USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 6 LYS NZ :NH3+ -116:sc= -0.0755 (180deg=-0.119) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=-0.076,f=-0.17) USER MOD Single : A 1 MET CE :methyl -122:sc= -0.0297 (180deg=-0.394) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.75 (180deg=-0.658) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 9 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -126:sc= 0.513 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0813 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= -1.03 (180deg=-1.09) USER MOD Single : A 29 LYS NZ :NH3+ -129:sc= 0.829 (180deg=-0.261) USER MOD Single : A 31 GLN : amide:sc= -0.0306 K(o=-0.031,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.058 X(o=-0.058,f=-0.048) USER MOD Single : A 41 GLN : amide:sc= -0.491 K(o=-0.49,f=-3.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 28:sc= 0.262 USER MOD Single : A 60 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.6!) USER MOD Single : A 62 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.6) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 27:sc= -0.378! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.580 -5.037 5.697 1.00 0.00 N ATOM 2 CA MET A 1 -13.123 -4.441 6.940 1.00 0.00 C ATOM 3 C MET A 1 -12.273 -3.197 6.671 1.00 0.00 C ATOM 4 O MET A 1 -12.040 -2.837 5.518 1.00 0.00 O ATOM 5 CB MET A 1 -12.296 -5.463 7.724 1.00 0.00 C ATOM 6 CG MET A 1 -11.042 -5.866 6.946 1.00 0.00 C ATOM 7 SD MET A 1 -10.227 -7.226 7.766 1.00 0.00 S ATOM 8 CE MET A 1 -11.305 -8.567 7.289 1.00 0.00 C ATOM 0 H1 MET A 1 -14.620 -5.046 5.678 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.224 -4.480 4.894 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.224 -6.012 5.628 1.00 0.00 H new ATOM 0 HA MET A 1 -13.996 -4.144 7.521 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.011 -5.042 8.688 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.901 -6.346 7.928 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.311 -6.152 5.929 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.363 -5.017 6.869 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.700 -9.052 8.182 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.130 -8.176 6.693 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.744 -9.293 6.700 1.00 0.00 H new ATOM 18 N GLN A 2 -11.834 -2.573 7.755 1.00 0.00 N ATOM 19 CA GLN A 2 -11.016 -1.377 7.650 1.00 0.00 C ATOM 20 C GLN A 2 -9.532 -1.749 7.630 1.00 0.00 C ATOM 21 O GLN A 2 -9.154 -2.835 8.068 1.00 0.00 O ATOM 22 CB GLN A 2 -11.321 -0.403 8.789 1.00 0.00 C ATOM 23 CG GLN A 2 -12.499 0.506 8.433 1.00 0.00 C ATOM 24 CD GLN A 2 -13.223 0.987 9.691 1.00 0.00 C ATOM 25 OE1 GLN A 2 -14.233 0.441 10.105 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.651 2.035 10.277 1.00 0.00 N ATOM 0 H GLN A 2 -12.030 -2.874 8.710 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.258 -0.876 6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.549 -0.960 9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.440 0.203 8.999 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.141 1.365 7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.197 -0.032 7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.806 2.444 9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -13.057 2.429 11.125 1.00 0.00 H new ATOM 35 N ILE A 3 -8.730 -0.827 7.118 1.00 0.00 N ATOM 36 CA ILE A 3 -7.296 -1.044 7.035 1.00 0.00 C ATOM 37 C ILE A 3 -6.567 0.245 7.415 1.00 0.00 C ATOM 38 O ILE A 3 -7.087 1.341 7.210 1.00 0.00 O ATOM 39 CB ILE A 3 -6.914 -1.583 5.654 1.00 0.00 C ATOM 40 CG1 ILE A 3 -7.161 -0.533 4.569 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.642 -2.895 5.358 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.947 0.384 4.407 1.00 0.00 C ATOM 0 H ILE A 3 -9.047 0.073 6.756 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.985 -1.808 7.747 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.846 -1.800 5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.377 -1.027 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.038 0.061 4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.353 -3.257 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.374 -3.638 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.719 -2.727 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.149 1.121 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.749 0.895 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.077 -0.210 4.127 1.00 0.00 H new ATOM 54 N PHE A 4 -5.372 0.073 7.961 1.00 0.00 N ATOM 55 CA PHE A 4 -4.565 1.209 8.371 1.00 0.00 C ATOM 56 C PHE A 4 -3.240 1.246 7.607 1.00 0.00 C ATOM 57 O PHE A 4 -2.324 0.484 7.912 1.00 0.00 O ATOM 58 CB PHE A 4 -4.275 1.037 9.864 1.00 0.00 C ATOM 59 CG PHE A 4 -5.385 1.561 10.778 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.609 0.969 10.770 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.146 2.619 11.598 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.639 1.456 11.619 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.177 3.106 12.446 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.400 2.514 12.438 1.00 0.00 C ATOM 0 H PHE A 4 -4.943 -0.837 8.129 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.098 2.137 8.164 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.115 -0.021 10.073 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.346 1.553 10.105 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.798 0.129 10.118 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.174 3.089 11.605 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.611 0.986 11.614 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.988 3.947 13.097 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.183 2.885 13.083 1.00 0.00 H new ATOM 74 N VAL A 5 -3.181 2.139 6.630 1.00 0.00 N ATOM 75 CA VAL A 5 -1.984 2.284 5.821 1.00 0.00 C ATOM 76 C VAL A 5 -1.153 3.454 6.353 1.00 0.00 C ATOM 77 O VAL A 5 -1.698 4.399 6.921 1.00 0.00 O ATOM 78 CB VAL A 5 -2.364 2.442 4.347 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.759 3.887 4.035 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.228 1.974 3.436 1.00 0.00 C ATOM 0 H VAL A 5 -3.943 2.769 6.381 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.366 1.389 5.889 