USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.224 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -107:sc= -0.568 (180deg=-2.7!) USER MOD Set 2.2: A 32 THR OG1 : rot 51:sc= 0.935 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 72:sc= 1.03 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0308 (180deg=-0.358) USER MOD Single : A 6 LYS NZ :NH3+ -133:sc= -0.599 (180deg=-2.72!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.0561 (180deg=-0.383) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= -0.0298 (180deg=-0.38) USER MOD Single : A 30 SER OG : rot -122:sc= -0.04 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= -0.0332 (180deg=-0.365) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 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 56 GLN : amide:sc= -0.0884 X(o=-0.088,f=-0.088) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.156 2.569 9.356 1.00 0.00 N ATOM 2 CA ALA A 1 0.553 3.036 8.099 1.00 0.00 C ATOM 3 C ALA A 1 -0.403 1.976 7.578 1.00 0.00 C ATOM 4 O ALA A 1 -0.056 0.807 7.426 1.00 0.00 O ATOM 5 CB ALA A 1 1.656 3.299 7.078 1.00 0.00 C ATOM 0 H1 ALA A 1 1.811 3.292 9.716 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.408 2.399 10.058 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.676 1.685 9.184 1.00 0.00 H new ATOM 0 HA ALA A 1 0.001 3.960 8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.213 3.645 6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.334 4.061 7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.211 2.378 6.896 1.00 0.00 H new ATOM 13 N THR A 2 -1.626 2.383 7.293 1.00 0.00 N ATOM 14 CA THR A 2 -2.581 1.416 6.760 1.00 0.00 C ATOM 15 C THR A 2 -3.679 2.158 6.018 1.00 0.00 C ATOM 16 O THR A 2 -3.941 3.336 6.258 1.00 0.00 O ATOM 17 CB THR A 2 -3.169 0.580 7.895 1.00 0.00 C ATOM 18 OG1 THR A 2 -4.090 -0.358 7.355 1.00 0.00 O ATOM 19 CG2 THR A 2 -3.894 1.459 8.911 1.00 0.00 C ATOM 0 H THR A 2 -1.976 3.333 7.413 1.00 0.00 H new ATOM 0 HA THR A 2 -2.075 0.742 6.069 1.00 0.00 H new ATOM 0 HB THR A 2 -2.352 0.067 8.402 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.600 -1.061 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.302 0.835 9.707 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.193 2.177 9.336 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.706 1.993 8.417 1.00 0.00 H new ATOM 27 N VAL A 3 -4.325 1.466 5.098 1.00 0.00 N ATOM 28 CA VAL A 3 -5.381 2.120 4.328 1.00 0.00 C ATOM 29 C VAL A 3 -6.679 1.351 4.511 1.00 0.00 C ATOM 30 O VAL A 3 -6.749 0.141 4.302 1.00 0.00 O ATOM 31 CB VAL A 3 -4.993 2.156 2.850 1.00 0.00 C ATOM 32 CG1 VAL A 3 -6.058 2.903 2.051 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.650 2.859 2.668 1.00 0.00 C ATOM 0 H VAL A 3 -4.151 0.488 4.867 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.516 3.143 4.680 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.913 1.130 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.775 2.925 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.016 2.395 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.144 3.923 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.389 2.876 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.721 3.881 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.880 2.323 3.223 1.00 0.00 H new ATOM 43 N LYS A 4 -7.729 2.055 4.894 1.00 0.00 N ATOM 44 CA LYS A 4 -9.018 1.381 5.019 1.00 0.00 C ATOM 45 C LYS A 4 -9.598 1.166 3.631 1.00 0.00 C ATOM 46 O LYS A 4 -10.247 2.042 3.059 1.00 0.00 O ATOM 47 CB LYS A 4 -9.951 2.247 5.865 1.00 0.00 C ATOM 48 CG LYS A 4 -11.214 1.493 6.288 1.00 0.00 C ATOM 49 CD LYS A 4 -10.933 0.317 7.226 1.00 0.00 C ATOM 50 CE LYS A 4 -10.304 0.765 8.546 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.199 1.705 9.237 1.00 0.00 N ATOM 0 H LYS A 4 -7.725 3.050 5.116 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.899 0.413 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.420 2.590 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.232 3.135 5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.895 2.187 6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.724 1.125 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.864 -0.212 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.267 -0.389 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.114 -0.101 9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.341 1.239 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.897 1.807 10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.160 2.631 8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.173 1.342 9.208 1.00 0.00 H new ATOM 65 N PHE A 5 -9.348 -0.001 3.065 1.00 0.00 N ATOM 66 CA PHE A 5 -9.787 -0.229 1.691 1.00 0.00 C ATOM 67 C PHE A 5 -11.101 -0.995 1.688 1.00 0.00 C ATOM 68 O PHE A 5 -11.141 -2.212 1.522 1.00 0.00 O ATOM 69 CB PHE A 5 -8.712 -1.027 0.958 1.00 0.00 C ATOM 70 CG PHE A 5 -9.129 -1.307 -0.466 1.00 0.00 C ATOM 71 CD1 PHE A 5 -9.339 -0.293 -1.316 1.00 0.00 C ATOM 72 CD2 PHE A 5 -9.287 -2.572 -0.880 1.00 0.00 C ATOM 73 CE1 PHE A 5 -9.707 -0.543 -2.580 1.00 0.00 C ATOM 74 CE2 PHE A 5 -9.657 -2.822 -2.143 1.00 0.00 C ATOM 75 CZ PHE A 5 -9.867 -1.808 -2.993 1.00 0.00 C ATOM 0 H PHE A 5 -8.863 -0.781 3.510 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.942 0.726 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.773 -0.473 0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.531 -1.967 1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.212 0.726 -0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.116 -3.390 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.875 0.274 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.786 -3.841 -2.476 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.165 -2.010 -4.011 1.00 0.00 H new ATOM 85 N LYS A 6 -12.197 -0.278 1.855 1.00 0.00 N ATOM 86 CA LYS A 6 -13.491 -0.951 1.787 1.00 0.00 C ATOM 87 C LYS A 6 -13.850 -1.171 0.327 1.00 0.00 C ATOM 88 O LYS A 6 -13.049 -0.933 -0.575 1.00 0.00 O ATOM 89 CB LYS A 6 -14.553 -0.087 2.466 1.00 0.00 C ATOM 90 CG LYS A 6 -14.693 1.254 1.749 1.00 0.00 C ATOM 91 CD LYS A 6 -15.849 2.101 2.286 1.00 0.00 C ATOM 92 CE LYS A 6 -15.572 2.697 3.668 1.00 0.00 C ATOM 93 NZ LYS A 6 -15.739 1.696 4.732 1.00 0.00 N ATOM 0 H LYS A 6 -12.227 0.726 2.031 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.442 -1.912 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.510 -0.609 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.283 0.078 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.763 1.813 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.844 1.076 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.055 2.909 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.748 1.486 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.557 3.094 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.247 3.534 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.310 2.100 5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.220 0.858 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.806 1.422 5.100 1.00 0.00 H new ATOM 107 N TYR A 7 -15.065 -1.625 0.080 1.00 0.00 N ATOM 108 CA TYR