USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 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 1 MET CE :methyl -173:sc= -4.88! (180deg=-5.48!) USER MOD Set 1.2: A 27 ASN : amide:sc= -2.43 X(o=-7.3,f=-7.8!) USER MOD Single : A 1 MET N :NH3+ -107:sc= -4.61! (180deg=-7.9!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0.622! (180deg=0.622!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -154:sc= -0.206 (180deg=-1.73!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -122:sc= 0.735 (180deg=-2.67!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.725 F(o=-1.6,f=-0.73) USER MOD Single : A 25 TYR OH : rot 32:sc= -3.48! USER MOD Single : A 28 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.015) USER MOD Single : A 40 THR OG1 : rot 119:sc= -3.79! USER MOD Single : A 43 ASN :FLIP amide:sc= -1.51 F(o=-2.4!,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.12) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.0376 X(o=0.038,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.991 8.223 -2.984 1.00 0.00 N ATOM 2 CA MET A 1 -7.794 7.586 -2.371 1.00 0.00 C ATOM 3 C MET A 1 -7.046 6.749 -3.407 1.00 0.00 C ATOM 4 O MET A 1 -7.440 5.640 -3.713 1.00 0.00 O ATOM 5 CB MET A 1 -8.332 6.676 -1.262 1.00 0.00 C ATOM 6 CG MET A 1 -7.191 6.362 -0.302 1.00 0.00 C ATOM 7 SD MET A 1 -7.620 6.933 1.356 1.00 0.00 S ATOM 8 CE MET A 1 -7.455 5.325 2.160 1.00 0.00 C ATOM 0 H1 MET A 1 -8.818 9.241 -3.107 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.179 7.789 -3.910 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.814 8.084 -2.364 1.00 0.00 H new ATOM 0 HA MET A 1 -7.098 8.332 -1.988 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.149 7.166 -0.733 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.734 5.756 -1.687 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.998 5.289 -0.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.275 6.847 -0.639 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.796 5.398 3.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.059 4.589 1.629 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.410 5.016 2.144 1.00 0.00 H new ATOM 20 N LYS A 2 -5.959 7.241 -3.937 1.00 0.00 N ATOM 21 CA LYS A 2 -5.213 6.421 -4.926 1.00 0.00 C ATOM 22 C LYS A 2 -4.804 5.128 -4.231 1.00 0.00 C ATOM 23 O LYS A 2 -4.664 5.098 -3.026 1.00 0.00 O ATOM 24 CB LYS A 2 -3.997 7.249 -5.336 1.00 0.00 C ATOM 25 CG LYS A 2 -4.330 8.055 -6.585 1.00 0.00 C ATOM 26 CD LYS A 2 -3.325 9.198 -6.738 1.00 0.00 C ATOM 27 CE LYS A 2 -3.915 10.279 -7.647 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.756 11.132 -8.033 1.00 0.00 N ATOM 0 H LYS A 2 -5.563 8.158 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.796 6.166 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.708 7.918 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.146 6.595 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.301 7.411 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.342 8.454 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.086 9.620 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.393 8.823 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.392 9.841 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.677 10.860 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.081 11.897 -8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.326 11.541 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.050 10.554 -8.532 1.00 0.00 H new ATOM 42 N VAL A 3 -4.690 4.037 -4.933 1.00 0.00 N ATOM 43 CA VAL A 3 -4.393 2.787 -4.229 1.00 0.00 C ATOM 44 C VAL A 3 -3.227 1.993 -4.804 1.00 0.00 C ATOM 45 O VAL A 3 -3.146 1.713 -5.984 1.00 0.00 O ATOM 46 CB VAL A 3 -5.711 2.063 -4.380 1.00 0.00 C ATOM 47 CG1 VAL A 3 -5.510 0.559 -4.303 1.00 0.00 C ATOM 48 CG2 VAL A 3 -6.608 2.554 -3.267 1.00 0.00 C ATOM 0 H VAL A 3 -4.790 3.968 -5.946 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.061 2.945 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.161 2.267 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.471 0.057 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.840 0.240 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.074 0.299 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.576 2.058 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.150 2.328 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.746 3.631 -3.359 1.00 0.00 H new ATOM 58 N ILE A 4 -2.352 1.587 -3.925 1.00 0.00 N ATOM 59 CA ILE A 4 -1.202 0.769 -4.299 1.00 0.00 C ATOM 60 C ILE A 4 -1.531 -0.694 -3.967 1.00 0.00 C ATOM 61 O ILE A 4 -1.394 -1.122 -2.843 1.00 0.00 O ATOM 62 CB ILE A 4 -0.077 1.298 -3.398 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.709 2.385 -4.160 1.00 0.00 C ATOM 64 CG2 ILE A 4 0.827 0.143 -2.970 1.00 0.00 C ATOM 65 CD1 ILE A 4 2.216 2.086 -4.192 1.00 0.00 C ATOM 0 H ILE A 4 -2.404 1.806 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.934 0.817 -5.354 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.493 1.745 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.332 2.458 -5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.541 3.353 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.624 0.522 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.241 -0.594 -2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.262 -0.325 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.732 2.876 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.599 2.039 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.387 1.131 -4.688 1.00 0.00 H new ATOM 77 N PHE A 5 -1.948 -1.476 -4.915 1.00 0.00 N ATOM 78 CA PHE A 5 -2.224 -2.899 -4.571 1.00 0.00 C ATOM 79 C PHE A 5 -0.888 -3.613 -4.433 1.00 0.00 C ATOM 80 O PHE A 5 -0.093 -3.599 -5.339 1.00 0.00 O ATOM 81 CB PHE A 5 -2.919 -3.530 -5.756 1.00 0.00 C ATOM 82 CG PHE A 5 -4.431 -3.437 -5.710 1.00 0.00 C ATOM 83 CD1 PHE A 5 -5.134 -4.082 -4.691 1.00 0.00 C ATOM 84 CD2 PHE A 5 -5.137 -2.811 -6.749 1.00 0.00 C ATOM 85 CE1 PHE A 5 -6.520 -4.100 -4.701 1.00 0.00 C ATOM 86 CE2 PHE A 5 -6.537 -2.840 -6.762 1.00 0.00 C ATOM 87 CZ PHE A 5 -7.227 -3.487 -5.738 1.00 0.00 C ATOM 0 H PHE A 5 -2.107 -1.207 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.819 -2.966 -3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.564 -3.051 -6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.632 -4.580 -5.815 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.596 -4.569 -3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.600 -2.307 -7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.056 -4.591 -3.902 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.081 -2.362 -7.563 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.307 -3.514 -5.746 1.00 0.00 H new ATOM 97 N LEU A 6 -0.622 -4.230 -3.337 1.00 0.00 N ATOM 98 CA LEU A 6 0.675 -4.931 -3.190 1.00 0.00 C ATOM 99 C LEU A 6 0.649 -6.336 -3.816 1.00 0.00 C