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.230 1.809 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.024 3.972 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.614 4.171 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.920 4.548 4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.523 2.097 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.336 2.568 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.014 0.923 3.631 1.00 0.00 H new ATOM 90 N LYS A 6 0.152 3.353 6.149 1.00 0.00 N ATOM 91 CA LYS A 6 1.063 4.390 6.601 1.00 0.00 C ATOM 92 C LYS A 6 1.566 5.183 5.393 1.00 0.00 C ATOM 93 O LYS A 6 1.781 4.619 4.321 1.00 0.00 O ATOM 94 CB LYS A 6 2.185 3.787 7.450 1.00 0.00 C ATOM 95 CG LYS A 6 2.093 4.266 8.899 1.00 0.00 C ATOM 96 CD LYS A 6 2.761 3.271 9.849 1.00 0.00 C ATOM 97 CE LYS A 6 3.985 3.893 10.525 1.00 0.00 C ATOM 98 NZ LYS A 6 5.009 4.248 9.517 1.00 0.00 N ATOM 0 H LYS A 6 0.600 2.568 5.676 1.00 0.00 H new ATOM 0 HA LYS A 6 0.545 5.093 7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.125 2.699 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.152 4.066 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.570 5.241 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.047 4.394 9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.046 2.951 10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.060 2.380 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.688 4.783 11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.404 3.192 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.865 3.679 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.639 4.057 8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.244 5.258 9.601 1.00 0.00 H new ATOM 112 N THR A 7 1.737 6.480 5.605 1.00 0.00 N ATOM 113 CA THR A 7 2.210 7.356 4.547 1.00 0.00 C ATOM 114 C THR A 7 3.707 7.627 4.708 1.00 0.00 C ATOM 115 O THR A 7 4.293 7.305 5.740 1.00 0.00 O ATOM 116 CB THR A 7 1.358 8.626 4.569 1.00 0.00 C ATOM 117 OG1 THR A 7 0.066 8.171 4.964 1.00 0.00 O ATOM 118 CG2 THR A 7 1.136 9.207 3.171 1.00 0.00 C ATOM 0 H THR A 7 1.556 6.945 6.495 1.00 0.00 H new ATOM 0 HA THR A 7 2.099 6.889 3.568 1.00 0.00 H new ATOM 0 HB THR A 7 1.838 9.373 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.550 8.932 5.006 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.525 10.107 3.244 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.098 9.456 2.724 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.626 8.472 2.548 1.00 0.00 H new ATOM 126 N LEU A 8 4.284 8.214 3.670 1.00 0.00 N ATOM 127 CA LEU A 8 5.702 8.531 3.682 1.00 0.00 C ATOM 128 C LEU A 8 6.026 9.353 4.931 1.00 0.00 C ATOM 129 O LEU A 8 7.149 9.314 5.431 1.00 0.00 O ATOM 130 CB LEU A 8 6.110 9.213 2.375 1.00 0.00 C ATOM 131 CG LEU A 8 5.997 10.739 2.350 1.00 0.00 C ATOM 132 CD1 LEU A 8 4.565 11.188 2.643 1.00 0.00 C ATOM 133 CD2 LEU A 8 7.005 11.378 3.307 1.00 0.00 C ATOM 0 H LEU A 8 3.795 8.479 2.815 1.00 0.00 H new ATOM 0 HA LEU A 8 6.295 7.618 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.142 8.941 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.495 8.810 1.571 1.00 0.00 H new ATOM 0 HG LEU A 8 6.243 11.083 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.513 12.276 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.893 10.776 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.267 10.832 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.904 12.463 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.814 11.030 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.016 11.097 3.011 1.00 0.00 H new ATOM 145 N THR A 9 5.021 10.078 5.400 1.00 0.00 N ATOM 146 CA THR A 9 5.184 10.908 6.581 1.00 0.00 C ATOM 147 C THR A 9 4.613 10.202 7.812 1.00 0.00 C ATOM 148 O THR A 9 3.913 10.816 8.616 1.00 0.00 O ATOM 149 CB THR A 9 4.532 12.264 6.301 1.00 0.00 C ATOM 150 OG1 THR A 9 4.571 12.934 7.558 1.00 0.00 O ATOM 151 CG2 THR A 9 3.039 12.142 5.990 1.00 0.00 C ATOM 0 H THR A 9 4.091 10.108 4.983 1.00 0.00 H new ATOM 0 HA THR A 9 6.238 11.078 6.802 1.00 0.00 H new ATOM 0 HB THR A 9 5.039 12.745 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.944 12.505 8.177 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.625 13.132 5.799 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.901 11.515 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.526 11.692 6.840 1.00 0.00 H new ATOM 159 N GLY A 10 4.931 8.920 7.920 1.00 0.00 N ATOM 160 CA GLY A 10 4.458 8.124 9.040 1.00 0.00 C ATOM 161 C GLY A 10 3.031 8.517 9.428 1.00 0.00 C ATOM 162 O GLY A 10 2.655 8.429 10.596 1.00 0.00 O ATOM 0 H GLY A 10 5.510 8.413 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.489 7.066 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.122 8.261 9.894 1.00 0.00 H new ATOM 166 N LYS A 11 2.275 8.943 8.427 1.00 0.00 N ATOM 167 CA LYS A 11 0.897 9.350 8.650 1.00 0.00 C ATOM 168 C LYS A 11 -0.002 8.112 8.647 1.00 0.00 C ATOM 169 O LYS A 11 0.263 7.148 7.930 1.00 0.00 O ATOM 170 CB LYS A 11 0.482 10.413 7.631 1.00 0.00 C ATOM 171 CG LYS A 11 -0.921 10.942 7.932 1.00 0.00 C ATOM 172 CD LYS A 11 -0.920 12.467 8.045 1.00 0.00 C ATOM 173 CE LYS A 11 -2.289 12.985 8.491 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.211 14.421 8.841 1.00 0.00 N ATOM 0 H LYS A 11 2.590 9.015 7.460 1.00 0.00 H new ATOM 0 HA LYS A 11 0.791 9.819 9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.196 11.236 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.507 9.989 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.607 10.633 7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.286 10.505 8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.158 12.782 8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.657 12.906 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.017 12.838 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.638 12.413 9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.148 14.756 9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.531 14.553 9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.899 14.964 8.011 1.00 0.00 H new ATOM 188 N THR A 12 -1.046 8.178 9.460 1.00 0.00 N ATOM 189 CA THR A 12 -1.987 7.075 9.560 1.00 0.00 C ATOM 190 C THR A 12 -3.254 7.379 8.758 1.00 0.00 C ATOM 191 O THR A 12 -4.006 8.290 9.100 