A 7 -15.468 -1.831 -1.309 1.00 0.00 C ATOM 109 C TYR A 7 -16.940 -1.472 -1.457 1.00 0.00 C ATOM 110 O TYR A 7 -17.292 -0.330 -1.748 1.00 0.00 O ATOM 111 CB TYR A 7 -15.191 -3.281 -1.702 1.00 0.00 C ATOM 112 CG TYR A 7 -15.499 -3.512 -3.165 1.00 0.00 C ATOM 113 CD1 TYR A 7 -14.818 -2.845 -4.108 1.00 0.00 C ATOM 114 CD2 TYR A 7 -16.451 -4.386 -3.520 1.00 0.00 C ATOM 115 CE1 TYR A 7 -15.089 -3.054 -5.403 1.00 0.00 C ATOM 116 CE2 TYR A 7 -16.721 -4.594 -4.816 1.00 0.00 C ATOM 117 CZ TYR A 7 -16.040 -3.928 -5.758 1.00 0.00 C ATOM 118 OH TYR A 7 -16.317 -4.140 -7.083 1.00 0.00 O ATOM 0 H TYR A 7 -15.767 -1.851 0.785 1.00 0.00 H new ATOM 0 HA TYR A 7 -14.896 -1.189 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -14.147 -3.523 -1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -15.795 -3.950 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.051 -2.140 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.001 -4.923 -2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.540 -2.517 -6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -17.488 -5.299 -5.101 1.00 0.00 H new ATOM 0 HH TYR A 7 -17.032 -4.805 -7.165 1.00 0.00 H new ATOM 128 N LYS A 8 -17.820 -2.437 -1.254 1.00 0.00 N ATOM 129 CA LYS A 8 -19.245 -2.131 -1.365 1.00 0.00 C ATOM 130 C LYS A 8 -19.831 -2.026 0.033 1.00 0.00 C ATOM 131 O LYS A 8 -20.080 -0.938 0.552 1.00 0.00 O ATOM 132 CB LYS A 8 -19.950 -3.246 -2.137 1.00 0.00 C ATOM 133 CG LYS A 8 -19.454 -3.382 -3.579 1.00 0.00 C ATOM 134 CD LYS A 8 -20.346 -2.654 -4.587 1.00 0.00 C ATOM 135 CE LYS A 8 -20.302 -1.135 -4.437 1.00 0.00 C ATOM 136 NZ LYS A 8 -21.108 -0.509 -5.494 1.00 0.00 N ATOM 0 H LYS A 8 -17.592 -3.403 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.384 -1.189 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.800 -4.192 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -21.023 -3.053 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.440 -2.988 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.404 -4.438 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.037 -2.923 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.374 -2.996 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.682 -0.846 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -19.272 -0.784 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.076 0.525 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.727 -0.774 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.093 -0.834 -5.418 1.00 0.00 H new ATOM 150 N GLY A 9 -20.050 -3.169 0.657 1.00 0.00 N ATOM 151 CA GLY A 9 -20.592 -3.148 2.013 1.00 0.00 C ATOM 152 C GLY A 9 -19.711 -3.985 2.926 1.00 0.00 C ATOM 153 O GLY A 9 -20.172 -4.585 3.898 1.00 0.00 O ATOM 0 H GLY A 9 -19.871 -4.095 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.643 -2.123 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.610 -3.538 2.015 1.00 0.00 H new ATOM 157 N GLU A 10 -18.430 -4.036 2.611 1.00 0.00 N ATOM 158 CA GLU A 10 -17.526 -4.833 3.437 1.00 0.00 C ATOM 159 C GLU A 10 -16.402 -3.941 3.939 1.00 0.00 C ATOM 160 O GLU A 10 -16.390 -2.731 3.723 1.00 0.00 O ATOM 161 CB GLU A 10 -16.951 -5.978 2.605 1.00 0.00 C ATOM 162 CG GLU A 10 -18.058 -6.917 2.133 1.00 0.00 C ATOM 163 CD GLU A 10 -17.473 -8.072 1.337 1.00 0.00 C ATOM 164 OE1 GLU A 10 -16.915 -9.006 1.952 1.00 0.00 O ATOM 165 OE2 GLU A 10 -17.567 -8.052 0.091 1.00 0.00 O ATOM 0 H GLU A 10 -17.998 -3.557 1.821 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.067 -5.250 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.418 -5.575 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.225 -6.534 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -18.608 -7.301 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.771 -6.368 1.518 1.00 0.00 H new ATOM 172 N GLU A 11 -15.444 -4.541 4.622 1.00 0.00 N ATOM 173 CA GLU A 11 -14.350 -3.736 5.158 1.00 0.00 C ATOM 174 C GLU A 11 -13.077 -4.568 5.158 1.00 0.00 C ATOM 175 O GLU A 11 -13.060 -5.721 5.589 1.00 0.00 O ATOM 176 CB GLU A 11 -14.713 -3.303 6.578 1.00 0.00 C ATOM 177 CG GLU A 11 -13.626 -2.414 7.171 1.00 0.00 C ATOM 178 CD GLU A 11 -14.014 -1.951 8.566 1.00 0.00 C ATOM 179 OE1 GLU A 11 -14.753 -0.951 8.684 1.00 0.00 O ATOM 180 OE2 GLU A 11 -13.583 -2.587 9.553 1.00 0.00 O ATOM 0 H GLU A 11 -15.394 -5.541 4.816 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.187 -2.849 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.662 -2.766 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.852 -4.183 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.684 -2.961 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.464 -1.550 6.527 1.00 0.00 H new ATOM 187 N LEU A 12 -11.997 -3.985 4.670 1.00 0.00 N ATOM 188 CA LEU A 12 -10.731 -4.716 4.674 1.00 0.00 C ATOM 189 C LEU A 12 -9.664 -3.815 5.274 1.00 0.00 C ATOM 190 O LEU A 12 -9.901 -2.645 5.573 1.00 0.00 O ATOM 191 CB LEU A 12 -10.345 -5.102 3.244 1.00 0.00 C ATOM 192 CG LEU A 12 -11.345 -6.063 2.600 1.00 0.00 C ATOM 193 CD1 LEU A 12 -10.955 -6.282 1.141 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.350 -7.411 3.318 1.00 0.00 C ATOM 0 H LEU A 12 -11.962 -3.044 4.278 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.827 -5.628 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.271 -4.200 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.357 -5.563 3.251 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.341 -5.626 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.663 -6.966 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.970 -5.328 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.953 -6.708 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.070 -8.075 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.356 -7.855 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.628 -7.266 4.362 1.00 0.00 H new ATOM 206 N GLN A 13 -8.473 -4.354 5.462 1.00 0.00 N ATOM 207 CA GLN A 13 -7.417 -3.536 6.051 1.00 0.00 C ATOM 208 C GLN A 13 -6.067 -4.023 5.551 1.00 0.00 C ATOM 209 O GLN A 13 -5.463 -4.943 6.102 1.00 0.00 O ATOM 210 CB GLN A 13 -7.496 -3.639 7.572 1.00 0.00 C ATOM 211 CG GLN A 13 -6.447 -2.749 8.236 1.00 0.00 C ATOM 212 CD GLN A 13 -6.563 -2.827 9.750 1.00 0.00 C ATOM 213 OE1 GLN A 13 -6.026 -3.725 10.396 1.00 0.00 O ATOM 214 NE2 GLN A 13 -7.271 -1.877 10.332 1.00 0.00 N ATOM 0 H GLN A 13 -8.214 -5.313 5.229 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.542 -2.493 5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.491 -3.348 7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.346 -4.674 7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.449 -3.059 7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.577 -1.718 7.908 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.704 -1.146 9.768 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.385 -1.874 11.346 1.00 0.00 H new ATOM 223 N VAL A 14 -5.576 -3.402 4.495 1.00 0.00 N ATOM 224 CA VAL A 14 -4.272 -3.809 3.981 1.00 0.00 C ATOM 225 C VAL A 14 -3.190 -3.285 4.913 1.00 0.00 C ATOM 226 O VAL A 14 -3.465 -2.601 5.897 1.00 0.00 O ATOM 227 CB VAL A 14 -4.084 -3.255 2.569 1.00 0.00 C ATOM 228 CG1 VAL A 14 -5.153 -3.822 1.638 1.00 0.00 C