USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 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 Single : A 1 THR N :NH3+ -158:sc= -0.335 (180deg=-1.11) 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 17 THR OG1 : rot 67:sc= 0.633 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -10:sc= 0.0998 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 152:sc= 0.268 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 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 159:sc= 0.139 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -149:sc=-0.00983 (180deg=-0.257) USER MOD Single : A 57 SER OG : rot 16:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -26.494 -5.917 -5.614 1.00 0.00 N ATOM 2 CA THR A 1 -26.059 -4.770 -6.447 1.00 0.00 C ATOM 3 C THR A 1 -25.612 -5.073 -7.923 1.00 0.00 C ATOM 4 O THR A 1 -25.979 -4.244 -8.763 1.00 0.00 O ATOM 5 CB THR A 1 -25.144 -3.786 -5.655 1.00 0.00 C ATOM 6 OG1 THR A 1 -25.049 -2.554 -6.361 1.00 0.00 O ATOM 7 CG2 THR A 1 -23.715 -4.260 -5.338 1.00 0.00 C ATOM 0 H1 THR A 1 -27.094 -5.574 -4.837 1.00 0.00 H new ATOM 0 H2 THR A 1 -27.034 -6.586 -6.199 1.00 0.00 H new ATOM 0 H3 THR A 1 -25.659 -6.397 -5.221 1.00 0.00 H new ATOM 0 HA THR A 1 -26.984 -4.233 -6.656 1.00 0.00 H new ATOM 0 HB THR A 1 -25.639 -3.697 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 1 -24.475 -1.935 -5.863 1.00 0.00 H new ATOM 0 HG21 THR A 1 -23.188 -3.482 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 1 -23.758 -5.168 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 1 -23.185 -4.466 -6.268 1.00 0.00 H new ATOM 17 N PRO A 2 -24.853 -6.141 -8.329 1.00 0.00 N ATOM 18 CA PRO A 2 -24.323 -6.280 -9.712 1.00 0.00 C ATOM 19 C PRO A 2 -25.387 -6.896 -10.671 1.00 0.00 C ATOM 20 O PRO A 2 -25.720 -8.082 -10.573 1.00 0.00 O ATOM 21 CB PRO A 2 -23.079 -7.181 -9.482 1.00 0.00 C ATOM 22 CG PRO A 2 -23.425 -8.054 -8.275 1.00 0.00 C ATOM 23 CD PRO A 2 -24.345 -7.181 -7.417 1.00 0.00 C ATOM 0 HA PRO A 2 -24.070 -5.341 -10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -22.868 -7.791 -10.360 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -22.190 -6.581 -9.290 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -23.924 -8.974 -8.581 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -22.529 -8.344 -7.726 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -25.161 -7.767 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -23.802 -6.740 -6.581 1.00 0.00 H new ATOM 31 N ASP A 3 -25.934 -6.051 -11.563 1.00 0.00 N ATOM 32 CA ASP A 3 -27.077 -6.421 -12.443 1.00 0.00 C ATOM 33 C ASP A 3 -26.746 -5.966 -13.885 1.00 0.00 C ATOM 34 O ASP A 3 -26.524 -4.777 -14.150 1.00 0.00 O ATOM 35 CB ASP A 3 -28.395 -5.768 -11.943 1.00 0.00 C ATOM 36 CG ASP A 3 -28.946 -6.345 -10.630 1.00 0.00 C ATOM 37 OD1 ASP A 3 -29.656 -7.374 -10.671 1.00 0.00 O ATOM 38 OD2 ASP A 3 -28.662 -5.776 -9.552 1.00 0.00 O ATOM 0 H ASP A 3 -25.604 -5.096 -11.700 1.00 0.00 H new ATOM 0 HA ASP A 3 -27.226 -7.501 -12.422 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -28.226 -4.699 -11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -29.154 -5.877 -12.718 1.00 0.00 H new ATOM 43 N VAL A 4 -26.732 -6.939 -14.814 1.00 0.00 N ATOM 44 CA VAL A 4 -26.362 -6.714 -16.238 1.00 0.00 C ATOM 45 C VAL A 4 -27.588 -6.208 -17.057 1.00 0.00 C ATOM 46 O VAL A 4 -27.670 -5.017 -17.371 1.00 0.00 O ATOM 47 CB VAL A 4 -25.574 -7.965 -16.782 1.00 0.00 C ATOM 48 CG1 VAL A 4 -26.330 -9.315 -16.916 1.00 0.00 C ATOM 49 CG2 VAL A 4 -24.843 -7.650 -18.103 1.00 0.00 C ATOM 0 H VAL A 4 -26.976 -7.907 -14.606 1.00 0.00 H new ATOM 0 HA VAL A 4 -25.654 -5.893 -16.352 1.00 0.00 H new ATOM 0 HB VAL A 4 -24.873 -8.141 -15.966 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -25.651 -10.075 -17.303 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -26.701 -9.623 -15.938 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -27.169 -9.196 -17.601 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -24.312 -8.538 -18.445 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -25.569 -7.348 -18.858 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -24.131 -6.841 -17.941 1.00 0.00 H new ATOM 59 N SER A 5 -28.509 -7.126 -17.399 1.00 0.00 N ATOM 60 CA SER A 5 -29.641 -6.888 -18.345 1.00 0.00 C ATOM 61 C SER A 5 -29.226 -6.293 -19.732 1.00 0.00 C ATOM 62 O SER A 5 -29.715 -5.233 -20.141 1.00 0.00 O ATOM 63 CB SER A 5 -30.793 -6.140 -17.624 1.00 0.00 C ATOM 64 OG SER A 5 -31.977 -6.144 -18.414 1.00 0.00 O ATOM 0 H SER A 5 -28.497 -8.075 -17.025 1.00 0.00 H new ATOM 0 HA SER A 5 -30.029 -7.863 -18.639 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.992 -6.612 -16.662 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.492 -5.113 -17.419 1.00 0.00 H new ATOM 0 HG SER A 5 -32.689 -5.668 -17.938 1.00 0.00 H new ATOM 70 N SER A 6 -28.293 -6.978 -20.434 1.00 0.00 N ATOM 71 CA SER A 6 -27.661 -6.487 -21.697 1.00 0.00 C ATOM 72 C SER A 6 -26.944 -5.105 -21.544 1.00 0.00 C ATOM 73 O SER A 6 -27.380 -4.104 -22.123 1.00 0.00 O ATOM 74 CB SER A 6 -28.641 -6.560 -22.898 1.00 0.00 C ATOM 75 OG SER A 6 -29.070 -7.896 -23.142 1.00 0.00 O ATOM 0 H SER A 6 -27.950 -7.894 -20.144 1.00 0.00 H new ATOM 0 HA SER A 6 -26.850 -7.178 -21.926 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.508 -5.929 -22.701 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.155 -6.164 -23.790 1.00 0.00 H new ATOM 0 HG SER A 6 -29.687 -7.908 -23.903 1.00 0.00 H new ATOM 81 N ALA A 7 -25.851 -5.050 -20.749 1.00 0.00 N ATOM 82 CA ALA A 7 -25.108 -3.789 -20.480 1.00 0.00 C ATOM 83 C ALA A 7 -24.148 -3.404 -21.640 1.00 0.00 C ATOM 84 O ALA A 7 -24.376 -2.377 -22.286 1.00 0.00 O ATOM 85 CB ALA A 7 -24.407 -3.882 -19.110 1.00 0.00 C ATOM 0 H ALA A 7 -25.460 -5.866 -20.279 1.00 0.00 H new ATOM 0 HA ALA A 7 -25.822 -2.967 -20.432 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -23.864 -2.957 -18.916 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -25.152 -4.036 -18.330 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -23.709 -4.719 -19.115 1.00 0.00 H new ATOM 91 N LEU A 8 -23.120 -4.225 -21.937 1.00 0.00 N ATOM 92 CA LEU A 8 -22.234 -4.044 -23.109 1.00 0.00 C ATOM 93 C LEU A 8 -22.843 -4.390 -24.509 1.00 0.00 C ATOM 94 O LEU A 8 -22.299 -3.919 -25.510 1.00 0.00 O ATOM 95 CB LEU A 8 -20.964 -4.891 -22.820 1.00 0.00 C ATOM 96 CG LEU A 8 -20.001 -4.421 -21.687 1.00 0.00 C ATOM 97 CD1 LEU A 8 -18.852 -5.432 -21.498 1.00 0.00 C ATOM 98 CD2 LEU A 8 -19.419 -3.010 -21.918 1.00 0.00 C ATOM 0 H LEU A 8 -22.879 -5.037 -21.369 1.00 0.00 H new ATOM 0 HA LEU A 8 -22.030 -2.978 -23.209 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -21.288 -5.904 -22.581 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -20.387 -4.950 -23.743 1.00 0.00 H new ATOM 0 HG LEU A 8 -20.607 -4.369 -20.782 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.191 -5.087 -20.703 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -19.264 -6.405 -21.230 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -18.288 -5.520 -22.427 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -18.759 -2.749 -21.091 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -18.855 -2.997 -22.851 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -20.232 -2.286 -21.976 1.00 0.00 H new ATOM 110 N ASP A 9 -23.943 -5.169 -24.607 1.00 0.00 N ATOM 111 CA ASP A 