USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 401 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 3 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 9 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.14) USER MOD Single : A 10 LYS NZ :NH3+ -148:sc= 0.598 (180deg=0.113) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -76:sc= 1.23 USER MOD Single : A 23 THR OG1 : rot 71:sc= 1.09 USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= -0.0178 (180deg=-0.128) USER MOD Single : A 30 THR OG1 : rot 81:sc= 1.85 USER MOD Single : A 32 THR OG1 : rot -77:sc= 1.01 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 1 (180deg=0.626) USER MOD Single : A 36 SER OG : rot -32:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc=-0.00715 (180deg=-0.119) USER MOD Single : A 40 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= 0.644 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0295) USER MOD Single : A 46 MET CE :methyl -150:sc= 0 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -14.162 8.799 10.512 1.00 0.00 N ATOM 19 CA ALA A 2 -13.629 7.451 10.342 1.00 0.00 C ATOM 20 C ALA A 2 -14.442 6.655 9.319 1.00 0.00 C ATOM 21 O ALA A 2 -13.879 6.098 8.379 1.00 0.00 O ATOM 22 CB ALA A 2 -13.591 6.737 11.695 1.00 0.00 C ATOM 0 HA ALA A 2 -12.613 7.525 9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.193 5.731 11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.954 7.293 12.382 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.600 6.678 12.103 1.00 0.00 H new ATOM 28 N SER A 3 -15.768 6.647 9.485 1.00 0.00 N ATOM 29 CA SER A 3 -16.709 6.031 8.566 1.00 0.00 C ATOM 30 C SER A 3 -16.430 6.453 7.120 1.00 0.00 C ATOM 31 O SER A 3 -16.229 5.617 6.244 1.00 0.00 O ATOM 32 CB SER A 3 -18.126 6.421 9.002 1.00 0.00 C ATOM 33 OG SER A 3 -18.195 6.383 10.417 1.00 0.00 O ATOM 0 H SER A 3 -16.222 7.083 10.288 1.00 0.00 H new ATOM 0 HA SER A 3 -16.602 4.947 8.596 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.371 7.419 8.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.856 5.736 8.570 1.00 0.00 H new ATOM 0 HG SER A 3 -19.097 6.633 10.707 1.00 0.00 H new ATOM 39 N VAL A 4 -16.389 7.760 6.869 1.00 0.00 N ATOM 40 CA VAL A 4 -16.168 8.288 5.534 1.00 0.00 C ATOM 41 C VAL A 4 -14.802 7.828 5.027 1.00 0.00 C ATOM 42 O VAL A 4 -14.693 7.338 3.905 1.00 0.00 O ATOM 43 CB VAL A 4 -16.301 9.818 5.550 1.00 0.00 C ATOM 44 CG1 VAL A 4 -16.041 10.413 4.161 1.00 0.00 C ATOM 45 CG2 VAL A 4 -17.691 10.240 6.040 1.00 0.00 C ATOM 0 H VAL A 4 -16.508 8.476 7.585 1.00 0.00 H new ATOM 0 HA VAL A 4 -16.922 7.906 4.846 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.549 10.203 6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -16.143 11.497 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -15.032 10.156 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -16.763 10.009 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -17.761 11.328 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -18.451 9.829 5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -17.850 9.864 7.051 1.00 0.00 H new ATOM 55 N LEU A 5 -13.761 7.959 5.857 1.00 0.00 N ATOM 56 CA LEU A 5 -12.422 7.526 5.479 1.00 0.00 C ATOM 57 C LEU A 5 -12.436 6.063 5.023 1.00 0.00 C ATOM 58 O LEU A 5 -11.990 5.765 3.915 1.00 0.00 O ATOM 59 CB LEU A 5 -11.416 7.751 6.618 1.00 0.00 C ATOM 60 CG LEU A 5 -11.258 9.221 7.046 1.00 0.00 C ATOM 61 CD1 LEU A 5 -10.283 9.301 8.226 1.00 0.00 C ATOM 62 CD2 LEU A 5 -10.742 10.110 5.909 1.00 0.00 C ATOM 0 H LEU A 5 -13.825 8.361 6.792 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.095 8.137 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.728 7.165 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.443 7.369 6.308 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.245 9.587 7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.168 10.341 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.673 8.717 9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.314 8.902 7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.648 11.136 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.768 9.750 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.443 10.077 5.075 1.00 0.00 H new ATOM 74 N GLU A 6 -12.953 5.146 5.851 1.00 0.00 N ATOM 75 CA GLU A 6 -12.970 3.735 5.483 1.00 0.00 C ATOM 76 C GLU A 6 -13.825 3.492 4.233 1.00 0.00 C ATOM 77 O GLU A 6 -13.395 2.756 3.351 1.00 0.00 O ATOM 78 CB GLU A 6 -13.324 2.821 6.666 1.00 0.00 C ATOM 79 CG GLU A 6 -14.750 2.997 7.197 1.00 0.00 C ATOM 80 CD GLU A 6 -15.012 2.129 8.421 1.00 0.00 C ATOM 81 OE1 GLU A 6 -14.977 0.890 8.254 1.00 0.00 O ATOM 82 OE2 GLU A 6 -15.242 2.718 9.499 1.00 0.00 O ATOM 0 H GLU A 6 -13.357 5.356 6.764 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.952 3.454 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.188 1.783 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.621 3.009 7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.916 4.044 7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.463 2.743 6.413 1.00 0.00 H new ATOM 89 N GLU A 7 -15.005 4.119 4.130 1.00 0.00 N ATOM 90 CA GLU A 7 -15.855 4.013 2.945 1.00 0.00 C ATOM 91 C GLU A 7 -15.054 4.352 1.682 1.00 0.00 C ATOM 92 O GLU A 7 -14.940 3.542 0.759 1.00 0.00 O ATOM 93 CB GLU A 7 -17.060 4.962 3.071 1.00 0.00 C ATOM 94 CG GLU A 7 -18.082 4.519 4.129 1.00 0.00 C ATOM 95 CD GLU A 7 -18.972 5.676 4.582 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.322 6.503 3.712 1.00 0.00 O ATOM 97 OE2 GLU A 7 -19.279 5.725 5.794 1.00 0.00 O ATOM 0 H GLU A 7 -15.392 4.711 4.865 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.216 2.988 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.701 5.961 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.558 5.034 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.703 3.721 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.557 4.106 4.990 1.00 0.00 H new ATOM 104 N LEU A 8 -14.499 5.565 1.644 1.00 0.00 N ATOM 