ATOM 100 O LEU A 6 1.679 -6.859 -4.187 1.00 0.00 O ATOM 101 CB LEU A 6 0.861 -5.081 -1.676 1.00 0.00 C ATOM 102 CG LEU A 6 0.694 -3.740 -0.951 1.00 0.00 C ATOM 103 CD1 LEU A 6 1.065 -2.573 -1.863 1.00 0.00 C ATOM 104 CD2 LEU A 6 -0.743 -3.576 -0.441 1.00 0.00 C ATOM 0 H LEU A 6 -1.243 -4.284 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 6 1.471 -4.376 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.136 -5.797 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.851 -5.486 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 6 1.371 -3.736 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.937 -1.635 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.104 -2.673 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.419 -2.578 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.841 -2.618 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.434 -3.610 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.977 -4.383 0.253 1.00 0.00 H new ATOM 116 N LYS A 7 -0.506 -6.962 -3.885 1.00 0.00 N ATOM 117 CA LYS A 7 -0.573 -8.386 -4.409 1.00 0.00 C ATOM 118 C LYS A 7 -0.926 -8.485 -5.906 1.00 0.00 C ATOM 119 O LYS A 7 -0.640 -7.593 -6.671 1.00 0.00 O ATOM 120 CB LYS A 7 -1.671 -9.023 -3.550 1.00 0.00 C ATOM 121 CG LYS A 7 -1.057 -9.553 -2.253 1.00 0.00 C ATOM 122 CD LYS A 7 -1.489 -8.670 -1.080 1.00 0.00 C ATOM 123 CE LYS A 7 -2.520 -9.417 -0.230 1.00 0.00 C ATOM 124 NZ LYS A 7 -2.041 -9.275 1.173 1.00 0.00 N ATOM 0 H LYS A 7 -1.401 -6.561 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 7 0.397 -8.879 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.445 -8.289 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.151 -9.835 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.375 -10.582 -2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.030 -9.564 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.624 -8.406 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.915 -7.738 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.515 -8.990 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.585 -10.466 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.698 -9.762 1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.094 -9.696 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.996 -8.267 1.424 1.00 0.00 H new ATOM 138 N ASP A 8 -1.541 -9.590 -6.325 1.00 0.00 N ATOM 139 CA ASP A 8 -1.931 -9.774 -7.770 1.00 0.00 C ATOM 140 C ASP A 8 -3.420 -9.435 -7.948 1.00 0.00 C ATOM 141 O ASP A 8 -4.246 -9.784 -7.129 1.00 0.00 O ATOM 142 CB ASP A 8 -1.687 -11.248 -8.063 1.00 0.00 C ATOM 143 CG ASP A 8 -2.466 -12.102 -7.061 1.00 0.00 C ATOM 144 OD1 ASP A 8 -2.995 -11.537 -6.116 1.00 0.00 O ATOM 145 OD2 ASP A 8 -2.518 -13.306 -7.251 1.00 0.00 O ATOM 0 H ASP A 8 -1.787 -10.372 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.364 -9.128 -8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.000 -11.485 -9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.622 -11.472 -7.997 1.00 0.00 H new ATOM 150 N VAL A 9 -3.746 -8.669 -8.957 1.00 0.00 N ATOM 151 CA VAL A 9 -5.140 -8.200 -9.132 1.00 0.00 C ATOM 152 C VAL A 9 -6.024 -9.136 -9.923 1.00 0.00 C ATOM 153 O VAL A 9 -7.180 -8.840 -10.133 1.00 0.00 O ATOM 154 CB VAL A 9 -4.951 -6.878 -9.833 1.00 0.00 C ATOM 155 CG1 VAL A 9 -5.312 -7.003 -11.320 1.00 0.00 C ATOM 156 CG2 VAL A 9 -5.819 -5.837 -9.147 1.00 0.00 C ATOM 0 H VAL A 9 -3.093 -8.348 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.667 -8.135 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.906 -6.572 -9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.170 -6.040 -11.811 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.669 -7.748 -11.789 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.353 -7.310 -11.417 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.693 -4.874 -9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.864 -6.140 -9.203 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.523 -5.748 -8.102 1.00 0.00 H new ATOM 166 N LYS A 10 -5.535 -10.254 -10.327 1.00 0.00 N ATOM 167 CA LYS A 10 -6.434 -11.195 -11.034 1.00 0.00 C ATOM 168 C LYS A 10 -7.486 -11.610 -9.996 1.00 0.00 C ATOM 169 O LYS A 10 -7.483 -12.712 -9.488 1.00 0.00 O ATOM 170 CB LYS A 10 -5.557 -12.375 -11.465 1.00 0.00 C ATOM 171 CG LYS A 10 -5.859 -12.724 -12.927 1.00 0.00 C ATOM 172 CD LYS A 10 -5.653 -14.225 -13.160 1.00 0.00 C ATOM 173 CE LYS A 10 -4.170 -14.577 -12.990 1.00 0.00 C ATOM 174 NZ LYS A 10 -3.857 -15.549 -14.083 1.00 0.00 N ATOM 0 H LYS A 10 -4.570 -10.561 -10.205 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.932 -10.787 -11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.503 -12.121 -11.350 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.748 -13.237 -10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.884 -12.447 -13.171 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.208 -12.152 -13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.256 -14.798 -12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.989 -14.497 -14.161 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.545 -13.687 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.981 -15.016 -12.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.857 -15.829 -14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.459 -16.391 -13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.036 -15.104 -15.006 1.00 0.00 H new ATOM 188 N GLY A 11 -8.348 -10.686 -9.643 1.00 0.00 N ATOM 189 CA GLY A 11 -9.374 -10.939 -8.599 1.00 0.00 C ATOM 190 C GLY A 11 -8.941 -10.293 -7.259 1.00 0.00 C ATOM 191 O GLY A 11 -9.561 -10.519 -6.238 1.00 0.00 O ATOM 0 H GLY A 11 -8.378 -9.750 -10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.334 -10.531 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.512 -12.012 -8.466 1.00 0.00 H new ATOM 195 N LYS A 12 -7.889 -9.487 -7.242 1.00 0.00 N ATOM 196 CA LYS A 12 -7.465 -8.850 -5.939 1.00 0.00 C ATOM 197 C LYS A 12 -6.758 -7.471 -6.122 1.00 0.00 C ATOM 198 O LYS A 12 -7.392 -6.435 -6.064 1.00 0.00 O ATOM 199 CB LYS A 12 -6.519 -9.863 -5.293 1.00 0.00 C ATOM 200 CG LYS A 12 -7.326 -10.821 -4.404 1.00 0.00 C ATOM 201 CD LYS A 12 -6.587 -11.045 -3.080 1.00 0.00 C ATOM 202 CE LYS A 12 -7.368 -12.037 -2.208 1.00 0.00 C ATOM 203 NZ LYS A 12 -8.771 -11.538 -2.207 1.00 0.00 N ATOM 0 H LYS A 12 -7.319 -9.248 -8.054 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.338 -8.629 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.988 -10.424 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.766 -9.346 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.316 -10.408 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.471 -11.772 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.585 -11.428 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.471 -10.098 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.310 -13.047 