9 -24.671 -5.405 -25.885 1.00 0.00 C ATOM 112 C ASP A 9 -25.505 -4.168 -26.348 1.00 0.00 C ATOM 113 O ASP A 9 -25.296 -3.700 -27.472 1.00 0.00 O ATOM 114 CB ASP A 9 -25.492 -6.717 -25.741 1.00 0.00 C ATOM 115 CG ASP A 9 -26.168 -7.209 -27.029 1.00 0.00 C ATOM 116 OD1 ASP A 9 -25.494 -7.863 -27.855 1.00 0.00 O ATOM 117 OD2 ASP A 9 -27.375 -6.937 -27.217 1.00 0.00 O ATOM 0 H ASP A 9 -24.354 -5.653 -23.809 1.00 0.00 H new ATOM 0 HA ASP A 9 -23.958 -5.537 -26.699 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -24.831 -7.502 -25.374 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.259 -6.565 -24.982 1.00 0.00 H new ATOM 122 N LYS A 10 -26.413 -3.630 -25.501 1.00 0.00 N ATOM 123 CA LYS A 10 -27.164 -2.372 -25.798 1.00 0.00 C ATOM 124 C LYS A 10 -26.244 -1.115 -25.888 1.00 0.00 C ATOM 125 O LYS A 10 -26.246 -0.447 -26.928 1.00 0.00 O ATOM 126 CB LYS A 10 -28.322 -2.153 -24.784 1.00 0.00 C ATOM 127 CG LYS A 10 -29.479 -3.173 -24.870 1.00 0.00 C ATOM 128 CD LYS A 10 -30.552 -2.954 -23.779 1.00 0.00 C ATOM 129 CE LYS A 10 -31.740 -3.936 -23.832 1.00 0.00 C ATOM 130 NZ LYS A 10 -32.643 -3.696 -24.974 1.00 0.00 N ATOM 0 H LYS A 10 -26.649 -4.045 -24.600 1.00 0.00 H new ATOM 0 HA LYS A 10 -27.598 -2.503 -26.789 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -27.909 -2.181 -23.775 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -28.730 -1.153 -24.934 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -29.946 -3.104 -25.852 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.076 -4.182 -24.780 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -30.077 -3.033 -22.801 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -30.935 -1.937 -23.866 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -31.358 -4.955 -23.887 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.309 -3.859 -22.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -33.420 -4.387 -24.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -33.034 -2.734 -24.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -32.113 -3.797 -25.863 1.00 0.00 H new ATOM 144 N LEU A 11 -25.446 -0.821 -24.838 1.00 0.00 N ATOM 145 CA LEU A 11 -24.401 0.232 -24.874 1.00 0.00 C ATOM 146 C LEU A 11 -23.051 -0.427 -25.306 1.00 0.00 C ATOM 147 O LEU A 11 -22.177 -0.691 -24.474 1.00 0.00 O ATOM 148 CB LEU A 11 -24.329 0.961 -23.498 1.00 0.00 C ATOM 149 CG LEU A 11 -25.371 2.086 -23.228 1.00 0.00 C ATOM 150 CD1 LEU A 11 -26.841 1.617 -23.208 1.00 0.00 C ATOM 151 CD2 LEU A 11 -25.047 2.804 -21.904 1.00 0.00 C ATOM 0 H LEU A 11 -25.506 -1.305 -23.942 1.00 0.00 H new ATOM 0 HA LEU A 11 -24.640 1.003 -25.607 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.432 0.211 -22.714 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.333 1.393 -23.397 1.00 0.00 H new ATOM 0 HG LEU A 11 -25.282 2.766 -24.076 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -27.492 2.469 -23.013 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -27.096 1.179 -24.173 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -26.974 0.872 -22.424 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -25.783 3.589 -21.726 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -25.076 2.086 -21.084 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -24.052 3.246 -21.964 1.00 0.00 H new ATOM 163 N LYS A 12 -22.891 -0.685 -26.622 1.00 0.00 N ATOM 164 CA LYS A 12 -21.628 -1.212 -27.210 1.00 0.00 C ATOM 165 C LYS A 12 -20.547 -0.121 -27.452 1.00 0.00 C ATOM 166 O LYS A 12 -19.420 -0.299 -26.986 1.00 0.00 O ATOM 167 CB LYS A 12 -21.917 -2.127 -28.434 1.00 0.00 C ATOM 168 CG LYS A 12 -22.625 -1.498 -29.659 1.00 0.00 C ATOM 169 CD LYS A 12 -22.928 -2.525 -30.772 1.00 0.00 C ATOM 170 CE LYS A 12 -23.667 -1.950 -31.996 1.00 0.00 C ATOM 171 NZ LYS A 12 -22.830 -1.052 -32.816 1.00 0.00 N ATOM 0 H LYS A 12 -23.629 -0.536 -27.310 1.00 0.00 H new ATOM 0 HA LYS A 12 -21.164 -1.852 -26.459 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -20.968 -2.541 -28.773 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -22.525 -2.964 -28.090 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -23.557 -1.035 -29.335 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.999 -0.704 -30.065 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.989 -2.966 -31.106 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.527 -3.332 -30.350 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.021 -2.773 -32.617 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -24.548 -1.405 -31.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -23.385 -0.700 -33.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.512 -0.249 -32.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -22.002 -1.574 -33.168 1.00 0.00 H new ATOM 185 N GLU A 13 -20.874 0.995 -28.136 1.00 0.00 N ATOM 186 CA GLU A 13 -19.945 2.148 -28.310 1.00 0.00 C ATOM 187 C GLU A 13 -19.759 3.047 -27.048 1.00 0.00 C ATOM 188 O GLU A 13 -18.630 3.478 -26.798 1.00 0.00 O ATOM 189 CB GLU A 13 -20.266 2.939 -29.612 1.00 0.00 C ATOM 190 CG GLU A 13 -21.665 3.582 -29.802 1.00 0.00 C ATOM 191 CD GLU A 13 -21.933 4.860 -28.998 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.196 5.856 -29.173 1.00 0.00 O ATOM 193 OE2 GLU A 13 -22.888 4.875 -28.189 1.00 0.00 O ATOM 0 H GLU A 13 -21.781 1.129 -28.583 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.953 1.714 -28.434 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -19.528 3.737 -29.697 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -20.103 2.263 -30.451 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -21.798 3.808 -30.860 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -22.421 2.844 -29.536 1.00 0.00 H new ATOM 200 N PHE A 14 -20.818 3.299 -26.243 1.00 0.00 N ATOM 201 CA PHE A 14 -20.687 3.964 -24.917 1.00 0.00 C ATOM 202 C PHE A 14 -19.985 3.080 -23.834 1.00 0.00 C ATOM 203 O PHE A 14 -19.165 3.621 -23.087 1.00 0.00 O ATOM 204 CB PHE A 14 -22.070 4.512 -24.455 1.00 0.00 C ATOM 205 CG PHE A 14 -21.989 5.568 -23.331 1.00 0.00 C ATOM 206 CD1 PHE A 14 -21.920 5.179 -21.987 1.00 0.00 C ATOM 207 CD2 PHE A 14 -21.943 6.930 -23.651 1.00 0.00 C ATOM 208 CE1 PHE A 14 -21.804 6.136 -20.982 1.00 0.00 C ATOM 209 CE2 PHE A 14 -21.829 7.886 -22.643 1.00 0.00 C ATOM 210 CZ PHE A 14 -21.759 7.488 -21.310 1.00 0.00 C ATOM 0 H PHE A 14 -21.777 3.052 -26.487 1.00 0.00 H new ATOM 0 HA PHE A 14 -20.011 4.810 -25.043 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -22.580 4.950 -25.313 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -22.682 3.678 -24.111 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.957 4.131 -21.729 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.996 7.242 -24.684 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.749 5.829 -19.948 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.795 8.935 -22.896 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.670 8.229 -20.530 1.00 0.00 H new ATOM 220 N GLY A 15 -20.256 1.757 -23.762 1.00 0.00 N ATOM 221 CA GLY A 15 -19.435 0.808 -22.955 1.00 0.00 C ATOM 222 C GLY A 15 -17.923 0.761 -23.293 1.00 0.00 C ATOM 223 O GLY A 15 -17.098 0.909 -22.391 1.00 0.00 O ATOM 0 H GLY A 15 -21.035 1.316 -24.251 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.544 1.069 -21.902 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.846 -0.194 -23.079 1.00 0.00 H new ATOM 227 N ASN A 16 -17.577 