105 CA LEU A 8 -13.778 6.049 0.477 1.00 0.00 C ATOM 106 C LEU A 8 -12.541 5.180 0.223 1.00 0.00 C ATOM 107 O LEU A 8 -12.245 4.862 -0.925 1.00 0.00 O ATOM 108 CB LEU A 8 -13.443 7.540 0.636 1.00 0.00 C ATOM 109 CG LEU A 8 -14.688 8.424 0.817 1.00 0.00 C ATOM 110 CD1 LEU A 8 -14.206 9.846 1.103 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.601 8.434 -0.415 1.00 0.00 C ATOM 0 H LEU A 8 -14.539 6.230 2.416 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.410 5.964 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.786 7.668 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.890 7.877 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.280 8.019 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.066 10.502 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.602 9.850 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.606 10.202 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.462 9.075 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.048 8.814 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.943 7.420 -0.623 1.00 0.00 H new ATOM 123 N GLN A 9 -11.836 4.751 1.276 1.00 0.00 N ATOM 124 CA GLN A 9 -10.704 3.845 1.131 1.00 0.00 C ATOM 125 C GLN A 9 -11.135 2.514 0.501 1.00 0.00 C ATOM 126 O GLN A 9 -10.454 2.006 -0.385 1.00 0.00 O ATOM 127 CB GLN A 9 -10.013 3.640 2.488 1.00 0.00 C ATOM 128 CG GLN A 9 -8.682 2.878 2.373 1.00 0.00 C ATOM 129 CD GLN A 9 -7.648 3.589 1.502 1.00 0.00 C ATOM 130 OE1 GLN A 9 -7.070 2.994 0.600 1.00 0.00 O ATOM 131 NE2 GLN A 9 -7.401 4.871 1.756 1.00 0.00 N ATOM 0 H GLN A 9 -12.035 5.021 2.239 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.981 4.296 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.831 4.611 2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.683 3.093 3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.268 2.733 3.371 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.874 1.887 1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.895 5.345 2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.718 5.380 1.195 1.00 0.00 H new ATOM 140 N LYS A 10 -12.260 1.940 0.936 1.00 0.00 N ATOM 141 CA LYS A 10 -12.790 0.713 0.349 1.00 0.00 C ATOM 142 C LYS A 10 -13.048 0.952 -1.142 1.00 0.00 C ATOM 143 O LYS A 10 -12.645 0.160 -1.992 1.00 0.00 O ATOM 144 CB LYS A 10 -14.065 0.273 1.092 1.00 0.00 C ATOM 145 CG LYS A 10 -14.267 -1.250 1.146 1.00 0.00 C ATOM 146 CD LYS A 10 -14.365 -1.971 -0.207 1.00 0.00 C ATOM 147 CE LYS A 10 -15.539 -1.484 -1.066 1.00 0.00 C ATOM 148 NZ LYS A 10 -15.641 -2.271 -2.308 1.00 0.00 N ATOM 0 H LYS A 10 -12.824 2.312 1.700 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.068 -0.097 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.031 0.660 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.930 0.726 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.440 -1.685 1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.177 -1.455 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.435 -1.826 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.469 -3.042 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.467 -1.566 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.405 -0.430 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.009 -1.668 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.700 -2.628 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.286 -3.073 -2.159 1.00 0.00 H new ATOM 162 N ASP A 11 -13.707 2.065 -1.473 1.00 0.00 N ATOM 163 CA ASP A 11 -13.969 2.399 -2.867 1.00 0.00 C ATOM 164 C ASP A 11 -12.658 2.562 -3.654 1.00 0.00 C ATOM 165 O ASP A 11 -12.544 2.095 -4.786 1.00 0.00 O ATOM 166 CB ASP A 11 -14.860 3.641 -2.946 1.00 0.00 C ATOM 167 CG ASP A 11 -15.402 3.847 -4.356 1.00 0.00 C ATOM 168 OD1 ASP A 11 -15.956 2.870 -4.905 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.264 4.982 -4.853 1.00 0.00 O ATOM 0 H ASP A 11 -14.064 2.742 -0.799 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.507 1.576 -3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.690 3.541 -2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.291 4.519 -2.641 1.00 0.00 H new ATOM 174 N LEU A 12 -11.643 3.180 -3.045 1.00 0.00 N ATOM 175 CA LEU A 12 -10.315 3.284 -3.627 1.00 0.00 C ATOM 176 C LEU A 12 -9.764 1.885 -3.920 1.00 0.00 C ATOM 177 O LEU A 12 -9.314 1.608 -5.029 1.00 0.00 O ATOM 178 CB LEU A 12 -9.372 4.071 -2.710 1.00 0.00 C ATOM 179 CG LEU A 12 -8.108 4.487 -3.480 1.00 0.00 C ATOM 180 CD1 LEU A 12 -8.294 5.857 -4.141 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.919 4.516 -2.525 1.00 0.00 C ATOM 0 H LEU A 12 -11.726 3.623 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.386 3.832 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.880 4.955 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.098 3.462 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.922 3.758 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.386 6.128 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.130 5.814 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.499 6.605 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.022 4.811 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.111 5.233 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.773 3.525 -2.095 1.00 0.00 H new ATOM 193 N GLU A 13 -9.807 0.994 -2.925 1.00 0.00 N ATOM 194 CA GLU A 13 -9.401 -0.395 -3.080 1.00 0.00 C ATOM 195 C GLU A 13 -10.129 -1.020 -4.273 1.00 0.00 C ATOM 196 O GLU A 13 -9.501 -1.666 -5.109 1.00 0.00 O ATOM 197 CB GLU A 13 -9.642 -1.164 -1.773 1.00 0.00 C ATOM 198 CG GLU A 13 -9.034 -2.571 -1.812 1.00 0.00 C ATOM 199 CD GLU A 13 -9.306 -3.317 -0.511 1.00 0.00 C ATOM 200 OE1 GLU A 13 -10.474 -3.723 -0.323 1.00 0.00 O ATOM 201 OE2 GLU A 13 -8.347 -3.453 0.281 1.00 0.00 O ATOM 0 H GLU A 13 -10.128 1.224 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.333 -0.448 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.213 -0.607 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.714 -1.237 