12.418 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.441 1.988 -10.749 1.00 0.00 H new ATOM 731 N PHE A 46 18.249 5.751 -12.744 1.00 0.00 N ATOM 732 CA PHE A 46 18.762 6.222 -14.060 1.00 0.00 C ATOM 733 C PHE A 46 19.696 5.174 -14.727 1.00 0.00 C ATOM 734 O PHE A 46 19.344 4.682 -15.801 1.00 0.00 O ATOM 735 CB PHE A 46 19.368 7.646 -13.886 1.00 0.00 C ATOM 736 CG PHE A 46 19.759 8.358 -15.192 1.00 0.00 C ATOM 737 CD1 PHE A 46 18.786 8.995 -15.970 1.00 0.00 C ATOM 738 CD2 PHE A 46 21.095 8.382 -15.612 1.00 0.00 C ATOM 739 CE1 PHE A 46 19.142 9.638 -17.152 1.00 0.00 C ATOM 740 CE2 PHE A 46 21.449 9.032 -16.791 1.00 0.00 C ATOM 741 CZ PHE A 46 20.473 9.657 -17.562 1.00 0.00 C ATOM 0 H PHE A 46 18.841 6.025 -11.960 1.00 0.00 H new ATOM 0 HA PHE A 46 17.946 6.318 -14.776 1.00 0.00 H new ATOM 0 HB2 PHE A 46 18.647 8.267 -13.355 1.00 0.00 H new ATOM 0 HB3 PHE A 46 20.252 7.572 -13.253 1.00 0.00 H new ATOM 0 HD1 PHE A 46 17.754 8.988 -15.652 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.854 7.894 -15.018 1.00 0.00 H new ATOM 0 HE1 PHE A 46 18.386 10.123 -17.752 1.00 0.00 H new ATOM 0 HE2 PHE A 46 22.481 9.051 -17.108 1.00 0.00 H new ATOM 0 HZ PHE A 46 20.748 10.157 -18.479 1.00 0.00 H new ATOM 751 N GLN A 47 20.845 4.820 -14.113 1.00 0.00 N ATOM 752 CA GLN A 47 21.763 3.764 -14.641 1.00 0.00 C ATOM 753 C GLN A 47 21.168 2.319 -14.706 1.00 0.00 C ATOM 754 O GLN A 47 21.500 1.582 -15.640 1.00 0.00 O ATOM 755 CB GLN A 47 23.094 3.757 -13.839 1.00 0.00 C ATOM 756 CG GLN A 47 23.959 5.034 -13.970 1.00 0.00 C ATOM 757 CD GLN A 47 25.281 4.949 -13.189 1.00 0.00 C ATOM 758 OE1 GLN A 47 26.277 4.416 -13.676 1.00 0.00 O ATOM 759 NE2 GLN A 47 25.320 5.468 -11.970 1.00 0.00 N ATOM 0 H GLN A 47 21.169 5.248 -13.245 1.00 0.00 H new ATOM 0 HA GLN A 47 21.936 4.043 -15.680 1.00 0.00 H new ATOM 0 HB2 GLN A 47 22.862 3.603 -12.785 1.00 0.00 H new ATOM 0 HB3 GLN A 47 23.688 2.902 -14.162 1.00 0.00 H new ATOM 0 HG2 GLN A 47 24.177 5.212 -15.023 1.00 0.00 H new ATOM 0 HG3 GLN A 47 23.388 5.891 -13.613 1.00 0.00 H new ATOM 0 HE21 GLN A 47 24.488 5.908 -11.576 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.182 5.428 -11.426 1.00 0.00 H new ATOM 768 N LYS A 48 20.288 1.927 -13.757 1.00 0.00 N ATOM 769 CA LYS A 48 19.554 0.628 -13.785 1.00 0.00 C ATOM 770 C LYS A 48 18.645 0.429 -15.043 1.00 0.00 C ATOM 771 O LYS A 48 18.757 -0.605 -15.707 1.00 0.00 O ATOM 772 CB LYS A 48 18.723 0.413 -12.484 1.00 0.00 C ATOM 773 CG LYS A 48 19.384 0.667 -11.106 1.00 0.00 C ATOM 774 CD LYS A 48 20.616 -0.205 -10.806 1.00 0.00 C ATOM 775 CE LYS A 48 21.201 0.057 -9.407 1.00 0.00 C ATOM 776 NZ LYS A 48 22.382 -0.785 -9.151 1.00 0.00 N ATOM 0 H LYS A 48 20.062 2.500 -12.944 1.00 0.00 H new ATOM 0 HA LYS A 48 20.334 -0.131 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.844 1.055 -12.548 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.367 -0.617 -12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.677 1.715 -11.048 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.641 0.500 -10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.341 -1.256 -10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.382 -0.015 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.475 1.108 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.441 -0.140 