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.963 -12.075 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.251 -11.854 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.770 -10.499 -2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.273 -11.912 -3.037 1.00 0.00 H new ATOM 217 N GLY A 13 -5.451 -7.458 -6.327 1.00 0.00 N ATOM 218 CA GLY A 13 -4.692 -6.169 -6.496 1.00 0.00 C ATOM 219 C GLY A 13 -3.424 -6.461 -7.270 1.00 0.00 C ATOM 220 O GLY A 13 -2.842 -7.474 -7.089 1.00 0.00 O ATOM 0 H GLY A 13 -4.875 -8.298 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.301 -5.437 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.453 -5.739 -5.523 1.00 0.00 H new ATOM 224 N LYS A 14 -2.967 -5.592 -8.107 1.00 0.00 N ATOM 225 CA LYS A 14 -1.722 -5.913 -8.862 1.00 0.00 C ATOM 226 C LYS A 14 -0.489 -5.474 -8.091 1.00 0.00 C ATOM 227 O LYS A 14 -0.502 -4.483 -7.396 1.00 0.00 O ATOM 228 CB LYS A 14 -1.833 -5.144 -10.174 1.00 0.00 C ATOM 229 CG LYS A 14 -2.081 -6.127 -11.316 1.00 0.00 C ATOM 230 CD LYS A 14 -1.359 -5.650 -12.579 1.00 0.00 C ATOM 231 CE LYS A 14 -2.326 -4.825 -13.432 1.00 0.00 C ATOM 232 NZ LYS A 14 -1.631 -4.627 -14.735 1.00 0.00 N ATOM 0 H LYS A 14 -3.386 -4.684 -8.306 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.620 -6.986 -9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.647 -4.422 -10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.918 -4.580 -10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.727 -7.119 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.151 -6.213 -11.508 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.490 -5.050 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.993 -6.505 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.274 -5.346 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.552 -3.870 -12.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.236 -4.069 -15.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.736 -4.122 -14.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.435 -5.552 -15.168 1.00 0.00 H new ATOM 246 N LYS A 15 0.571 -6.232 -8.221 1.00 0.00 N ATOM 247 CA LYS A 15 1.846 -5.915 -7.516 1.00 0.00 C ATOM 248 C LYS A 15 1.982 -4.406 -7.286 1.00 0.00 C ATOM 249 O LYS A 15 1.957 -3.628 -8.215 1.00 0.00 O ATOM 250 CB LYS A 15 2.926 -6.429 -8.467 1.00 0.00 C ATOM 251 CG LYS A 15 3.178 -5.401 -9.576 1.00 0.00 C ATOM 252 CD LYS A 15 1.874 -5.097 -10.343 1.00 0.00 C ATOM 253 CE LYS A 15 2.124 -3.956 -11.333 1.00 0.00 C ATOM 254 NZ LYS A 15 2.058 -2.719 -10.507 1.00 0.00 N ATOM 0 H LYS A 15 0.604 -7.073 -8.798 1.00 0.00 H new ATOM 0 HA LYS A 15 1.908 -6.371 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.848 -6.616 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.617 -7.379 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.575 -4.482 -9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.932 -5.780 -10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.535 -5.987 -10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.084 -4.822 -9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.095 -4.058 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.373 -3.945 -12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.319 -2.090 -10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.832 -2.970 -9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.976 -2.231 -10.538 1.00 0.00 H new ATOM 268 N GLY A 16 2.106 -4.012 -6.046 1.00 0.00 N ATOM 269 CA GLY A 16 2.219 -2.547 -5.689 1.00 0.00 C ATOM 270 C GLY A 16 1.673 -1.649 -6.816 1.00 0.00 C ATOM 271 O GLY A 16 2.301 -0.681 -7.194 1.00 0.00 O ATOM 0 H GLY A 16 2.135 -4.645 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.669 -2.352 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.262 -2.297 -5.496 1.00 0.00 H new ATOM 275 N GLU A 17 0.518 -1.953 -7.362 1.00 0.00 N ATOM 276 CA GLU A 17 -0.020 -1.092 -8.460 1.00 0.00 C ATOM 277 C GLU A 17 -0.667 0.152 -7.865 1.00 0.00 C ATOM 278 O GLU A 17 -1.571 0.069 -7.063 1.00 0.00 O ATOM 279 CB GLU A 17 -1.030 -1.963 -9.225 1.00 0.00 C ATOM 280 CG GLU A 17 -2.480 -1.529 -8.947 1.00 0.00 C ATOM 281 CD GLU A 17 -3.423 -2.307 -9.868 1.00 0.00 C ATOM 282 OE1 GLU A 17 -3.421 -2.030 -11.056 1.00 0.00 O ATOM 283 OE2 GLU A 17 -4.129 -3.170 -9.371 1.00 0.00 O ATOM 0 H GLU A 17 -0.066 -2.747 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 17 0.759 -0.741 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.829 -1.899 -10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.901 -3.007 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.735 -1.716 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.590 -0.458 -9.115 1.00 0.00 H new ATOM 290 N ILE A 18 -0.199 1.299 -8.246 1.00 0.00 N ATOM 291 CA ILE A 18 -0.767 2.556 -7.679 1.00 0.00 C ATOM 292 C ILE A 18 -1.676 3.259 -8.673 1.00 0.00 C ATOM 293 O ILE A 18 -1.284 3.643 -9.758 1.00 0.00 O ATOM 294 CB ILE A 18 0.421 3.473 -7.396 1.00 0.00 C ATOM 295 CG1 ILE A 18 1.669 2.656 -7.042 1.00 0.00 C ATOM 296 CG2 ILE A 18 0.060 4.412 -6.246 1.00 0.00 C ATOM 297 CD1 ILE A 18 2.582 2.570 -8.267 1.00 0.00 C ATOM 0 H ILE A 18 0.552 1.427 -8.925 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.354 2.325 -6.790 1.00 0.00 H new ATOM 0 HB ILE A 18 0.645 4.054 -8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.199 3.122 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.383 1.656 -6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.902 5.071 -6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.808 5.010 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.172 3.826 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.471 1.990 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.049 2.085 -9.085 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.878 3.574 -8.571 1.00 0.00 H new ATOM 309 N LYS A 19 -2.872 3.470 -8.262 1.00 0.00 N ATOM 310 CA LYS A 19 -3.865 4.198 -9.083 1.00 0.00 C ATOM 311 C LYS A 19 -4.940 4.637 -8.111 1.00 0.00 C ATOM 312 O LYS A 19 -4.641 5.180 -7.073 1.00 0.00 O ATOM 313 CB LYS A 19 -4.395 3.187 -10.099 1.00 0.00 C ATOM 314 CG LYS A 19 -5.102 3.935 -11.231 1.00 0.00 C ATOM 315 CD LYS A 19 -4.073 4.345 -12.287 1.00 0.00 C ATOM 316 CE LYS A 19 -4.215 5.838 -12.593 1.00 0.00 C ATOM 317 NZ LYS A 19 -2.826 6.380 -12.509 1.00 0.00 N ATOM 0 H LYS A 19 -3.224 3.159 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.478 5.066 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.575 2.590 -10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.086 2.496 -9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.867 3.301 -11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.609 4.817 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.066 4.131 -11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.219 3.762 -13.196 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.643 6.000 -13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.874 