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.452 -3.129 -2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.959 -2.503 -1.979 1.00 0.00 H new ATOM 208 N GLU A 14 -11.443 -0.799 -4.369 1.00 0.00 N ATOM 209 CA GLU A 14 -12.232 -1.265 -5.498 1.00 0.00 C ATOM 210 C GLU A 14 -11.619 -0.788 -6.819 1.00 0.00 C ATOM 211 O GLU A 14 -11.348 -1.613 -7.693 1.00 0.00 O ATOM 212 CB GLU A 14 -13.701 -0.841 -5.351 1.00 0.00 C ATOM 213 CG GLU A 14 -14.614 -1.691 -6.244 1.00 0.00 C ATOM 214 CD GLU A 14 -16.079 -1.294 -6.090 1.00 0.00 C ATOM 215 OE1 GLU A 14 -16.567 -1.365 -4.940 1.00 0.00 O ATOM 216 OE2 GLU A 14 -16.688 -0.941 -7.123 1.00 0.00 O ATOM 0 H GLU A 14 -11.982 -0.293 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.216 -2.355 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.009 -0.942 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.807 0.211 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.313 -1.577 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.493 -2.744 -5.991 1.00 0.00 H new ATOM 223 N VAL A 15 -11.375 0.521 -6.978 1.00 0.00 N ATOM 224 CA VAL A 15 -10.809 0.979 -8.245 1.00 0.00 C ATOM 225 C VAL A 15 -9.421 0.391 -8.464 1.00 0.00 C ATOM 226 O VAL A 15 -9.133 -0.008 -9.583 1.00 0.00 O ATOM 227 CB VAL A 15 -10.878 2.497 -8.474 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.291 3.329 -7.338 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.173 2.900 -9.776 1.00 0.00 C ATOM 0 H VAL A 15 -11.551 1.245 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.460 0.587 -9.026 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.945 2.713 -8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.380 4.388 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.834 3.120 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.240 3.074 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.241 3.980 -9.907 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.125 2.605 -9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.652 2.401 -10.619 1.00 0.00 H new ATOM 239 N LYS A 16 -8.569 0.296 -7.441 1.00 0.00 N ATOM 240 CA LYS A 16 -7.266 -0.346 -7.615 1.00 0.00 C ATOM 241 C LYS A 16 -7.419 -1.786 -8.133 1.00 0.00 C ATOM 242 O LYS A 16 -6.807 -2.162 -9.131 1.00 0.00 O ATOM 243 CB LYS A 16 -6.449 -0.277 -6.318 1.00 0.00 C ATOM 244 CG LYS A 16 -6.034 1.173 -6.022 1.00 0.00 C ATOM 245 CD LYS A 16 -5.109 1.294 -4.803 1.00 0.00 C ATOM 246 CE LYS A 16 -5.803 0.876 -3.502 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.985 1.205 -2.321 1.00 0.00 N ATOM 0 H LYS A 16 -8.753 0.648 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.711 0.203 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.037 -0.670 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.562 -0.905 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.531 1.587 -6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.928 1.774 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.226 0.674 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.763 2.324 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.769 1.376 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.000 -0.196 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.485 0.908 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.073 0.708 -2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.819 2.231 -2.289 1.00 0.00 H new ATOM 261 N VAL A 17 -8.266 -2.588 -7.485 1.00 0.00 N ATOM 262 CA VAL A 17 -8.544 -3.953 -7.918 1.00 0.00 C ATOM 263 C VAL A 17 -8.993 -3.962 -9.386 1.00 0.00 C ATOM 264 O VAL A 17 -8.432 -4.693 -10.205 1.00 0.00 O ATOM 265 CB VAL A 17 -9.565 -4.603 -6.966 1.00 0.00 C ATOM 266 CG1 VAL A 17 -10.112 -5.925 -7.518 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.909 -4.887 -5.607 1.00 0.00 C ATOM 0 H VAL A 17 -8.776 -2.308 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.637 -4.555 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.391 -3.899 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.828 -6.346 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.607 -5.744 -8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.290 -6.627 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.638 -5.347 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.066 -5.564 -5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.557 -3.952 -5.171 1.00 0.00 H new ATOM 277 N LEU A 18 -9.993 -3.147 -9.735 1.00 0.00 N ATOM 278 CA LEU A 18 -10.466 -3.068 -11.112 1.00 0.00 C ATOM 279 C LEU A 18 -9.346 -2.645 -12.066 1.00 0.00 C ATOM 280 O LEU A 18 -9.209 -3.228 -13.137 1.00 0.00 O ATOM 281 CB LEU A 18 -11.659 -2.112 -11.234 1.00 0.00 C ATOM 282 CG LEU A 18 -12.939 -2.593 -10.531 1.00 0.00 C ATOM 283 CD1 LEU A 18 -14.013 -1.515 -10.716 1.00 0.00 C ATOM 284 CD2 LEU A 18 -13.464 -3.918 -11.099 1.00 0.00 C ATOM 0 H LEU A 18 -10.486 -2.537 -9.083 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.795 -4.067 -11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.376 -1.144 -10.821 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.877 -1.957 -12.291 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.706 -2.762 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.934 -1.831 -10.226 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.669 -0.580 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.200 -1.367 -11.779 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.369 -4.210 -10.565 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.691 -3.795 -12.158 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.706 -4.692 -10.978 1.00 0.00 H new ATOM 296 N LEU A 19 -8.556 -1.636 -11.694 1.00 0.00 N ATOM 297 CA LEU A 19 -7.431 -1.117 -12.464 1.00 0.00 C ATOM 298 C LEU A 19 -6.514 -2.283 -12.837 1.00 0.00 C ATOM 299 O LEU A 19 -6.227 -2.506 -14.012 1.00 0.00 O ATOM 300 CB LEU A 19 -6.687 -0.057 -11.624 1.00 0.00 C ATOM 301 CG LEU A 19 -5.619 0.748 -12.378 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.246 2.012 -12.973 