1.00 0.00 O ATOM 192 CB THR A 12 -2.254 6.817 11.045 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.971 6.504 11.579 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.075 5.546 11.278 1.00 0.00 C ATOM 0 H THR A 12 -1.261 8.978 10.055 1.00 0.00 H new ATOM 0 HA THR A 12 -1.577 6.164 9.124 1.00 0.00 H new ATOM 0 HB THR A 12 -2.776 7.672 11.475 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.051 6.324 12.539 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.237 5.408 12.347 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.037 5.637 10.774 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.536 4.687 10.879 1.00 0.00 H new ATOM 202 N ILE A 13 -3.452 6.597 7.706 1.00 0.00 N ATOM 203 CA ILE A 13 -4.615 6.772 6.853 1.00 0.00 C ATOM 204 C ILE A 13 -5.439 5.482 6.851 1.00 0.00 C ATOM 205 O ILE A 13 -4.991 4.456 6.344 1.00 0.00 O ATOM 206 CB ILE A 13 -4.191 7.232 5.457 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.642 8.659 5.493 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.340 7.084 4.459 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.328 9.162 4.083 1.00 0.00 C ATOM 0 H ILE A 13 -2.827 5.841 7.426 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.258 7.562 7.242 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.383 6.586 5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.369 9.320 5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.739 8.690 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.012 7.418 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.643 6.038 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.185 7.690 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.939 10.179 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.583 8.513 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.238 9.153 3.483 1.00 0.00 H new ATOM 221 N THR A 14 -6.628 5.577 7.427 1.00 0.00 N ATOM 222 CA THR A 14 -7.518 4.432 7.499 1.00 0.00 C ATOM 223 C THR A 14 -8.521 4.462 6.343 1.00 0.00 C ATOM 224 O THR A 14 -9.030 5.523 5.986 1.00 0.00 O ATOM 225 CB THR A 14 -8.182 4.433 8.878 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.137 4.822 9.765 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.563 3.027 9.345 1.00 0.00 C ATOM 0 H THR A 14 -6.996 6.430 7.848 1.00 0.00 H new ATOM 0 HA THR A 14 -6.968 3.498 7.388 1.00 0.00 H new ATOM 0 HB THR A 14 -9.073 5.061 8.852 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.046 4.154 10.476 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.030 3.084 10.328 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.263 2.585 8.636 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.668 2.408 9.404 1.00 0.00 H new ATOM 235 N LEU A 15 -8.774 3.284 5.791 1.00 0.00 N ATOM 236 CA LEU A 15 -9.706 3.163 4.682 1.00 0.00 C ATOM 237 C LEU A 15 -10.578 1.922 4.889 1.00 0.00 C ATOM 238 O LEU A 15 -10.071 0.851 5.221 1.00 0.00 O ATOM 239 CB LEU A 15 -8.957 3.173 3.349 1.00 0.00 C ATOM 240 CG LEU A 15 -9.542 4.075 2.259 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.901 3.554 1.787 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.616 5.528 2.731 1.00 0.00 C ATOM 0 H LEU A 15 -8.350 2.406 6.091 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.375 4.023 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.928 3.481 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.920 2.153 2.968 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.872 4.050 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.294 4.213 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.785 2.548 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.593 3.529 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.035 6.147 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.251 5.592 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.615 5.882 2.977 1.00 0.00 H new ATOM 254 N GLU A 16 -11.873 2.108 4.684 1.00 0.00 N ATOM 255 CA GLU A 16 -12.820 1.016 4.843 1.00 0.00 C ATOM 256 C GLU A 16 -13.086 0.343 3.496 1.00 0.00 C ATOM 257 O GLU A 16 -13.603 0.973 2.575 1.00 0.00 O ATOM 258 CB GLU A 16 -14.123 1.509 5.477 1.00 0.00 C ATOM 259 CG GLU A 16 -14.838 2.501 4.559 1.00 0.00 C ATOM 260 CD GLU A 16 -15.473 3.636 5.365 1.00 0.00 C ATOM 261 OE1 GLU A 16 -14.939 3.923 6.459 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.478 4.190 4.870 1.00 0.00 O ATOM 0 H GLU A 16 -12.290 2.998 4.409 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.384 0.277 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.776 0.661 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.909 1.983 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.129 2.913 3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.607 1.983 3.986 1.00 0.00 H new ATOM 269 N VAL A 17 -12.720 -0.928 3.423 1.00 0.00 N ATOM 270 CA VAL A 17 -12.912 -1.694 2.203 1.00 0.00 C ATOM 271 C VAL A 17 -13.369 -3.109 2.561 1.00 0.00 C ATOM 272 O VAL A 17 -13.531 -3.435 3.736 1.00 0.00 O ATOM 273 CB VAL A 17 -11.633 -1.672 1.364 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.217 -0.236 1.035 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.502 -2.422 2.071 1.00 0.00 C ATOM 0 H VAL A 17 -12.291 -1.447 4.189 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.694 -1.246 1.590 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.839 -2.184 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.305 -0.249 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.012 0.253 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.037 0.312 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.604 -2.392 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.298 -1.950 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.797 -3.459 2.231 1.00 0.00 H new ATOM 285 N GLU A 18 -13.563 -3.913 1.526 1.00 0.00 N ATOM 286 CA GLU A 18 -13.998 -5.286 1.716 1.00 0.00 C ATOM 287 C GLU A 18 -12.845 -6.253 1.436 1.00 0.00 C ATOM 288 O GLU A 18 -11.930 -5.928 0.680 1.00 0.00 O ATOM 289 CB GLU A 18 -15.208 -5.606 0.835 1.00 0.00 C ATOM 290 CG GLU A 18 -16.515 -5.403 1.602 1.00 0.00 C ATOM 291 CD GLU A 18 -16.944 -6.693 2.306 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.642 -7.493 1.646 1.00 0.00 O ATOM 293 OE2 GLU A 18 -16.564 -6.849 3.487 1.00 0.00 O ATOM 0 H GLU A 18 -13.427 -3.640 0.553 