ATOM 229 CG2 VAL A 14 -4.167 -1.730 2.570 1.00 0.00 C ATOM 0 H VAL A 14 -6.034 -2.643 3.990 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.207 -4.896 3.936 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.097 -3.553 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.011 -3.422 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.072 -4.909 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.141 -3.541 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.030 -1.358 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.143 -1.419 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.387 -1.324 3.214 1.00 0.00 H new ATOM 239 N ASP A 15 -1.946 -3.601 4.606 1.00 0.00 N ATOM 240 CA ASP A 15 -0.860 -3.100 5.446 1.00 0.00 C ATOM 241 C ASP A 15 0.238 -2.547 4.548 1.00 0.00 C ATOM 242 O ASP A 15 0.293 -2.821 3.351 1.00 0.00 O ATOM 243 CB ASP A 15 -0.342 -4.227 6.338 1.00 0.00 C ATOM 244 CG ASP A 15 0.227 -5.372 5.515 1.00 0.00 C ATOM 245 OD1 ASP A 15 -0.555 -6.083 4.847 1.00 0.00 O ATOM 246 OD2 ASP A 15 1.459 -5.573 5.541 1.00 0.00 O ATOM 0 H ASP A 15 -1.662 -4.179 3.815 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.214 -2.299 6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.428 -3.840 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.152 -4.597 6.966 1.00 0.00 H new ATOM 251 N ILE A 16 1.105 -1.727 5.115 1.00 0.00 N ATOM 252 CA ILE A 16 2.063 -1.015 4.270 1.00 0.00 C ATOM 253 C ILE A 16 3.238 -1.913 3.896 1.00 0.00 C ATOM 254 O ILE A 16 3.995 -1.622 2.972 1.00 0.00 O ATOM 255 CB ILE A 16 2.539 0.233 5.026 1.00 0.00 C ATOM 256 CG1 ILE A 16 3.368 1.164 4.141 1.00 0.00 C ATOM 257 CG2 ILE A 16 3.385 -0.153 6.240 1.00 0.00 C ATOM 258 CD1 ILE A 16 2.494 1.914 3.138 1.00 0.00 C ATOM 0 H ILE A 16 1.171 -1.538 6.115 1.00 0.00 H new ATOM 0 HA ILE A 16 1.582 -0.719 3.338 1.00 0.00 H new ATOM 0 HB ILE A 16 1.638 0.757 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.902 1.880 4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.120 0.584 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.710 0.749 6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.791 -0.767 6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.258 -0.717 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.119 2.566 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.980 1.198 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.759 2.514 3.674 1.00 0.00 H new ATOM 270 N SER A 17 3.426 -3.003 4.619 1.00 0.00 N ATOM 271 CA SER A 17 4.646 -3.780 4.407 1.00 0.00 C ATOM 272 C SER A 17 4.412 -4.928 3.437 1.00 0.00 C ATOM 273 O SER A 17 5.350 -5.477 2.861 1.00 0.00 O ATOM 274 CB SER A 17 5.114 -4.332 5.750 1.00 0.00 C ATOM 275 OG SER A 17 5.358 -3.260 6.650 1.00 0.00 O ATOM 0 H SER A 17 2.786 -3.363 5.327 1.00 0.00 H new ATOM 0 HA SER A 17 5.405 -3.128 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.358 -5.001 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.022 -4.921 5.616 1.00 0.00 H new ATOM 0 HG SER A 17 5.657 -3.618 7.512 1.00 0.00 H new ATOM 281 N LYS A 18 3.165 -5.324 3.260 1.00 0.00 N ATOM 282 CA LYS A 18 2.919 -6.510 2.443 1.00 0.00 C ATOM 283 C LYS A 18 2.652 -6.122 0.997 1.00 0.00 C ATOM 284 O LYS A 18 2.461 -6.974 0.131 1.00 0.00 O ATOM 285 CB LYS A 18 1.725 -7.270 3.011 1.00 0.00 C ATOM 286 CG LYS A 18 1.505 -8.564 2.231 1.00 0.00 C ATOM 287 CD LYS A 18 0.278 -9.327 2.734 1.00 0.00 C ATOM 288 CE LYS A 18 0.445 -9.808 4.176 1.00 0.00 C ATOM 289 NZ LYS A 18 1.616 -10.689 4.282 1.00 0.00 N ATOM 0 H LYS A 18 2.338 -4.871 3.648 1.00 0.00 H new ATOM 0 HA LYS A 18 3.804 -7.147 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.896 -7.496 4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.831 -6.649 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.382 -8.334 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.388 -9.197 2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.600 -8.684 2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.095 -10.184 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.562 -8.953 4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.451 -10.341 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.563 -11.232 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.632 -11.344 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.483 -10.115 4.280 1.00 0.00 H new ATOM 303 N ILE A 19 2.636 -4.834 0.709 1.00 0.00 N ATOM 304 CA ILE A 19 2.397 -4.437 -0.676 1.00 0.00 C ATOM 305 C ILE A 19 3.633 -4.781 -1.491 1.00 0.00 C ATOM 306 O ILE A 19 4.732 -4.288 -1.241 1.00 0.00 O ATOM 307 CB ILE A 19 2.093 -2.941 -0.747 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.886 -2.633 0.144 1.00 0.00 C ATOM 309 CG2 ILE A 19 1.810 -2.558 -2.200 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.482 -1.161 0.099 1.00 0.00 C ATOM 0 H ILE A 19 2.777 -4.074 1.374 1.00 0.00 H new ATOM 0 HA ILE A 19 1.536 -4.969 -1.081 1.00 0.00 H new ATOM 0 HB ILE A 19 2.945 -2.361 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.042 -3.247 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.118 -2.911 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.592 -1.492 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.683 -2.785 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.953 -3.124 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.378 -1.000 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.314 -0.545 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.221 -0.886 -0.923 1.00 0.00 H new ATOM 322 N LYS A 20 3.463 -5.653 -2.469 1.00 0.00 N ATOM 323 CA LYS A 20 4.628 -6.092 -3.233 1.00 0.00 C ATOM 324 C LYS A 20 4.801 -5.219 -4.466 1.00 0.00 C ATOM 325 O LYS A 20 5.296 -4.095 -4.402 1.00 0.00 O ATOM 326 CB LYS A 20 4.434 -7.547 -3.659 1.00 0.00 C ATOM 327 CG LYS A 20 4.247 -8.484 -2.464 1.00 0.00 C ATOM 328 CD LYS A 20 5.500 -8.546 -1.593 1.00 0.00 C ATOM 329 CE LYS A 20 5.310 -9.559 -0.468 1.00 0.00 C ATOM 330 NZ LYS A 20 6.522 -9.613 0.362 1.00 0.00 N ATOM 0 H LYS A 20 2.571 -6.060 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 20 5.519 -6.007 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.565 -7.619 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.298 -7.871 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.403 -8.144 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.002 -9.484 -2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.361 -8.824 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.710 -7.562 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.451 -9.281 0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.099 -10.544 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.388 -10.304 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.332 -9.898 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.704 -8.675 0.771 1.00 0.00 H new ATOM 344 N LYS A 21 4.413 -5.747 -5.612 1.00 0.00 N ATOM 345 CA LYS A 21 4.656 -5.005 -6.846 1.00 0.00 C ATOM 346 C LYS A 21 3.682 -3.842 -6.962 1.00 0.00 C ATOM 347 O LYS A 21 2.514 -3.929 -6.583 1.00 0.00 O ATOM 348 CB LYS A 21 4.490 -5.942 -8.039 1.00 0.00 C ATOM 349 CG LYS A 21 5.515 -7.075 -7.981 1.00 0.00 C ATOM 350 CD LYS A 21 5.508 -7.950 -9.237 1.00 0.00 C ATOM 351 CE LYS A 21 4.281 -8.858 -9.335 1.00 0.00 C ATOM 352 NZ LYS A 21 3.093 -8.116 -9.781 1.00 0.00 N ATOM 0 H LYS A 21 3.947 -6.648 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 21 5.671 -4.608 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.482 -6.356 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.610 -5.383 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.510 -6.651 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.312 -7.698 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.549 -7.309 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.408 -8.565 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.485 -9.672 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.084 -9.311 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.443 -7.988 -8.