0.625 -24.588 1.00 0.00 N ATOM 228 CA ASN A 16 -16.188 0.824 -25.104 1.00 0.00 C ATOM 229 C ASN A 16 -15.481 2.178 -24.757 1.00 0.00 C ATOM 230 O ASN A 16 -14.258 2.171 -24.594 1.00 0.00 O ATOM 231 CB ASN A 16 -16.185 0.601 -26.647 1.00 0.00 C ATOM 232 CG ASN A 16 -16.345 -0.855 -27.142 1.00 0.00 C ATOM 233 OD1 ASN A 16 -16.316 -1.827 -26.385 1.00 0.00 O ATOM 234 ND2 ASN A 16 -16.518 -1.030 -28.444 1.00 0.00 N ATOM 0 H ASN A 16 -18.246 0.374 -25.315 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.590 0.084 -24.572 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.990 1.196 -27.078 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -15.250 0.994 -27.045 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -16.628 -1.971 -28.822 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -16.542 -0.224 -29.068 1.00 0.00 H new ATOM 241 N THR A 17 -16.214 3.309 -24.619 1.00 0.00 N ATOM 242 CA THR A 17 -15.653 4.612 -24.177 1.00 0.00 C ATOM 243 C THR A 17 -15.071 4.549 -22.727 1.00 0.00 C ATOM 244 O THR A 17 -13.862 4.742 -22.588 1.00 0.00 O ATOM 245 CB THR A 17 -16.716 5.733 -24.411 1.00 0.00 C ATOM 246 OG1 THR A 17 -17.114 5.766 -25.780 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.227 7.143 -24.062 1.00 0.00 C ATOM 0 H THR A 17 -17.215 3.345 -24.812 1.00 0.00 H new ATOM 0 HA THR A 17 -14.784 4.865 -24.785 1.00 0.00 H new ATOM 0 HB THR A 17 -17.539 5.475 -23.745 1.00 0.00 H new ATOM 0 HG1 THR A 17 -17.595 4.941 -26.001 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.024 7.862 -24.253 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.948 7.181 -23.009 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.361 7.390 -24.676 1.00 0.00 H new ATOM 255 N LEU A 18 -15.882 4.252 -21.683 1.00 0.00 N ATOM 256 CA LEU A 18 -15.369 4.093 -20.283 1.00 0.00 C ATOM 257 C LEU A 18 -14.659 2.757 -19.876 1.00 0.00 C ATOM 258 O LEU A 18 -14.236 2.615 -18.725 1.00 0.00 O ATOM 259 CB LEU A 18 -16.422 4.587 -19.248 1.00 0.00 C ATOM 260 CG LEU A 18 -17.593 3.643 -18.843 1.00 0.00 C ATOM 261 CD1 LEU A 18 -18.337 4.212 -17.618 1.00 0.00 C ATOM 262 CD2 LEU A 18 -18.598 3.380 -19.978 1.00 0.00 C ATOM 0 H LEU A 18 -16.889 4.117 -21.773 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.501 4.752 -20.269 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.886 4.854 -18.337 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.861 5.504 -19.640 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.135 2.684 -18.601 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.153 3.543 -17.345 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.645 4.301 -16.781 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.740 5.195 -17.861 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.384 2.715 -19.621 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.039 4.324 -20.299 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.084 2.915 -20.819 1.00 0.00 H new ATOM 274 N GLU A 19 -14.461 1.831 -20.826 1.00 0.00 N ATOM 275 CA GLU A 19 -13.507 0.695 -20.701 1.00 0.00 C ATOM 276 C GLU A 19 -12.046 1.139 -21.013 1.00 0.00 C ATOM 277 O GLU A 19 -11.178 0.983 -20.150 1.00 0.00 O ATOM 278 CB GLU A 19 -13.956 -0.509 -21.571 1.00 0.00 C ATOM 279 CG GLU A 19 -15.139 -1.325 -21.005 1.00 0.00 C ATOM 280 CD GLU A 19 -15.614 -2.428 -21.956 1.00 0.00 C ATOM 281 OE1 GLU A 19 -16.229 -2.110 -22.997 1.00 0.00 O ATOM 282 OE2 GLU A 19 -15.380 -3.621 -21.663 1.00 0.00 O ATOM 0 H GLU A 19 -14.959 1.841 -21.716 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.516 0.361 -19.664 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.230 -0.140 -22.559 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.105 -1.177 -21.705 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.843 -1.773 -20.056 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.970 -0.652 -20.794 1.00 0.00 H new ATOM 289 N ASP A 20 -11.780 1.711 -22.210 1.00 0.00 N ATOM 290 CA ASP A 20 -10.465 2.321 -22.555 1.00 0.00 C ATOM 291 C ASP A 20 -10.070 3.572 -21.701 1.00 0.00 C ATOM 292 O ASP A 20 -8.901 3.679 -21.328 1.00 0.00 O ATOM 293 CB ASP A 20 -10.445 2.611 -24.080 1.00 0.00 C ATOM 294 CG ASP A 20 -9.056 2.935 -24.653 1.00 0.00 C ATOM 295 OD1 ASP A 20 -8.303 1.994 -24.985 1.00 0.00 O ATOM 296 OD2 ASP A 20 -8.711 4.133 -24.762 1.00 0.00 O ATOM 0 H ASP A 20 -12.465 1.765 -22.964 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.691 1.598 -22.298 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.847 1.745 -24.606 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.112 3.448 -24.286 1.00 0.00 H new ATOM 301 N LYS A 21 -11.012 4.487 -21.383 1.00 0.00 N ATOM 302 CA LYS A 21 -10.767 5.642 -20.470 1.00 0.00 C ATOM 303 C LYS A 21 -10.345 5.242 -19.019 1.00 0.00 C ATOM 304 O LYS A 21 -9.350 5.779 -18.527 1.00 0.00 O ATOM 305 CB LYS A 21 -12.015 6.566 -20.484 1.00 0.00 C ATOM 306 CG LYS A 21 -11.793 7.992 -19.939 1.00 0.00 C ATOM 307 CD LYS A 21 -13.073 8.853 -20.034 1.00 0.00 C ATOM 308 CE LYS A 21 -12.946 10.279 -19.468 1.00 0.00 C ATOM 309 NZ LYS A 21 -12.077 11.156 -20.277 1.00 0.00 N ATOM 0 H LYS A 21 -11.964 4.452 -21.747 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.900 6.182 -20.852 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.379 6.640 -21.509 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.803 6.091 -19.900 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.469 7.937 -18.900 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.990 8.473 -20.498 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.370 8.920 -21.081 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.877 8.340 -19.506 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.938 10.725 -19.401 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.552 10.225 -18.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.034 12.100 -19.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.120 10.751 -20.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.464 11.236 -21.239 1.00 0.00 H new ATOM 323 N ALA A 22 -11.057 4.295 -18.366 1.00 0.00 N ATOM 324 CA ALA A 22 -10.635 3.712 -17.061 1.00 0.00 C ATOM 325 C ALA A 22 -9.266 2.970 -17.052 1.00 0.00 C ATOM 326 O ALA A 22 -8.490 3.188 -16.120 1.00 0.00 O ATOM 327 CB ALA A 22 -11.757 2.801 -16.535 1.00 0.00 C ATOM 0 H ALA A 22 -11.934 3.913 -18.721 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.468 4.562 -16.399 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.458 2.369 -15.580 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.667 3.386 -16.400 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.943 2.001 -17.252 1.00 0.00 H new ATOM 333 N ARG A 23 -8.952 2.156 -18.084 1.00 0.00 N ATOM 334 CA ARG A 23 -7.590 1.589 -18.312 1.00 0.00 C ATOM 335 C ARG A 23 -6.444 2.650 -18.448 1.00 0.00 C ATOM 336 O ARG A 23 -5.397 2.490 -17.813 1.00 0.00 O ATOM 337 CB ARG A 23 -7.673 0.635 -19.536 1.00 0.00 C ATOM 338 CG ARG A 23 -6.441 -0.274 -19.724 1.00 0.00 C ATOM 339 CD ARG A 23 -6.573 -1.204 -20.943 1.00 0.00 C ATOM 340 NE ARG A 23 -5.390 -2.091 -21.070 1.00 0.00 N ATOM 341 CZ ARG A 23 -5.176 -2.929 -22.103 1.00 0.00 C ATOM 342 NH1 ARG A 23 -5.996 -3.053 -23.146 1.00 0.00 N ATOM 343 NH2 ARG A 23 -4.086 -3.674 -22.082 1.00 0.00 N ATOM 0 H ARG A 23 -9.632 1.869 -18.788 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.299 1.040 -17.417 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.559 