6.327 -11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.839 7.401 -12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.447 6.217 -11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.223 5.900 -13.207 1.00 0.00 H new ATOM 331 N ASN A 20 -6.170 4.350 -8.382 1.00 0.00 N ATOM 332 CA ASN A 20 -7.226 4.679 -7.399 1.00 0.00 C ATOM 333 C ASN A 20 -8.362 3.715 -7.567 1.00 0.00 C ATOM 334 O ASN A 20 -8.996 3.631 -8.599 1.00 0.00 O ATOM 335 CB ASN A 20 -7.689 6.114 -7.639 1.00 0.00 C ATOM 336 CG ASN A 20 -8.287 6.228 -9.044 1.00 0.00 C ATOM 337 OD1 ASN A 20 -7.489 6.296 -10.074 1.00 0.00 O flip ATOM 338 ND2 ASN A 20 -9.491 6.252 -9.206 1.00 0.00 N flip ATOM 0 H ASN A 20 -6.493 3.902 -9.240 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.847 4.598 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.430 6.398 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.850 6.801 -7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.115 6.199 -8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.878 6.325 -10.147 1.00 0.00 H new ATOM 345 N VAL A 21 -8.645 3.020 -6.534 1.00 0.00 N ATOM 346 CA VAL A 21 -9.763 2.084 -6.568 1.00 0.00 C ATOM 347 C VAL A 21 -10.947 2.919 -6.173 1.00 0.00 C ATOM 348 O VAL A 21 -10.935 4.121 -6.358 1.00 0.00 O ATOM 349 CB VAL A 21 -9.400 1.067 -5.484 1.00 0.00 C ATOM 350 CG1 VAL A 21 -9.778 1.589 -4.097 1.00 0.00 C ATOM 351 CG2 VAL A 21 -10.072 -0.259 -5.754 1.00 0.00 C ATOM 0 H VAL A 21 -8.140 3.061 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.967 1.578 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.320 0.918 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.510 0.848 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.242 2.518 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.851 1.774 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.802 -0.969 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.154 -0.124 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.746 -0.642 -6.721 1.00 0.00 H new ATOM 361 N ALA A 22 -11.912 2.370 -5.550 1.00 0.00 N ATOM 362 CA ALA A 22 -12.978 3.279 -5.090 1.00 0.00 C ATOM 363 C ALA A 22 -12.316 4.057 -3.973 1.00 0.00 C ATOM 364 O ALA A 22 -11.970 3.497 -2.954 1.00 0.00 O ATOM 365 CB ALA A 22 -14.128 2.433 -4.583 1.00 0.00 C ATOM 0 H ALA A 22 -12.021 1.378 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.381 3.943 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.932 3.082 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.496 1.799 -5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.784 1.808 -3.758 1.00 0.00 H new ATOM 371 N ASP A 23 -12.060 5.310 -4.195 1.00 0.00 N ATOM 372 CA ASP A 23 -11.352 6.137 -3.201 1.00 0.00 C ATOM 373 C ASP A 23 -11.639 5.669 -1.765 1.00 0.00 C ATOM 374 O ASP A 23 -10.796 5.763 -0.895 1.00 0.00 O ATOM 375 CB ASP A 23 -11.920 7.522 -3.464 1.00 0.00 C ATOM 376 CG ASP A 23 -11.349 8.064 -4.776 1.00 0.00 C ATOM 377 OD1 ASP A 23 -11.760 7.583 -5.820 1.00 0.00 O ATOM 378 OD2 ASP A 23 -10.510 8.947 -4.717 1.00 0.00 O ATOM 0 H ASP A 23 -12.321 5.804 -5.048 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.267 6.089 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.008 7.477 -3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.670 8.192 -2.641 1.00 0.00 H new ATOM 383 N GLY A 24 -12.807 5.143 -1.513 1.00 0.00 N ATOM 384 CA GLY A 24 -13.112 4.651 -0.139 1.00 0.00 C ATOM 385 C GLY A 24 -12.903 3.133 -0.107 1.00 0.00 C ATOM 386 O GLY A 24 -12.405 2.581 0.855 1.00 0.00 O ATOM 0 H GLY A 24 -13.559 5.033 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.464 5.138 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.139 4.898 0.132 1.00 0.00 H new ATOM 390 N TYR A 25 -13.224 2.466 -1.186 1.00 0.00 N ATOM 391 CA TYR A 25 -12.982 0.991 -1.269 1.00 0.00 C ATOM 392 C TYR A 25 -11.567 0.797 -0.821 1.00 0.00 C ATOM 393 O TYR A 25 -11.276 0.046 0.084 1.00 0.00 O ATOM 394 CB TYR A 25 -13.114 0.697 -2.763 1.00 0.00 C ATOM 395 CG TYR A 25 -12.492 -0.616 -3.214 1.00 0.00 C ATOM 396 CD1 TYR A 25 -11.900 -1.507 -2.323 1.00 0.00 C ATOM 397 CD2 TYR A 25 -12.523 -0.939 -4.583 1.00 0.00 C ATOM 398 CE1 TYR A 25 -11.351 -2.684 -2.791 1.00 0.00 C ATOM 399 CE2 TYR A 25 -11.971 -2.137 -5.044 1.00 0.00 C ATOM 400 CZ TYR A 25 -11.381 -3.010 -4.143 1.00 0.00 C ATOM 401 OH TYR A 25 -10.826 -4.195 -4.583 1.00 0.00 O ATOM 0 H TYR A 25 -13.645 2.880 -2.018 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.645 0.360 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.172 0.690 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.653 1.512 -3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.870 -1.278 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.978 -0.255 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.889 -3.366 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.004 -2.381 -6.095 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.916 -4.877 -3.885 1.00 0.00 H new ATOM 411 N ALA A 26 -10.699 1.512 -1.451 1.00 0.00 N ATOM 412 CA ALA A 26 -9.256 1.450 -1.078 1.00 0.00 C ATOM 413 C ALA A 26 -9.108 1.137 0.425 1.00 0.00 C ATOM 414 O ALA A 26 -8.508 0.152 0.794 1.00 0.00 O ATOM 415 CB ALA A 26 -8.738 2.857 -1.408 1.00 0.00 C ATOM 0 H ALA A 26 -10.919 2.147 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.705 0.670 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.676 2.919 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.883 3.058 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.286 3.594 -0.821 1.00 0.00 H new ATOM 421 N ASN A 27 -9.668 1.950 1.290 1.00 0.00 N ATOM 422 CA ASN A 27 -9.556 1.675 2.763 1.00 0.00 C ATOM 423 C ASN A 27 -10.713 0.803 3.277 1.00 0.00 C ATOM 424 O ASN A 27 -10.850 0.581 4.463 1.00 0.00 O ATOM 425 CB ASN A 27 -9.620 3.049 3.429 1.00 0.00 C ATOM 426 CG ASN A 27 -11.039 3.585 3.356 1.00 0.00 C ATOM 427 OD1 ASN A 27 -11.925 3.116 4.044 1.00 0.00 O ATOM 428 ND2 ASN A 27 -11.288 4.559 2.536 1.00 0.00 N ATOM 0 H ASN A 27 -10.195 2.788 1.044 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.638 1.131 2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.301 2.975 4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.935 3.737 2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.233 4.937 2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.539 4.947 1.962 1.00 0.00 H new ATOM 435 N ASN A 28 -11.552 0.323 2.405 1.00 0.00 N ATOM 436 CA ASN A 28 -12.706 -0.513 2.849 1.00 0.00 C ATOM 437 C ASN A 28 -12.512 -1.982 2.454 1.00 0.00 C ATOM 438 O ASN A 28 -13.360 -2.814 2.715 1.00 0.00 O ATOM 439 CB ASN A 28 -13.902 0.071 2.099 1.00 0.00 C ATOM 440 CG ASN A 28 -15.112 0.141 3.030 1.00 0.00 C ATOM 441 OD1 ASN A 28 -15.150 -0.519 4.047 1.00 0.00 O ATOM 442 ND2 ASN A 28 -16.110 0.922 2.718 1.00 0.00 N ATOM 0 H ASN A 28 -11.490 0.473 1.398 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.827 -0.497 