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.500 1.163 -11.415 1.00 0.00 C ATOM 0 H LEU A 19 -8.690 -1.140 -10.813 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.775 -0.639 -13.381 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.420 0.638 -11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.213 -0.555 -10.778 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.210 0.125 -13.174 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.484 2.580 -13.507 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.041 1.733 -13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.660 2.625 -12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.746 1.734 -11.957 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.916 1.778 -10.617 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.041 0.273 -10.985 1.00 0.00 H new ATOM 315 N GLU A 20 -6.088 -3.038 -11.821 1.00 0.00 N ATOM 316 CA GLU A 20 -5.234 -4.202 -11.990 1.00 0.00 C ATOM 317 C GLU A 20 -5.887 -5.231 -12.920 1.00 0.00 C ATOM 318 O GLU A 20 -5.258 -5.696 -13.865 1.00 0.00 O ATOM 319 CB GLU A 20 -4.926 -4.810 -10.615 1.00 0.00 C ATOM 320 CG GLU A 20 -4.059 -3.876 -9.758 1.00 0.00 C ATOM 321 CD GLU A 20 -3.992 -4.357 -8.311 1.00 0.00 C ATOM 322 OE1 GLU A 20 -3.362 -5.416 -8.099 1.00 0.00 O ATOM 323 OE2 GLU A 20 -4.574 -3.666 -7.446 1.00 0.00 O ATOM 0 H GLU A 20 -6.333 -2.850 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.298 -3.895 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.860 -5.019 -10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.413 -5.763 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.053 -3.826 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.467 -2.866 -9.790 1.00 0.00 H new ATOM 330 N LYS A 21 -7.133 -5.619 -12.633 1.00 0.00 N ATOM 331 CA LYS A 21 -7.780 -6.712 -13.350 1.00 0.00 C ATOM 332 C LYS A 21 -8.135 -6.346 -14.795 1.00 0.00 C ATOM 333 O LYS A 21 -7.757 -7.054 -15.726 1.00 0.00 O ATOM 334 CB LYS A 21 -9.020 -7.178 -12.574 1.00 0.00 C ATOM 335 CG LYS A 21 -8.616 -7.902 -11.284 1.00 0.00 C ATOM 336 CD LYS A 21 -9.863 -8.356 -10.517 1.00 0.00 C ATOM 337 CE LYS A 21 -9.462 -9.215 -9.313 1.00 0.00 C ATOM 338 NZ LYS A 21 -10.631 -9.556 -8.484 1.00 0.00 N ATOM 0 H LYS A 21 -7.710 -5.190 -11.909 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.066 -7.533 -13.415 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.647 -6.320 -12.333 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.616 -7.844 -13.198 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.993 -8.764 -11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.017 -7.239 -10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.428 -7.487 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.517 -8.925 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.981 -10.129 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.730 -8.679 -8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.327 -10.138 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.075 -8.683 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.318 -10.088 -9.055 1.00 0.00 H new ATOM 352 N SER A 22 -8.901 -5.268 -14.990 1.00 0.00 N ATOM 353 CA SER A 22 -9.498 -4.923 -16.276 1.00 0.00 C ATOM 354 C SER A 22 -8.485 -4.900 -17.425 1.00 0.00 C ATOM 355 O SER A 22 -8.759 -5.476 -18.476 1.00 0.00 O ATOM 356 CB SER A 22 -10.289 -3.615 -16.156 1.00 0.00 C ATOM 357 OG SER A 22 -9.450 -2.548 -15.769 1.00 0.00 O ATOM 0 H SER A 22 -9.124 -4.605 -14.248 1.00 0.00 H new ATOM 0 HA SER A 22 -10.196 -5.718 -16.540 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.761 -3.383 -17.111 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.089 -3.736 -15.426 1.00 0.00 H new ATOM 0 HG SER A 22 -9.246 -2.623 -14.813 1.00 0.00 H new ATOM 363 N THR A 23 -7.327 -4.259 -17.234 1.00 0.00 N ATOM 364 CA THR A 23 -6.183 -4.276 -18.151 1.00 0.00 C ATOM 365 C THR A 23 -6.402 -3.480 -19.446 1.00 0.00 C ATOM 366 O THR A 23 -5.606 -2.608 -19.795 1.00 0.00 O ATOM 367 CB THR A 23 -5.725 -5.721 -18.434 1.00 0.00 C ATOM 368 OG1 THR A 23 -5.495 -6.403 -17.219 1.00 0.00 O ATOM 369 CG2 THR A 23 -4.412 -5.752 -19.222 1.00 0.00 C ATOM 0 H THR A 23 -7.155 -3.692 -16.404 1.00 0.00 H new ATOM 0 HA THR A 23 -5.378 -3.752 -17.635 1.00 0.00 H new ATOM 0 HB THR A 23 -6.517 -6.196 -19.014 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.351 -6.580 -16.776 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.120 -6.787 -19.403 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.548 -5.241 -20.175 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.632 -5.250 -18.649 1.00 0.00 H new ATOM 377 N ARG A 24 -7.465 -3.786 -20.185 1.00 0.00 N ATOM 378 CA ARG A 24 -7.714 -3.305 -21.532 1.00 0.00 C ATOM 379 C ARG A 24 -8.183 -1.846 -21.548 1.00 0.00 C ATOM 380 O ARG A 24 -9.330 -1.576 -21.900 1.00 0.00 O ATOM 381 CB ARG A 24 -8.746 -4.240 -22.192 1.00 0.00 C ATOM 382 CG ARG A 24 -8.429 -5.741 -22.056 1.00 0.00 C ATOM 383 CD ARG A 24 -7.134 -6.140 -22.769 1.00 0.00 C ATOM 384 NE ARG A 24 -6.886 -7.580 -22.617 1.00 0.00 N ATOM 385 CZ ARG A 24 -5.813 -8.227 -23.095 1.00 0.00 C ATOM 386 NH1 ARG A 24 -4.874 -7.565 -23.780 1.00 0.00 N ATOM 387 NH2 ARG A 24 -5.688 -9.541 -22.882 1.00 0.00 N ATOM 0 H ARG A 24 -8.204 -4.401 -19.844 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.783 -3.321 -22.098 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.725 -4.047 -21.753 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.817 -3.991 -23.251 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.351 -5.997 -20.999 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.257 -6.321 -22.464 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.201 -5.886 -23.827 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.297 -5.575 -22.358 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.581 -8.128 -22.111 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.972 -6.563 -23.941 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.060 -8.063 -24.141 