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.381 -7.186 -10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.613 -8.649 -10.534 1.00 0.00 H new ATOM 366 N VAL A 22 4.163 -2.742 -7.511 1.00 0.00 N ATOM 367 CA VAL A 22 3.274 -1.602 -7.718 1.00 0.00 C ATOM 368 C VAL A 22 3.783 -0.828 -8.926 1.00 0.00 C ATOM 369 O VAL A 22 4.983 -0.626 -9.103 1.00 0.00 O ATOM 370 CB VAL A 22 3.248 -0.739 -6.454 1.00 0.00 C ATOM 371 CG1 VAL A 22 4.643 -0.214 -6.118 1.00 0.00 C ATOM 372 CG2 VAL A 22 2.296 0.442 -6.631 1.00 0.00 C ATOM 0 H VAL A 22 5.128 -2.609 -7.814 1.00 0.00 H new ATOM 0 HA VAL A 22 2.251 -1.924 -7.910 1.00 0.00 H new ATOM 0 HB VAL A 22 2.900 -1.367 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.595 0.396 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.318 -1.054 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.013 0.391 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.291 1.044 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.627 1.054 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.290 0.072 -6.827 1.00 0.00 H new ATOM 382 N TRP A 23 2.874 -0.410 -9.789 1.00 0.00 N ATOM 383 CA TRP A 23 3.316 0.262 -11.007 1.00 0.00 C ATOM 384 C TRP A 23 2.340 1.372 -11.364 1.00 0.00 C ATOM 385 O TRP A 23 1.249 1.478 -10.808 1.00 0.00 O ATOM 386 CB TRP A 23 3.412 -0.759 -12.140 1.00 0.00 C ATOM 387 CG TRP A 23 2.071 -1.396 -12.425 1.00 0.00 C ATOM 388 CD1 TRP A 23 1.117 -0.960 -13.347 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.553 -2.531 -11.857 1.00 0.00 C ATOM 390 NE1 TRP A 23 0.011 -1.818 -13.346 1.00 0.00 N ATOM 391 CE2 TRP A 23 0.339 -2.777 -12.400 1.00 0.00 C ATOM 392 CE3 TRP A 23 2.081 -3.323 -10.929 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.380 -3.829 -12.019 1.00 0.00 C ATOM 394 CZ3 TRP A 23 1.356 -4.386 -10.537 1.00 0.00 C ATOM 395 CH2 TRP A 23 0.141 -4.636 -11.076 1.00 0.00 C ATOM 0 H TRP A 23 1.865 -0.515 -9.682 1.00 0.00 H new ATOM 0 HA TRP A 23 4.299 0.706 -10.849 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.783 -0.271 -13.041 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.134 -1.531 -11.875 1.00 0.00 H new ATOM 0 HD1 TRP A 23 1.218 -0.085 -13.972 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -0.837 -1.753 -13.909 1.00 0.00 H new ATOM 0 HE3 TRP A 23 3.054 -3.121 -10.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.349 -4.029 -12.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.750 -5.049 -9.781 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.420 -5.497 -10.744 1.00 0.00 H new ATOM 406 N ARG A 24 2.741 2.219 -12.296 1.00 0.00 N ATOM 407 CA ARG A 24 1.882 3.347 -12.649 1.00 0.00 C ATOM 408 C ARG A 24 1.913 3.513 -14.161 1.00 0.00 C ATOM 409 O ARG A 24 2.961 3.730 -14.768 1.00 0.00 O ATOM 410 CB ARG A 24 2.403 4.582 -11.911 1.00 0.00 C ATOM 411 CG ARG A 24 1.471 5.794 -11.991 1.00 0.00 C ATOM 412 CD ARG A 24 1.592 6.568 -13.305 1.00 0.00 C ATOM 413 NE ARG A 24 0.808 7.797 -13.220 1.00 0.00 N ATOM 414 CZ ARG A 24 0.818 8.633 -14.243 1.00 0.00 C ATOM 415 NH1 ARG A 24 1.517 8.349 -15.326 1.00 0.00 N ATOM 416 NH2 ARG A 24 0.126 9.756 -14.183 1.00 0.00 N ATOM 0 H ARG A 24 3.621 2.158 -12.808 1.00 0.00 H new ATOM 0 HA ARG A 24 0.845 3.189 -12.354 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.561 4.327 -10.863 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.374 4.856 -12.323 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.441 5.459 -11.869 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.689 6.466 -11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.637 6.804 -13.506 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.239 5.955 -14.134 1.00 0.00 H new ATOM 0 HE ARG A 24 0.262 8.007 -12.385 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.052 7.482 -15.375 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.522 8.997 -16.114 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.416 9.977 -13.347 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.133 10.402 -14.972 1.00 0.00 H new ATOM 430 N VAL A 25 0.754 3.415 -14.785 1.00 0.00 N ATOM 431 CA VAL A 25 0.717 3.594 -16.233 1.00 0.00 C ATOM 432 C VAL A 25 -0.707 3.955 -16.634 1.00 0.00 C ATOM 433 O VAL A 25 -1.222 3.571 -17.683 1.00 0.00 O ATOM 434 CB VAL A 25 1.224 2.316 -16.907 1.00 0.00 C ATOM 435 CG1 VAL A 25 0.266 1.151 -16.663 1.00 0.00 C ATOM 436 CG2 VAL A 25 1.414 2.529 -18.407 1.00 0.00 C ATOM 0 H VAL A 25 -0.143 3.221 -14.339 1.00 0.00 H new ATOM 0 HA VAL A 25 1.369 4.405 -16.558 1.00 0.00 H new ATOM 0 HB VAL A 25 2.189 2.071 -16.464 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.650 0.256 -17.152 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.179 0.970 -15.592 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.715 1.395 -17.071 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.775 1.607 -18.863 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.462 2.809 -18.858 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.141 3.324 -18.572 1.00 0.00 H new ATOM 446 N GLY A 26 -1.366 4.715 -15.781 1.00 0.00 N ATOM 447 CA GLY A 26 -2.738 5.099 -16.098 1.00 0.00 C ATOM 448 C GLY A 26 -3.240 6.122 -15.093 1.00 0.00 C ATOM 449 O GLY A 26 -2.501 6.986 -14.624 1.00 0.00 O ATOM 0 H GLY A 26 -0.999 5.069 -14.898 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.784 5.514 -17.105 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.382 4.220 -16.086 1.00 0.00 H new ATOM 453 N LYS A 27 -4.513 6.033 -14.755 1.00 0.00 N ATOM 454 CA LYS A 27 -5.062 7.001 -13.809 1.00 0.00 C ATOM 455 C LYS A 27 -4.771 6.539 -12.390 1.00 0.00 C ATOM 456 O LYS A 27 -3.923 7.092 -11.690 1.00 0.00 O ATOM 457 CB LYS A 27 -6.568 7.113 -14.035 1.00 0.00 C ATOM 458 CG LYS A 27 -7.203 8.099 -13.056 1.00 0.00 C ATOM 459 CD LYS A 27 -6.593 9.490 -13.218 1.00 0.00 C ATOM 460 CE LYS A 27 -7.241 10.479 -12.252 1.00 0.00 C ATOM 461 NZ LYS A 27 -6.994 10.067 -10.863 1.00 0.00 N ATOM 0 H LYS A 27 -5.168 5.332 -15.102 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.604 7.978 -13.960 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.762 7.437 -15.058 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.030 6.133 -13.918 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.279 8.146 -13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.057 7.749 -12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.519 