0.008 -19.433 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.809 1.232 -20.438 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.551 0.345 -19.839 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.297 -0.876 -18.826 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.475 -1.808 -20.847 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.683 -0.608 -21.849 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.693 -2.064 -20.326 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.847 -2.493 -23.195 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.773 -3.708 -23.895 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.436 -3.605 -21.299 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.894 -4.319 -22.849 1.00 0.00 H new ATOM 357 N GLU A 24 -6.657 3.724 -19.237 1.00 0.00 N ATOM 358 CA GLU A 24 -5.715 4.877 -19.330 1.00 0.00 C ATOM 359 C GLU A 24 -5.524 5.744 -18.041 1.00 0.00 C ATOM 360 O GLU A 24 -4.482 6.395 -17.938 1.00 0.00 O ATOM 361 CB GLU A 24 -6.101 5.776 -20.541 1.00 0.00 C ATOM 362 CG GLU A 24 -5.904 5.167 -21.950 1.00 0.00 C ATOM 363 CD GLU A 24 -4.440 4.911 -22.330 1.00 0.00 C ATOM 364 OE1 GLU A 24 -3.764 5.851 -22.804 1.00 0.00 O ATOM 365 OE2 GLU A 24 -3.960 3.770 -22.150 1.00 0.00 O ATOM 0 H GLU A 24 -7.482 3.824 -19.829 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.738 4.414 -19.469 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.149 6.057 -20.435 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.517 6.694 -20.483 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.451 4.226 -22.006 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.346 5.837 -22.687 1.00 0.00 H new ATOM 372 N LEU A 25 -6.458 5.742 -17.061 1.00 0.00 N ATOM 373 CA LEU A 25 -6.229 6.359 -15.721 1.00 0.00 C ATOM 374 C LEU A 25 -5.104 5.691 -14.867 1.00 0.00 C ATOM 375 O LEU A 25 -4.344 6.433 -14.243 1.00 0.00 O ATOM 376 CB LEU A 25 -7.547 6.464 -14.899 1.00 0.00 C ATOM 377 CG LEU A 25 -8.643 7.435 -15.426 1.00 0.00 C ATOM 378 CD1 LEU A 25 -9.954 7.251 -14.638 1.00 0.00 C ATOM 379 CD2 LEU A 25 -8.215 8.917 -15.387 1.00 0.00 C ATOM 0 H LEU A 25 -7.381 5.321 -17.168 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.866 7.361 -15.950 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.983 5.467 -14.833 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.288 6.767 -13.884 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.799 7.175 -16.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.708 7.938 -15.021 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.306 6.226 -14.752 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.776 7.458 -13.583 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.025 9.540 -15.768 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.989 9.204 -14.360 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.328 9.056 -16.006 1.00 0.00 H new ATOM 391 N ILE A 26 -4.958 4.346 -14.843 1.00 0.00 N ATOM 392 CA ILE A 26 -3.812 3.661 -14.155 1.00 0.00 C ATOM 393 C ILE A 26 -2.434 3.957 -14.847 1.00 0.00 C ATOM 394 O ILE A 26 -1.492 4.289 -14.128 1.00 0.00 O ATOM 395 CB ILE A 26 -4.039 2.117 -13.929 1.00 0.00 C ATOM 396 CG1 ILE A 26 -5.439 1.720 -13.360 1.00 0.00 C ATOM 397 CG2 ILE A 26 -2.950 1.506 -13.010 1.00 0.00 C ATOM 398 CD1 ILE A 26 -6.438 1.279 -14.437 1.00 0.00 C ATOM 0 H ILE A 26 -5.613 3.704 -15.289 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.773 4.102 -13.159 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.977 1.707 -14.937 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.313 0.911 -12.640 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.855 2.568 -12.816 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.141 0.441 -12.878 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.970 1.645 -13.465 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.973 2.002 -12.039 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.387 1.019 -13.968 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.594 2.094 -15.144 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.044 0.411 -14.965 1.00 0.00 H new ATOM 410 N SER A 27 -2.299 3.870 -16.190 1.00 0.00 N ATOM 411 CA SER A 27 -1.078 4.348 -16.917 1.00 0.00 C ATOM 412 C SER A 27 -0.700 5.864 -16.775 1.00 0.00 C ATOM 413 O SER A 27 0.486 6.202 -16.802 1.00 0.00 O ATOM 414 CB SER A 27 -1.152 3.924 -18.400 1.00 0.00 C ATOM 415 OG SER A 27 -2.186 4.605 -19.105 1.00 0.00 O ATOM 0 H SER A 27 -3.014 3.475 -16.801 1.00 0.00 H new ATOM 0 HA SER A 27 -0.253 3.853 -16.406 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.195 4.124 -18.881 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.321 2.849 -18.460 1.00 0.00 H new ATOM 0 HG SER A 27 -2.747 5.096 -18.469 1.00 0.00 H new ATOM 421 N ARG A 28 -1.690 6.759 -16.582 1.00 0.00 N ATOM 422 CA ARG A 28 -1.467 8.151 -16.092 1.00 0.00 C ATOM 423 C ARG A 28 -0.959 8.237 -14.609 1.00 0.00 C ATOM 424 O ARG A 28 -0.100 9.069 -14.305 1.00 0.00 O ATOM 425 CB ARG A 28 -2.804 8.915 -16.315 1.00 0.00 C ATOM 426 CG ARG A 28 -2.820 10.415 -15.950 1.00 0.00 C ATOM 427 CD ARG A 28 -4.208 11.048 -16.165 1.00 0.00 C ATOM 428 NE ARG A 28 -4.252 12.465 -15.721 1.00 0.00 N ATOM 429 CZ ARG A 28 -4.629 12.878 -14.493 1.00 0.00 C ATOM 430 NH1 ARG A 28 -4.989 12.059 -13.506 1.00 0.00 N ATOM 431 NH2 ARG A 28 -4.639 14.177 -14.256 1.00 0.00 N ATOM 0 H ARG A 28 -2.671 6.545 -16.759 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.654 8.610 -16.654 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.079 8.818 -17.365 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.581 8.416 -15.735 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.523 10.538 -14.908 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.083 10.943 -16.555 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.472 10.991 -17.221 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.956 10.474 -15.618 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.977 13.179 -16.395 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.991 11.050 -13.655 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.263 12.441 -12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.367 14.831 -14.990 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.918 14.526 -13.339 1.00 0.00 H new ATOM 445 N ILE A 29 -1.499 7.393 -13.708 1.00 0.00 N ATOM 446 CA ILE A 29 -1.173 7.370 -12.260 1.00 0.00 C ATOM 447 C ILE A 29 0.157 6.567 -12.090 1.00 0.00 C ATOM 448 O ILE A 29 1.224 7.182 -12.172 1.00 0.00 O ATOM 449 CB ILE A 29 -2.473 6.956 -11.468 1.00 0.00 C ATOM 450 CG1 ILE A 29 -3.585 8.056 -11.539 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.229 6.580 -9.987 1.00 0.00 C ATOM 452 CD1 ILE A 29 -5.008 7.611 -11.162 1.00 0.00 C ATOM 0 H ILE A 29 -2.191 6.690 -13.968 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.930 8.328 -11.801 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.812 6.055 -11.979 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.297 8.876 -10.881 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.608 8.454 -12.553 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.176 6.309 -9.520 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.543 5.734 -9.935 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.796 7.431 -9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.689 8.458 -11.249 