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.406 -10.043 -22.360 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.875 -10.041 -23.242 1.00 0.00 H new ATOM 401 N LYS A 25 -7.320 -0.900 -21.157 1.00 0.00 N ATOM 402 CA LYS A 25 -7.514 0.554 -21.268 1.00 0.00 C ATOM 403 C LYS A 25 -8.527 1.121 -20.258 1.00 0.00 C ATOM 404 O LYS A 25 -8.345 2.233 -19.757 1.00 0.00 O ATOM 405 CB LYS A 25 -7.877 0.949 -22.710 1.00 0.00 C ATOM 406 CG LYS A 25 -7.638 2.444 -22.970 1.00 0.00 C ATOM 407 CD LYS A 25 -8.057 2.871 -24.386 1.00 0.00 C ATOM 408 CE LYS A 25 -9.558 2.711 -24.667 1.00 0.00 C ATOM 409 NZ LYS A 25 -10.390 3.407 -23.668 1.00 0.00 N ATOM 0 H LYS A 25 -6.423 -1.138 -20.734 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.558 1.009 -21.010 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.283 0.359 -23.409 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.923 0.710 -22.900 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.194 3.030 -22.238 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.582 2.670 -22.824 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.778 3.914 -24.537 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.497 2.283 -25.113 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.783 3.101 -25.660 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.813 1.651 -24.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.385 3.387 -23.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.298 2.931 -22.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.074 4.394 -23.581 1.00 0.00 H new ATOM 423 N ARG A 26 -9.574 0.345 -19.950 1.00 0.00 N ATOM 424 CA ARG A 26 -10.665 0.625 -19.025 1.00 0.00 C ATOM 425 C ARG A 26 -10.162 1.280 -17.736 1.00 0.00 C ATOM 426 O ARG A 26 -10.872 2.084 -17.132 1.00 0.00 O ATOM 427 CB ARG A 26 -11.403 -0.704 -18.783 1.00 0.00 C ATOM 428 CG ARG A 26 -12.553 -0.652 -17.770 1.00 0.00 C ATOM 429 CD ARG A 26 -13.716 0.254 -18.204 1.00 0.00 C ATOM 430 NE ARG A 26 -14.162 1.098 -17.089 1.00 0.00 N ATOM 431 CZ ARG A 26 -15.142 2.006 -17.145 1.00 0.00 C ATOM 432 NH1 ARG A 26 -15.863 2.163 -18.261 1.00 0.00 N ATOM 433 NH2 ARG A 26 -15.383 2.762 -16.071 1.00 0.00 N ATOM 0 H ARG A 26 -9.683 -0.572 -20.382 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.358 1.353 -19.448 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.798 -1.057 -19.735 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.678 -1.444 -18.444 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.931 -1.662 -17.610 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.167 -0.300 -16.813 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.403 0.881 -19.038 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.546 -0.357 -18.559 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.684 0.982 -16.196 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.667 1.587 -19.080 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.608 2.859 -18.293 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.824 2.642 -15.227 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.126 3.460 -16.095 1.00 0.00 H new ATOM 447 N LEU A 27 -8.933 0.943 -17.333 1.00 0.00 N ATOM 448 CA LEU A 27 -8.169 1.592 -16.278 1.00 0.00 C ATOM 449 C LEU A 27 -8.481 3.084 -16.204 1.00 0.00 C ATOM 450 O LEU A 27 -8.857 3.582 -15.149 1.00 0.00 O ATOM 451 CB LEU A 27 -6.662 1.458 -16.564 1.00 0.00 C ATOM 452 CG LEU A 27 -6.052 0.111 -16.170 1.00 0.00 C ATOM 453 CD1 LEU A 27 -6.578 -1.041 -17.018 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.530 0.173 -16.337 1.00 0.00 C ATOM 0 H LEU A 27 -8.423 0.169 -17.760 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.440 1.108 -15.340 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.493 1.620 -17.628 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.134 2.250 -16.033 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.332 -0.074 -15.133 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.112 -1.972 -16.696 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.659 -1.116 -16.900 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.340 -0.860 -18.066 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.094 -0.786 -16.057 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.287 0.392 -17.377 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.125 0.957 -15.697 1.00 0.00 H new ATOM 466 N ARG A 28 -8.298 3.800 -17.317 1.00 0.00 N ATOM 467 CA ARG A 28 -8.382 5.255 -17.330 1.00 0.00 C ATOM 468 C ARG A 28 -9.802 5.713 -16.990 1.00 0.00 C ATOM 469 O ARG A 28 -10.008 6.580 -16.136 1.00 0.00 O ATOM 470 CB ARG A 28 -7.914 5.773 -18.697 1.00 0.00 C ATOM 471 CG ARG A 28 -7.942 7.304 -18.830 1.00 0.00 C ATOM 472 CD ARG A 28 -7.264 8.035 -17.665 1.00 0.00 C ATOM 473 NE ARG A 28 -5.919 7.511 -17.394 1.00 0.00 N ATOM 474 CZ ARG A 28 -5.228 7.734 -16.267 1.00 0.00 C ATOM 475 NH1 ARG A 28 -5.719 8.539 -15.318 1.00 0.00 N ATOM 476 NH2 ARG A 28 -4.039 7.149 -16.096 1.00 0.00 N ATOM 0 H ARG A 28 -8.089 3.387 -18.226 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.727 5.674 -16.566 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.898 5.422 -18.879 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.545 5.340 -19.473 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.451 7.588 -19.761 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.978 7.635 -18.902 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.199 9.099 -17.893 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.878 7.938 -16.770 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.480 6.937 -18.114 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.625 8.988 -15.449 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.187 8.703 -14.463 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.663 6.537 -16.820 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.508 7.314 -15.241 1.00 0.00 H new ATOM 490 N ASP A 29 -10.783 5.111 -17.661 1.00 0.00 N ATOM 491 CA ASP A 29 -12.201 5.376 -17.460 1.00 0.00 