9.445 -13.035 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.727 9.834 -14.243 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.840 11.478 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.314 10.531 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.176 10.868 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.626 9.278 -10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.005 9.762 -10.762 1.00 0.00 H new ATOM 475 N MET A 28 -5.488 5.524 -11.945 1.00 0.00 N ATOM 476 CA MET A 28 -5.293 5.077 -10.569 1.00 0.00 C ATOM 477 C MET A 28 -4.093 4.146 -10.507 1.00 0.00 C ATOM 478 O MET A 28 -3.712 3.516 -11.493 1.00 0.00 O ATOM 479 CB MET A 28 -6.547 4.350 -10.085 1.00 0.00 C ATOM 480 CG MET A 28 -7.782 5.240 -10.203 1.00 0.00 C ATOM 481 SD MET A 28 -9.210 4.361 -9.546 1.00 0.00 S ATOM 482 CE MET A 28 -10.475 5.604 -9.858 1.00 0.00 C ATOM 0 H MET A 28 -6.183 5.009 -12.485 1.00 0.00 H new ATOM 0 HA MET A 28 -5.112 5.938 -9.925 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.693 3.442 -10.670 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.415 4.043 -9.048 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.629 6.170 -9.655 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.953 5.509 -11.245 1.00 0.00 H new ATOM 0 HE1 MET A 28 -11.316 5.444 -9.184 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.059 6.597 -9.690 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.817 5.524 -10.890 1.00 0.00 H new ATOM 492 N ILE A 29 -3.483 4.057 -9.339 1.00 0.00 N ATOM 493 CA ILE A 29 -2.310 3.194 -9.218 1.00 0.00 C ATOM 494 C ILE A 29 -2.760 1.799 -8.819 1.00 0.00 C ATOM 495 O ILE A 29 -3.485 1.605 -7.845 1.00 0.00 O ATOM 496 CB ILE A 29 -1.367 3.771 -8.159 1.00 0.00 C ATOM 497 CG1 ILE A 29 -0.967 5.212 -8.494 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.124 2.893 -8.027 1.00 0.00 C ATOM 499 CD1 ILE A 29 -0.247 5.342 -9.837 1.00 0.00 C ATOM 0 H ILE A 29 -3.761 4.548 -8.489 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.782 3.140 -10.170 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.897 3.784 -7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.860 5.836 -8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.321 5.596 -7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.540 3.313 -7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.419 1.886 -7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.396 2.852 -8.984 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.008 6.387 -10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.664 4.744 -9.821 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.899 4.988 -10.635 1.00 0.00 H new ATOM 511 N SER A 30 -2.329 0.808 -9.580 1.00 0.00 N ATOM 512 CA SER A 30 -2.730 -0.559 -9.259 1.00 0.00 C ATOM 513 C SER A 30 -1.661 -1.208 -8.395 1.00 0.00 C ATOM 514 O SER A 30 -0.519 -0.754 -8.325 1.00 0.00 O ATOM 515 CB SER A 30 -2.908 -1.341 -10.558 1.00 0.00 C ATOM 516 OG SER A 30 -3.316 -2.669 -10.269 1.00 0.00 O ATOM 0 H SER A 30 -1.724 0.911 -10.395 1.00 0.00 H new ATOM 0 HA SER A 30 -3.672 -0.556 -8.710 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.651 -0.852 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.973 -1.352 -11.117 1.00 0.00 H new ATOM 0 HG SER A 30 -2.668 -3.300 -10.646 1.00 0.00 H new ATOM 522 N PHE A 31 -2.025 -2.283 -7.722 1.00 0.00 N ATOM 523 CA PHE A 31 -1.037 -2.957 -6.883 1.00 0.00 C ATOM 524 C PHE A 31 -1.533 -4.359 -6.563 1.00 0.00 C ATOM 525 O PHE A 31 -2.713 -4.673 -6.712 1.00 0.00 O ATOM 526 CB PHE A 31 -0.799 -2.155 -5.602 1.00 0.00 C ATOM 527 CG PHE A 31 -2.052 -2.035 -4.759 1.00 0.00 C ATOM 528 CD1 PHE A 31 -2.922 -1.039 -4.982 1.00 0.00 C ATOM 529 CD2 PHE A 31 -2.276 -2.904 -3.764 1.00 0.00 C ATOM 530 CE1 PHE A 31 -4.020 -0.923 -4.224 1.00 0.00 C ATOM 531 CE2 PHE A 31 -3.373 -2.788 -3.003 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.248 -1.798 -3.234 1.00 0.00 C ATOM 0 H PHE A 31 -2.956 -2.700 -7.732 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.088 -3.029 -7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.014 -2.634 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.441 -1.159 -5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.737 -0.329 -5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.571 -3.700 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.722 -0.124 -4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.553 -3.492 -2.204 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.134 -1.706 -2.624 1.00 0.00 H new ATOM 542 N THR A 32 -0.628 -5.214 -6.122 1.00 0.00 N ATOM 543 CA THR A 32 -1.038 -6.583 -5.817 1.00 0.00 C ATOM 544 C THR A 32 -0.681 -6.904 -4.375 1.00 0.00 C ATOM 545 O THR A 32 0.408 -7.383 -4.065 1.00 0.00 O ATOM 546 CB THR A 32 -0.327 -7.552 -6.758 1.00 0.00 C ATOM 547 OG1 THR A 32 1.076 -7.387 -6.628 1.00 0.00 O ATOM 548 CG2 THR A 32 -0.736 -7.289 -8.205 1.00 0.00 C ATOM 0 H THR A 32 0.358 -5.003 -5.970 1.00 0.00 H new ATOM 0 HA THR A 32 -2.115 -6.683 -5.953 1.00 0.00 H new ATOM 0 HB THR A 32 -0.609 -8.571 -6.493 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.323 -7.424 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.220 -7.989 -8.862 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.813 -7.421 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.468 -6.269 -8.479 1.00 0.00 H new ATOM 556 N TYR A 33 -1.613 -6.651 -3.475 1.00 0.00 N ATOM 557 CA TYR A 33 -1.354 -6.995 -2.079 1.00 0.00 C ATOM 558 C TYR A 33 -1.520 -8.497 -1.916 1.00 0.00 C ATOM 559 O TYR A 33 -2.362 -9.125 -2.556 1.00 0.00 O ATOM 560 CB TYR A 33 -2.324 -6.243 -1.167 1.00 0.00 C ATOM 561 CG TYR A 33 -3.755 -6.687 -1.382 1.00 0.00 C ATOM 562 CD1 TYR A 33 -4.471 -6.199 -2.406 1.00 0.00 C ATOM 563 CD2 TYR A 33 -4.317 -7.558 -0.533 1.00 0.00 C ATOM 564 CE1 TYR A 33 -5.739 -6.592 -2.587 1.00 0.00 C ATOM 565 CE2 TYR A 33 -5.586 -7.948 -0.712 1.00 0.00 C ATOM 566 CZ TYR A 33 -6.297 -7.467 -1.740 1.00 0.00 C ATOM 567 OH TYR A 33 -7.594 -7.869 -1.925 1.00 0.00 O ATOM 0 H TYR A 33 -2.521 -6.227 -3.667 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.340 -6.708 -1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.045 -6.406 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.243 -5.172 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.025 -5.488 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.746 -7.946 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.311 -6.203 -3.416 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.036 -8.651 -0.027 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.842 -8.506 -1.223 1.00 0.00 H new ATOM 577 N ASP A 34 -0.713 -9.096 -1.061 1.00 0.00 N ATOM 578 CA ASP A 34 -0.811 -10.544 -0.902 1.00 0.00 C ATOM 579 C ASP A 34 -1.947 -10.877 0.052 1.00 0.00 C ATOM 580 O ASP A 34 -2.133 -10.239 1.087 1.00 0.00 O ATOM 581 CB ASP A 34 0.513 -11.077 -0.361 1.00 0.00 C ATOM 582 CG ASP A 34 0.461 -12.587 -0.195 1.00 0.00 C ATOM 583 OD1 ASP A 34 0.454 -13.306 -1.217 1.00 0.00 O ATOM 584 OD2 ASP A 34 0.425 -13.064 0.961 1.00 0.00 O ATOM 0 H ASP A 34 -0.010 -8.632 -0.486 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.018 -11.011 -1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.322 -10.809 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.734 -10.609 0.598 1.00 0.00 H new ATOM 589 N GLU A 35 -2.722 -11.889 -0.292 1.00 0.00 N ATOM 590 CA GLU A 35 -3.837 -12.248 0.576 1.00 0.00 C ATOM 591 C GLU A 35 -4.328 -13.639 0.207 1.00 0.00 C ATOM 592 O GLU A 35 -5.221 -13.808 -0.620 1.00 0.00 O ATOM 593 CB GLU A 35 -4.952 -11.221 0.389 1.00 0.00 C ATOM 594 CG GLU A 35 -6.168 -11.556 1.249 1.00 0.00 C ATOM 595 CD GLU A 35 -5.806 -11.554 2.727 1.00 0.00 C ATOM 596 OE1 GLU A 35 -5.313 -12.520 3.305 1.00 0.00 O ATOM 597 OE2 GLU A 35 -6.098 -10.355 3.322 1.00 0.00 O ATOM 0 H GLU A 35 -2.612 -12.459 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.524 -12.252 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.583 -10.229 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.245 -11.187 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.960 -10.831 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.559 -12.534 0.968 1.00 0.00 H new ATOM 605 N GLY A 36 -3.747 -14.650 0.828 1.00 0.00 N ATOM 606 CA GLY A 36 -4.196 -16.010 0.538 1.00 0.00 C ATOM 607 C GLY A 36 -3.005 -16.899 0.221 1.00 0.00 C ATOM 608 O GLY A 36 -2.961 -18.075 0.578 1.00 0.00 O ATOM 0 H GLY A 36 -2.993 -14.569 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.741 -16.411 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.887 -16.001 -0.305 1.00 0.00 H new ATOM 612 N GLY A 37 -2.022 -16.344 -0.464 1.00 0.00 N ATOM 613 CA GLY A 37 -0.869 -17.164 -0.821 1.00 0.00 C ATOM 614 C GLY A 37 -1.252 -18.134 -1.926 1.00 0.00 C ATOM 615 O GLY A 37 -0.988 -19.334 -1.858 1.00 0.00 O ATOM 0 H GLY A 37 -1.991 -15.373 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.047 -16.529 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.517 -17.713 0.052 1.00 0.00 H new ATOM 619 N GLY A 38 -1.891 -17.618 -2.959 1.00 0.00 N ATOM 620 CA GLY A 38 -2.300 -18.503 -4.046 1.00 0.00 C ATOM 621 C GLY A 38 -3.377 -17.829 -4.880 1.00 0.00 C ATOM 622 O GLY A 38 -3.681 -18.240 -5.999 1.00 0.00 O ATOM 0 H GLY A 38 -2.133 -16.634 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.441 -18.746 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.676 -19.443 -3.641 1.00 0.00 H new ATOM 626 N LYS A 39 -3.963 -16.776 -4.335 1.00 0.00 N ATOM 627 CA LYS A 39 -4.992 -16.064 -5.089 1.00 0.00 C ATOM 628 C LYS A 39 -4.499 -14.658 -5.386 1.00 0.00 C ATOM 629 O LYS A 39 -4.707 -14.123 -6.474 1.00 0.00 O ATOM 630 CB LYS A 39 -6.275 -16.010 -4.264 1.00 0.00 C ATOM 631 CG LYS A 39 -6.800 -17.418 -3.995 1.00 0.00 C ATOM 632 CD LYS A 39 -8.072 -17.356 -3.152 1.00 0.00 C ATOM 633 CE LYS A 39 -8.589 -18.759 -2.844 1.00 0.00 C ATOM 634 NZ LYS A 39 -8.943 -19.453 -4.090 1.00 0.00 N ATOM 0 H LYS A 39 -3.758 -16.402 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.197 -16.580 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.085 -15.500 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.030 -15.429 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.005 -17.924 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.041 -18.004 -3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.871 -16.825 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.838 -16.790 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.828 -19.325 -2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.461 -18.699 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.549 -20.270 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.454 -18.800 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.077 -19.781 -4.563 1.00 0.00 H new ATOM 648 N THR A 40 -3.836 -14.061 -4.409 1.00 0.00 N ATOM 649 CA THR A 40 -3.297 -12.715 -4.608 1.00 0.00 C ATOM 650 C THR A 40 -4.412 -11.748 -4.977 1.00 0.00 C ATOM 651 O THR A 40 -4.835 -11.647 -6.128 1.00 0.00 O ATOM 652 CB THR A 40 -2.215 -12.745 -5.686 1.00 0.00 C ATOM 653 OG1 THR A 40 -1.211 -13.675 -5.308 1.00 0.00 O ATOM 654 CG2 THR A 40 -1.581 -11.365 -5.844 1.00 0.00 C ATOM 0 H THR A 40 -3.658 -14.469 -3.491 1.00 0.00 H new ATOM 0 HA THR A 40 -2.847 -12.367 -3.678 1.00 0.00 H new ATOM 0 HB THR A 40 -2.667 -13.038 -6.634 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.514 -13.701 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.812 -11.404 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.346 -10.644 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.131 -11.061 -4.899 1.00 0.00 H new ATOM 662 N GLY A 41 -4.895 -11.013 -3.993 1.00 0.00 N ATOM 663 CA GLY A 41 -5.963 -10.062 -4.288 1.00 0.00 C ATOM 664 C GLY A 41 -5.412 -8.890 -5.083 1.00 0.00 C ATOM 665 O GLY A 41 -4.236 -8.540 -4.990 1.00 0.00 O ATOM 0 H GLY A 41 -4.586 -11.047 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.754 -10.555 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.409 -9.705 -3.360 1.00 0.00 H new ATOM 669 N ARG A 42 -6.266 -8.269 -5.877 1.00 0.00 N ATOM 670 CA ARG A 42 -5.803 -7.132 -6.668 1.00 0.00 C ATOM 671 C ARG A 42 -6.808 -5.997 -6.549 1.00 0.00 C ATOM 672 O ARG A 42 -7.988 -6.144 -6.861 1.00 0.00 O ATOM 673 CB ARG A 42 -5.666 -7.557 -8.127 1.00 0.00 C ATOM 674 CG ARG A 42 -5.234 -6.376 -8.993 1.00 0.00 C ATOM 675 CD ARG A 42 -5.098 -6.810 -10.451 1.00 0.00 C ATOM 676 NE ARG A 42 -4.687 -5.681 -11.285 1.00 0.00 N ATOM 677 CZ ARG A 42 -4.536 -5.870 -12.583 1.00 0.00 C ATOM 678 NH1 ARG A 42 -4.754 -7.060 -13.111 1.00 0.00 N ATOM 679 NH2 ARG A 42 -4.164 -4.865 -13.355 1.00 0.00 N ATOM 0 H ARG A 42 -7.249 -8.516 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.834 -6.793 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.936 -8.362 -8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.616 -7.951 -8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.964 -5.571 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.284 -5.981 -8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.366 -7.614 -10.531 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.048 -7.207 -10.809 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.520 -4.764 -10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.040 -7.837 -12.516 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.636 -7.202 -14.114 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.994 -3.945 -12.948 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.047 -5.009 -14.358 1.00 0.00 H new ATOM 693 N GLY A 43 -6.337 -4.849 -6.096 1.00 0.00 N ATOM 694 CA GLY A 43 -7.242 -3.708 -5.978 1.00 0.00 C ATOM 695 C GLY A 43 -6.567 -2.465 -6.534 1.00 0.00 C ATOM 696 O GLY A 43 -5.592 -2.540 -7.280 1.00 0.00 O ATOM 0 H GLY A 43 -5.372 -4.679 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.166 -3.906 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.512 -3.551 -4.934 1.00 0.00 H new ATOM 700 N ALA A 44 -7.076 -1.302 -6.175 1.00 0.00 N ATOM 701 CA ALA A 44 -6.454 -0.082 -6.680 1.00 0.00 C ATOM 702 C ALA A 44 -6.900 1.102 -5.838 1.00 0.00 C ATOM 703 O ALA A 44 -7.838 1.023 -5.048 1.00 0.00 O ATOM 704 CB ALA A 44 -6.863 0.130 -8.136 1.00 0.00 C ATOM 0 H ALA A 44 -7.882 -1.171 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.369 -0.172 -6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.400 