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.752 -0.584 -8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.113 -1.788 -9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.116 -0.578 -9.859 1.00 0.00 H new ATOM 790 N VAL A 49 17.801 1.429 -15.394 1.00 0.00 N ATOM 791 CA VAL A 49 17.050 1.459 -16.688 1.00 0.00 C ATOM 792 C VAL A 49 17.997 1.556 -17.923 1.00 0.00 C ATOM 793 O VAL A 49 17.819 0.767 -18.848 1.00 0.00 O ATOM 794 CB VAL A 49 15.942 2.569 -16.734 1.00 0.00 C ATOM 795 CG1 VAL A 49 15.135 2.612 -18.058 1.00 0.00 C ATOM 796 CG2 VAL A 49 14.916 2.462 -15.581 1.00 0.00 C ATOM 0 H VAL A 49 17.617 2.236 -14.798 1.00 0.00 H new ATOM 0 HA VAL A 49 16.535 0.500 -16.743 1.00 0.00 H new ATOM 0 HB VAL A 49 16.526 3.485 -16.637 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.391 3.407 -18.005 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.812 2.803 -18.891 1.00 0.00 H new ATOM 0 HG13 VAL A 49 14.634 1.656 -18.210 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.179 3.260 -15.674 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.413 1.496 -15.630 1.00 0.00 H new ATOM 0 HG23 VAL A 49 15.432 2.555 -14.625 1.00 0.00 H new ATOM 806 N LYS A 50 18.932 2.528 -17.968 1.00 0.00 N ATOM 807 CA LYS A 50 19.658 2.912 -19.201 1.00 0.00 C ATOM 808 C LYS A 50 20.569 1.842 -19.882 1.00 0.00 C ATOM 809 O LYS A 50 20.659 1.845 -21.113 1.00 0.00 O ATOM 810 CB LYS A 50 20.415 4.213 -18.837 1.00 0.00 C ATOM 811 CG LYS A 50 20.978 5.018 -20.021 1.00 0.00 C ATOM 812 CD LYS A 50 21.564 6.382 -19.599 1.00 0.00 C ATOM 813 CE LYS A 50 23.026 6.387 -19.101 1.00 0.00 C ATOM 814 NZ LYS A 50 23.198 5.845 -17.742 1.00 0.00 N ATOM 0 H LYS A 50 19.207 3.071 -17.149 1.00 0.00 H new ATOM 0 HA LYS A 50 18.924 3.043 -19.996 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.740 4.857 -18.273 1.00 0.00 H new ATOM 0 HB3 LYS A 50 21.240 3.956 -18.173 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.754 4.433 -20.515 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.186 5.180 -20.752 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.492 7.060 -20.449 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.935 6.793 -18.809 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.637 5.806 -19.793 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.403 7.409 -19.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.108 6.164 -17.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.425 6.182 -17.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.183 4.806 -17.778 1.00 0.00 H new ATOM 828 N GLU A 51 21.192 0.917 -19.124 1.00 0.00 N ATOM 829 CA GLU A 51 21.826 -0.312 -19.699 1.00 0.00 C ATOM 830 C GLU A 51 20.860 -1.253 -20.500 1.00 0.00 C ATOM 831 O GLU A 51 21.268 -1.802 -21.528 1.00 0.00 O ATOM 832 CB GLU A 51 22.565 -1.112 -18.587 1.00 0.00 C ATOM 833 CG GLU A 51 23.724 -0.403 -17.844 1.00 0.00 C ATOM 834 CD GLU A 51 24.918 -0.029 -18.728 1.00 0.00 C ATOM 835 OE1 GLU A 51 25.791 -0.893 -18.965 1.00 0.00 O ATOM 836 OE2 GLU A 51 24.987 1.130 -19.193 1.00 0.00 O ATOM 0 H GLU A 51 21.276 0.988 -18.110 1.00 0.00 H new ATOM 0 HA GLU A 51 22.536 0.057 -20.439 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.827 -1.416 -17.845 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.961 -2.023 -19.035 