C ATOM 492 C ASP A 29 -12.560 5.147 -15.991 1.00 0.00 C ATOM 493 O ASP A 29 -13.172 5.988 -15.337 1.00 0.00 O ATOM 494 CB ASP A 29 -13.025 4.449 -18.366 1.00 0.00 C ATOM 495 CG ASP A 29 -12.634 4.558 -19.835 1.00 0.00 C ATOM 496 OD1 ASP A 29 -11.576 3.983 -20.180 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.393 5.208 -20.585 1.00 0.00 O ATOM 0 H ASP A 29 -10.605 4.407 -18.378 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.425 6.411 -17.717 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.896 3.418 -18.036 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.083 4.689 -18.258 1.00 0.00 H new ATOM 502 N THR A 30 -12.153 3.989 -15.471 1.00 0.00 N ATOM 503 CA THR A 30 -12.410 3.597 -14.096 1.00 0.00 C ATOM 504 C THR A 30 -11.743 4.575 -13.129 1.00 0.00 C ATOM 505 O THR A 30 -12.374 5.012 -12.173 1.00 0.00 O ATOM 506 CB THR A 30 -11.945 2.154 -13.871 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.386 1.347 -14.940 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.547 1.562 -12.598 1.00 0.00 C ATOM 0 H THR A 30 -11.630 3.293 -16.003 1.00 0.00 H new ATOM 0 HA THR A 30 -13.482 3.634 -13.901 1.00 0.00 H new ATOM 0 HB THR A 30 -10.858 2.174 -13.794 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.779 1.453 -15.702 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.195 0.538 -12.471 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.242 2.160 -11.739 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.634 1.565 -12.674 1.00 0.00 H new ATOM 516 N LEU A 31 -10.478 4.926 -13.375 1.00 0.00 N ATOM 517 CA LEU A 31 -9.713 5.839 -12.542 1.00 0.00 C ATOM 518 C LEU A 31 -10.446 7.172 -12.463 1.00 0.00 C ATOM 519 O LEU A 31 -10.828 7.601 -11.378 1.00 0.00 O ATOM 520 CB LEU A 31 -8.283 5.966 -13.093 1.00 0.00 C ATOM 521 CG LEU A 31 -7.289 6.796 -12.258 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.541 8.308 -12.315 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.214 6.324 -10.802 1.00 0.00 C ATOM 0 H LEU A 31 -9.953 4.573 -14.175 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.623 5.458 -11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.874 4.963 -13.210 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.340 6.405 -14.089 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.322 6.619 -12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.801 8.824 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.461 8.652 -13.346 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.540 8.525 -11.937 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.500 6.941 -10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.197 6.412 -10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.891 5.283 -10.773 1.00 0.00 H new ATOM 535 N THR A 32 -10.658 7.820 -13.610 1.00 0.00 N ATOM 536 CA THR A 32 -11.322 9.118 -13.658 1.00 0.00 C ATOM 537 C THR A 32 -12.697 9.050 -12.985 1.00 0.00 C ATOM 538 O THR A 32 -13.005 9.862 -12.107 1.00 0.00 O ATOM 539 CB THR A 32 -11.409 9.616 -15.108 1.00 0.00 C ATOM 540 OG1 THR A 32 -11.916 8.608 -15.959 1.00 0.00 O ATOM 541 CG2 THR A 32 -10.032 10.051 -15.614 1.00 0.00 C ATOM 0 H THR A 32 -10.376 7.462 -14.522 1.00 0.00 H new ATOM 0 HA THR A 32 -10.730 9.842 -13.098 1.00 0.00 H new ATOM 0 HB THR A 32 -12.087 10.470 -15.121 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.209 7.957 -16.152 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.116 10.400 -16.643 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.652 10.858 -14.987 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.345 9.205 -15.573 1.00 0.00 H new ATOM 549 N SER A 33 -13.513 8.067 -13.380 1.00 0.00 N ATOM 550 CA SER A 33 -14.836 7.871 -12.811 1.00 0.00 C ATOM 551 C SER A 33 -14.751 7.763 -11.285 1.00 0.00 C ATOM 552 O SER A 33 -15.312 8.597 -10.575 1.00 0.00 O ATOM 553 CB SER A 33 -15.510 6.644 -13.440 1.00 0.00 C ATOM 554 OG SER A 33 -16.852 6.540 -13.006 1.00 0.00 O ATOM 0 H SER A 33 -13.269 7.390 -14.102 1.00 0.00 H new ATOM 0 HA SER A 33 -15.457 8.737 -13.040 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.478 6.721 -14.527 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.963 5.742 -13.168 1.00 0.00 H new ATOM 0 HG SER A 33 -17.269 5.754 -13.417 1.00 0.00 H new ATOM 560 N GLU A 34 -14.034 6.763 -10.768 1.00 0.00 N ATOM 561 CA GLU A 34 -13.995 6.515 -9.337 1.00 0.00 C ATOM 562 C GLU A 34 -13.402 7.714 -8.597 1.00 0.00 C ATOM 563 O GLU A 34 -13.908 8.096 -7.552 1.00 0.00 O ATOM 564 CB GLU A 34 -13.228 5.229 -9.010 1.00 0.00 C ATOM 565 CG GLU A 34 -13.704 4.668 -7.659 1.00 0.00 C ATOM 566 CD GLU A 34 -14.849 3.673 -7.838 1.00 0.00 C ATOM 567 OE1 GLU A 34 -15.982 4.145 -8.074 1.00 0.00 O ATOM 568 OE2 GLU A 34 -14.559 2.458 -7.773 1.00 0.00 O ATOM 0 H GLU A 34 -13.475 6.116 -11.324 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.021 6.377 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.385 4.491 -9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.158 5.432 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.871 4.179 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.029 5.487 -7.018 1.00 0.00 H new ATOM 575 N LYS A 35 -12.341 8.322 -9.131 1.00 0.00 N ATOM 576 CA LYS A 35 -11.739 9.510 -8.541 1.00 0.00 C ATOM 577 C LYS A 35 -12.802 10.603 -8.386 1.00 0.00 C ATOM 578 O LYS A 35 -12.987 11.144 -7.293 1.00 0.00 O ATOM 579 CB LYS A 35 -10.532 9.929 -9.397 1.00 0.00 C ATOM 580 CG LYS A 35 -9.630 11.014 -8.792 1.00 0.00 C ATOM 581 CD LYS A 35 -10.174 12.448 -8.853 1.00 0.00 C ATOM 582 CE LYS A 35 -10.505 12.906 -10.279 1.00 0.00 C ATOM 583 NZ LYS A 35 -10.781 14.353 -10.318 1.00 0.00 N ATOM 0 H LYS A 35 -11.879 8.003 -9.982 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.363 9.312 -7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.925 9.045 -9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.899 10.283 -10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.441 10.762 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.669 10.988 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.072 12.516 -8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.439 13.128 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.672 12.673 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.371 12.357 -10.