3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.659 1.067 1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.135 -0.545 1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.924 0.978 3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.076 1.476 1.862 1.00 0.00 H new ATOM 449 N PHE A 29 -11.425 -2.312 1.810 1.00 0.00 N ATOM 450 CA PHE A 29 -11.221 -3.733 1.388 1.00 0.00 C ATOM 451 C PHE A 29 -9.739 -4.017 1.096 1.00 0.00 C ATOM 452 O PHE A 29 -9.164 -4.972 1.575 1.00 0.00 O ATOM 453 CB PHE A 29 -12.052 -3.853 0.083 1.00 0.00 C ATOM 454 CG PHE A 29 -11.676 -5.092 -0.735 1.00 0.00 C ATOM 455 CD1 PHE A 29 -10.874 -6.109 -0.200 1.00 0.00 C ATOM 456 CD2 PHE A 29 -12.102 -5.188 -2.066 1.00 0.00 C ATOM 457 CE1 PHE A 29 -10.503 -7.200 -0.988 1.00 0.00 C ATOM 458 CE2 PHE A 29 -11.725 -6.273 -2.855 1.00 0.00 C ATOM 459 CZ PHE A 29 -10.923 -7.282 -2.318 1.00 0.00 C ATOM 0 H PHE A 29 -10.675 -1.668 1.559 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.522 -4.441 2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.112 -3.894 0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.901 -2.960 -0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.542 -6.049 0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.728 -4.414 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.889 -7.983 -0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.053 -6.333 -3.882 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.628 -8.123 -2.929 1.00 0.00 H new ATOM 469 N LEU A 30 -9.145 -3.229 0.271 1.00 0.00 N ATOM 470 CA LEU A 30 -7.725 -3.491 -0.137 1.00 0.00 C ATOM 471 C LEU A 30 -6.787 -3.206 0.996 1.00 0.00 C ATOM 472 O LEU A 30 -5.876 -3.955 1.288 1.00 0.00 O ATOM 473 CB LEU A 30 -7.462 -2.557 -1.324 1.00 0.00 C ATOM 474 CG LEU A 30 -8.657 -2.662 -2.243 1.00 0.00 C ATOM 475 CD1 LEU A 30 -8.548 -1.693 -3.422 1.00 0.00 C ATOM 476 CD2 LEU A 30 -8.797 -4.088 -2.785 1.00 0.00 C ATOM 0 H LEU A 30 -9.570 -2.404 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.566 -4.534 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.326 -1.530 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.549 -2.844 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.536 -2.402 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.425 -1.797 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.490 -0.671 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.651 -1.920 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.663 -4.143 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.899 -4.355 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.929 -4.782 -1.955 1.00 0.00 H new ATOM 488 N PHE A 31 -7.007 -2.124 1.626 1.00 0.00 N ATOM 489 CA PHE A 31 -6.147 -1.739 2.747 1.00 0.00 C ATOM 490 C PHE A 31 -6.526 -2.523 4.012 1.00 0.00 C ATOM 491 O PHE A 31 -5.679 -2.976 4.756 1.00 0.00 O ATOM 492 CB PHE A 31 -6.494 -0.291 2.910 1.00 0.00 C ATOM 493 CG PHE A 31 -6.175 0.485 1.642 1.00 0.00 C ATOM 494 CD1 PHE A 31 -5.596 -0.131 0.507 1.00 0.00 C ATOM 495 CD2 PHE A 31 -6.434 1.856 1.622 1.00 0.00 C ATOM 496 CE1 PHE A 31 -5.278 0.656 -0.613 1.00 0.00 C ATOM 497 CE2 PHE A 31 -6.127 2.623 0.500 1.00 0.00 C ATOM 498 CZ PHE A 31 -5.544 2.025 -0.610 1.00 0.00 C ATOM 0 H PHE A 31 -7.761 -1.470 1.413 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.087 -1.931 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.553 -0.190 3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.938 0.129 3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.401 -1.193 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.878 2.328 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.825 0.198 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.342 3.681 0.493 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.296 2.623 -1.474 1.00 0.00 H new ATOM 508 N LYS A 32 -7.799 -2.662 4.264 1.00 0.00 N ATOM 509 CA LYS A 32 -8.260 -3.388 5.483 1.00 0.00 C ATOM 510 C LYS A 32 -7.979 -4.890 5.380 1.00 0.00 C ATOM 511 O LYS A 32 -8.287 -5.647 6.280 1.00 0.00 O ATOM 512 CB LYS A 32 -9.767 -3.126 5.529 1.00 0.00 C ATOM 513 CG LYS A 32 -10.351 -3.680 6.829 1.00 0.00 C ATOM 514 CD LYS A 32 -9.867 -2.838 8.011 1.00 0.00 C ATOM 515 CE LYS A 32 -9.954 -3.669 9.294 1.00 0.00 C ATOM 516 NZ LYS A 32 -9.238 -2.874 10.331 1.00 0.00 N ATOM 0 H LYS A 32 -8.547 -2.300 3.672 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.743 -3.049 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.961 -2.056 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.253 -3.594 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.440 -3.669 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.048 -4.719 6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.840 -2.512 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.475 -1.938 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.991 -3.843 9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.492 -4.647 9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.259 -3.385 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.251 -2.730 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.704 -1.951 10.444 1.00 0.00 H new ATOM 530 N GLN A 33 -7.397 -5.336 4.303 1.00 0.00 N ATOM 531 CA GLN A 33 -7.114 -6.803 4.183 1.00 0.00 C ATOM 532 C GLN A 33 -5.680 -7.057 3.717 1.00 0.00 C ATOM 533 O GLN A 33 -5.179 -8.159 3.815 1.00 0.00 O ATOM 534 CB GLN A 33 -8.110 -7.331 3.158 1.00 0.00 C ATOM 535 CG GLN A 33 -9.465 -7.552 3.831 1.00 0.00 C ATOM 536 CD GLN A 33 -10.042 -8.900 3.392 1.00 0.00 C ATOM 537 OE1 GLN A 33 -10.578 -9.633 4.197 1.00 0.00 O ATOM 538 NE2 GLN A 33 -9.956 -9.255 2.139 1.00 0.00 N ATOM 0 H GLN A 33 -7.107 -4.764 3.510 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.216 -7.303 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.212 -6.623 2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.747 -8.266 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.352 -7.529 4.915 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.150 -6.747 3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.505 -8.638 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.340 -10.150 1.835 1.00 0.00 H new ATOM 547 N GLY A 34 -5.006 -6.061 3.221 1.00 0.00 N ATOM 548 CA GLY A 34 -3.605 -6.285 2.775 1.00 0.00 C ATOM 549 C GLY A 34 -3.531 -6.438 1.249 1.00 0.00 C ATOM 550 O GLY A 34 -2.550 -6.923 0.723 1.00 0.00 O ATOM 0 H GLY A 34 -5.359 -5.111 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.981 -5.449 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.206 -7.179 3.253 1.00 0.00 H new ATOM 554 N LEU A 35 -4.531 -6.005 0.525 1.00 0.00 N ATOM 555 CA LEU A 35 -4.458 -6.107 -0.969 1.00 0.00 C ATOM 556 C LEU A 35 -3.626 -4.944 -1.471 1.00 0.00 C ATOM 557 O LEU A 35 -2.719 -5.087 -2.275 1.00 0.00 O ATOM 558 CB LEU A 35 -5.874 -5.901 -1.506 1.00 0.00 C ATOM 559 CG LEU A 35 -6.821 -7.031 -1.099 1.00 0.00 C ATOM 560 CD1 LEU A 35 -7.629 -6.621 