USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 469 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 21 ASN : amide:sc= -4.31! C(o=-8.5!,f=-3.9!) USER MOD Set 1.2: A 52 ASN : amide:sc= -4.21! C(o=-8.5!,f=-12!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.0537 K(o=0.019,f=-1.8) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.0729 K(o=0.019,f=-1.7!) USER MOD Set 3.1: A 26 GLN : amide:sc= -1.98 K(o=-9.8,f=-6.2) USER MOD Set 3.2: A 55 GLN : amide:sc= -7.83! C(o=-9.8!,f=-6.2!) USER MOD Single : A 1 VAL N :NH3+ 171:sc= -0.321 (180deg=-0.383) USER MOD Single : A 3 ASN : amide:sc=-0.00781 X(o=-0.0078,f=-0.42) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -2.07 K(o=-2.1,f=-5.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 172:sc= -10.5! (180deg=-10.8!) USER MOD Single : A 23 ASN : amide:sc= -0.473 K(o=-0.47,f=-11!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.248 K(o=0.25,f=-1.8!) USER MOD Single : A 33 SER OG : rot 66:sc= 0.957 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -86:sc= -1.06 USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= 0.709 (180deg=0.197) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00384) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.828 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.722 -11.901 17.851 1.00 0.00 N ATOM 2 CA VAL A 1 -4.167 -11.770 17.505 1.00 0.00 C ATOM 3 C VAL A 1 -4.311 -11.596 15.989 1.00 0.00 C ATOM 4 O VAL A 1 -5.168 -12.223 15.363 1.00 0.00 O ATOM 5 CB VAL A 1 -4.771 -10.567 18.266 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.062 -9.260 17.871 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.272 -10.450 17.952 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.608 -11.866 18.884 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.360 -12.808 17.493 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.189 -11.120 17.417 1.00 0.00 H new ATOM 0 HA VAL A 1 -4.708 -12.668 17.801 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.631 -10.732 19.334 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.503 -8.427 18.418 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.002 -9.333 18.114 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.178 -9.092 16.800 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -6.691 -9.601 18.491 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.409 -10.303 16.881 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.781 -11.363 18.261 1.00 0.00 H new ATOM 19 N ASP A 2 -3.461 -10.745 15.411 1.00 0.00 N ATOM 20 CA ASP A 2 -3.481 -10.488 13.970 1.00 0.00 C ATOM 21 C ASP A 2 -2.803 -11.627 13.211 1.00 0.00 C ATOM 22 O ASP A 2 -1.816 -12.196 13.681 1.00 0.00 O ATOM 23 CB ASP A 2 -2.764 -9.167 13.665 1.00 0.00 C ATOM 24 CG ASP A 2 -2.856 -8.846 12.170 1.00 0.00 C ATOM 25 OD1 ASP A 2 -3.834 -8.238 11.769 1.00 0.00 O ATOM 26 OD2 ASP A 2 -1.945 -9.216 11.448 1.00 0.00 O ATOM 0 H ASP A 2 -2.749 -10.221 15.920 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.520 -10.421 13.646 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.211 -8.360 14.245 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.719 -9.235 13.966 1.00 0.00 H new ATOM 31 N ASN A 3 -3.339 -11.943 12.031 1.00 0.00 N ATOM 32 CA ASN A 3 -2.784 -13.006 11.190 1.00 0.00 C ATOM 33 C ASN A 3 -1.459 -12.544 10.568 1.00 0.00 C ATOM 34 O ASN A 3 -0.779 -11.675 11.116 1.00 0.00 O ATOM 35 CB ASN A 3 -3.790 -13.365 10.081 1.00 0.00 C ATOM 36 CG ASN A 3 -5.143 -13.742 10.682 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.207 -14.375 11.736 1.00 0.00 O ATOM 38 ND2 ASN A 3 -6.238 -13.393 10.065 1.00 0.00 N ATOM 0 H ASN A 3 -4.157 -11.478 11.636 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.596 -13.888 11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.910 -12.519 9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.405 -14.195 9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.146 -13.645 10.456 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -6.186 -12.869 9.192 1.00 0.00 H new ATOM 45 N LYS A 4 -1.094 -13.125 9.422 1.00 0.00 N ATOM 46 CA LYS A 4 0.147 -12.752 8.742 1.00 0.00 C ATOM 47 C LYS A 4 -0.010 -11.399 8.056 1.00 0.00 C ATOM 48 O LYS A 4 0.887 -10.942 7.340 1.00 0.00 O ATOM 49 CB LYS A 4 0.510 -13.806 7.690 1.00 0.00 C ATOM 50 CG LYS A 4 0.343 -15.216 8.278 1.00 0.00 C ATOM 51 CD LYS A 4 1.060 -16.232 7.383 1.00 0.00 C ATOM 52 CE LYS A 4 2.513 -16.375 7.836 1.00 0.00 C ATOM 53 NZ LYS A 4 3.241 -17.281 6.903 1.00 0.00 N ATOM 0 H LYS A 4 -1.635 -13.849 8.950 1.00 0.00 H new ATOM 0 HA LYS A 4 0.940 -12.691 9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.127 -13.691 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.538 -13.661 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.753 -15.251 9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.715 -15.466 8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.556 -17.197 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.022 -15.907 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.995 -15.398 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.551 -16.774 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.229 -17.377 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.786 -18.216 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.216 -16.883 5.943 1.00 0.00 H new ATOM 67 N PHE A 5 -1.170 -10.784 8.261 1.00 0.00 N ATOM 68 CA PHE A 5 -1.485 -9.506 7.650 1.00 0.00 C ATOM 69 C PHE A 5 -0.473 -8.424 7.982 1.00 0.00 C ATOM 70 O PHE A 5 0.071 -7.795 7.088 1.00 0.00 O ATOM 71 CB PHE A 5 -2.818 -9.000 8.185 1.00 0.00 C ATOM 72 CG PHE A 5 -3.994 -9.619 7.479 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.027 -10.993 7.201 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.073 -8.801 7.120 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.146 -11.541 6.557 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.182 -9.347 6.479 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.222 -10.712 6.196 1.00 0.00 C ATOM 0 H PHE A 5 -1.912 -11.158 8.853 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.494 -9.684 6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.884 -9.216 9.251 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.862 -7.916 8.076 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.197 -11.625 7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.045 -7.744 7.341 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.181 -12.598 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.011 -8.713 6.201 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.083 -11.133 5.698 1.00 0.00 H new ATOM 87 N ASN A 6 -0.266 -8.178 9.273 1.00 0.00 N ATOM 88 CA ASN A 6 0.628 -7.105 9.691 1.00 0.00 C ATOM 89 C ASN A 6 2.003 -7.223 9.071 1.00 0.00 C ATOM 90 O ASN A 6 2.510 -6.248 8.545 1.00 0.00 O ATOM 91 CB ASN A 6 0.788 -7.105 11.208 1.00 0.00 C ATOM 92 CG ASN A 6 -0.512 -6.702 11.905 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.418 -6.152 11.282 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.655 -6.946 13.177 1.00 0.00 N ATOM 0 H ASN A 6 -0.698 -8.699 