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.375 14.571 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.278 14.635 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.885 14.876 -10.389 1.00 0.00 H new ATOM 597 N SER A 36 -13.520 10.921 -9.469 1.00 0.00 N ATOM 598 CA SER A 36 -14.555 11.945 -9.418 1.00 0.00 C ATOM 599 C SER A 36 -15.635 11.585 -8.388 1.00 0.00 C ATOM 600 O SER A 36 -15.994 12.424 -7.563 1.00 0.00 O ATOM 601 CB SER A 36 -15.117 12.226 -10.817 1.00 0.00 C ATOM 602 OG SER A 36 -15.800 11.114 -11.354 1.00 0.00 O ATOM 0 H SER A 36 -13.401 10.484 -10.383 1.00 0.00 H new ATOM 0 HA SER A 36 -14.110 12.879 -9.076 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.796 13.078 -10.769 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.302 12.505 -11.484 1.00 0.00 H new ATOM 0 HG SER A 36 -15.385 10.287 -11.030 1.00 0.00 H new ATOM 608 N LYS A 37 -16.130 10.342 -8.407 1.00 0.00 N ATOM 609 CA LYS A 37 -17.082 9.839 -7.424 1.00 0.00 C ATOM 610 C LYS A 37 -16.562 10.060 -5.998 1.00 0.00 C ATOM 611 O LYS A 37 -17.239 10.691 -5.191 1.00 0.00 O ATOM 612 CB LYS A 37 -17.381 8.353 -7.673 1.00 0.00 C ATOM 613 CG LYS A 37 -18.105 8.085 -9.002 1.00 0.00 C ATOM 614 CD LYS A 37 -19.614 8.339 -8.893 1.00 0.00 C ATOM 615 CE LYS A 37 -20.315 8.146 -10.245 1.00 0.00 C ATOM 616 NZ LYS A 37 -20.151 6.776 -10.766 1.00 0.00 N ATOM 0 H LYS A 37 -15.875 9.654 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.012 10.397 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.444 7.796 -7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.990 7.971 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.685 8.723 -9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.932 7.053 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.046 7.661 -8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.788 9.353 -8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.377 8.367 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.913 8.858 -10.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.762 6.645 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.159 6.624 -11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.417 6.091 -10.030 1.00 0.00 H new ATOM 630 N ILE A 38 -15.358 9.571 -5.692 1.00 0.00 N ATOM 631 CA ILE A 38 -14.725 9.709 -4.385 1.00 0.00 C ATOM 632 C ILE A 38 -14.721 11.177 -3.958 1.00 0.00 C ATOM 633 O ILE A 38 -15.192 11.497 -2.867 1.00 0.00 O ATOM 634 CB ILE A 38 -13.314 9.079 -4.402 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.462 7.546 -4.403 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.461 9.528 -3.204 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.163 6.802 -4.728 1.00 0.00 C ATOM 0 H ILE A 38 -14.786 9.058 -6.363 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.299 9.163 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.797 9.416 -5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.820 7.224 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.224 7.264 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.479 9.059 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.347 10.612 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.952 9.232 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.345 5.727 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.814 7.095 -5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.404 7.054 -3.987 1.00 0.00 H new ATOM 649 N GLU A 39 -14.215 12.073 -4.813 1.00 0.00 N ATOM 650 CA GLU A 39 -14.225 13.500 -4.518 1.00 0.00 C ATOM 651 C GLU A 39 -15.648 13.986 -4.226 1.00 0.00 C ATOM 652 O GLU A 39 -15.886 14.632 -3.211 1.00 0.00 O ATOM 653 CB GLU A 39 -13.610 14.294 -5.674 1.00 0.00 C ATOM 654 CG GLU A 39 -12.091 14.095 -5.742 1.00 0.00 C ATOM 655 CD GLU A 39 -11.461 14.887 -6.887 1.00 0.00 C ATOM 656 OE1 GLU A 39 -12.166 15.094 -7.899 1.00 0.00 O ATOM 657 OE2 GLU A 39 -10.276 15.254 -6.740 1.00 0.00 O ATOM 0 H GLU A 39 -13.796 11.831 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.620 13.667 -3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.062 13.980 -6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.835 15.353 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.642 14.403 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.869 13.035 -5.869 1.00 0.00 H new ATOM 664 N THR A 40 -16.593 13.677 -5.112 1.00 0.00 N ATOM 665 CA THR A 40 -17.984 14.095 -4.982 1.00 0.00 C ATOM 666 C THR A 40 -18.558 13.661 -3.627 1.00 0.00 C ATOM 667 O THR A 40 -19.150 14.468 -2.907 1.00 0.00 O ATOM 668 CB THR A 40 -18.784 13.538 -6.171 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.219 14.020 -7.373 1.00 0.00 O ATOM 670 CG2 THR A 40 -20.251 13.961 -6.149 1.00 0.00 C ATOM 0 H THR A 40 -16.410 13.123 -5.949 1.00 0.00 H new ATOM 0 HA THR A 40 -18.053 15.183 -5.006 1.00 0.00 H new ATOM 0 HB THR A 40 -18.739 12.451 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.430 13.485 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.765 13.538 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.720 13.599 -5.234 1.00 0.00 H new ATOM 0 HG23 THR A 40 -20.317 15.048 -6.185 1.00 0.00 H new ATOM 678 N GLU A 41 -18.379 12.387 -3.274 1.00 0.00 N ATOM 679 CA GLU A 41 -18.827 11.836 -2.006 1.00 0.00 C ATOM 680 C GLU A 41 -18.162 12.579 -0.846 1.00 0.00 C ATOM 681 O GLU A 41 -18.852 13.073 0.040 1.00 0.00 O ATOM 682 CB GLU A 41 -18.523 10.335 -1.960 1.00 0.00 C ATOM 683 CG GLU A 41 -19.407 9.552 -2.940 1.00 0.00 C ATOM 684 CD GLU A 41 -18.990 8.087 -2.987 1.00 0.00 C ATOM 685 OE1 GLU A 41 -19.400 7.356 -2.059 1.00 0.00 O ATOM 686 OE2 GLU A 41 -18.257 7.732 -3.935 1.00 0.00 O ATOM 0 H GLU A 41 -17.912 11.705 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.905 11.967 