0.131 1.00 0.00 C ATOM 561 CD2 LEU A 35 -7.789 -7.292 -2.258 1.00 0.00 C ATOM 0 H LEU A 35 -5.386 -5.590 0.895 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.038 -7.064 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.265 -4.952 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.841 -5.832 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.243 -7.925 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.300 -7.432 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.951 -6.408 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.213 -5.730 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.473 -8.096 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.358 -6.386 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.225 -7.580 -3.145 1.00 0.00 H new ATOM 573 N ALA A 36 -3.991 -3.783 -0.994 1.00 0.00 N ATOM 574 CA ALA A 36 -3.322 -2.516 -1.386 1.00 0.00 C ATOM 575 C ALA A 36 -3.151 -1.616 -0.165 1.00 0.00 C ATOM 576 O ALA A 36 -3.538 -1.958 0.936 1.00 0.00 O ATOM 577 CB ALA A 36 -4.321 -1.841 -2.317 1.00 0.00 C ATOM 0 H ALA A 36 -4.752 -3.662 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.343 -2.693 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.913 -0.891 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.512 -2.486 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.254 -1.663 -1.782 1.00 0.00 H new ATOM 583 N ILE A 37 -2.629 -0.441 -0.373 1.00 0.00 N ATOM 584 CA ILE A 37 -2.499 0.530 0.755 1.00 0.00 C ATOM 585 C ILE A 37 -2.857 1.923 0.246 1.00 0.00 C ATOM 586 O ILE A 37 -2.858 2.176 -0.941 1.00 0.00 O ATOM 587 CB ILE A 37 -1.047 0.495 1.218 1.00 0.00 C ATOM 588 CG1 ILE A 37 -0.138 0.940 0.073 1.00 0.00 C ATOM 589 CG2 ILE A 37 -0.683 -0.919 1.662 1.00 0.00 C ATOM 590 CD1 ILE A 37 1.314 0.588 0.404 1.00 0.00 C ATOM 0 H ILE A 37 -2.286 -0.108 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.163 0.277 1.581 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.915 1.173 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.439 0.452 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.235 2.014 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.356 -0.941 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.332 -1.220 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.812 -1.607 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.961 0.906 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.612 1.096 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.405 -0.490 0.541 1.00 0.00 H new ATOM 602 N GLU A 38 -3.156 2.827 1.127 1.00 0.00 N ATOM 603 CA GLU A 38 -3.509 4.206 0.677 1.00 0.00 C ATOM 604 C GLU A 38 -2.379 4.754 -0.195 1.00 0.00 C ATOM 605 O GLU A 38 -1.334 5.121 0.304 1.00 0.00 O ATOM 606 CB GLU A 38 -3.642 5.022 1.969 1.00 0.00 C ATOM 607 CG GLU A 38 -3.693 6.522 1.649 1.00 0.00 C ATOM 608 CD GLU A 38 -3.025 7.303 2.785 1.00 0.00 C ATOM 609 OE1 GLU A 38 -3.201 6.912 3.927 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.349 8.275 2.493 1.00 0.00 O ATOM 0 H GLU A 38 -3.173 2.678 2.136 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.424 4.240 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.545 4.726 2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.799 4.812 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.184 6.722 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.727 6.845 1.528 1.00 0.00 H new ATOM 617 N ALA A 39 -2.560 4.813 -1.490 1.00 0.00 N ATOM 618 CA ALA A 39 -1.443 5.343 -2.342 1.00 0.00 C ATOM 619 C ALA A 39 -1.005 6.727 -1.847 1.00 0.00 C ATOM 620 O ALA A 39 -1.512 7.742 -2.283 1.00 0.00 O ATOM 621 CB ALA A 39 -2.010 5.448 -3.753 1.00 0.00 C ATOM 0 H ALA A 39 -3.404 4.528 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.569 4.692 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.242 5.830 -4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.331 4.462 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.863 6.127 -3.753 1.00 0.00 H new ATOM 627 N THR A 40 -0.063 6.775 -0.945 1.00 0.00 N ATOM 628 CA THR A 40 0.410 8.092 -0.426 1.00 0.00 C ATOM 629 C THR A 40 1.873 8.319 -0.818 1.00 0.00 C ATOM 630 O THR A 40 2.602 7.384 -1.063 1.00 0.00 O ATOM 631 CB THR A 40 0.253 8.003 1.101 1.00 0.00 C ATOM 632 OG1 THR A 40 0.000 9.292 1.638 1.00 0.00 O ATOM 633 CG2 THR A 40 1.518 7.416 1.744 1.00 0.00 C ATOM 0 H THR A 40 0.400 5.959 -0.544 1.00 0.00 H new ATOM 0 HA THR A 40 -0.156 8.928 -0.837 1.00 0.00 H new ATOM 0 HB THR A 40 -0.588 7.346 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.876 9.297 2.077 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.385 7.362 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.696 6.415 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.372 8.053 1.515 1.00 0.00 H new ATOM 641 N PRO A 41 2.245 9.564 -0.856 1.00 0.00 N ATOM 642 CA PRO A 41 3.634 9.906 -1.220 1.00 0.00 C ATOM 643 C PRO A 41 4.624 9.076 -0.397 1.00 0.00 C ATOM 644 O PRO A 41 5.409 8.317 -0.932 1.00 0.00 O ATOM 645 CB PRO A 41 3.728 11.382 -0.842 1.00 0.00 C ATOM 646 CG PRO A 41 2.690 11.595 0.228 1.00 0.00 C ATOM 647 CD PRO A 41 1.819 10.362 0.290 1.00 0.00 C ATOM 0 HA PRO A 41 3.870 9.710 -2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.724 11.630 -0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.538 12.020 -1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.168 11.772 1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.088 12.475 0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.960 9.822 1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.761 10.618 0.226 1.00 0.00 H new ATOM 655 N ALA A 42 4.591 9.227 0.901 1.00 0.00 N ATOM 656 CA ALA A 42 5.527 8.467 1.785 1.00 0.00 C ATOM 657 C ALA A 42 5.779 7.053 1.244 1.00 0.00 C ATOM 658 O ALA A 42 6.863 6.521 1.367 1.00 0.00 O ATOM 659 CB ALA A 42 4.826 8.407 3.143 1.00 0.00 C ATOM 0 H ALA A 42 3.950 9.850 1.392 1.00 0.00 H new ATOM 0 HA ALA A 42 6.504 8.947 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.451 7.863 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.658 9.419 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.869 7.896 3.036 1.00 0.00 H new ATOM 665 N ASN A 43 4.791 6.437 0.651 1.00 0.00 N ATOM 666 CA ASN A 43 4.994 5.057 0.117 1.00 0.00 C ATOM 667 C ASN A 43 5.256 5.089 -1.390 1.00 0.00 C ATOM 668 O ASN A 43 6.204 4.508 -1.879 1.00 0.00 O ATOM 669 CB ASN A 43 3.686 4.321 0.410 1.00 0.00 C ATOM 670 CG ASN A 43 4.006 2.895 0.857 1.00 0.00 C ATOM 671 OD1 ASN A 43 3.325 2.364 1.831 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 4.889 2.261 0.316 1.00 0.00 N flip ATOM 0 H ASN A 43 3.858 6.826 0.513 1.00 0.00 H new ATOM 0 HA ASN A 43 5.855 4.570 0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.127 4.842 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.056 4.304 -0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.422 2.678 -0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.098 