10.036 1.00 0.00 H new ATOM 0 HA ASN A 6 0.171 -6.176 9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.090 -8.097 11.544 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.584 -6.416 11.492 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.517 -6.681 13.653 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.095 -7.402 13.696 1.00 0.00 H new ATOM 101 N LYS A 7 2.594 -8.411 9.116 1.00 0.00 N ATOM 102 CA LYS A 7 3.919 -8.603 8.550 1.00 0.00 C ATOM 103 C LYS A 7 3.928 -8.262 7.068 1.00 0.00 C ATOM 104 O LYS A 7 4.859 -7.625 6.581 1.00 0.00 O ATOM 105 CB LYS A 7 4.375 -10.044 8.783 1.00 0.00 C ATOM 106 CG LYS A 7 5.793 -10.268 8.222 1.00 0.00 C ATOM 107 CD LYS A 7 6.834 -9.521 9.079 1.00 0.00 C ATOM 108 CE LYS A 7 7.245 -8.214 8.391 1.00 0.00 C ATOM 109 NZ LYS A 7 8.498 -7.698 9.009 1.00 0.00 N ATOM 0 H LYS A 7 2.181 -9.245 9.534 1.00 0.00 H new ATOM 0 HA LYS A 7 4.617 -7.930 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.362 -10.266 9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.678 -10.732 8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.021 -11.334 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.843 -9.918 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.419 -9.307 10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.710 -10.151 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.396 -8.384 7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.449 -7.475 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.776 -6.811 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.338 -7.521 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.256 -8.401 8.896 1.00 0.00 H new ATOM 123 N GLU A 8 2.878 -8.666 6.367 1.00 0.00 N ATOM 124 CA GLU A 8 2.765 -8.381 4.947 1.00 0.00 C ATOM 125 C GLU A 8 2.451 -6.901 4.736 1.00 0.00 C ATOM 126 O GLU A 8 2.951 -6.267 3.806 1.00 0.00 O ATOM 127 CB GLU A 8 1.660 -9.266 4.365 1.00 0.00 C ATOM 128 CG GLU A 8 1.574 -9.075 2.852 1.00 0.00 C ATOM 129 CD GLU A 8 2.920 -9.380 2.189 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.264 -10.547 2.099 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.587 -8.440 1.785 1.00 0.00 O ATOM 0 H GLU A 8 2.096 -9.190 6.758 1.00 0.00 H new ATOM 0 HA GLU A 8 3.705 -8.596 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.862 -10.312 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.704 -9.017 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.805 -9.729 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.276 -8.051 2.626 1.00 0.00 H new ATOM 138 N ARG A 9 1.622 -6.377 5.627 1.00 0.00 N ATOM 139 CA ARG A 9 1.205 -4.994 5.605 1.00 0.00 C ATOM 140 C ARG A 9 2.347 -4.055 5.964 1.00 0.00 C ATOM 141 O ARG A 9 2.387 -2.956 5.458 1.00 0.00 O ATOM 142 CB ARG A 9 0.005 -4.783 6.538 1.00 0.00 C ATOM 143 CG ARG A 9 -1.237 -5.435 5.905 1.00 0.00 C ATOM 144 CD ARG A 9 -2.480 -5.189 6.761 1.00 0.00 C ATOM 145 NE ARG A 9 -2.263 -5.658 8.128 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.069 -5.296 9.120 1.00 0.00 C ATOM 147 NH1 ARG A 9 -3.086 -4.059 9.526 1.00 0.00 N ATOM 148 NH2 ARG A 9 -3.836 -6.179 9.693 1.00 0.00 N ATOM 0 H ARG A 9 1.218 -6.914 6.394 1.00 0.00 H new ATOM 0 HA ARG A 9 0.900 -4.754 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.205 -5.222 7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.167 -3.718 6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.394 -5.032 4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.073 -6.507 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.718 -4.125 6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.336 -5.704 6.325 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.476 -6.276 8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.481 -3.368 9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.705 -3.781 10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.818 -7.150 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.454 -5.900 10.455 1.00 0.00 H new ATOM 162 N VAL A 10 3.263 -4.485 6.843 1.00 0.00 N ATOM 163 CA VAL A 10 4.393 -3.629 7.245 1.00 0.00 C ATOM 164 C VAL A 10 5.219 -3.331 6.025 1.00 0.00 C ATOM 165 O VAL A 10 5.611 -2.197 5.744 1.00 0.00 O ATOM 166 CB VAL A 10 5.356 -4.313 8.237 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.416 -3.290 8.693 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.623 -4.873 9.457 1.00 0.00 C ATOM 0 H VAL A 10 3.247 -5.404 7.284 1.00 0.00 H new ATOM 0 HA VAL A 10 3.959 -2.747 7.716 1.00 0.00 H new ATOM 0 HB VAL A 10 5.828 -5.153 7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.102 -3.765 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.973 -2.933 7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.924 -2.448 9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.341 -5.345 10.128 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.116 -4.062 9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.889 -5.611 9.133 1.00 0.00 H new ATOM 178 N ILE A 11 5.490 -4.404 5.326 1.00 0.00 N ATOM 179 CA ILE A 11 6.275 -4.361 4.133 1.00 0.00 C ATOM 180 C ILE A 11 5.582 -3.489 3.104 1.00 0.00 C ATOM 181 O ILE A 11 6.188 -2.622 2.487 1.00 0.00 O ATOM 182 CB ILE A 11 6.400 -5.793 3.612 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.081 -6.671 4.679 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.208 -5.817 2.316 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.915 -8.149 4.306 1.00 0.00 C ATOM 0 H ILE A 11 5.166 -5.338 5.577 1.00 0.00 H new ATOM 0 HA ILE A 11 7.262 -3.943 4.330 1.00 0.00 H new ATOM 0 HB ILE A 11 5.405 -6.186 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.139 -6.420 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.641 -6.480 5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.289 -6.843 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.707 -5.207 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.205 -5.418 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.397 -8.771 5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.854 -8.395 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.376 -8.333 3.336 1.00 0.00 H new ATOM 197 N ALA A 12 4.301 -3.764 2.936 1.00 0.00 N ATOM 198 CA ALA A 12 3.470 -3.068 1.976 1.00 0.00 C ATOM 199 C ALA A 12 3.170 -1.622 2.359 1.00 0.00 C ATOM 200 O ALA A 12 3.312 -0.725 1.532 1.00 0.00 O ATOM 201 CB ALA A 12 2.180 -3.836 1.869 1.00 0.00 C ATOM 0 H ALA A 12 3.807 -4.482 3.466 1.00 0.00 H new ATOM 0 HA ALA A 12 4.009 -3.020 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.522 -3.344 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.388 -4.852 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.695 -3.870 2.844 1.00 0.00 H new ATOM 207 N ILE A 13 2.771 -1.390 3.608 1.00 0.00 N ATOM 208 CA ILE A 13 2.488 -0.043 4.058 1.00 0.00 C ATOM 209 C ILE A 13 3.766 0.758 3.941 1.00 0.00 C ATOM 210 O ILE A 13 3.761 1.911 3.545 1.00 0.00 O ATOM 211 CB ILE A 13 1.988 -0.046 5.517 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.462 1.359 5.870 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.129 -0.456 6.470 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.869 