1.041 -8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.535 -0.720 -8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.947 0.221 -8.200 1.00 0.00 H new ATOM 710 N VAL A 45 -6.222 2.222 -6.009 1.00 0.00 N ATOM 711 CA VAL A 45 -6.613 3.404 -5.247 1.00 0.00 C ATOM 712 C VAL A 45 -6.049 4.632 -5.947 1.00 0.00 C ATOM 713 O VAL A 45 -4.901 4.657 -6.387 1.00 0.00 O ATOM 714 CB VAL A 45 -6.099 3.280 -3.811 1.00 0.00 C ATOM 715 CG1 VAL A 45 -4.574 3.192 -3.778 1.00 0.00 C ATOM 716 CG2 VAL A 45 -6.557 4.476 -2.980 1.00 0.00 C ATOM 0 H VAL A 45 -5.430 2.343 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.698 3.497 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.510 2.364 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.237 3.105 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.248 2.318 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.148 4.091 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.184 4.375 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.168 5.395 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.646 4.514 -2.966 1.00 0.00 H new ATOM 726 N SER A 46 -6.863 5.664 -6.074 1.00 0.00 N ATOM 727 CA SER A 46 -6.370 6.868 -6.737 1.00 0.00 C ATOM 728 C SER A 46 -5.283 7.493 -5.879 1.00 0.00 C ATOM 729 O SER A 46 -5.323 7.441 -4.650 1.00 0.00 O ATOM 730 CB SER A 46 -7.526 7.844 -6.930 1.00 0.00 C ATOM 731 OG SER A 46 -8.551 7.230 -7.698 1.00 0.00 O ATOM 0 H SER A 46 -7.828 5.701 -5.745 1.00 0.00 H new ATOM 0 HA SER A 46 -5.954 6.620 -7.713 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.920 8.152 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.173 8.745 -7.432 1.00 0.00 H new ATOM 0 HG SER A 46 -9.292 7.860 -7.818 1.00 0.00 H new ATOM 737 N GLU A 47 -4.293 8.086 -6.521 1.00 0.00 N ATOM 738 CA GLU A 47 -3.191 8.657 -5.749 1.00 0.00 C ATOM 739 C GLU A 47 -3.381 10.166 -5.642 1.00 0.00 C ATOM 740 O GLU A 47 -2.433 10.949 -5.659 1.00 0.00 O ATOM 741 CB GLU A 47 -1.876 8.302 -6.441 1.00 0.00 C ATOM 742 CG GLU A 47 -0.676 8.594 -5.542 1.00 0.00 C ATOM 743 CD GLU A 47 0.616 8.180 -6.228 1.00 0.00 C ATOM 744 OE1 GLU A 47 0.997 8.821 -7.231 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.260 7.213 -5.767 1.00 0.00 O ATOM 0 H GLU A 47 -4.222 8.186 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.171 8.250 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.880 7.247 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.786 8.870 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.643 9.657 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.782 8.058 -4.599 1.00 0.00 H new ATOM 752 N LYS A 48 -4.624 10.593 -5.520 1.00 0.00 N ATOM 753 CA LYS A 48 -4.865 12.026 -5.368 1.00 0.00 C ATOM 754 C LYS A 48 -4.671 12.406 -3.908 1.00 0.00 C ATOM 755 O LYS A 48 -4.391 13.557 -3.572 1.00 0.00 O ATOM 756 CB LYS A 48 -6.288 12.344 -5.821 1.00 0.00 C ATOM 757 CG LYS A 48 -6.569 13.841 -5.722 1.00 0.00 C ATOM 758 CD LYS A 48 -5.576 14.628 -6.573 1.00 0.00 C ATOM 759 CE LYS A 48 -5.866 16.124 -6.481 1.00 0.00 C ATOM 760 NZ LYS A 48 -4.903 16.870 -7.302 1.00 0.00 N ATOM 0 H LYS A 48 -5.455 10.001 -5.522 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.166 12.597 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.430 12.010 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.001 11.795 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.586 14.049 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.501 14.162 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.559 14.427 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.638 14.302 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.882 16.328 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.804 16.452 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.105 17.888 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.939 16.686 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.982 16.565 -8.293 1.00 0.00 H new ATOM 774 N ASP A 49 -4.813 11.436 -3.023 1.00 0.00 N ATOM 775 CA ASP A 49 -4.613 11.735 -1.607 1.00 0.00 C ATOM 776 C ASP A 49 -4.120 10.475 -0.914 1.00 0.00 C ATOM 777 O ASP A 49 -4.761 9.932 -0.015 1.00 0.00 O ATOM 778 CB ASP A 49 -5.935 12.201 -1.003 1.00 0.00 C ATOM 779 CG ASP A 49 -5.752 12.603 0.452 1.00 0.00 C ATOM 780 OD1 ASP A 49 -5.082 13.626 0.715 1.00 0.00 O ATOM 781 OD2 ASP A 49 -6.276 11.898 1.342 1.00 0.00 O ATOM 0 H ASP A 49 -5.056 10.470 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.875 12.527 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.322 13.046 -1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.674 11.403 -1.074 1.00 0.00 H new ATOM 786 N ALA A 50 -2.969 9.988 -1.340 1.00 0.00 N ATOM 787 CA ALA A 50 -2.456 8.761 -0.737 1.00 0.00 C ATOM 788 C ALA A 50 -1.714 9.124 0.546 1.00 0.00 C ATOM 789 O ALA A 50 -1.219 10.243 0.677 1.00 0.00 O ATOM 790 CB ALA A 50 -1.506 8.098 -1.732 1.00 0.00 C ATOM 0 H ALA A 50 -2.388 10.399 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.266 8.072 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.111 7.178 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.045 7.866 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.683 8.776 -1.956 1.00 0.00 H new ATOM 796 N PRO A 51 -1.606 8.216 1.509 1.00 0.00 N ATOM 797 CA PRO A 51 -0.850 8.484 2.729 1.00 0.00 C ATOM 798 C PRO A 51 0.526 9.052 2.414 1.00 0.00 C ATOM 799 O PRO A 51 1.136 8.737 1.394 1.00 0.00 O ATOM 800 CB PRO A 51 -0.767 7.090 3.351 1.00 0.00 C ATOM 801 CG PRO A 51 -2.006 6.360 2.837 1.00 0.00 C ATOM 802 CD PRO A 51 -2.191 6.881 1.413 1.00 0.00 C ATOM 0 HA PRO A 51 -1.304 9.228 3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.147 6.577 3.052 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.762 7.142 4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.864 5.279 2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.878 6.574 3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.676 6.260 0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.241 6.914 1.122 1.00 0.00 H new ATOM 810 N LYS A 52 1.021 9.919 3.279 1.00 0.00 N ATOM 811 CA LYS A 52 2.278 10.593 2.957 1.00 0.00 C ATOM 812 C LYS A 52 3.454 9.644 3.132 1.00 0.00 C ATOM 813 O LYS A 52 4.515 9.819 2.535 1.00 0.00 O ATOM 814 CB LYS A 52 2.436 11.805 3.873 1.00 0.00 C ATOM 815 CG LYS A 52 3.741 12.543 3.581 1.00 0.00 C ATOM 816 CD LYS A 52 3.867 13.772 4.478 1.00 0.00 C ATOM 817 CE LYS A 52 5.168 14.513 4.189 1.00 0.00 C ATOM 818 NZ LYS A 52 5.272 15.693 5.059 1.00 0.00 N ATOM 0 H LYS A 52 0.599 10.170 4.173 1.00 0.00 H new ATOM 0 HA LYS A 52 2.259 10.917 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.593 12.482 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.421 11.483 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.588 11.877 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.770 12.844 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.019 14.437 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.838 13.470 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.018 13.852 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.199 14.817 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.160 16.195 