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.330 6.815 -11.834 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.015 7.244 -10.136 1.00 0.00 H new ATOM 464 N LYS A 30 0.105 5.246 -11.822 1.00 0.00 N ATOM 465 CA LYS A 30 1.263 4.427 -11.319 1.00 0.00 C ATOM 466 C LYS A 30 2.011 4.827 -9.998 1.00 0.00 C ATOM 467 O LYS A 30 2.824 4.058 -9.476 1.00 0.00 O ATOM 468 CB LYS A 30 2.279 4.061 -12.439 1.00 0.00 C ATOM 469 CG LYS A 30 1.768 3.286 -13.674 1.00 0.00 C ATOM 470 CD LYS A 30 1.243 1.867 -13.388 1.00 0.00 C ATOM 471 CE LYS A 30 0.811 1.138 -14.673 1.00 0.00 C ATOM 472 NZ LYS A 30 0.350 -0.232 -14.386 1.00 0.00 N ATOM 0 H LYS A 30 -0.746 4.697 -11.945 1.00 0.00 H new ATOM 0 HA LYS A 30 0.704 3.552 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.730 4.988 -12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.075 3.472 -11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.970 3.864 -14.141 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.578 3.217 -14.400 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.019 1.288 -12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.397 1.925 -12.703 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.012 1.698 -15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.647 1.103 -15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.066 -0.696 -15.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.121 -0.772 -13.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.463 -0.196 -13.738 1.00 0.00 H new ATOM 486 N GLN A 31 1.715 6.018 -9.483 1.00 0.00 N ATOM 487 CA GLN A 31 2.391 6.683 -8.348 1.00 0.00 C ATOM 488 C GLN A 31 1.269 7.507 -7.652 1.00 0.00 C ATOM 489 O GLN A 31 0.586 6.975 -6.770 1.00 0.00 O ATOM 490 CB GLN A 31 3.711 7.399 -8.785 1.00 0.00 C ATOM 491 CG GLN A 31 4.960 6.493 -8.813 1.00 0.00 C ATOM 492 CD GLN A 31 6.227 7.224 -9.284 1.00 0.00 C ATOM 493 OE1 GLN A 31 6.437 7.432 -10.480 1.00 0.00 O ATOM 494 NE2 GLN A 31 7.096 7.624 -8.369 1.00 0.00 N ATOM 0 H GLN A 31 0.956 6.585 -9.861 1.00 0.00 H new ATOM 0 HA GLN A 31 2.809 6.011 -7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.566 7.824 -9.778 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.898 8.231 -8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.131 6.090 -7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.771 5.645 -9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.914 7.448 -7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.948 8.109 -8.652 1.00 0.00 H new ATOM 503 N SER A 32 1.044 8.756 -8.087 1.00 0.00 N ATOM 504 CA SER A 32 -0.189 9.540 -7.773 1.00 0.00 C ATOM 505 C SER A 32 -0.274 10.730 -8.769 1.00 0.00 C ATOM 506 O SER A 32 0.209 11.827 -8.463 1.00 0.00 O ATOM 507 CB SER A 32 -0.240 9.999 -6.289 1.00 0.00 C ATOM 508 OG SER A 32 -1.465 10.667 -6.007 1.00 0.00 O ATOM 0 H SER A 32 1.708 9.265 -8.671 1.00 0.00 H new ATOM 0 HA SER A 32 -1.065 8.903 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.132 9.135 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.598 10.664 -6.081 1.00 0.00 H new ATOM 0 HG SER A 32 -1.477 10.946 -5.068 1.00 0.00 H new ATOM 514 N GLU A 33 -0.805 10.497 -9.995 1.00 0.00 N ATOM 515 CA GLU A 33 -0.545 11.355 -11.203 1.00 0.00 C ATOM 516 C GLU A 33 0.857 12.032 -11.411 1.00 0.00 C ATOM 517 O GLU A 33 0.970 13.088 -12.044 1.00 0.00 O ATOM 518 CB GLU A 33 -1.770 12.269 -11.494 1.00 0.00 C ATOM 519 CG GLU A 33 -2.009 13.428 -10.499 1.00 0.00 C ATOM 520 CD GLU A 33 -3.194 14.310 -10.894 1.00 0.00 C ATOM 521 OE1 GLU A 33 -4.349 13.955 -10.568 1.00 0.00 O ATOM 522 OE2 GLU A 33 -2.978 15.361 -11.537 1.00 0.00 O ATOM 0 H GLU A 33 -1.427 9.711 -10.186 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.434 10.618 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.652 12.693 -12.491 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.664 11.646 -11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.183 13.017 -9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.110 14.041 -10.438 1.00 0.00 H new ATOM 529 N LEU A 34 1.922 11.358 -10.940 1.00 0.00 N ATOM 530 CA LEU A 34 3.332 11.712 -11.238 1.00 0.00 C ATOM 531 C LEU A 34 3.755 11.103 -12.604 1.00 0.00 C ATOM 532 O LEU A 34 4.243 11.846 -13.456 1.00 0.00 O ATOM 533 CB LEU A 34 4.227 11.277 -10.036 1.00 0.00 C ATOM 534 CG LEU A 34 5.681 11.834 -9.964 1.00 0.00 C ATOM 535 CD1 LEU A 34 6.263 11.614 -8.552 1.00 0.00 C ATOM 536 CD2 LEU A 34 6.656 11.230 -10.998 1.00 0.00 C ATOM 0 H LEU A 34 1.832 10.542 -10.334 1.00 0.00 H new ATOM 0 HA LEU A 34 3.456 12.789 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.714 11.563 -9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.287 10.189 -10.041 1.00 0.00 H new ATOM 0 HG LEU A 34 5.591 12.894 -10.201 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.279 12.007 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.645 12.132 -7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.277 10.548 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.642 11.677 -10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.724 10.153 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.291 11.434 -12.005 1.00 0.00 H new ATOM 548 N SER A 35 3.598 9.778 -12.792 1.00 0.00 N ATOM 549 CA SER A 35 4.230 9.043 -13.923 1.00 0.00 C ATOM 550 C SER A 35 3.716 9.238 -15.389 1.00 0.00 C ATOM 551 O SER A 35 4.435 8.816 -16.298 1.00 0.00 O ATOM 552 CB SER A 35 4.228 7.560 -13.534 1.00 0.00 C ATOM 553 OG SER A 35 5.223 6.833 -14.244 1.00 0.00 O ATOM 0 H SER A 35 3.039 9.187 -12.177 1.00 0.00 H new ATOM 0 HA SER A 35 5.215 9.499 -14.023 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.401 7.464 -12.462 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.247 7.131 -13.738 1.00 0.00 H new ATOM 0 HG SER A 35 5.516 6.068 -13.706 1.00 0.00 H new ATOM 559 N ALA A 36 2.592 9.935 -15.678 1.00 0.00 N ATOM 560 CA ALA A 36 2.404 10.663 -16.968 1.00 0.00 C ATOM 561 C ALA A 36 3.545 11.646 -17.405 1.00 0.00 C ATOM 562 O ALA A 36 3.763 11.837 -18.604 1.00 0.00 O ATOM 563 CB ALA A 36 1.075 11.427 -16.842 1.00 0.00 C ATOM 0 H ALA A 36 1.800 10.012 -15.040 1.00 0.00 H new ATOM 0 HA ALA A 36 2.416 9.911 -17.757 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.885 11.981 -17.761 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.264 10.720 -16.670 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.133 12.123 -16.005 1.00 0.00 H new ATOM 569 N LYS A 37 4.281 12.215 -16.428 1.00 0.00 N ATOM 570 CA LYS A 37 5.555 12.960 -16.675 1.00 0.00 C ATOM 571 C LYS A 37 6.739 12.028 -17.097 1.00 0.00 C ATOM 572 O LYS A 37 7.420 12.324 -18.083 1.00 0.00 O ATOM 573 CB LYS A 37 5.960 13.811 -15.436 1.00 0.00 C ATOM 574 CG LYS A 37 4.941 14.881 -14.977 1.00 0.00 C ATOM 575 CD LYS A 37 5.372 15.595 -13.681 1.00 0.00 C ATOM 576 CE LYS A 37 4.327 16.612 -13.191 1.00 0.00 C ATOM 577 NZ LYS A 37 4.757 17.269 -11.945 1.00 0.00 N ATOM 0 H LYS A 37 4.018 12.177 -15.443 1.00 0.00 H new ATOM 0 HA LYS A 37 5.354 13.625 -17.515 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.145 13.134 -14.602 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.904 14.310 -15.657 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.814 15.619 -15.769 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.970 14.410 -14.822 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.545 14.853 -12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.320 