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.304 -5.408 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.198 -4.967 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.144 -6.636 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.390 -4.608 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.298 -5.082 0.915 1.00 0.00 H new ATOM 300 N PRO A 19 -12.930 -7.449 2.076 1.00 0.00 N ATOM 301 CA PRO A 19 -11.904 -8.464 1.904 1.00 0.00 C ATOM 302 C PRO A 19 -12.030 -9.145 0.539 1.00 0.00 C ATOM 303 O PRO A 19 -11.114 -9.839 0.101 1.00 0.00 O ATOM 304 CB PRO A 19 -12.099 -9.423 3.067 1.00 0.00 C ATOM 305 CG PRO A 19 -13.508 -9.173 3.581 1.00 0.00 C ATOM 306 CD PRO A 19 -13.998 -7.867 2.977 1.00 0.00 C ATOM 0 HA PRO A 19 -10.896 -8.049 1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.978 -10.457 2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.361 -9.244 3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.168 -9.994 3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.513 -9.116 4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.936 -8.007 2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.181 -7.119 3.748 1.00 0.00 H new ATOM 314 N SER A 20 -13.173 -8.923 -0.093 1.00 0.00 N ATOM 315 CA SER A 20 -13.431 -9.507 -1.399 1.00 0.00 C ATOM 316 C SER A 20 -12.930 -8.570 -2.499 1.00 0.00 C ATOM 317 O SER A 20 -12.664 -9.007 -3.618 1.00 0.00 O ATOM 318 CB SER A 20 -14.922 -9.797 -1.586 1.00 0.00 C ATOM 319 OG SER A 20 -15.143 -10.986 -2.339 1.00 0.00 O ATOM 0 H SER A 20 -13.931 -8.347 0.274 1.00 0.00 H new ATOM 0 HA SER A 20 -12.893 -10.453 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.398 -9.892 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.395 -8.955 -2.091 1.00 0.00 H new ATOM 0 HG SER A 20 -16.106 -11.138 -2.435 1.00 0.00 H new ATOM 325 N ASP A 21 -12.816 -7.299 -2.144 1.00 0.00 N ATOM 326 CA ASP A 21 -12.352 -6.297 -3.087 1.00 0.00 C ATOM 327 C ASP A 21 -10.898 -6.591 -3.463 1.00 0.00 C ATOM 328 O ASP A 21 -10.145 -7.143 -2.661 1.00 0.00 O ATOM 329 CB ASP A 21 -12.408 -4.896 -2.476 1.00 0.00 C ATOM 330 CG ASP A 21 -13.773 -4.488 -1.918 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.759 -5.165 -2.280 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.798 -3.510 -1.141 1.00 0.00 O ATOM 0 H ASP A 21 -13.037 -6.940 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.000 -6.334 -3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.672 -4.836 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.112 -4.173 -3.236 1.00 0.00 H new ATOM 337 N THR A 22 -10.545 -6.209 -4.681 1.00 0.00 N ATOM 338 CA THR A 22 -9.195 -6.424 -5.172 1.00 0.00 C ATOM 339 C THR A 22 -8.279 -5.279 -4.736 1.00 0.00 C ATOM 340 O THR A 22 -8.748 -4.274 -4.201 1.00 0.00 O ATOM 341 CB THR A 22 -9.266 -6.602 -6.690 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.427 -5.276 -7.187 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.539 -7.324 -7.136 1.00 0.00 C ATOM 0 H THR A 22 -11.171 -5.751 -5.343 1.00 0.00 H new ATOM 0 HA THR A 22 -8.759 -7.327 -4.745 1.00 0.00 H new ATOM 0 HB THR A 22 -8.394 -7.160 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.480 -5.298 -8.165 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.539 -7.424 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.575 -8.313 -6.680 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.411 -6.749 -6.825 1.00 0.00 H new ATOM 351 N ILE A 23 -6.991 -5.466 -4.982 1.00 0.00 N ATOM 352 CA ILE A 23 -6.006 -4.461 -4.622 1.00 0.00 C ATOM 353 C ILE A 23 -6.267 -3.186 -5.426 1.00 0.00 C ATOM 354 O ILE A 23 -6.049 -2.081 -4.933 1.00 0.00 O ATOM 355 CB ILE A 23 -4.590 -5.014 -4.789 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.277 -6.057 -3.713 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.558 -3.885 -4.809 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.391 -5.451 -2.313 1.00 0.00 C ATOM 0 H ILE A 23 -6.606 -6.300 -5.427 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.098 -4.198 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.533 -5.519 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.964 -6.898 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.271 -6.449 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.560 -4.306 -4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.770 -3.213 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.607 -3.330 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.164 -6.213 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.686 -4.626 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.405 -5.082 -2.158 1.00 0.00 H new ATOM 370 N GLU A 24 -6.731 -3.383 -6.652 1.00 0.00 N ATOM 371 CA GLU A 24 -7.025 -2.262 -7.529 1.00 0.00 C ATOM 372 C GLU A 24 -8.210 -1.460 -6.988 1.00 0.00 C ATOM 373 O GLU A 24 -8.224 -0.233 -7.073 1.00 0.00 O ATOM 374 CB GLU A 24 -7.294 -2.741 -8.957 1.00 0.00 C ATOM 375 CG GLU A 24 -7.411 -1.556 -9.920 1.00 0.00 C ATOM 376 CD GLU A 24 -8.877 -1.236 -10.218 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.491 -0.550 -9.374 1.00 0.00 O ATOM 378 OE2 GLU A 24 -9.349 -1.686 -11.285 1.00 0.00 O ATOM 0 H GLU A 24 -6.910 -4.301 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.153 -1.609 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.488 -3.400 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.213 -3.326 -8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.925 -0.682 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.889 -1.784 -10.849 1.00 0.00 H new ATOM 385 N ASN A 25 -9.175 -2.185 -6.442 1.00 0.00 N ATOM 386 CA ASN A 25 -10.361 -1.556 -5.887 1.00 0.00 C ATOM 387 C ASN A 25 -9.967 -0.725 -4.664 1.00 0.00 C ATOM 388 O ASN A 25 -10.378 0.427 -4.534 1.00 0.00 O ATOM 389 CB ASN A 25 -11.381 -2.605 -5.438 1.00 0.00 C ATOM 390 CG ASN A 25 -12.755 -1.970 -5.209 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.009 -1.324 -4.207 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.622 -2.190 -6.193 1.00 0.00 N ATOM 0 H ASN A 25 -9.160 -3.202 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.805 -0.929 -6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.459 -3.388 -6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.038 -3.081 -4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.566 -1.808 -6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.343 -2.741 -7.005 1.00 0.00 H new ATOM 399 N VAL A 26 -9.176 -1.342 -3.799 1.00 0.00 N ATOM 400 CA VAL A 26 -8.722 -0.673 -2.592 1.00 0.00 C ATOM 401 C VAL A 26 -7.850 0.523 -2.974 1.00 0.00 C ATOM 402 O VAL A 26 -7.949 1.588 -2.366 1.00 0.00 O ATOM 403 CB VAL A 26 -8.004 -1.670 -1.680 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.539 -0.995 -0.389 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.894 -2.877 -1.378 1.00 0.00 C ATOM 0 H VAL A 26 -8.838 -2.298 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.571 -0.288 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.120 -2.030 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.032 -1.726 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.852 -0.184 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.402 -0.594 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.359 -3.570 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.805 -2.542 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.153 -3.380 -2.310 1.00 0.00 H new ATOM 415 N LYS A 27 -7.015 0.310 -3.980 1.00 0.00 N ATOM 416 CA LYS A 27 -6.125 1.358 -4.451 1.00 0.00 C ATOM 417 C LYS A 27 -6.956 2.498 -5.041 1.00 0.00 C ATOM 418 O LYS A 27 -6.649 3.670 -4.827 1.00 0.00 O ATOM 419 CB LYS A 27 -5.089 0.786 -5.421 1.00 0.00 C ATOM 420 CG LYS A 27 -3.920 0.152 -4.664 1.00 0.00 C ATOM 421 CD LYS A 27 -2.937 -0.512 -5.630 1.00 0.00 C ATOM 422 CE LYS A 27 -1.497 -0.369 -5.133 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.032 -1.635 -4.522 1.00 0.00 N ATOM 0 H LYS A 27 -6.936 -0.574 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.554 1.775 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.559 0.040 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.719 1.578 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.403 0.914 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.298 -0.588 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.185 -1.568 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.031 -0.060 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.845 -0.098 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.436 0.438 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.019 -1.561 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.568 -1.817 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.182 -2.418 -5.189 1.00 0.00 H new ATOM 437 N ALA A 28 -7.993 2.116 -5.772 1.00 0.00 N ATOM 438 CA ALA A 28 -8.870 3.093 -6.395 1.00 0.00 C ATOM 439 C ALA A 28 -9.516 3.957 -5.310 1.00 0.00 C ATOM 440 O ALA A 28 -9.642 5.170 -5.470 1.00 0.00 O ATOM 441 CB ALA A 28 -9.906 2.371 -7.259 1.00 0.00 C ATOM 0 H ALA A 28 -8.246 1.143 -5.947 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.304 3.755 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.564 3.104 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.397 1.795 -8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.496 1.700 -6.635 1.00 0.00 H new ATOM 447 N LYS A 29 -9.908 3.298 -4.228 1.00 0.00 N ATOM 448 CA LYS A 29 -10.537 3.991 -3.117 1.00 0.00 C ATOM 449 C LYS A 29 -9.539 4.975 -2.505 1.00 0.00 C ATOM 450 O LYS A 29 -9.894 6.113 -2.198 1.00 0.00 O ATOM 451 CB LYS A 29 -11.105 2.986 -2.113 1.00 0.00 C ATOM 452 CG LYS A 29 -12.611 3.187 -1.928 1.00 0.00 C ATOM 453 CD LYS A 29 -13.267 1.926 -1.360 1.00 0.00 C ATOM 454 CE LYS A 29 -14.192 2.268 -0.191 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.039 1.105 0.158 1.00 0.00 N ATOM 0 H LYS A 29 -9.802 2.292 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.389 4.576 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.910 1.971 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.599 3.099 -1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.790 4.028 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.068 3.440 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.835 1.423 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.497 1.230 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.599 2.566 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.822 3.118 -0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.035 1.401 0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.926 0.365 -0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.751 0.732 1.085 1.00 0.00 H new ATOM 469 N ILE A 30 -8.312 4.502 -2.344 1.00 0.00 N ATOM 470 CA ILE A 30 -7.262 5.327 -1.773 1.00 0.00 C ATOM 471 C ILE A 30 -6.977 6.503 -2.710 1.00 0.00 C ATOM 472 O ILE A 30 -6.653 7.599 -2.254 1.00 0.00 O ATOM 473 CB ILE A 30 -6.027 4.480 -1.457 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.330 3.459 -0.359 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.831 5.365 -1.104 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.339 2.293 -0.406 1.00 0.00 C ATOM 0 H ILE A 30 -8.022 3.558 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.584 5.748 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.758 3.919 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.281 3.943 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.346 3.083 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.967 4.738 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.601 6.018 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.072 5.971 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.577 1.582 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.407 1.796 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.326 2.670 -0.263 1.00 0.00 H new ATOM 488 N GLN A 31 -7.108 6.235 -4.001 1.00 0.00 N ATOM 489 CA GLN A 31 -6.868 7.257 -5.005 1.00 0.00 C ATOM 490 C GLN A 31 -7.905 8.376 -4.881 1.00 0.00 C ATOM 491 O GLN A 31 -7.550 9.534 -4.668 1.00 0.00 O ATOM 492 CB GLN A 31 -6.877 6.656 -6.412 1.00 0.00 C ATOM 493 CG GLN A 31 -6.694 7.743 -7.474 1.00 0.00 C ATOM 494 CD GLN A 31 -7.051 7.215 -8.864 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.221 6.027 -9.081 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.156 8.164 -9.792 1.00 0.00 N ATOM 0 H GLN A 31 -7.377 5.325 -4.375 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.879 7.683 -4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.080 5.918 -6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.818 6.132 -6.581 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.323 