1.758 7.289 1.00 0.00 C ATOM 0 H ILE A 13 2.640 -2.114 4.315 1.00 0.00 H new ATOM 0 HA ILE A 13 1.702 0.399 3.446 1.00 0.00 H new ATOM 0 HB ILE A 13 1.180 -0.770 5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.852 2.086 5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.376 1.377 5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.764 -0.454 7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.478 -1.455 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.953 0.252 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.485 2.753 7.511 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.457 1.043 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.956 1.763 7.368 1.00 0.00 H new ATOM 226 N GLY A 14 4.864 0.093 4.261 1.00 0.00 N ATOM 227 CA GLY A 14 6.167 0.691 4.182 1.00 0.00 C ATOM 228 C GLY A 14 6.485 1.009 2.727 1.00 0.00 C ATOM 229 O GLY A 14 7.092 2.040 2.430 1.00 0.00 O ATOM 0 H GLY A 14 4.867 -0.875 4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.199 1.601 4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.917 0.013 4.591 1.00 0.00 H new ATOM 233 N GLU A 15 6.050 0.120 1.815 1.00 0.00 N ATOM 234 CA GLU A 15 6.283 0.338 0.395 1.00 0.00 C ATOM 235 C GLU A 15 5.414 1.476 -0.123 1.00 0.00 C ATOM 236 O GLU A 15 5.879 2.349 -0.855 1.00 0.00 O ATOM 237 CB GLU A 15 5.891 -0.916 -0.397 1.00 0.00 C ATOM 238 CG GLU A 15 6.857 -2.074 -0.135 1.00 0.00 C ATOM 239 CD GLU A 15 7.762 -2.288 -1.351 1.00 0.00 C ATOM 240 OE1 GLU A 15 7.289 -2.842 -2.332 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.911 -1.885 -1.288 1.00 0.00 O ATOM 0 H GLU A 15 5.546 -0.737 2.040 1.00 0.00 H new ATOM 0 HA GLU A 15 7.340 0.573 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.879 -1.217 -0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.879 -0.685 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.462 -1.861 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.297 -2.985 0.076 1.00 0.00 H new ATOM 248 N ILE A 16 4.137 1.429 0.247 1.00 0.00 N ATOM 249 CA ILE A 16 3.173 2.425 -0.188 1.00 0.00 C ATOM 250 C ILE A 16 3.389 3.792 0.469 1.00 0.00 C ATOM 251 O ILE A 16 3.255 4.830 -0.176 1.00 0.00 O ATOM 252 CB ILE A 16 1.759 1.867 0.008 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.574 0.798 -1.071 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.663 2.948 -0.136 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.402 -0.105 -0.741 1.00 0.00 C ATOM 0 H ILE A 16 3.748 0.705 0.851 1.00 0.00 H new ATOM 0 HA ILE A 16 3.319 2.620 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 16 1.658 1.469 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.410 1.275 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.483 0.203 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.317 2.495 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.820 3.727 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.713 3.386 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.291 -0.857 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.581 -0.598 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.509 0.490 -0.677 1.00 0.00 H new ATOM 267 N MET A 17 3.722 3.785 1.751 1.00 0.00 N ATOM 268 CA MET A 17 3.960 5.028 2.482 1.00 0.00 C ATOM 269 C MET A 17 5.184 5.762 1.917 1.00 0.00 C ATOM 270 O MET A 17 5.319 6.976 2.084 1.00 0.00 O ATOM 271 CB MET A 17 4.140 4.731 3.978 1.00 0.00 C ATOM 272 CG MET A 17 2.782 4.354 4.597 1.00 0.00 C ATOM 273 SD MET A 17 1.679 5.788 4.656 1.00 0.00 S ATOM 274 CE MET A 17 0.115 4.863 4.637 1.00 0.00 C ATOM 0 H MET A 17 3.834 2.938 2.308 1.00 0.00 H new ATOM 0 HA MET A 17 3.094 5.679 2.360 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.852 3.917 4.114 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.553 5.603 4.485 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.320 3.558 4.013 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.932 3.964 5.604 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.715 5.548 4.811 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.010 4.380 3.668 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.131 4.106 5.421 1.00 0.00 H new ATOM 284 N ARG A 18 6.059 5.016 1.230 1.00 0.00 N ATOM 285 CA ARG A 18 7.257 5.580 0.618 1.00 0.00 C ATOM 286 C ARG A 18 6.875 6.491 -0.545 1.00 0.00 C ATOM 287 O ARG A 18 7.545 7.489 -0.821 1.00 0.00 O ATOM 288 CB ARG A 18 8.127 4.423 0.116 1.00 0.00 C ATOM 289 CG ARG A 18 9.405 4.940 -0.550 1.00 0.00 C ATOM 290 CD ARG A 18 10.128 3.766 -1.210 1.00 0.00 C ATOM 291 NE ARG A 18 10.580 2.805 -0.201 1.00 0.00 N ATOM 292 CZ ARG A 18 9.970 1.632 -0.036 1.00 0.00 C ATOM 293 NH1 ARG A 18 9.832 0.819 -1.043 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.512 1.299 1.136 1.00 0.00 N ATOM 0 H ARG A 18 5.953 4.012 1.086 1.00 0.00 H new ATOM 0 HA ARG A 18 7.806 6.174 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.387 3.771 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.561 3.821 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.162 5.699 -1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.051 5.413 0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.461 3.272 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.982 4.132 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 18 11.379 3.039 0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.191 1.079 -1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.365 -0.078 -0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.620 1.936 1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.045 0.402 1.265 1.00 0.00 H new ATOM 308 N LEU A 19 5.801 6.102 -1.226 1.00 0.00 N ATOM 309 CA LEU A 19 5.288 6.816 -2.390 1.00 0.00 C ATOM 310 C LEU A 19 5.133 8.322 -2.125 1.00 0.00 C ATOM 311 O LEU A 19 4.242 8.740 -1.381 1.00 0.00 O ATOM 312 CB LEU A 19 3.949 6.183 -2.772 1.00 0.00 C ATOM 313 CG LEU A 19 4.145 4.659 -2.901 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.820 3.960 -3.200 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.156 4.379 -4.010 1.00 0.00 C ATOM 0 H LEU A 19 5.257 5.274 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 19 6.000 6.729 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.196 6.405 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.588 6.599 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 19 4.520 4.267 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.986 2.886 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.116 4.154 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.411 4.340 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.300 3.303 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.784 4.782 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.107 4.852 -3.763 1.00 0.00 H new ATOM 327 N PRO A 20 6.004 9.137 -2.704 1.00 0.00 N ATOM 328 CA PRO A 20 5.989 10.620 -2.513 1.00 0.00 C ATOM 329 C PRO A 20 4.902 11.348 -3.311 1.00 0.00 C ATOM 330 O PRO A 20 4.692 12.544 -3.094 1.00 0.00 O ATOM 331 CB PRO A 20 7.371 11.088 -3.007 1.00 0.00 C ATOM 332 CG PRO A 20 8.107 9.877 -3.487 1.00 0.00 C ATOM 333 CD PRO A 20 7.101 8.737 -3.600 1.00 0.00 