16.106 -13.850 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.161 17.365 -13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.375 16.107 -13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.030 17.948 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.892 16.552 -11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.653 17.771 -12.109 1.00 0.00 H new ATOM 591 N MET A 38 6.952 10.900 -16.382 1.00 0.00 N ATOM 592 CA MET A 38 7.887 9.813 -16.788 1.00 0.00 C ATOM 593 C MET A 38 7.618 9.131 -18.174 1.00 0.00 C ATOM 594 O MET A 38 8.579 8.628 -18.755 1.00 0.00 O ATOM 595 CB MET A 38 7.927 8.734 -15.672 1.00 0.00 C ATOM 596 CG MET A 38 8.504 9.157 -14.304 1.00 0.00 C ATOM 597 SD MET A 38 10.226 9.685 -14.462 1.00 0.00 S ATOM 598 CE MET A 38 11.103 8.116 -14.313 1.00 0.00 C ATOM 0 H MET A 38 6.478 10.712 -15.499 1.00 0.00 H new ATOM 0 HA MET A 38 8.848 10.310 -16.921 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.911 8.374 -15.513 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.511 7.890 -16.039 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.907 9.970 -13.889 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.438 8.324 -13.604 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.176 8.290 -14.392 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.879 7.664 -13.347 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.785 7.444 -15.110 1.00 0.00 H new ATOM 608 N ARG A 39 6.380 9.128 -18.724 1.00 0.00 N ATOM 609 CA ARG A 39 6.132 8.767 -20.152 1.00 0.00 C ATOM 610 C ARG A 39 6.592 9.929 -21.087 1.00 0.00 C ATOM 611 O ARG A 39 6.328 11.102 -20.802 1.00 0.00 O ATOM 612 CB ARG A 39 4.636 8.415 -20.407 1.00 0.00 C ATOM 613 CG ARG A 39 4.218 6.959 -20.100 1.00 0.00 C ATOM 614 CD ARG A 39 4.087 6.607 -18.608 1.00 0.00 C ATOM 615 NE ARG A 39 3.680 5.193 -18.445 1.00 0.00 N ATOM 616 CZ ARG A 39 3.322 4.631 -17.278 1.00 0.00 C ATOM 617 NH1 ARG A 39 3.380 5.257 -16.108 1.00 0.00 N ATOM 618 NH2 ARG A 39 2.885 3.387 -17.294 1.00 0.00 N ATOM 0 H ARG A 39 5.535 9.370 -18.206 1.00 0.00 H new ATOM 0 HA ARG A 39 6.717 7.876 -20.379 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.019 9.083 -19.806 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.408 8.624 -21.452 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.262 6.764 -20.587 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.948 6.287 -20.551 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.037 6.779 -18.102 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.352 7.260 -18.137 1.00 0.00 H new ATOM 0 HE ARG A 39 3.671 4.604 -19.277 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.711 6.221 -16.061 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.093 4.774 -15.256 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.826 2.878 -18.176 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.606 2.933 -16.424 1.00 0.00 H new ATOM 632 N GLU A 40 7.304 9.549 -22.169 1.00 0.00 N ATOM 633 CA GLU A 40 8.214 10.454 -22.973 1.00 0.00 C ATOM 634 C GLU A 40 9.693 10.143 -22.596 1.00 0.00 C ATOM 635 O GLU A 40 10.456 9.697 -23.458 1.00 0.00 O ATOM 636 CB GLU A 40 7.950 11.990 -23.062 1.00 0.00 C ATOM 637 CG GLU A 40 6.624 12.416 -23.733 1.00 0.00 C ATOM 638 CD GLU A 40 6.577 12.188 -25.248 1.00 0.00 C ATOM 639 OE1 GLU A 40 7.079 13.047 -26.005 1.00 0.00 O ATOM 640 OE2 GLU A 40 6.040 11.147 -25.687 1.00 0.00 O ATOM 0 H GLU A 40 7.276 8.595 -22.530 1.00 0.00 H new ATOM 0 HA GLU A 40 7.957 10.187 -23.998 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.971 12.400 -22.052 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.774 12.448 -23.609 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.804 11.867 -23.270 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.453 13.474 -23.532 1.00 0.00 H new ATOM 647 N TRP A 41 10.083 10.338 -21.315 1.00 0.00 N ATOM 648 CA TRP A 41 11.384 9.859 -20.771 1.00 0.00 C ATOM 649 C TRP A 41 11.609 8.310 -20.834 1.00 0.00 C ATOM 650 O TRP A 41 12.748 7.905 -21.069 1.00 0.00 O ATOM 651 CB TRP A 41 11.532 10.417 -19.324 1.00 0.00 C ATOM 652 CG TRP A 41 12.871 10.143 -18.620 1.00 0.00 C ATOM 653 CD1 TRP A 41 13.969 11.024 -18.553 1.00 0.00 C ATOM 654 CD2 TRP A 41 13.259 9.010 -17.918 1.00 0.00 C ATOM 655 NE1 TRP A 41 15.036 10.472 -17.820 1.00 0.00 N ATOM 656 CE2 TRP A 41 14.573 9.224 -17.435 1.00 0.00 C ATOM 657 CE3 TRP A 41 12.601 7.773 -17.685 1.00 0.00 C ATOM 658 CZ2 TRP A 41 15.232 8.212 -16.698 1.00 0.00 C ATOM 659 CZ3 TRP A 41 13.274 6.788 -16.961 1.00 0.00 C ATOM 660 CH2 TRP A 41 14.566 7.007 -16.469 1.00 0.00 C ATOM 0 H TRP A 41 9.510 10.829 -20.629 1.00 0.00 H new ATOM 0 HA TRP A 41 12.171 10.242 -21.420 1.00 0.00 H new ATOM 0 HB2 TRP A 41 11.377 11.495 -19.356 1.00 0.00 H new ATOM 0 HB3 TRP A 41 10.733 9.998 -18.713 1.00 0.00 H new ATOM 0 HD1 TRP A 41 13.989 12.003 -19.008 1.00 0.00 H new ATOM 0 HE1 TRP A 41 15.942 10.894 -17.618 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.603 7.599 -18.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 16.231 8.369 -16.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 12.790 5.840 -16.777 1.00 0.00 H new ATOM 0 HH2 TRP A 41 15.056 6.230 -15.902 1.00 0.00 H new ATOM 671 N PHE A 42 10.589 7.454 -20.586 1.00 0.00 N ATOM 672 CA PHE A 42 10.749 5.965 -20.641 1.00 0.00 C ATOM 673 C PHE A 42 11.128 5.412 -22.052 1.00 0.00 C ATOM 674 O PHE A 42 11.961 4.509 -22.140 1.00 0.00 O ATOM 675 CB PHE A 42 9.494 5.199 -20.121 1.00 0.00 C ATOM 676 CG PHE A 42 9.138 5.239 -18.620 1.00 0.00 C ATOM 677 CD1 PHE A 42 10.093 4.944 -17.640 1.00 0.00 C ATOM 678 CD2 PHE A 42 7.808 5.436 -18.229 1.00 0.00 C ATOM 679 CE1 PHE A 42 9.737 4.894 -16.295 1.00 0.00 C ATOM 680 CE2 PHE A 42 7.447 5.366 -16.884 1.00 0.00 C ATOM 681 CZ PHE A 42 8.415 5.104 -15.920 1.00 0.00 C ATOM 0 H PHE A 42 9.646 7.759 -20.346 1.00 0.00 H new ATOM 0 HA PHE A 42 11.589 5.779 -19.972 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.632 5.578 -20.670 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.614 4.152 -20.399 1.00 0.00 H new ATOM 0 HD1 PHE A 42 11.116 4.753 -17.930 1.00 0.00 H new ATOM 0 HD2 PHE A 42 7.056 5.644 -18.975 1.00 0.00 H new ATOM 0 HE1 PHE A 42 10.487 4.692 -15.544 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.418 5.515 -16.591 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.139 5.064 -14.877 1.00 0.00 H new ATOM 691 N SER A 43 10.531 5.971 -23.124 1.00 0.00 N ATOM 692 CA SER A 43 10.920 5.684 -24.536 1.00 0.00 C ATOM 693 C SER A 43 12.341 6.193 -24.942 1.00 0.00 C ATOM 694 O SER A 43 13.097 5.440 -25.563 1.00 0.00 O ATOM 695 CB SER A 43 9.841 6.237 -25.495 1.00 0.00 C ATOM 696 OG SER A 43 8.581 5.609 -25.280 1.00 0.00 O ATOM 0 H SER A 43 9.763 6.637 -23.044 1.00 0.00 H new ATOM 0 HA SER A 43 10.981 4.599 -24.618 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.742 7.313 -25.351 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.155 6.081 -26.527 1.00 0.00 H new ATOM 0 HG SER A 43 7.920 5.981 -25.900 1.00 0.00 H new ATOM 702 N GLU A 44 12.709 7.436 -24.560 1.00 0.00 N ATOM 703 CA GLU A 44 14.105 7.963 -24.620 1.00 0.00 C ATOM 704 C GLU A 44 15.192 7.061 -23.933 1.00 0.00 C ATOM 705 O GLU A 44 16.214 6.745 -24.549 1.00 0.00 O ATOM 706 CB GLU A 44 14.044 9.390 -24.000 1.00 0.00 C ATOM 707 CG GLU A 44 15.300 10.264 -24.170 1.00 0.00 C ATOM 708 CD GLU A 44 15.244 11.532 -23.311 1.00 0.00 