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.468 16.328 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.261 15.392 6.055 1.00 0.00 H new ATOM 832 N GLU A 53 3.284 8.625 3.955 1.00 0.00 N ATOM 833 CA GLU A 53 4.397 7.706 4.182 1.00 0.00 C ATOM 834 C GLU A 53 4.686 6.907 2.919 1.00 0.00 C ATOM 835 O GLU A 53 5.819 6.513 2.650 1.00 0.00 O ATOM 836 CB GLU A 53 4.043 6.751 5.319 1.00 0.00 C ATOM 837 CG GLU A 53 3.774 7.515 6.612 1.00 0.00 C ATOM 838 CD GLU A 53 3.472 6.550 7.747 1.00 0.00 C ATOM 839 OE1 GLU A 53 4.378 5.785 8.143 1.00 0.00 O ATOM 840 OE2 GLU A 53 2.327 6.550 8.249 1.00 0.00 O ATOM 0 H GLU A 53 2.425 8.413 4.462 1.00 0.00 H new ATOM 0 HA GLU A 53 5.284 8.281 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.163 6.167 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.859 6.045 5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.640 8.126 6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.934 8.195 6.472 1.00 0.00 H new ATOM 847 N LEU A 54 3.657 6.646 2.134 1.00 0.00 N ATOM 848 CA LEU A 54 3.876 5.846 0.932 1.00 0.00 C ATOM 849 C LEU A 54 4.526 6.731 -0.127 1.00 0.00 C ATOM 850 O LEU A 54 5.292 6.275 -0.974 1.00 0.00 O ATOM 851 CB LEU A 54 2.519 5.295 0.482 1.00 0.00 C ATOM 852 CG LEU A 54 2.611 3.966 -0.272 1.00 0.00 C ATOM 853 CD1 LEU A 54 1.199 3.433 -0.503 1.00 0.00 C ATOM 854 CD2 LEU A 54 3.299 4.112 -1.627 1.00 0.00 C ATOM 0 H LEU A 54 2.699 6.958 2.291 1.00 0.00 H new ATOM 0 HA LEU A 54 4.544 5.004 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.883 5.162 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.032 6.032 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 54 3.205 3.283 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.251 2.486 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.706 3.279 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.630 4.153 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.339 3.141 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.738 4.812 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.312 4.487 -1.482 1.00 0.00 H new ATOM 866 N LEU A 55 4.235 8.020 -0.086 1.00 0.00 N ATOM 867 CA LEU A 55 4.806 8.900 -1.103 1.00 0.00 C ATOM 868 C LEU A 55 6.289 9.112 -0.838 1.00 0.00 C ATOM 869 O LEU A 55 7.081 9.311 -1.757 1.00 0.00 O ATOM 870 CB LEU A 55 4.084 10.248 -1.079 1.00 0.00 C ATOM 871 CG LEU A 55 2.588 10.114 -1.367 1.00 0.00 C ATOM 872 CD1 LEU A 55 1.922 11.476 -1.189 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.344 9.625 -2.793 1.00 0.00 C ATOM 0 H LEU A 55 3.635 8.470 0.605 1.00 0.00 H new ATOM 0 HA LEU A 55 4.682 8.437 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.223 10.714 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.535 10.912 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 55 2.167 9.386 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.855 11.389 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.069 11.822 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.366 12.191 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.272 9.539 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.772 10.336 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.813 8.651 -2.929 1.00 0.00 H new ATOM 885 N GLN A 56 6.686 9.077 0.421 1.00 0.00 N ATOM 886 CA GLN A 56 8.099 9.311 0.718 1.00 0.00 C ATOM 887 C GLN A 56 8.878 8.008 0.609 1.00 0.00 C ATOM 888 O GLN A 56 10.101 7.981 0.735 1.00 0.00 O ATOM 889 CB GLN A 56 8.240 9.876 2.129 1.00 0.00 C ATOM 890 CG GLN A 56 7.545 11.229 2.253 1.00 0.00 C ATOM 891 CD GLN A 56 7.749 11.803 3.645 1.00 0.00 C ATOM 892 OE1 GLN A 56 8.502 12.755 3.850 1.00 0.00 O ATOM 893 NE2 GLN A 56 7.077 11.228 4.625 1.00 0.00 N ATOM 0 H GLN A 56 6.086 8.898 1.226 1.00 0.00 H new ATOM 0 HA GLN A 56 8.499 10.026 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.812 9.177 2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.296 9.982 2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.941 11.918 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.480 11.118 2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.460 10.441 4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.175 11.571 5.581 1.00 0.00 H new ATOM 902 N MET A 57 8.178 6.910 0.387 1.00 0.00 N ATOM 903 CA MET A 57 8.875 5.628 0.339 1.00 0.00 C ATOM 904 C MET A 57 9.291 5.311 -1.090 1.00 0.00 C ATOM 905 O MET A 57 10.257 4.589 -1.327 1.00 0.00 O ATOM 906 CB MET A 57 7.948 4.539 0.872 1.00 0.00 C ATOM 907 CG MET A 57 8.648 3.182 0.878 1.00 0.00 C ATOM 908 SD MET A 57 7.547 1.944 1.578 1.00 0.00 S ATOM 909 CE MET A 57 8.618 0.503 1.440 1.00 0.00 C ATOM 0 H MET A 57 7.169 6.872 0.242 1.00 0.00 H new ATOM 0 HA MET A 57 9.773 5.676 0.955 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.627 4.792 1.883 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.050 4.487 0.256 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.930 2.902 -0.137 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.568 3.238 1.460 1.00 0.00 H new ATOM 0 HE1 MET A 57 8.100 -0.374 1.830 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.873 0.338 0.393 1.00 0.00 H new ATOM 0 HE3 MET A 57 9.530 0.671 2.014 1.00 0.00 H new ATOM 919 N LEU A 58 8.552 5.822 -2.059 1.00 0.00 N ATOM 920 CA LEU A 58 8.846 5.437 -3.438 1.00 0.00 C ATOM 921 C LEU A 58 9.109 6.672 -4.286 1.00 0.00 C ATOM 922 O LEU A 58 8.944 6.656 -5.505 1.00 0.00 O ATOM 923 CB LEU A 58 7.655 4.668 -4.011 1.00 0.00 C ATOM 924 CG LEU A 58 7.312 3.424 -3.190 1.00 0.00 C ATOM 925 CD1 LEU A 58 6.048 2.785 -3.759 1.00 0.00 C ATOM 926 CD2 LEU A 58 8.449 2.406 -3.235 1.00 0.00 C ATOM 0 H LEU A 58 7.778 6.475 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 58 9.735 4.806 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.786 5.325 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.876 4.373 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 58 7.157 3.724 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.796 1.897 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.225 3.498 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.219 2.503 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.178 1.532 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.627 2.104 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.355 2.854 -2.827 1.00 0.00 H new ATOM 938 N GLU A 59 9.527 7.755 -3.654 1.00 0.00 N ATOM 939 CA GLU A 59 9.840 8.950 -4.437 1.00 0.00 C ATOM 940 C GLU A 59 11.171 9.516 -3.971 1.00 0.00 C ATOM 941 O GLU A 59 11.249 10.614 -3.421 1.00 0.00 O ATOM 942 CB GLU A 59 8.748 10.005 -4.261 1.00 0.00 C ATOM 943 CG GLU A 59 7.395 9.514 -4.775 1.00 0.00 C ATOM 944 CD GLU A 59 7.460 9.199 -6.261 1.00 0.00 C ATOM 945 OE1 GLU A 59 8.208 9.886 -6.990 1.00 0.00 O ATOM 946 OE2 GLU A 59 6.765 8.262 -6.709 1.00 0.00 O ATOM 0 H GLU A 59 9.655 7.839 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 59 9.898 8.679 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.663 10.267 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.031 10.913 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.094 8.624 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.635 10.274 -4.593 1.00 0.00 H new