C ATOM 0 HA PRO A 20 5.776 10.849 -1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.265 11.817 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.921 11.578 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.575 10.071 -4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.906 9.615 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.753 8.612 -4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.539 7.787 -3.294 1.00 0.00 H new ATOM 341 N ASN A 21 4.235 10.660 -4.246 1.00 0.00 N ATOM 342 CA ASN A 21 3.212 11.337 -5.059 1.00 0.00 C ATOM 343 C ASN A 21 1.842 11.245 -4.418 1.00 0.00 C ATOM 344 O ASN A 21 1.238 12.267 -4.087 1.00 0.00 O ATOM 345 CB ASN A 21 3.177 10.756 -6.485 1.00 0.00 C ATOM 346 CG ASN A 21 4.233 11.453 -7.332 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.155 12.658 -7.565 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.225 10.764 -7.796 1.00 0.00 N ATOM 0 H ASN A 21 4.375 9.672 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 21 3.484 12.391 -5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.364 9.683 -6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.189 10.897 -6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.945 11.220 -8.357 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.287 9.765 -7.601 1.00 0.00 H new ATOM 355 N LEU A 22 1.365 10.020 -4.265 1.00 0.00 N ATOM 356 CA LEU A 22 0.049 9.753 -3.686 1.00 0.00 C ATOM 357 C LEU A 22 -0.276 10.667 -2.522 1.00 0.00 C ATOM 358 O LEU A 22 0.593 11.002 -1.712 1.00 0.00 O ATOM 359 CB LEU A 22 0.012 8.321 -3.175 1.00 0.00 C ATOM 360 CG LEU A 22 0.219 7.363 -4.337 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.705 6.032 -3.802 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.097 7.169 -5.072 1.00 0.00 C ATOM 0 H LEU A 22 1.876 9.180 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.685 9.926 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.788 8.171 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.944 8.121 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 22 0.959 7.772 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.856 5.340 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.647 6.175 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.037 5.622 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.950 6.482 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.838 6.756 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.447 8.129 -5.450 1.00 0.00 H new ATOM 374 N ASN A 23 -1.553 11.006 -2.412 1.00 0.00 N ATOM 375 CA ASN A 23 -2.017 11.817 -1.304 1.00 0.00 C ATOM 376 C ASN A 23 -2.236 10.872 -0.148 1.00 0.00 C ATOM 377 O ASN A 23 -2.340 9.662 -0.361 1.00 0.00 O ATOM 378 CB ASN A 23 -3.310 12.558 -1.672 1.00 0.00 C ATOM 379 CG ASN A 23 -4.259 11.627 -2.419 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.818 10.714 -1.826 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.463 11.800 -3.695 1.00 0.00 N ATOM 0 H ASN A 23 -2.279 10.732 -3.074 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.288 12.585 -1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.792 12.932 -0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.077 13.424 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.089 11.174 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.996 12.562 -4.187 1.00 0.00 H new ATOM 388 N SER A 24 -2.278 11.391 1.064 1.00 0.00 N ATOM 389 CA SER A 24 -2.445 10.524 2.215 1.00 0.00 C ATOM 390 C SER A 24 -3.621 9.585 2.031 1.00 0.00 C ATOM 391 O SER A 24 -3.562 8.452 2.449 1.00 0.00 O ATOM 392 CB SER A 24 -2.655 11.329 3.479 1.00 0.00 C ATOM 393 OG SER A 24 -3.773 12.192 3.321 1.00 0.00 O ATOM 0 H SER A 24 -2.201 12.386 1.276 1.00 0.00 H new ATOM 0 HA SER A 24 -1.529 9.940 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.817 10.660 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.762 11.913 3.702 1.00 0.00 H new ATOM 0 HG SER A 24 -3.906 12.709 4.143 1.00 0.00 H new ATOM 399 N LEU A 25 -4.679 10.055 1.397 1.00 0.00 N ATOM 400 CA LEU A 25 -5.849 9.220 1.187 1.00 0.00 C ATOM 401 C LEU A 25 -5.514 8.032 0.335 1.00 0.00 C ATOM 402 O LEU A 25 -5.855 6.925 0.698 1.00 0.00 O ATOM 403 CB LEU A 25 -6.944 10.003 0.493 1.00 0.00 C ATOM 404 CG LEU A 25 -7.251 11.308 1.236 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.250 12.411 0.856 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.642 11.754 0.824 1.00 0.00 C ATOM 0 H LEU A 25 -4.754 11.000 1.022 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.189 8.887 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.642 10.227 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.847 9.395 0.433 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.181 11.137 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.492 13.325 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.241 12.092 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.306 12.600 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.893 12.683 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.668 11.915 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.365 10.984 1.093 1.00 0.00 H new ATOM 418 N GLN A 26 -4.834 8.259 -0.784 1.00 0.00 N ATOM 419 CA GLN A 26 -4.451 7.165 -1.643 1.00 0.00 C ATOM 420 C GLN A 26 -3.448 6.306 -0.931 1.00 0.00 C ATOM 421 O GLN A 26 -3.541 5.086 -0.929 1.00 0.00 O ATOM 422 CB GLN A 26 -3.845 7.678 -2.920 1.00 0.00 C ATOM 423 CG GLN A 26 -4.949 8.263 -3.802 1.00 0.00 C ATOM 424 CD GLN A 26 -5.868 7.156 -4.326 1.00 0.00 C ATOM 425 OE1 GLN A 26 -7.083 7.337 -4.383 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.361 6.016 -4.709 1.00 0.00 N ATOM 0 H GLN A 26 -4.544 9.182 -1.107 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.340 6.584 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.096 8.439 -2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.334 6.870 -3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.532 8.986 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.505 8.801 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.353 5.865 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.972 5.277 -5.055 1.00 0.00 H new ATOM 435 N VAL A 27 -2.517 6.978 -0.279 1.00 0.00 N ATOM 436 CA VAL A 27 -1.493 6.315 0.487 1.00 0.00 C ATOM 437 C VAL A 27 -2.181 5.428 1.509 1.00 0.00 C ATOM 438 O VAL A 27 -1.818 4.268 1.705 1.00 0.00 O ATOM 439 CB VAL A 27 -0.657 7.412 1.180 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.146 6.870 2.353 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.312 8.042 0.177 1.00 0.00 C ATOM 0 H VAL A 27 -2.455 7.996 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.840 5.700 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.359 8.155 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.717 7.679 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.532 6.445 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.829 6.097 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.898 8.815 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.980 7.275 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.251 8.485 -0.644 