C ATOM 709 OE1 GLU A 44 15.539 11.452 -22.097 1.00 0.00 O ATOM 710 OE2 GLU A 44 14.899 12.611 -23.843 1.00 0.00 O ATOM 0 H GLU A 44 12.042 8.116 -24.196 1.00 0.00 H new ATOM 0 HA GLU A 44 14.439 7.976 -25.657 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.198 9.918 -24.440 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.838 9.291 -22.934 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.183 9.684 -23.902 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.408 10.542 -25.218 1.00 0.00 H new ATOM 717 N THR A 45 14.940 6.651 -22.678 1.00 0.00 N ATOM 718 CA THR A 45 15.832 5.760 -21.877 1.00 0.00 C ATOM 719 C THR A 45 15.550 4.226 -22.082 1.00 0.00 C ATOM 720 O THR A 45 15.999 3.431 -21.254 1.00 0.00 O ATOM 721 CB THR A 45 15.697 6.262 -20.398 1.00 0.00 C ATOM 722 OG1 THR A 45 15.919 7.672 -20.302 1.00 0.00 O ATOM 723 CG2 THR A 45 16.644 5.631 -19.365 1.00 0.00 C ATOM 0 H THR A 45 14.099 6.928 -22.173 1.00 0.00 H new ATOM 0 HA THR A 45 16.868 5.830 -22.209 1.00 0.00 H new ATOM 0 HB THR A 45 14.678 5.959 -20.155 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.510 8.012 -19.479 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.451 6.062 -18.383 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.477 4.555 -19.328 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.677 5.828 -19.651 1.00 0.00 H new ATOM 731 N PHE A 46 14.887 3.768 -23.175 1.00 0.00 N ATOM 732 CA PHE A 46 14.544 2.332 -23.369 1.00 0.00 C ATOM 733 C PHE A 46 15.769 1.562 -23.927 1.00 0.00 C ATOM 734 O PHE A 46 16.178 1.648 -25.088 1.00 0.00 O ATOM 735 CB PHE A 46 13.285 2.139 -24.234 1.00 0.00 C ATOM 736 CG PHE A 46 12.576 0.781 -24.069 1.00 0.00 C ATOM 737 CD1 PHE A 46 11.803 0.528 -22.928 1.00 0.00 C ATOM 738 CD2 PHE A 46 12.700 -0.213 -25.046 1.00 0.00 C ATOM 739 CE1 PHE A 46 11.181 -0.705 -22.759 1.00 0.00 C ATOM 740 CE2 PHE A 46 12.066 -1.442 -24.879 1.00 0.00 C ATOM 741 CZ PHE A 46 11.313 -1.690 -23.735 1.00 0.00 C ATOM 0 H PHE A 46 14.578 4.372 -23.937 1.00 0.00 H new ATOM 0 HA PHE A 46 14.295 1.911 -22.395 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.576 2.932 -23.997 1.00 0.00 H new ATOM 0 HB3 PHE A 46 13.561 2.261 -25.281 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.689 1.294 -22.176 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.289 -0.027 -25.932 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.596 -0.898 -21.872 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.159 -2.204 -25.639 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.830 -2.647 -23.604 1.00 0.00 H new ATOM 751 N GLN A 47 16.335 0.878 -22.948 1.00 0.00 N ATOM 752 CA GLN A 47 17.739 0.388 -22.881 1.00 0.00 C ATOM 753 C GLN A 47 18.094 0.192 -21.373 1.00 0.00 C ATOM 754 O GLN A 47 18.353 -0.944 -20.965 1.00 0.00 O ATOM 755 CB GLN A 47 18.851 1.116 -23.701 1.00 0.00 C ATOM 756 CG GLN A 47 19.048 2.642 -23.520 1.00 0.00 C ATOM 757 CD GLN A 47 20.216 3.197 -24.349 1.00 0.00 C ATOM 758 OE1 GLN A 47 21.373 3.149 -23.931 1.00 0.00 O ATOM 759 NE2 GLN A 47 19.946 3.735 -25.529 1.00 0.00 N ATOM 0 H GLN A 47 15.807 0.623 -22.113 1.00 0.00 H new ATOM 0 HA GLN A 47 17.744 -0.551 -23.435 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.800 0.633 -23.468 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.652 0.934 -24.757 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.131 3.158 -23.804 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.222 2.858 -22.466 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.984 3.770 -25.866 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.700 4.115 -26.101 1.00 0.00 H new ATOM 768 N LYS A 48 18.062 1.264 -20.544 1.00 0.00 N ATOM 769 CA LYS A 48 18.140 1.161 -19.056 1.00 0.00 C ATOM 770 C LYS A 48 16.777 0.755 -18.399 1.00 0.00 C ATOM 771 O LYS A 48 16.765 -0.110 -17.522 1.00 0.00 O ATOM 772 CB LYS A 48 18.699 2.453 -18.385 1.00 0.00 C ATOM 773 CG LYS A 48 19.874 3.218 -19.049 1.00 0.00 C ATOM 774 CD LYS A 48 21.124 2.409 -19.448 1.00 0.00 C ATOM 775 CE LYS A 48 21.866 1.748 -18.272 1.00 0.00 C ATOM 776 NZ LYS A 48 23.061 1.018 -18.732 1.00 0.00 N ATOM 0 H LYS A 48 17.982 2.223 -20.881 1.00 0.00 H new ATOM 0 HA LYS A 48 18.851 0.356 -18.871 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.870 3.153 -18.286 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.013 2.186 -17.376 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.492 3.707 -19.945 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.189 4.006 -18.365 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.828 1.634 -20.155 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.816 3.069 -19.971 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.159 2.510 -17.550 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.195 1.062 -17.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.538 0.584 -17.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.777 0.275 -19.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.712 1.679 -19.203 1.00 0.00 H new ATOM 790 N VAL A 49 15.638 1.337 -18.845 1.00 0.00 N ATOM 791 CA VAL A 49 14.262 0.803 -18.587 1.00 0.00 C ATOM 792 C VAL A 49 14.065 -0.671 -19.069 1.00 0.00 C ATOM 793 O VAL A 49 13.438 -1.457 -18.358 1.00 0.00 O ATOM 794 CB VAL A 49 13.149 1.699 -19.236 1.00 0.00 C ATOM 795 CG1 VAL A 49 11.708 1.325 -18.812 1.00 0.00 C ATOM 796 CG2 VAL A 49 13.301 3.222 -19.005 1.00 0.00 C ATOM 0 H VAL A 49 15.639 2.195 -19.397 1.00 0.00 H new ATOM 0 HA VAL A 49 14.161 0.822 -17.502 1.00 0.00 H new ATOM 0 HB VAL A 49 13.305 1.483 -20.293 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.999 1.991 -19.304 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.499 0.295 -19.102 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.609 1.425 -17.731 1.00 0.00 H new ATOM 0 HG21 VAL A 49 12.481 3.748 -19.495 1.00 0.00 H new ATOM 0 HG22 VAL A 49 13.279 3.432 -17.936 1.00 0.00 H new ATOM 0 HG23 VAL A 49 14.250 3.560 -19.422 1.00 0.00 H new ATOM 806 N LYS A 50 14.557 -1.017 -20.277 1.00 0.00 N ATOM 807 CA LYS A 50 14.404 -2.360 -20.881 1.00 0.00 C ATOM 808 C LYS A 50 15.048 -3.519 -20.055 1.00 0.00 C ATOM 809 O LYS A 50 14.352 -4.482 -19.723 1.00 0.00 O ATOM 810 CB LYS A 50 14.946 -2.225 -22.330 1.00 0.00 C ATOM 811 CG LYS A 50 14.864 -3.463 -23.236 1.00 0.00 C ATOM 812 CD LYS A 50 15.462 -3.182 -24.634 1.00 0.00 C ATOM 813 CE LYS A 50 15.661 -4.422 -25.520 1.00 0.00 C ATOM 814 NZ LYS A 50 14.397 -5.058 -25.938 1.00 0.00 N ATOM 0 H LYS A 50 15.077 -0.367 -20.867 1.00 0.00 H new ATOM 0 HA LYS A 50 13.358 -2.665 -20.885 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.404 -1.415 -22.818 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.991 -1.920 -22.271 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.398 -4.292 -22.771 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.824 -3.771 -23.339 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.810 -2.482 -25.157 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.425 -2.687 -24.507 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.226 -4.137 -26.408 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.264 -5.152 -24.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.605 -5.886 -26.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.865 -5.360 -25.