1.311 0.625 1.00 0.00 H new ATOM 679 N LEU A 44 4.416 5.753 -2.126 1.00 0.00 N ATOM 680 CA LEU A 44 4.596 5.821 -3.602 1.00 0.00 C ATOM 681 C LEU A 44 6.075 6.004 -3.961 1.00 0.00 C ATOM 682 O LEU A 44 6.602 5.325 -4.818 1.00 0.00 O ATOM 683 CB LEU A 44 3.783 7.040 -4.034 1.00 0.00 C ATOM 684 CG LEU A 44 2.486 6.581 -4.701 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.823 5.784 -5.961 1.00 0.00 C ATOM 686 CD2 LEU A 44 1.697 5.697 -3.729 1.00 0.00 C ATOM 0 H LEU A 44 3.605 6.257 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 44 4.269 4.908 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.558 7.665 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.363 7.650 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 44 1.884 7.449 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.901 5.454 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.385 6.414 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.423 4.915 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.772 5.369 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.296 4.826 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.461 6.266 -2.829 1.00 0.00 H new ATOM 698 N LYS A 45 6.746 6.920 -3.316 1.00 0.00 N ATOM 699 CA LYS A 45 8.186 7.151 -3.626 1.00 0.00 C ATOM 700 C LYS A 45 9.005 5.880 -3.380 1.00 0.00 C ATOM 701 O LYS A 45 9.949 5.595 -4.090 1.00 0.00 O ATOM 702 CB LYS A 45 8.617 8.261 -2.668 1.00 0.00 C ATOM 703 CG LYS A 45 8.243 9.616 -3.265 1.00 0.00 C ATOM 704 CD LYS A 45 9.500 10.471 -3.422 1.00 0.00 C ATOM 705 CE LYS A 45 9.208 11.897 -2.950 1.00 0.00 C ATOM 706 NZ LYS A 45 9.132 12.707 -4.198 1.00 0.00 N ATOM 0 H LYS A 45 6.358 7.519 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 45 8.342 7.422 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.132 8.131 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.692 8.211 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.762 9.478 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.524 10.123 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.318 10.044 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.819 10.479 -4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.273 11.944 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.994 12.263 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.934 13.699 -3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.038 12.648 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.371 12.340 -4.804 1.00 0.00 H new ATOM 720 N ALA A 46 8.657 5.116 -2.382 1.00 0.00 N ATOM 721 CA ALA A 46 9.424 3.868 -2.099 1.00 0.00 C ATOM 722 C ALA A 46 9.143 2.817 -3.176 1.00 0.00 C ATOM 723 O ALA A 46 10.026 2.099 -3.600 1.00 0.00 O ATOM 724 CB ALA A 46 8.915 3.390 -0.740 1.00 0.00 C ATOM 0 H ALA A 46 7.877 5.300 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 46 10.501 4.038 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.433 2.473 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.105 4.158 0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.844 3.198 -0.800 1.00 0.00 H new ATOM 730 N LEU A 47 7.917 2.725 -3.616 1.00 0.00 N ATOM 731 CA LEU A 47 7.569 1.723 -4.665 1.00 0.00 C ATOM 732 C LEU A 47 8.676 1.657 -5.724 1.00 0.00 C ATOM 733 O LEU A 47 9.091 0.591 -6.136 1.00 0.00 O ATOM 734 CB LEU A 47 6.268 2.242 -5.286 1.00 0.00 C ATOM 735 CG LEU A 47 5.104 1.318 -4.918 1.00 0.00 C ATOM 736 CD1 LEU A 47 5.427 -0.118 -5.329 1.00 0.00 C ATOM 737 CD2 LEU A 47 4.869 1.375 -3.407 1.00 0.00 C ATOM 0 H LEU A 47 7.140 3.302 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 47 7.459 0.718 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.065 3.253 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.370 2.297 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 47 4.207 1.646 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.594 -0.769 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.592 -0.160 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.327 -0.451 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.041 0.718 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.770 1.051 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.629 2.397 -3.114 1.00 0.00 H new ATOM 749 N GLU A 48 9.156 2.788 -6.171 1.00 0.00 N ATOM 750 CA GLU A 48 10.231 2.788 -7.207 1.00 0.00 C ATOM 751 C GLU A 48 11.555 2.304 -6.608 1.00 0.00 C ATOM 752 O GLU A 48 12.204 1.430 -7.146 1.00 0.00 O ATOM 753 CB GLU A 48 10.352 4.244 -7.662 1.00 0.00 C ATOM 754 CG GLU A 48 11.595 4.396 -8.541 1.00 0.00 C ATOM 755 CD GLU A 48 11.504 5.699 -9.336 1.00 0.00 C ATOM 756 OE1 GLU A 48 10.420 6.258 -9.402 1.00 0.00 O ATOM 757 OE2 GLU A 48 12.521 6.118 -9.867 1.00 0.00 O ATOM 0 H GLU A 48 8.850 3.711 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 48 9.996 2.120 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.461 4.539 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.421 4.903 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.492 4.397 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.678 3.548 -9.221 1.00 0.00 H new ATOM 764 N ALA A 49 11.964 2.864 -5.505 1.00 0.00 N ATOM 765 CA ALA A 49 13.251 2.432 -4.886 1.00 0.00 C ATOM 766 C ALA A 49 13.253 0.917 -4.666 1.00 0.00 C ATOM 767 O ALA A 49 14.243 0.250 -4.889 1.00 0.00 O ATOM 768 CB ALA A 49 13.314 3.174 -3.550 1.00 0.00 C ATOM 0 H ALA A 49 11.466 3.600 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 49 14.111 2.657 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.235 2.910 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.294 4.249 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.458 2.893 -2.937 1.00 0.00 H new ATOM 774 N GLN A 50 12.151 0.368 -4.235 1.00 0.00 N ATOM 775 CA GLN A 50 12.097 -1.104 -4.007 1.00 0.00 C ATOM 776 C GLN A 50 12.587 -1.841 -5.254 1.00 0.00 C ATOM 777 O GLN A 50 13.179 -2.899 -5.170 1.00 0.00 O ATOM 778 CB GLN A 50 10.626 -1.420 -3.735 1.00 0.00 C ATOM 779 CG GLN A 50 10.399 -1.512 -2.225 1.00 0.00 C ATOM 780 CD GLN A 50 9.339 -2.576 -1.936 1.00 0.00 C ATOM 781 OE1 GLN A 50 8.171 -2.374 -2.204 1.00 0.00 O ATOM 782 NE2 GLN A 50 9.699 -3.708 -1.401 1.00 0.00 N ATOM 0 H GLN A 50 11.288 0.873 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 50 12.732 -1.417 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.991 -0.645 -4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.349 -2.359 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.331 -1.765 -1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.077 -0.546 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.680 -3.877 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.000 -4.425 -1.207 1.00 0.00 H new ATOM 791 N LYS A 51 12.353 -1.284 -6.411 1.00 0.00 N ATOM 792 CA LYS A 51 12.815 -1.945 -7.663 1.00 0.00 C ATOM 793 C LYS A 51 14.341 -2.013 -7.670 1.00 0.00 C ATOM 794 O LYS A 51 14.928 -2.991 -8.090 1.00 0.00 O ATOM 