1.00 0.00 H new ATOM 451 N VAL A 28 -3.208 5.996 2.114 1.00 0.00 N ATOM 452 CA VAL A 28 -4.021 5.289 3.088 1.00 0.00 C ATOM 453 C VAL A 28 -4.921 4.268 2.419 1.00 0.00 C ATOM 454 O VAL A 28 -5.185 3.195 2.960 1.00 0.00 O ATOM 455 CB VAL A 28 -4.790 6.256 3.964 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.574 5.451 5.003 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.762 7.135 4.679 1.00 0.00 C ATOM 0 H VAL A 28 -3.502 6.958 1.945 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.354 4.732 3.745 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.479 6.865 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.135 6.132 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.265 4.778 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.881 4.869 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.278 7.848 5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.106 6.509 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.169 7.675 3.941 1.00 0.00 H new ATOM 467 N ALA A 29 -5.388 4.633 1.236 1.00 0.00 N ATOM 468 CA ALA A 29 -6.260 3.790 0.446 1.00 0.00 C ATOM 469 C ALA A 29 -5.588 2.471 0.268 1.00 0.00 C ATOM 470 O ALA A 29 -6.208 1.408 0.309 1.00 0.00 O ATOM 471 CB ALA A 29 -6.435 4.415 -0.924 1.00 0.00 C ATOM 0 H ALA A 29 -5.170 5.528 0.798 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.226 3.677 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.091 3.788 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.877 5.406 -0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.464 4.501 -1.412 1.00 0.00 H new ATOM 477 N PHE A 30 -4.289 2.571 0.093 1.00 0.00 N ATOM 478 CA PHE A 30 -3.478 1.438 -0.063 1.00 0.00 C ATOM 479 C PHE A 30 -3.365 0.716 1.239 1.00 0.00 C ATOM 480 O PHE A 30 -3.426 -0.504 1.242 1.00 0.00 O ATOM 481 CB PHE A 30 -2.134 1.877 -0.553 1.00 0.00 C ATOM 482 CG PHE A 30 -2.218 1.993 -2.038 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.392 0.845 -2.810 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.195 3.243 -2.634 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.518 0.954 -4.185 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.337 3.362 -4.000 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.492 2.213 -4.791 1.00 0.00 C ATOM 0 H PHE A 30 -3.786 3.457 0.058 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.916 0.754 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.856 2.833 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.367 1.157 -0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.428 -0.126 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.065 4.127 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.636 0.066 -4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.329 4.339 -4.461 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.591 2.301 -5.863 1.00 0.00 H new ATOM 497 N ILE A 31 -3.256 1.462 2.355 1.00 0.00 N ATOM 498 CA ILE A 31 -3.187 0.783 3.647 1.00 0.00 C ATOM 499 C ILE A 31 -4.431 -0.081 3.761 1.00 0.00 C ATOM 500 O ILE A 31 -4.398 -1.211 4.253 1.00 0.00 O ATOM 501 CB ILE A 31 -3.224 1.745 4.844 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.092 2.760 4.790 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.092 0.941 6.149 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.306 3.778 5.920 1.00 0.00 C ATOM 0 H ILE A 31 -3.216 2.481 2.385 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.247 0.232 3.679 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.173 2.280 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.129 2.262 4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.078 3.263 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.118 1.622 7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.917 0.233 6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.147 0.398 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.505 4.517 5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.264 4.278 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.301 3.262 6.880 1.00 0.00 H new ATOM 516 N ASN A 32 -5.531 0.504 3.290 1.00 0.00 N ATOM 517 CA ASN A 32 -6.824 -0.148 3.317 1.00 0.00 C ATOM 518 C ASN A 32 -6.880 -1.347 2.381 1.00 0.00 C ATOM 519 O ASN A 32 -7.497 -2.358 2.707 1.00 0.00 O ATOM 520 CB ASN A 32 -7.890 0.879 2.933 1.00 0.00 C ATOM 521 CG ASN A 32 -8.331 1.659 4.167 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.446 1.478 4.654 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.514 2.521 4.706 1.00 0.00 N ATOM 0 H ASN A 32 -5.544 1.439 2.882 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.005 -0.528 4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.494 1.563 2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.747 0.376 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.799 3.046 5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.590 2.670 4.301 1.00 0.00 H new ATOM 530 N SER A 33 -6.240 -1.241 1.223 1.00 0.00 N ATOM 531 CA SER A 33 -6.243 -2.335 0.273 1.00 0.00 C ATOM 532 C SER A 33 -5.492 -3.543 0.831 1.00 0.00 C ATOM 533 O SER A 33 -5.857 -4.687 0.557 1.00 0.00 O ATOM 534 CB SER A 33 -5.608 -1.880 -1.029 1.00 0.00 C ATOM 535 OG SER A 33 -6.228 -0.677 -1.465 1.00 0.00 O ATOM 0 H SER A 33 -5.719 -0.416 0.925 1.00 0.00 H new ATOM 0 HA SER A 33 -7.275 -2.634 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.539 -1.720 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.717 -2.654 -1.789 1.00 0.00 H new ATOM 0 HG SER A 33 -6.029 0.042 -0.830 1.00 0.00 H new ATOM 541 N LEU A 34 -4.429 -3.279 1.601 1.00 0.00 N ATOM 542 CA LEU A 34 -3.618 -4.377 2.178 1.00 0.00 C ATOM 543 C LEU A 34 -4.470 -5.262 3.083 1.00 0.00 C ATOM 544 O LEU A 34 -4.415 -6.483 2.996 1.00 0.00 O ATOM 545 CB LEU A 34 -2.435 -3.869 3.031 1.00 0.00 C ATOM 546 CG LEU A 34 -1.811 -2.589 2.471 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.528 -2.257 3.239 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.480 -2.754 0.989 1.00 0.00 C ATOM 0 H LEU A 34 -4.109 -2.340 1.839 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.233 -4.932 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.779 -3.686 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.673 -4.646 3.087 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.531 -1.779 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.088 -1.345 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.762 -2.111 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.181 -3.078 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.037 -1.833 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.774 -3.575 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.393 -2.973 0.435 1.00 0.00 H new ATOM 560 N ARG A 35 -5.255 -4.636 3.953 1.00 0.00 N ATOM 561 CA ARG A 35 -6.120 -5.385 4.866 1.00 0.00 C ATOM 562 C ARG A 35 -7.279 -6.000 4.107 1.00 0.00 C ATOM 563 O ARG A 35 -7.708 -7.117 4.402 1.00 0.00 O ATOM 564 CB ARG A 35 -6.613 -4.494 6.004 1.00 0.00 C ATOM 565 CG ARG A 35 -7.380 -3.283 5.460 1.00 0.00 C ATOM 566 CD ARG A 35 -7.797 -2.369 6.618 1.00 0.00 C ATOM 567 NE ARG A 35 -8.603 -1.252 6.124 