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.829 -4.377 -26.481 1.00 0.00 H new ATOM 828 N GLU A 51 16.340 -3.391 -19.687 1.00 0.00 N ATOM 829 CA GLU A 51 17.003 -4.277 -18.685 1.00 0.00 C ATOM 830 C GLU A 51 16.396 -4.321 -17.237 1.00 0.00 C ATOM 831 O GLU A 51 16.578 -5.326 -16.545 1.00 0.00 O ATOM 832 CB GLU A 51 18.533 -3.977 -18.674 1.00 0.00 C ATOM 833 CG GLU A 51 19.002 -2.676 -17.979 1.00 0.00 C ATOM 834 CD GLU A 51 20.488 -2.375 -18.184 1.00 0.00 C ATOM 835 OE1 GLU A 51 21.319 -2.844 -17.375 1.00 0.00 O ATOM 836 OE2 GLU A 51 20.832 -1.665 -19.155 1.00 0.00 O ATOM 0 H GLU A 51 16.958 -2.676 -20.070 1.00 0.00 H new ATOM 0 HA GLU A 51 16.801 -5.291 -19.030 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.037 -4.815 -18.193 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.878 -3.949 -19.708 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.415 -1.839 -18.357 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.799 -2.751 -16.911 1.00 0.00 H new ATOM 843 N LYS A 52 15.713 -3.247 -16.784 1.00 0.00 N ATOM 844 CA LYS A 52 15.180 -3.126 -15.396 1.00 0.00 C ATOM 845 C LYS A 52 13.708 -3.621 -15.218 1.00 0.00 C ATOM 846 O LYS A 52 13.426 -4.263 -14.203 1.00 0.00 O ATOM 847 CB LYS A 52 15.377 -1.653 -14.935 1.00 0.00 C ATOM 848 CG LYS A 52 15.125 -1.348 -13.441 1.00 0.00 C ATOM 849 CD LYS A 52 16.167 -1.944 -12.468 1.00 0.00 C ATOM 850 CE LYS A 52 15.952 -1.563 -10.991 1.00 0.00 C ATOM 851 NZ LYS A 52 14.759 -2.197 -10.392 1.00 0.00 N ATOM 0 H LYS A 52 15.512 -2.434 -17.367 1.00 0.00 H new ATOM 0 HA LYS A 52 15.744 -3.803 -14.754 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.398 -1.356 -15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.715 -1.021 -15.527 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.100 -0.267 -13.306 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.139 -1.726 -13.170 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.149 -3.030 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.160 -1.616 -12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.834 -1.849 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.858 -0.480 -10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.670 -1.901 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.910 -1.905 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.856 -3.231 -10.438 1.00 0.00 H new ATOM 865 N LEU A 53 12.790 -3.297 -16.159 1.00 0.00 N ATOM 866 CA LEU A 53 11.325 -3.612 -16.082 1.00 0.00 C ATOM 867 C LEU A 53 10.587 -2.504 -15.272 1.00 0.00 C ATOM 868 O LEU A 53 10.036 -1.588 -15.888 1.00 0.00 O ATOM 869 CB LEU A 53 10.901 -5.081 -15.753 1.00 0.00 C ATOM 870 CG LEU A 53 11.221 -6.200 -16.791 1.00 0.00 C ATOM 871 CD1 LEU A 53 12.720 -6.539 -16.927 1.00 0.00 C ATOM 872 CD2 LEU A 53 10.442 -7.485 -16.443 1.00 0.00 C ATOM 0 H LEU A 53 13.042 -2.800 -17.013 1.00 0.00 H new ATOM 0 HA LEU A 53 10.973 -3.584 -17.113 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.373 -5.359 -14.811 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.824 -5.085 -15.583 1.00 0.00 H new ATOM 0 HG LEU A 53 10.907 -5.798 -17.754 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.849 -7.326 -17.670 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.267 -5.650 -17.242 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.105 -6.880 -15.966 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.673 -8.260 -17.174 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.730 -7.827 -15.449 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.372 -7.278 -16.460 1.00 0.00 H new ATOM 884 N LYS A 54 10.575 -2.576 -13.921 1.00 0.00 N ATOM 885 CA LYS A 54 9.912 -1.579 -13.024 1.00 0.00 C ATOM 886 C LYS A 54 8.359 -1.724 -12.983 1.00 0.00 C ATOM 887 O LYS A 54 7.711 -2.063 -13.980 1.00 0.00 O ATOM 888 CB LYS A 54 10.328 -0.083 -13.211 1.00 0.00 C ATOM 889 CG LYS A 54 11.833 0.222 -13.041 1.00 0.00 C ATOM 890 CD LYS A 54 12.184 1.723 -12.934 1.00 0.00 C ATOM 891 CE LYS A 54 12.014 2.563 -14.217 1.00 0.00 C ATOM 892 NZ LYS A 54 13.022 2.251 -15.246 1.00 0.00 N ATOM 0 H LYS A 54 11.028 -3.333 -13.409 1.00 0.00 H new ATOM 0 HA LYS A 54 10.314 -1.856 -12.050 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.022 0.238 -14.207 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.771 0.522 -12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.193 -0.285 -12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.373 -0.203 -13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.564 2.164 -12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.220 1.809 -12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.019 2.392 -14.627 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.077 3.621 -13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.221 3.104 -15.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.897 1.927 -14.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.660 1.502 -15.870 1.00 0.00 H new ATOM 906 N ILE A 55 7.768 -1.398 -11.817 1.00 0.00 N ATOM 907 CA ILE A 55 6.297 -1.297 -11.616 1.00 0.00 C ATOM 908 C ILE A 55 5.531 -0.250 -12.502 1.00 0.00 C ATOM 909 O ILE A 55 4.372 -0.504 -12.844 1.00 0.00 O ATOM 910 CB ILE A 55 6.057 -1.139 -10.070 1.00 0.00 C ATOM 911 CG1 ILE A 55 4.589 -1.311 -9.624 1.00 0.00 C ATOM 912 CG2 ILE A 55 6.599 0.188 -9.465 1.00 0.00 C ATOM 913 CD1 ILE A 55 3.940 -2.676 -9.910 1.00 0.00 C ATOM 0 H ILE A 55 8.301 -1.193 -10.972 1.00 0.00 H new ATOM 0 HA ILE A 55 5.840 -2.214 -11.989 1.00 0.00 H new ATOM 0 HB ILE A 55 6.640 -1.970 -9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.534 -1.125 -8.551 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.992 -0.540 -10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.390 0.212 -8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.675 0.248 -9.626 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.112 1.034 -9.949 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.911 -2.672 -9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.949 -2.865 -10.983 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.500 -3.459 -9.399 1.00 0.00 H new ATOM 925 N ASP A 56 6.156 0.889 -12.873 1.00 0.00 N ATOM 926 CA ASP A 56 5.525 1.935 -13.725 1.00 0.00 C ATOM 927 C ASP A 56 5.437 1.444 -15.206 1.00 0.00 C ATOM 928 O ASP A 56 4.384 0.933 -15.595 1.00 0.00 O ATOM 929 CB ASP A 56 6.243 3.304 -13.535 1.00 0.00 C ATOM 930 CG ASP A 56 6.150 3.948 -12.141 1.00 0.00 C ATOM 931 OD1 ASP A 56 6.890 3.524 -11.227 1.00 0.00 O ATOM 932 OD2 ASP A 56 5.348 4.889 -11.960 1.00 0.00 O ATOM 0 H ASP A 56 7.111 1.114 -12.594 1.00 0.00 H new ATOM 0 HA ASP A 56 4.496 2.106 -13.410 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.297 3.171 -13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.834 4.006 -14.262 1.00 0.00 H new ATOM 937 N SER A 57 6.527 1.540 -15.996 1.00 0.00 N ATOM 938 CA SER A 57 6.639 0.881 -17.323 1.00 0.00 C ATOM 939 C SER A 57 8.121 0.868 -17.748 1.00 0.00 C ATOM 940 O SER A 57 8.760 1.945 -17.799 1.00 0.00 O ATOM 941 CB SER A 57 5.747 1.482 -18.437 1.00 0.00 C ATOM 942 OG SER A 57 6.008 2.863 -18.656 1.00 0.00 O ATOM 943 OXT SER A 57 8.648 -0.224 -18.053 1.00 0.00 O ATOM 0 H SER A 57 7.356 2.075 -15.736 1.00 0.00 H new ATOM 0 HA SER A 57 6.258 -0.132 -17.197 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.910 0.933 -19.364 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.699 1.351 -18.169 1.00 0.00 H new ATOM 0 HG SER A 57 6.861 3.105 -18.238 1.00 0.00 H new TER 949 SER A 57