8.601 -7.234 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.662 8.093 -7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.001 9.141 -9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.392 7.914 -10.752 1.00 0.00 H new ATOM 505 N ASP A 32 -9.165 7.990 -5.019 1.00 0.00 N ATOM 506 CA ASP A 32 -10.255 8.946 -4.925 1.00 0.00 C ATOM 507 C ASP A 32 -10.212 9.629 -3.556 1.00 0.00 C ATOM 508 O ASP A 32 -10.653 10.768 -3.413 1.00 0.00 O ATOM 509 CB ASP A 32 -11.611 8.251 -5.064 1.00 0.00 C ATOM 510 CG ASP A 32 -12.547 8.865 -6.107 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.360 10.064 -6.402 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.430 8.120 -6.585 1.00 0.00 O ATOM 0 H ASP A 32 -9.455 7.028 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.137 9.671 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.442 7.205 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.111 8.265 -4.096 1.00 0.00 H new ATOM 517 N LYS A 33 -9.676 8.903 -2.585 1.00 0.00 N ATOM 518 CA LYS A 33 -9.569 9.425 -1.234 1.00 0.00 C ATOM 519 C LYS A 33 -8.429 10.442 -1.172 1.00 0.00 C ATOM 520 O LYS A 33 -8.669 11.647 -1.114 1.00 0.00 O ATOM 521 CB LYS A 33 -9.429 8.281 -0.228 1.00 0.00 C ATOM 522 CG LYS A 33 -9.517 8.800 1.209 1.00 0.00 C ATOM 523 CD LYS A 33 -10.887 8.498 1.819 1.00 0.00 C ATOM 524 CE LYS A 33 -10.876 8.726 3.332 1.00 0.00 C ATOM 525 NZ LYS A 33 -12.097 9.447 3.756 1.00 0.00 N ATOM 0 H LYS A 33 -9.312 7.958 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.481 9.953 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.212 7.543 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.475 7.775 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.736 8.339 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.338 9.875 1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.643 9.134 1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.165 7.466 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.813 7.769 3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.992 9.299 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.074 9.594 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.140 10.369 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.936 8.886 3.505 1.00 0.00 H new ATOM 539 N GLU A 34 -7.211 9.919 -1.186 1.00 0.00 N ATOM 540 CA GLU A 34 -6.032 10.766 -1.132 1.00 0.00 C ATOM 541 C GLU A 34 -5.899 11.574 -2.425 1.00 0.00 C ATOM 542 O GLU A 34 -5.919 12.803 -2.398 1.00 0.00 O ATOM 543 CB GLU A 34 -4.773 9.937 -0.872 1.00 0.00 C ATOM 544 CG GLU A 34 -4.161 10.282 0.488 1.00 0.00 C ATOM 545 CD GLU A 34 -3.357 11.581 0.415 1.00 0.00 C ATOM 546 OE1 GLU A 34 -2.673 11.768 -0.614 1.00 0.00 O ATOM 547 OE2 GLU A 34 -3.445 12.357 1.390 1.00 0.00 O ATOM 0 H GLU A 34 -7.016 8.919 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.147 11.462 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.019 8.876 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.043 10.120 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.952 10.381 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.515 9.468 0.817 1.00 0.00 H new ATOM 554 N GLY A 35 -5.767 10.849 -3.526 1.00 0.00 N ATOM 555 CA GLY A 35 -5.630 11.483 -4.827 1.00 0.00 C ATOM 556 C GLY A 35 -4.447 10.898 -5.601 1.00 0.00 C ATOM 557 O GLY A 35 -4.217 11.256 -6.755 1.00 0.00 O ATOM 0 H GLY A 35 -5.752 9.829 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.547 11.347 -5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.490 12.556 -4.699 1.00 0.00 H new ATOM 561 N ILE A 36 -3.727 10.008 -4.934 1.00 0.00 N ATOM 562 CA ILE A 36 -2.572 9.370 -5.544 1.00 0.00 C ATOM 563 C ILE A 36 -3.046 8.255 -6.478 1.00 0.00 C ATOM 564 O ILE A 36 -3.987 7.529 -6.158 1.00 0.00 O ATOM 565 CB ILE A 36 -1.592 8.897 -4.470 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.024 10.082 -3.685 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.486 8.033 -5.079 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.705 9.683 -2.243 1.00 0.00 C ATOM 0 H ILE A 36 -3.921 9.713 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.019 10.085 -6.154 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.137 8.272 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.120 10.447 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.742 10.903 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.197 7.710 -4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.929 7.159 -5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.062 8.614 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.303 10.543 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.615 9.342 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.031 8.879 -2.242 1.00 0.00 H new ATOM 580 N PRO A 37 -2.355 8.151 -7.645 1.00 0.00 N ATOM 581 CA PRO A 37 -2.695 7.135 -8.627 1.00 0.00 C ATOM 582 C PRO A 37 -2.214 5.755 -8.178 1.00 0.00 C ATOM 583 O PRO A 37 -1.277 5.645 -7.390 1.00 0.00 O ATOM 584 CB PRO A 37 -2.041 7.603 -9.917 1.00 0.00 C ATOM 585 CG PRO A 37 -0.979 8.608 -9.505 1.00 0.00 C ATOM 586 CD PRO A 37 -1.236 8.992 -8.058 1.00 0.00 C ATOM 0 HA PRO A 37 -3.771 7.020 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.598 6.766 -10.456 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.773 8.060 -10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.016 8.178 -9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.018 9.489 -10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.357 8.814 -7.439 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.481 10.050 -7.967 1.00 0.00 H new ATOM 594 N PRO A 38 -2.897 4.706 -8.713 1.00 0.00 N ATOM 595 CA PRO A 38 -2.548 3.337 -8.376 1.00 0.00 C ATOM 596 C PRO A 38 -1.263 2.907 -9.086 1.00 0.00 C ATOM 597 O PRO A 38 -0.586 1.977 -8.645 1.00 0.00 O ATOM 598 CB PRO A 38 -3.756 2.511 -8.785 1.00 0.00 C ATOM 599 CG PRO A 38 -4.543 3.376 -9.758 1.00 0.00 C ATOM 600 CD PRO A 38 -4.012 4.797 -9.650 1.00 0.00 C ATOM 0 HA PRO A 38 -2.333 3.207 -7.315 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.449 1.576 -9.254 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.362 2.249 -7.918 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.432 3.003 -10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.607 3.346 -9.521 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.685 