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.338 0.503 -17.377 1.00 0.00 H new ATOM 0 HG3 GLU A 51 24.073 -1.052 -17.041 1.00 0.00 H new ATOM 843 N LYS A 52 19.595 -1.406 -20.055 1.00 0.00 N ATOM 844 CA LYS A 52 18.511 -2.073 -20.832 1.00 0.00 C ATOM 845 C LYS A 52 17.921 -1.189 -21.980 1.00 0.00 C ATOM 846 O LYS A 52 17.680 -1.722 -23.065 1.00 0.00 O ATOM 847 CB LYS A 52 17.372 -2.523 -19.875 1.00 0.00 C ATOM 848 CG LYS A 52 17.782 -3.502 -18.748 1.00 0.00 C ATOM 849 CD LYS A 52 16.633 -3.984 -17.839 1.00 0.00 C ATOM 850 CE LYS A 52 16.079 -2.974 -16.810 1.00 0.00 C ATOM 851 NZ LYS A 52 15.132 -2.001 -17.384 1.00 0.00 N ATOM 0 H LYS A 52 19.288 -1.071 -19.142 1.00 0.00 H new ATOM 0 HA LYS A 52 18.969 -2.937 -21.314 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.936 -1.635 -19.417 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.588 -2.992 -20.470 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.254 -4.374 -19.201 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.536 -3.019 -18.127 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.809 -4.304 -18.477 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.977 -4.865 -17.297 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.583 -3.521 -16.008 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.912 -2.434 -16.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.465 -1.690 -16.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.656 -1.179 -17.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.606 -2.447 -18.163 1.00 0.00 H new ATOM 865 N LEU A 53 17.688 0.124 -21.728 1.00 0.00 N ATOM 866 CA LEU A 53 17.163 1.131 -22.709 1.00 0.00 C ATOM 867 C LEU A 53 15.633 1.354 -22.543 1.00 0.00 C ATOM 868 O LEU A 53 15.233 2.468 -22.191 1.00 0.00 O ATOM 869 CB LEU A 53 17.615 1.035 -24.201 1.00 0.00 C ATOM 870 CG LEU A 53 19.151 1.076 -24.457 1.00 0.00 C ATOM 871 CD1 LEU A 53 19.489 0.541 -25.860 1.00 0.00 C ATOM 872 CD2 LEU A 53 19.751 2.483 -24.263 1.00 0.00 C ATOM 0 H LEU A 53 17.863 0.533 -20.810 1.00 0.00 H new ATOM 0 HA LEU A 53 17.692 2.036 -22.410 1.00 0.00 H new ATOM 0 HB2 LEU A 53 17.222 0.108 -24.619 1.00 0.00 H new ATOM 0 HB3 LEU A 53 17.154 1.854 -24.752 1.00 0.00 H new ATOM 0 HG LEU A 53 19.606 0.427 -23.708 1.00 0.00 H new ATOM 0 HD11 LEU A 53 20.567 0.580 -26.014 1.00 0.00 H new ATOM 0 HD12 LEU A 53 19.147 -0.490 -25.948 1.00 0.00 H new ATOM 0 HD13 LEU A 53 18.992 1.154 -26.612 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.824 2.451 -24.455 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.279 3.179 -24.957 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.575 2.816 -23.240 1.00 0.00 H new ATOM 884 N LYS A 54 14.793 0.330 -22.822 1.00 0.00 N ATOM 885 CA LYS A 54 13.304 0.438 -22.866 1.00 0.00 C ATOM 886 C LYS A 54 12.834 1.212 -24.131 1.00 0.00 C ATOM 887 O LYS A 54 13.038 2.428 -24.237 1.00 0.00 O ATOM 888 CB LYS A 54 12.580 1.000 -21.605 1.00 0.00 C ATOM 889 CG LYS A 54 12.723 0.195 -20.297 1.00 0.00 C ATOM 890 CD LYS A 54 11.896 0.826 -19.156 1.00 0.00 C ATOM 891 CE LYS A 54 12.025 0.080 -17.817 1.00 0.00 C ATOM 892 NZ LYS A 54 11.242 0.739 -16.757 1.00 0.00 N ATOM 0 H LYS A 54 15.129 -0.611 -23.027 1.00 0.00 H new ATOM 0 HA LYS A 54 12.997 -0.607 -22.900 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.950 2.009 -21.424 