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.473 10.168 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.681 9.962 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.451 9.629 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.331 9.989 -3.936 1.00 0.00 H new ATOM 693 N LEU A 42 -16.831 12.667 -0.854 1.00 0.00 N ATOM 694 CA LEU A 42 -16.060 13.371 0.164 1.00 0.00 C ATOM 695 C LEU A 42 -16.602 14.794 0.376 1.00 0.00 C ATOM 696 O LEU A 42 -16.919 15.179 1.501 1.00 0.00 O ATOM 697 CB LEU A 42 -14.576 13.324 -0.233 1.00 0.00 C ATOM 698 CG LEU A 42 -13.629 14.068 0.721 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.556 13.358 2.078 1.00 0.00 C ATOM 700 CD2 LEU A 42 -12.229 14.117 0.100 1.00 0.00 C ATOM 0 H LEU A 42 -16.253 12.244 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 42 -16.160 12.883 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.263 12.281 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.468 13.747 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.009 15.078 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.880 13.902 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.550 13.324 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.187 12.342 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.551 14.644 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.866 13.102 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.273 14.640 -0.855 1.00 0.00 H new ATOM 712 N LYS A 43 -16.748 15.570 -0.702 1.00 0.00 N ATOM 713 CA LYS A 43 -17.326 16.905 -0.640 1.00 0.00 C ATOM 714 C LYS A 43 -18.733 16.872 -0.040 1.00 0.00 C ATOM 715 O LYS A 43 -19.045 17.682 0.834 1.00 0.00 O ATOM 716 CB LYS A 43 -17.341 17.555 -2.029 1.00 0.00 C ATOM 717 CG LYS A 43 -15.946 17.864 -2.598 1.00 0.00 C ATOM 718 CD LYS A 43 -15.179 18.941 -1.815 1.00 0.00 C ATOM 719 CE LYS A 43 -14.078 18.331 -0.938 1.00 0.00 C ATOM 720 NZ LYS A 43 -13.327 19.378 -0.223 1.00 0.00 N ATOM 0 H LYS A 43 -16.467 15.285 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.699 17.511 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.865 16.895 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.913 18.481 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.357 16.947 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.050 18.187 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.736 19.652 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.875 19.500 -1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.522 17.642 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.396 17.749 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.327 19.344 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.722 20.311 -0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.401 19.219 0.802 1.00 0.00 H new ATOM 734 N ASN A 44 -19.603 15.969 -0.505 1.00 0.00 N ATOM 735 CA ASN A 44 -20.949 15.848 0.055 1.00 0.00 C ATOM 736 C ASN A 44 -20.871 15.634 1.565 1.00 0.00 C ATOM 737 O ASN A 44 -21.517 16.353 2.319 1.00 0.00 O ATOM 738 CB ASN A 44 -21.758 14.724 -0.611 1.00 0.00 C ATOM 739 CG ASN A 44 -22.514 15.209 -1.844 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.713 15.474 -1.780 1.00 0.00 O ATOM 741 ND2 ASN A 44 -21.832 15.332 -2.976 1.00 0.00 N ATOM 0 H ASN A 44 -19.399 15.317 -1.262 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.475 16.781 -0.149 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -21.086 13.914 -0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.466 14.313 0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -22.302 15.654 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.838 15.105 -3.000 1.00 0.00 H new ATOM 748 N LYS A 45 -20.074 14.661 2.013 1.00 0.00 N ATOM 749 CA LYS A 45 -19.898 14.376 3.428 1.00 0.00 C ATOM 750 C LYS A 45 -19.412 15.617 4.186 1.00 0.00 C ATOM 751 O LYS A 45 -19.924 15.903 5.264 1.00 0.00 O ATOM 752 CB LYS A 45 -18.947 13.188 3.622 1.00 0.00 C ATOM 753 CG LYS A 45 -19.506 11.863 3.078 1.00 0.00 C ATOM 754 CD LYS A 45 -20.694 11.337 3.898 1.00 0.00 C ATOM 755 CE LYS A 45 -21.023 9.883 3.531 1.00 0.00 C ATOM 756 NZ LYS A 45 -21.404 9.743 2.115 1.00 0.00 N ATOM 0 H LYS A 45 -19.534 14.051 1.399 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.867 14.102 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.001 13.405 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.732 13.074 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.818 12.003 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.714 11.114 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.463 11.403 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.567 11.965 3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.158 9.253 3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.836 9.525 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.715 8.767 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.180 10.400 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.586 9.963 1.512 1.00 0.00 H new ATOM 770 N MET A 46 -18.435 16.352 3.641 1.00 0.00 N ATOM 771 CA MET A 46 -17.967 17.586 4.265 1.00 0.00 C ATOM 772 C MET A 46 -19.100 18.607 4.412 1.00 0.00 C ATOM 773 O MET A 46 -19.329 19.116 5.508 1.00 0.00 O ATOM 774 CB MET A 46 -16.802 18.194 3.475 1.00 0.00 C ATOM 775 CG MET A 46 -15.499 17.416 3.668 1.00 0.00 C ATOM 776 SD MET A 46 -14.082 18.165 2.828 1.00 0.00 S ATOM 777 CE MET A 46 -12.779 17.030 3.341 1.00 0.00 C ATOM 0 H MET A 46 -17.958 16.111 2.772 1.00 0.00 H new ATOM 0 HA MET A 46 -17.613 17.329 5.263 1.00 0.00 H new ATOM 0 HB2 MET A 46 -17.056 18.215 2.415 1.00 0.00 H new ATOM 0 HB3 MET A 46 -16.655 19.228 3.788 1.00 0.00 H new ATOM 0 HG2 MET A 46 -15.283 17.343 4.734 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.634 16.399 3.300 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.831 17.565 3.394 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.019 16.619 4.322 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.698 16.218 2.618 1.00 0.00 H new