795 CB LYS A 51 12.311 -1.052 -8.795 1.00 0.00 C ATOM 796 CG LYS A 51 12.918 -1.516 -10.121 1.00 0.00 C ATOM 797 CD LYS A 51 12.115 -2.699 -10.663 1.00 0.00 C ATOM 798 CE LYS A 51 12.803 -4.010 -10.275 1.00 0.00 C ATOM 799 NZ LYS A 51 13.051 -4.709 -11.566 1.00 0.00 N ATOM 0 H LYS A 51 11.862 -0.400 -6.543 1.00 0.00 H new ATOM 0 HA LYS A 51 12.443 -2.965 -7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.223 -1.092 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.583 -0.014 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.912 -0.698 -10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.959 -1.805 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.101 -2.677 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.031 -2.628 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.735 -3.824 -9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.172 -4.608 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.521 -5.618 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.145 -4.878 -12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.660 -4.119 -12.169 1.00 0.00 H new ATOM 813 N GLN A 52 14.987 -0.984 -7.193 1.00 0.00 N ATOM 814 CA GLN A 52 16.475 -0.989 -7.156 1.00 0.00 C ATOM 815 C GLN A 52 16.950 -1.880 -6.007 1.00 0.00 C ATOM 816 O GLN A 52 17.645 -2.856 -6.208 1.00 0.00 O ATOM 817 CB GLN A 52 16.877 0.467 -6.910 1.00 0.00 C ATOM 818 CG GLN A 52 17.319 1.106 -8.228 1.00 0.00 C ATOM 819 CD GLN A 52 16.341 2.217 -8.613 1.00 0.00 C ATOM 820 OE1 GLN A 52 15.928 2.315 -9.753 1.00 0.00 O ATOM 821 NE2 GLN A 52 15.955 3.066 -7.702 1.00 0.00 N ATOM 0 H GLN A 52 14.547 -0.140 -6.827 1.00 0.00 H new ATOM 0 HA GLN A 52 16.917 -1.375 -8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 52 16.038 1.021 -6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 52 17.687 0.513 -6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 52 18.325 1.512 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 52 17.357 0.352 -9.015 1.00 0.00 H new ATOM 0 HE21 GLN A 52 16.302 2.982 -6.747 1.00 0.00 H new ATOM 0 HE22 GLN A 52 15.306 3.814 -7.945 1.00 0.00 H new ATOM 830 N LYS A 53 16.563 -1.554 -4.802 1.00 0.00 N ATOM 831 CA LYS A 53 16.972 -2.384 -3.633 1.00 0.00 C ATOM 832 C LYS A 53 16.596 -3.849 -3.879 1.00 0.00 C ATOM 833 O LYS A 53 17.444 -4.683 -4.126 1.00 0.00 O ATOM 834 CB LYS A 53 16.184 -1.813 -2.452 1.00 0.00 C ATOM 835 CG LYS A 53 17.132 -1.024 -1.546 1.00 0.00 C ATOM 836 CD LYS A 53 16.330 -0.313 -0.454 1.00 0.00 C ATOM 837 CE LYS A 53 16.689 1.176 -0.447 1.00 0.00 C ATOM 838 NZ LYS A 53 17.243 1.438 0.912 1.00 0.00 N ATOM 0 H LYS A 53 15.980 -0.747 -4.577 1.00 0.00 H new ATOM 0 HA LYS A 53 18.047 -2.357 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.384 -1.166 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.713 -2.620 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.862 -1.696 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.690 -0.295 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.262 -0.440 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.547 -0.755 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.420 1.409 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.812 1.793 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.511 2.440 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.524 1.215 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.081 0.842 1.066 1.00 0.00 H new ATOM 852 N GLU A 54 15.331 -4.166 -3.821 1.00 0.00 N ATOM 853 CA GLU A 54 14.901 -5.574 -4.060 1.00 0.00 C ATOM 854 C GLU A 54 14.997 -5.903 -5.555 1.00 0.00 C ATOM 855 O GLU A 54 14.588 -5.129 -6.398 1.00 0.00 O ATOM 856 CB GLU A 54 13.446 -5.632 -3.587 1.00 0.00 C ATOM 857 CG GLU A 54 13.299 -6.697 -2.498 1.00 0.00 C ATOM 858 CD GLU A 54 13.047 -8.058 -3.147 1.00 0.00 C ATOM 859 OE1 GLU A 54 13.837 -8.445 -3.991 1.00 0.00 O ATOM 860 OE2 GLU A 54 12.068 -8.693 -2.787 1.00 0.00 O ATOM 0 H GLU A 54 14.576 -3.511 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 54 15.526 -6.295 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.140 -4.659 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.790 -5.863 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.201 -6.735 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.474 -6.441 -1.833 1.00 0.00 H new ATOM 867 N GLN A 55 15.532 -7.045 -5.889 1.00 0.00 N ATOM 868 CA GLN A 55 15.657 -7.428 -7.326 1.00 0.00 C ATOM 869 C GLN A 55 15.544 -8.946 -7.460 1.00 0.00 C ATOM 870 O GLN A 55 16.454 -9.607 -7.917 1.00 0.00 O ATOM 871 CB GLN A 55 17.054 -6.958 -7.744 1.00 0.00 C ATOM 872 CG GLN A 55 17.046 -6.580 -9.227 1.00 0.00 C ATOM 873 CD GLN A 55 18.077 -5.477 -9.479 1.00 0.00 C ATOM 874 OE1 GLN A 55 19.180 -5.745 -9.911 1.00 0.00 O ATOM 875 NE2 GLN A 55 17.761 -4.236 -9.224 1.00 0.00 N ATOM 0 H GLN A 55 15.890 -7.733 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 55 14.879 -6.984 -7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.356 -6.101 -7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 55 17.784 -7.748 -7.563 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.276 -7.454 -9.837 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.053 -6.239 -9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.835 -4.010 -8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 55 18.440 -3.493 -9.388 1.00 0.00 H new ATOM 884 N ARG A 56 14.440 -9.505 -7.050 1.00 0.00 N ATOM 885 CA ARG A 56 14.285 -10.983 -7.138 1.00 0.00 C ATOM 886 C ARG A 56 12.806 -11.360 -7.272 1.00 0.00 C ATOM 887 O ARG A 56 12.016 -10.484 -7.579 1.00 0.00 O ATOM 888 CB ARG A 56 14.860 -11.492 -5.818 1.00 0.00 C ATOM 889 CG ARG A 56 15.397 -12.913 -5.997 1.00 0.00 C ATOM 890 CD ARG A 56 16.438 -13.200 -4.913 1.00 0.00 C ATOM 891 NE ARG A 56 17.487 -12.159 -5.104 1.00 0.00 N ATOM 892 CZ ARG A 56 18.269 -11.826 -4.112 1.00 0.00 C ATOM 893 NH1 ARG A 56 18.171 -12.438 -2.963 1.00 0.00 N ATOM 894 NH2 ARG A 56 19.152 -10.881 -4.271 1.00 0.00 N ATOM 895 OXT ARG A 56 12.491 -12.520 -7.060 1.00 0.00 O ATOM 0 H ARG A 56 13.642 -9.005 -6.659 1.00 0.00 H new ATOM 0 HA ARG A 56 14.788 -11.412 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.659 -10.832 -5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.090 -11.480 -5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.581 -13.633 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 56 15.844 -13.024 -6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.998 -13.140 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 56 16.852 -14.203 -5.019 1.00 0.00 H new ATOM 0 HE ARG A 56 17.595 -11.705 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.482 -13.179 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.784 -12.175 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.231 -10.403 -5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.764 -10.619 -3.498 1.00 0.00 H new TER 909 ARG A 56