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.518 1.087 -21.835 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.395 -0.831 -20.462 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.773 0.152 -20.007 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.212 1.860 -19.018 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.847 0.850 -19.449 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.684 -0.948 -17.937 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.074 0.036 -17.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.350 0.212 -15.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.584 1.712 -16.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.238 0.759 -17.028 1.00 0.00 H new ATOM 906 N ILE A 55 12.153 0.513 -25.057 1.00 0.00 N ATOM 907 CA ILE A 55 11.449 1.131 -26.208 1.00 0.00 C ATOM 908 C ILE A 55 10.226 2.032 -25.813 1.00 0.00 C ATOM 909 O ILE A 55 10.128 3.157 -26.311 1.00 0.00 O ATOM 910 CB ILE A 55 11.163 -0.013 -27.245 1.00 0.00 C ATOM 911 CG1 ILE A 55 10.682 0.489 -28.624 1.00 0.00 C ATOM 912 CG2 ILE A 55 10.188 -1.123 -26.758 1.00 0.00 C ATOM 913 CD1 ILE A 55 11.657 1.382 -29.408 1.00 0.00 C ATOM 0 H ILE A 55 12.072 -0.503 -25.032 1.00 0.00 H new ATOM 0 HA ILE A 55 12.084 1.876 -26.687 1.00 0.00 H new ATOM 0 HB ILE A 55 12.152 -0.458 -27.350 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.445 -0.379 -29.239 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.753 1.042 -28.481 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.057 -1.864 -27.547 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.599 -1.605 -25.871 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.223 -0.678 -26.514 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.205 1.669 -30.357 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.878 2.277 -28.827 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.580 0.834 -29.597 1.00 0.00 H new ATOM 925 N ASP A 56 9.334 1.556 -24.917 1.00 0.00 N ATOM 926 CA ASP A 56 8.161 2.329 -24.432 1.00 0.00 C ATOM 927 C ASP A 56 8.567 3.420 -23.386 1.00 0.00 C ATOM 928 O ASP A 56 8.588 4.598 -23.751 1.00 0.00 O ATOM 929 CB ASP A 56 7.077 1.313 -23.972 1.00 0.00 C ATOM 930 CG ASP A 56 5.739 1.943 -23.567 1.00 0.00 C ATOM 931 OD1 ASP A 56 4.949 2.318 -24.460 1.00 0.00 O ATOM 932 OD2 ASP A 56 5.480 2.070 -22.349 1.00 0.00 O ATOM 0 H ASP A 56 9.404 0.625 -24.507 1.00 0.00 H new ATOM 0 HA ASP A 56 7.720 2.926 -25.231 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.899 0.602 -24.779 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.466 0.745 -23.127 1.00 0.00 H new ATOM 937 N SER A 57 8.862 3.043 -22.117 1.00 0.00 N ATOM 938 CA SER A 57 9.156 3.984 -20.999 1.00 0.00 C ATOM 939 C SER A 57 7.882 4.710 -20.507 1.00 0.00 C ATOM 940 O SER A 57 7.320 5.543 -21.253 1.00 0.00 O ATOM 941 CB SER A 57 10.341 4.958 -21.217 1.00 0.00 C ATOM 942 OG SER A 57 11.534 4.255 -21.542 1.00 0.00 O ATOM 943 OXT SER A 57 7.439 4.447 -19.366 1.00 0.00 O ATOM 0 H SER A 57 8.904 2.064 -21.834 1.00 0.00 H new ATOM 0 HA SER A 57 9.513 3.333 -20.201 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.098 5.656 -22.018 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.499 5.550 -20.315 1.00 0.00 H new ATOM 0 HG SER A 57 12.264 4.895 -21.676 1.00 0.00 H new TER 949 SER A 57