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.770 -1.454 5.521 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.819 -1.778 6.220 1.00 0.00 N ATOM 570 NH2 ARG A 35 -9.862 -1.329 4.231 1.00 0.00 N ATOM 0 H ARG A 35 -5.313 -3.622 4.048 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.538 -6.193 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.258 -5.069 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.765 -4.155 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.756 -2.732 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.261 -3.616 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.366 -2.939 7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.911 -1.989 7.127 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.262 -0.298 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.746 -1.877 7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.714 -1.933 5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.040 -1.076 3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.757 -1.484 3.766 1.00 0.00 H new ATOM 584 N ASP A 36 -7.746 -5.278 3.093 1.00 0.00 N ATOM 585 CA ASP A 36 -8.818 -5.764 2.247 1.00 0.00 C ATOM 586 C ASP A 36 -8.301 -6.960 1.463 1.00 0.00 C ATOM 587 O ASP A 36 -9.078 -7.777 0.965 1.00 0.00 O ATOM 588 CB ASP A 36 -9.278 -4.654 1.286 1.00 0.00 C ATOM 589 CG ASP A 36 -10.002 -3.527 2.039 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.520 -3.777 3.119 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.025 -2.422 1.520 1.00 0.00 O ATOM 0 H ASP A 36 -7.395 -4.354 2.841 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.672 -6.060 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.416 -4.246 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.943 -5.076 0.532 1.00 0.00 H new ATOM 596 N ASP A 37 -6.967 -7.043 1.367 1.00 0.00 N ATOM 597 CA ASP A 37 -6.318 -8.132 0.643 1.00 0.00 C ATOM 598 C ASP A 37 -4.796 -8.119 0.864 1.00 0.00 C ATOM 599 O ASP A 37 -4.065 -7.430 0.144 1.00 0.00 O ATOM 600 CB ASP A 37 -6.622 -7.998 -0.856 1.00 0.00 C ATOM 601 CG ASP A 37 -6.370 -9.328 -1.578 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.385 -9.981 -1.266 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.166 -9.671 -2.435 1.00 0.00 O ATOM 0 H ASP A 37 -6.323 -6.369 1.782 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.708 -9.077 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.659 -7.692 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.998 -7.218 -1.291 1.00 0.00 H new ATOM 608 N PRO A 38 -4.300 -8.867 1.833 1.00 0.00 N ATOM 609 CA PRO A 38 -2.837 -8.936 2.120 1.00 0.00 C ATOM 610 C PRO A 38 -2.090 -9.674 1.013 1.00 0.00 C ATOM 611 O PRO A 38 -0.926 -9.390 0.739 1.00 0.00 O ATOM 612 CB PRO A 38 -2.721 -9.686 3.452 1.00 0.00 C ATOM 613 CG PRO A 38 -4.110 -10.012 3.896 1.00 0.00 C ATOM 614 CD PRO A 38 -5.070 -9.722 2.743 1.00 0.00 C ATOM 0 HA PRO A 38 -2.392 -7.942 2.172 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.132 -10.595 3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.213 -9.073 4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.177 -11.059 4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.377 -9.418 4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.389 -10.641 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.971 -9.219 3.093 1.00 0.00 H new ATOM 622 N SER A 39 -2.784 -10.613 0.367 1.00 0.00 N ATOM 623 CA SER A 39 -2.198 -11.376 -0.727 1.00 0.00 C ATOM 624 C SER A 39 -1.858 -10.428 -1.865 1.00 0.00 C ATOM 625 O SER A 39 -0.888 -10.632 -2.598 1.00 0.00 O ATOM 626 CB SER A 39 -3.175 -12.450 -1.216 1.00 0.00 C ATOM 627 OG SER A 39 -3.661 -13.186 -0.100 1.00 0.00 O ATOM 0 H SER A 39 -3.749 -10.860 0.585 1.00 0.00 H new ATOM 0 HA SER A 39 -1.293 -11.871 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.005 -11.987 -1.750 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.677 -13.119 -1.918 1.00 0.00 H new ATOM 0 HG SER A 39 -4.288 -13.873 -0.409 1.00 0.00 H new ATOM 633 N GLN A 40 -2.674 -9.378 -1.989 1.00 0.00 N ATOM 634 CA GLN A 40 -2.478 -8.375 -3.019 1.00 0.00 C ATOM 635 C GLN A 40 -1.672 -7.198 -2.486 1.00 0.00 C ATOM 636 O GLN A 40 -1.492 -6.208 -3.186 1.00 0.00 O ATOM 637 CB GLN A 40 -3.831 -7.889 -3.554 1.00 0.00 C ATOM 638 CG GLN A 40 -4.553 -9.042 -4.266 1.00 0.00 C ATOM 639 CD GLN A 40 -3.796 -9.443 -5.530 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.633 -8.633 -6.443 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.315 -10.650 -5.635 1.00 0.00 N ATOM 0 H GLN A 40 -3.477 -9.207 -1.383 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.918 -8.832 -3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.444 -7.515 -2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.682 -7.059 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.634 -9.898 -3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.569 -8.741 -4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.450 -11.321 -4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.803 -10.924 -6.474 1.00 0.00 H new ATOM 650 N SER A 41 -1.156 -7.322 -1.258 1.00 0.00 N ATOM 651 CA SER A 41 -0.343 -6.261 -0.665 1.00 0.00 C ATOM 652 C SER A 41 0.793 -5.947 -1.620 1.00 0.00 C ATOM 653 O SER A 41 1.211 -4.806 -1.744 1.00 0.00 O ATOM 654 CB SER A 41 0.237 -6.722 0.682 1.00 0.00 C ATOM 655 OG SER A 41 1.214 -7.722 0.429 1.00 0.00 O ATOM 0 H SER A 41 -1.287 -8.140 -0.662 1.00 0.00 H new ATOM 0 HA SER A 41 -0.958 -5.378 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.684 -5.880 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.553 -7.116 1.321 1.00 0.00 H new ATOM 0 HG SER A 41 0.777 -8.597 0.361 1.00 0.00 H new ATOM 661 N ALA A 42 1.257 -7.000 -2.295 1.00 0.00 N ATOM 662 CA ALA A 42 2.334 -6.908 -3.268 1.00 0.00 C ATOM 663 C ALA A 42 1.884 -6.177 -4.535 1.00 0.00 C ATOM 664 O ALA A 42 2.643 -5.427 -5.146 1.00 0.00 O ATOM 665 CB ALA A 42 2.785 -8.314 -3.641 1.00 0.00 C ATOM 0 H ALA A 42 0.890 -7.944 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 42 3.152 -6.344 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.593 -8.255 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.138 -8.831 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.947 -8.863 -4.071 1.00 0.00 H new ATOM 671 N ASN A 43 0.642 -6.415 -4.920 1.00 0.00 N ATOM 672 CA ASN A 43 0.057 -5.791 -6.091 1.00 0.00 C ATOM 673 C ASN A 43 -0.234 -4.341 -5.821 1.00 0.00 C ATOM 674 O ASN A 43 -0.242 -3.501 -6.710 1.00 0.00 O ATOM 675 CB ASN A 43 -1.270 -6.450 -6.347 1.00 0.00 C ATOM 676 CG ASN A 43 -1.791 -6.148 -7.750 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.031 -5.765 -8.642 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.059 -6.301 -7.996 1.00 0.00 N ATOM 0 H ASN A 43 0.011 -7.047 -4.428 1.00 0.00 H new ATOM 0 HA ASN A 43 0.747 -5.889 -6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.171 -7.528 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.995 -6.107 -5.608 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.425 -6.104 -8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.687 -6.618 -7.258 1.00 0.00 H new ATOM 685 N LEU A 44 -0.588 -4.106 -4.580 1.00 0.00 N ATOM 686 CA LEU A 44 -1.009 -2.803 -4.145 1.00 0.00 C ATOM 687 C LEU A 44 0.089 -1.785 -4.211 1.00 0.00 C ATOM 688 O LEU A 44 -0.151 -0.693 -4.696 1.00 0.00 O ATOM 689 CB LEU A 44 -1.627 -2.935 -2.774 1.00 0.00 C ATOM 690 CG LEU A 44 -2.951 -3.683 -2.969 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.449 -4.291 -1.661 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.979 -2.714 -3.535 1.00 0.00 C ATOM 0 H LEU A 44 -0.591 -4.815 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.763 -2.418 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.967 -3.482 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.796 -1.955 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.794 -4.508 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.389 -4.813 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.708 -4.995 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.606 -3.499 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.927 -3.232 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.120 -1.886 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.627 -2.328 -4.492 1.00 0.00 H new ATOM 704 N LEU A 45 1.307 -2.133 -3.817 1.00 0.00 N ATOM 705 CA LEU A 45 2.381 -1.152 -3.992 1.00 0.00 C ATOM 706 C LEU A 45 2.590 -1.049 -5.479 1.00 0.00 C ATOM 707 O LEU A 45 2.949 -0.021 -5.989 1.00 0.00 O ATOM 708 CB LEU A 45 3.764 -1.397 -3.328 1.00 0.00 C ATOM 709 CG LEU A 45 3.818 -2.592 -2.400 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.745 -2.491 -1.321 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.683 -3.848 -3.241 1.00 0.00 C ATOM 0 H LEU A 45 1.572 -3.025 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 45 2.033 -0.259 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.510 -1.529 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.045 -0.506 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 45 4.771 -2.624 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.804 -3.361 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.902 -1.585 -0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.761 -2.455 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.719 -4.725 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.732 -3.829 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.501 -3.894 -3.960 1.00 0.00 H new ATOM 723 N ALA A 46 2.348 -2.163 -6.166 1.00 0.00 N ATOM 724 CA ALA A 46 2.495 -2.202 -7.613 1.00 0.00 C ATOM 725 C ALA A 46 1.542 -1.184 -8.209 1.00 0.00 C ATOM 726 O ALA A 46 1.899 -0.397 -9.077 1.00 0.00 O ATOM 727 CB ALA A 46 2.127 -3.590 -8.133 1.00 0.00 C ATOM 0 H ALA A 46 2.051 -3.043 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 46 3.525 -1.978 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.239 -3.614 -9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.786 -4.333 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.093 -3.815 -7.870 1.00 0.00 H new ATOM 733 N GLU A 47 0.333 -1.201 -7.666 1.00 0.00 N ATOM 734 CA GLU A 47 -0.716 -0.294 -8.043 1.00 0.00 C ATOM 735 C GLU A 47 -0.348 1.100 -7.592 1.00 0.00 C ATOM 736 O GLU A 47 -0.423 2.060 -8.336 1.00 0.00 O ATOM 737 CB GLU A 47 -1.971 -0.730 -7.292 1.00 0.00 C ATOM 738 CG GLU A 47 -2.807 -1.682 -8.145 1.00 0.00 C ATOM 739 CD GLU A 47 -3.689 -2.547 -7.244 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.210 -3.574 -6.786 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.826 -2.167 -7.017 1.00 0.00 O ATOM 0 H GLU A 47 0.059 -1.862 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.871 -0.300 -9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.691 -1.220 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.564 0.145 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.427 -1.114 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.154 -2.315 -8.746 1.00 0.00 H new ATOM 748 N ALA A 48 0.051 1.162 -6.342 1.00 0.00 N ATOM 749 CA ALA A 48 0.436 2.402 -5.700 1.00 0.00 C ATOM 750 C ALA A 48 1.608 3.038 -6.411 1.00 0.00 C ATOM 751 O ALA A 48 1.576 4.218 -6.725 1.00 0.00 O ATOM 752 CB ALA A 48 0.806 2.113 -4.262 1.00 0.00 C ATOM 0 H ALA A 48 0.119 0.345 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.402 3.098 -5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.098 3.040 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.051 1.681 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.638 1.410 -4.235 1.00 0.00 H new ATOM 758 N LYS A 49 2.619 2.234 -6.691 1.00 0.00 N ATOM 759 CA LYS A 49 3.786 2.708 -7.414 1.00 0.00 C ATOM 760 C LYS A 49 3.323 3.189 -8.781 1.00 0.00 C ATOM 761 O LYS A 49 3.819 4.192 -9.302 1.00 0.00 O ATOM 762 CB LYS A 49 4.831 1.588 -7.549 1.00 0.00 C ATOM 763 CG LYS A 49 5.504 1.342 -6.185 1.00 0.00 C ATOM 764 CD LYS A 49 6.424 0.114 -6.264 1.00 0.00 C ATOM 765 CE LYS A 49 6.940 -0.241 -4.861 1.00 0.00 C ATOM 766 NZ LYS A 49 7.762 -1.481 -4.930 1.00 0.00 N ATOM 0 H LYS A 49 2.655 1.249 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 49 4.261 3.526 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.355 0.673 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.580 1.863 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.080 2.219 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.744 1.188 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.881 -0.732 -6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.263 0.319 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.536 0.581 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.101 -0.386 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.648 -2.022 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.450 -2.060 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.763 -1.227 -5.053 1.00 0.00 H new ATOM 780 N LYS A 50 2.317 2.491 -9.333 1.00 0.00 N ATOM 781 CA LYS A 50 1.742 2.884 -10.606 1.00 0.00 C ATOM 782 C LYS A 50 0.960 4.180 -10.429 1.00 0.00 C ATOM 783 O LYS A 50 1.024 5.055 -11.276 1.00 0.00 O ATOM 784 CB LYS A 50 0.845 1.767 -11.157 1.00 0.00 C ATOM 785 CG LYS A 50 1.718 0.684 -11.805 1.00 0.00 C ATOM 786 CD LYS A 50 0.848 -0.511 -12.211 1.00 0.00 C ATOM 787 CE LYS A 50 1.742 -1.698 -12.579 1.00 0.00 C ATOM 788 NZ LYS A 50 2.408 -1.435 -13.887 1.00 0.00 N ATOM 0 H LYS A 50 1.896 1.662 -8.914 1.00 0.00 H new ATOM 0 HA LYS A 50 2.541 3.053 -11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.248 1.336 -10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.148 2.174 -11.889 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.226 1.089 -12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.491 0.362 -11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.183 -0.784 -11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.217 -0.242 -13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.491 -1.856 -11.803 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.147 -2.610 -12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.002 -2.249 -14.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.686 -1.288 -14.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.002 -0.585 -13.810 1.00 0.00 H new ATOM 802 N LEU A 51 0.244 4.294 -9.301 1.00 0.00 N ATOM 803 CA LEU A 51 -0.535 5.495 -8.988 1.00 0.00 C ATOM 804 C LEU A 51 0.376 6.651 -8.677 1.00 0.00 C ATOM 805 O LEU A 51 0.101 7.789 -9.030 1.00 0.00 O ATOM 806 CB LEU A 51 -1.425 5.261 -7.777 1.00 0.00 C ATOM 807 CG LEU A 51 -2.817 4.835 -8.216 1.00 0.00 C ATOM 808 CD1 LEU A 51 -2.747 3.443 -8.853 1.00 0.00 C ATOM 809 CD2 LEU A 51 -3.744 4.848 -6.997 1.00 0.00 C ATOM 0 H LEU A 51 0.190 3.565 -8.590 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.146 5.722 -9.862 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.987 4.493 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.487 6.172 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.213 5.525 -8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.744 3.136 -9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.086 3.472 -9.719 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.361 2.729 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.746 4.544 -7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.366 4.156 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.780 5.854 -6.578 1.00 0.00 H new ATOM 821 N ASN A 52 1.464 6.337 -8.003 1.00 0.00 N ATOM 822 CA ASN A 52 2.434 7.336 -7.629 1.00 0.00 C ATOM 823 C ASN A 52 2.910 8.001 -8.906 1.00 0.00 C ATOM 824 O ASN A 52 2.920 9.228 -9.029 1.00 0.00 O ATOM 825 CB ASN A 52 3.582 6.626 -6.899 1.00 0.00 C ATOM 826 CG ASN A 52 4.612 7.614 -6.367 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.466 8.130 -5.260 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.656 7.902 -7.091 1.00 0.00 N ATOM 0 H ASN A 52 1.696 5.390 -7.703 1.00 0.00 H new ATOM 0 HA ASN A 52 2.021 8.096 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.180 6.040 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.067 5.926 -7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.355 8.557 -6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.774 7.473 -8.009 1.00 0.00 H new ATOM 835 N ASP A 53 3.243 7.155 -9.870 1.00 0.00 N ATOM 836 CA ASP A 53 3.661 7.602 -11.175 1.00 0.00 C ATOM 837 C ASP A 53 2.485 8.151 -12.003 1.00 0.00 C ATOM 838 O ASP A 53 2.636 9.123 -12.747 1.00 0.00 O ATOM 839 CB ASP A 53 4.321 6.439 -11.925 1.00 0.00 C ATOM 840 CG ASP A 53 4.907 6.927 -13.250 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.022 7.424 -13.235 1.00 0.00 O ATOM 842 OD2 ASP A 53 4.230 6.801 -14.257 1.00 0.00 O ATOM 0 H ASP A 53 3.228 6.141 -9.762 1.00 0.00 H new ATOM 0 HA ASP A 53 4.373 8.415 -11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.108 6.001 -11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.588 5.654 -12.111 1.00 0.00 H new ATOM 847 N ALA A 54 1.339 7.460 -11.918 1.00 0.00 N ATOM 848 CA ALA A 54 0.147 7.803 -12.714 1.00 0.00 C ATOM 849 C ALA A 54 -0.584 9.056 -12.260 1.00 0.00 C ATOM 850 O ALA A 54 -1.067 9.831 -13.087 1.00 0.00 O ATOM 851 CB ALA A 54 -0.852 6.659 -12.604 1.00 0.00 C ATOM 0 H ALA A 54 1.210 6.656 -11.303 1.00 0.00 H new ATOM 0 HA ALA A 54 0.511 7.980 -13.726 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.742 6.896 -13.188 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.400 5.744 -12.986 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.130 6.518 -11.560 1.00 0.00 H new ATOM 857 N GLN A 55 -0.695 9.229 -10.956 1.00 0.00 N ATOM 858 CA GLN A 55 -1.408 10.366 -10.411 1.00 0.00 C ATOM 859 C GLN A 55 -0.532 11.575 -10.379 1.00 0.00 C ATOM 860 O GLN A 55 -0.943 12.671 -10.768 1.00 0.00 O ATOM 861 CB GLN A 55 -1.824 10.085 -8.974 1.00 0.00 C ATOM 862 CG GLN A 55 -2.893 8.997 -8.906 1.00 0.00 C ATOM 863 CD GLN A 55 -3.287 8.773 -7.449 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.115 7.915 -7.155 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.752 9.516 -6.512 1.00 0.00 N ATOM 0 H GLN A 55 -0.302 8.598 -10.258 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.277 10.538 -11.046 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.953 9.778 -8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.204 10.999 -8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.765 9.290 -9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.515 8.071 -9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.064 10.229 -6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.023 9.382 -5.538 1.00 0.00 H new ATOM 874 N ALA A 56 0.664 11.359 -9.842 1.00 0.00 N ATOM 875 CA ALA A 56 1.620 12.440 -9.656 1.00 0.00 C ATOM 876 C ALA A 56 0.865 13.668 -9.116 1.00 0.00 C ATOM 877 O ALA A 56 0.764 14.697 -9.789 1.00 0.00 O ATOM 878 CB ALA A 56 2.330 12.747 -10.974 1.00 0.00 C ATOM 0 H ALA A 56 0.993 10.446 -9.529 1.00 0.00 H new ATOM 0 HA ALA A 56 2.387 12.153 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.043 13.557 -10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.859 11.858 -11.318 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.595 13.045 -11.722 1.00 0.00 H new ATOM 884 N PRO A 57 0.285 13.547 -7.927 1.00 0.00 N ATOM 885 CA PRO A 57 -0.535 14.619 -7.293 1.00 0.00 C ATOM 886 C PRO A 57 0.316 15.780 -6.766 1.00 0.00 C ATOM 887 O PRO A 57 0.092 16.282 -5.661 1.00 0.00 O ATOM 888 CB PRO A 57 -1.305 13.906 -6.160 1.00 0.00 C ATOM 889 CG PRO A 57 -0.916 12.467 -6.222 1.00 0.00 C ATOM 890 CD PRO A 57 0.364 12.386 -7.047 1.00 0.00 C ATOM 0 HA PRO A 57 -1.205 15.087 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.052 14.334 -5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.381 14.023 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.755 12.068 -5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.707 11.873 -6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.251 12.423 -6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.416 11.457 -7.614 1.00 0.00 H new ATOM 898 N LYS A 58 1.286 16.197 -7.583 1.00 0.00 N ATOM 899 CA LYS A 58 2.193 17.299 -7.240 1.00 0.00 C ATOM 900 C LYS A 58 3.006 16.961 -5.980 1.00 0.00 C ATOM 901 O LYS A 58 4.045 16.338 -6.128 1.00 0.00 O ATOM 902 CB LYS A 58 1.399 18.606 -7.050 1.00 0.00 C ATOM 903 CG LYS A 58 0.647 18.949 -8.343 1.00 0.00 C ATOM 904 CD LYS A 58 -0.363 20.074 -8.072 1.00 0.00 C ATOM 905 CE LYS A 58 -1.757 19.477 -7.835 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.746 18.662 -6.585 1.00 0.00 N ATOM 907 OXT LYS A 58 2.581 17.318 -4.890 1.00 0.00 O ATOM 0 H LYS A 58 1.466 15.783 -8.498 1.00 0.00 H new ATOM 0 HA LYS A 58 2.894 17.441 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.694 18.498 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.076 19.418 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.352 19.259 -9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.130 18.066 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.052 20.652 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.391 20.761 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.496 20.274 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.047 18.857 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.724 18.456 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.241 17.769 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.266 19.192 -5.830 1.00 0.00 H new TER 921 LYS A 58