5.172 -10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.780 5.480 -9.287 1.00 0.00 H new ATOM 608 N ASP A 39 -0.963 3.604 -10.172 1.00 0.00 N ATOM 609 CA ASP A 39 0.230 3.306 -10.947 1.00 0.00 C ATOM 610 C ASP A 39 1.469 3.690 -10.136 1.00 0.00 C ATOM 611 O ASP A 39 2.503 3.028 -10.223 1.00 0.00 O ATOM 612 CB ASP A 39 0.253 4.104 -12.252 1.00 0.00 C ATOM 613 CG ASP A 39 -0.857 3.751 -13.245 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.930 3.323 -12.769 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.606 3.918 -14.458 1.00 0.00 O ATOM 0 H ASP A 39 -1.525 4.374 -10.534 1.00 0.00 H new ATOM 0 HA ASP A 39 0.225 2.240 -11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.182 5.165 -12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.217 3.950 -12.738 1.00 0.00 H new ATOM 620 N GLN A 40 1.325 4.758 -9.366 1.00 0.00 N ATOM 621 CA GLN A 40 2.419 5.239 -8.540 1.00 0.00 C ATOM 622 C GLN A 40 2.222 4.798 -7.089 1.00 0.00 C ATOM 623 O GLN A 40 2.960 5.224 -6.201 1.00 0.00 O ATOM 624 CB GLN A 40 2.553 6.760 -8.637 1.00 0.00 C ATOM 625 CG GLN A 40 3.590 7.152 -9.692 1.00 0.00 C ATOM 626 CD GLN A 40 3.180 6.649 -11.078 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.230 7.120 -11.682 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.948 5.668 -11.546 1.00 0.00 N ATOM 0 H GLN A 40 0.466 5.304 -9.297 1.00 0.00 H new ATOM 0 HA GLN A 40 3.346 4.802 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.588 7.198 -8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.843 7.166 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.701 8.236 -9.713 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.562 6.737 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.728 5.320 -10.988 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.757 5.264 -12.463 1.00 0.00 H new ATOM 637 N GLN A 41 1.223 3.950 -6.891 1.00 0.00 N ATOM 638 CA GLN A 41 0.919 3.448 -5.562 1.00 0.00 C ATOM 639 C GLN A 41 1.636 2.117 -5.321 1.00 0.00 C ATOM 640 O GLN A 41 1.581 1.218 -6.159 1.00 0.00 O ATOM 641 CB GLN A 41 -0.590 3.301 -5.363 1.00 0.00 C ATOM 642 CG GLN A 41 -0.989 3.640 -3.925 1.00 0.00 C ATOM 643 CD GLN A 41 -2.508 3.775 -3.795 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.164 3.037 -3.080 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.028 4.759 -4.525 1.00 0.00 N ATOM 0 H GLN A 41 0.614 3.598 -7.629 1.00 0.00 H new ATOM 0 HA GLN A 41 1.280 4.171 -4.830 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.117 3.958 -6.055 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.894 2.281 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.630 2.862 -3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.510 4.571 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.421 5.341 -5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.033 4.931 -4.506 1.00 0.00 H new ATOM 654 N ARG A 42 2.293 2.034 -4.173 1.00 0.00 N ATOM 655 CA ARG A 42 3.019 0.829 -3.813 1.00 0.00 C ATOM 656 C ARG A 42 2.714 0.438 -2.365 1.00 0.00 C ATOM 657 O ARG A 42 3.299 0.987 -1.433 1.00 0.00 O ATOM 658 CB ARG A 42 4.528 1.028 -3.971 1.00 0.00 C ATOM 659 CG ARG A 42 5.143 -0.095 -4.810 1.00 0.00 C ATOM 660 CD ARG A 42 6.599 -0.344 -4.411 1.00 0.00 C ATOM 661 NE ARG A 42 7.472 -0.263 -5.603 1.00 0.00 N ATOM 662 CZ ARG A 42 8.756 -0.645 -5.623 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.324 -1.138 -4.513 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.471 -0.536 -6.750 1.00 0.00 N ATOM 0 H ARG A 42 2.337 2.782 -3.481 1.00 0.00 H new ATOM 0 HA ARG A 42 2.695 0.034 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.724 1.990 -4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.000 1.054 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.565 -1.010 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.092 0.166 -5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.912 0.391 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.694 -1.325 -3.946 1.00 0.00 H new ATOM 0 HE ARG A 42 7.071 0.107 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.779 -1.222 -3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.301 -1.429 -4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.038 -0.162 -7.594 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.448 -0.827 -6.764 1.00 0.00 H new ATOM 678 N LEU A 43 1.796 -0.507 -2.222 1.00 0.00 N ATOM 679 CA LEU A 43 1.405 -0.978 -0.905 1.00 0.00 C ATOM 680 C LEU A 43 2.169 -2.264 -0.580 1.00 0.00 C ATOM 681 O LEU A 43 2.078 -3.246 -1.315 1.00 0.00 O ATOM 682 CB LEU A 43 -0.115 -1.126 -0.817 1.00 0.00 C ATOM 683 CG LEU A 43 -0.935 -0.091 -1.592 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.434 -0.327 -1.400 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.524 1.332 -1.208 1.00 0.00 C ATOM 0 H LEU A 43 1.312 -0.959 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 43 1.674 -0.246 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.385 -2.119 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.405 -1.078 0.233 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.723 -0.211 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.995 0.421 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.695 -1.322 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.682 -0.249 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.121 2.048 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.689 1.483 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.531 1.480 -1.436 1.00 0.00 H new ATOM 697 N ILE A 44 2.903 -2.216 0.522 1.00 0.00 N ATOM 698 CA ILE A 44 3.681 -3.365 0.953 1.00 0.00 C ATOM 699 C ILE A 44 2.990 -4.026 2.146 1.00 0.00 C ATOM 700 O ILE A 44 2.441 -3.340 3.008 1.00 0.00 O ATOM 701 CB ILE A 44 5.130 -2.958 1.229 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.711 -2.168 0.055 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.984 -4.178 1.579 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.477 -0.938 0.548 1.00 0.00 C ATOM 0 H ILE A 44 2.975 -1.400 1.129 1.00 0.00 H new ATOM 0 HA ILE A 44 3.729 -4.111 0.160 1.00 0.00 H new ATOM 0 HB ILE A 44 5.141 -2.298 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.377 -2.808 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.907 -1.857 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.009 -3.862 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.581 -4.661 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.971 -4.882 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.880 -0.394 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.802 -0.289 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.295 -1.254 1.195 1.00 0.00 H new ATOM 716 N PHE A 45 3.038 -5.349 2.160 1.00 0.00 N ATOM 717 CA PHE A 45 2.422 -6.111 3.234 1.00 0.00 C ATOM 718 C PHE A 45 3.072 -7.489 3.372 1.00 0.00 C ATOM 719 O PHE A 45 3.127 -8.253 2.410 1.00 0.00 O ATOM 720 CB PHE A 45 0.948 -6.291 2.866 1.00 0.00 C ATOM 721 CG PHE A 45 0.022 -6.464 4.073 1.00 0.00 C ATOM 722 CD1 PHE A 45 -0.047 -5.492 5.021 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.729 -7.590 4.196 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.906 -5.652 6.141 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.589 -7.751 5.315 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.658 -6.778 6.264 1.00 0.00 C ATOM 0 H PHE A 45 3.494 -5.914 1.444 1.00 0.00 H new ATOM 0 HA PHE A 45 2.544 -5.585 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.620 -5.426 2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.850 -7.162 2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.551 -4.598 4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.672 -8.362 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.962 -4.880 6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.188 -8.645 5.413 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.311 -6.900 7.116 1.00 0.00 H new ATOM 736 N ALA A 46 3.549 -7.763 4.577 1.00 0.00 N ATOM 737 CA ALA A 46 4.194 -9.036 4.854 1.00 0.00 C ATOM 738 C ALA A 46 5.432 -9.179 3.968 1.00 0.00 C ATOM 739 O ALA A 46 5.895 -10.290 3.716 1.00 0.00 O ATOM 740 CB ALA A 46 3.191 -10.173 4.644 1.00 0.00 C ATOM 0 H ALA A 46 3.502 -7.126 5.372 1.00 0.00 H new ATOM 0 HA ALA A 46 4.525 -9.081 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.674 -11.128 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.345 -10.041 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.839 -10.162 3.613 1.00 0.00 H new ATOM 746 N GLY A 47 5.935 -8.038 3.519 1.00 0.00 N ATOM 747 CA GLY A 47 7.110 -8.022 2.667 1.00 0.00 C ATOM 748 C GLY A 47 6.731 -8.261 1.204 1.00 0.00 C ATOM 749 O GLY A 47 7.589 -8.234 0.323 1.00 0.00 O ATOM 0 H GLY A 47 5.549 -7.118 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.619 -7.063 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.811 -8.789 2.995 1.00 0.00 H new ATOM 753 N LYS A 48 5.444 -8.490 0.989 1.00 0.00 N ATOM 754 CA LYS A 48 4.940 -8.734 -0.351 1.00 0.00 C ATOM 755 C LYS A 48 4.141 -7.516 -0.820 1.00 0.00 C ATOM 756 O LYS A 48 3.352 -6.956 -0.060 1.00 0.00 O ATOM 757 CB LYS A 48 4.149 -10.043 -0.396 1.00 0.00 C ATOM 758 CG LYS A 48 4.120 -10.617 -1.814 1.00 0.00 C ATOM 759 CD LYS A 48 3.082 -11.734 -1.932 1.00 0.00 C ATOM 760 CE LYS A 48 2.856 -12.120 -3.396 1.00 0.00 C ATOM 761 NZ LYS A 48 3.577 -13.372 -3.718 1.00 0.00 N ATOM 0 H LYS A 48 4.735 -8.512 1.722 1.00 0.00 H new ATOM 0 HA LYS A 48 5.765 -8.863 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.598 -10.767 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.130 -9.869 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.889 -9.825 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.106 -11.003 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.415 -12.606 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.141 -11.409 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.790 -12.248 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.200 -11.317 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.414 -13.620 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.596 -13.237 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.229 -14.140 -3.109 1.00 0.00 H new ATOM 775 N GLN A 49 4.371 -7.143 -2.070 1.00 0.00 N ATOM 776 CA GLN A 49 3.683 -6.002 -2.649 1.00 0.00 C ATOM 777 C GLN A 49 2.310 -6.423 -3.178 1.00 0.00 C ATOM 778 O GLN A 49 2.177 -7.475 -3.801 1.00 0.00 O ATOM 779 CB GLN A 49 4.522 -5.357 -3.753 1.00 0.00 C ATOM 780 CG GLN A 49 4.652 -6.290 -4.959 1.00 0.00 C ATOM 781 CD GLN A 49 5.668 -5.748 -5.966 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.870 -5.806 -5.765 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.121 -5.220 -7.057 1.00 0.00 N ATOM 0 H GLN A 49 5.024 -7.611 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 49 3.537 -5.256 -1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.062 -4.418 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.512 -5.115 -3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.959 -7.281 -4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.681 -6.403 -5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.107 -5.204 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.716 -4.832 -7.789 1.00 0.00 H new ATOM 792 N LEU A 50 1.324 -5.579 -2.911 1.00 0.00 N ATOM 793 CA LEU A 50 -0.033 -5.850 -3.352 1.00 0.00 C ATOM 794 C LEU A 50 -0.116 -5.677 -4.870 1.00 0.00 C ATOM 795 O LEU A 50 0.059 -4.572 -5.382 1.00 0.00 O ATOM 796 CB LEU A 50 -1.032 -4.987 -2.579 1.00 0.00 C ATOM 797 CG LEU A 50 -0.748 -4.807 -1.087 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.949 -4.187 -0.371 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.320 -6.129 -0.447 1.00 0.00 C ATOM 0 H LEU A 50 1.438 -4.707 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.304 -6.883 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.066 -4.002 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.023 -5.426 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 50 0.085 -4.112 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.720 -4.070 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.167 -3.211 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.816 -4.837 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.124 -5.973 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.116 -6.865 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.585 -6.492 -0.933 1.00 0.00 H new ATOM 811 N GLU A 51 -0.382 -6.784 -5.547 1.00 0.00 N ATOM 812 CA GLU A 51 -0.490 -6.768 -6.996 1.00 0.00 C ATOM 813 C GLU A 51 -1.924 -6.445 -7.418 1.00 0.00 C ATOM 814 O GLU A 51 -2.835 -7.242 -7.199 1.00 0.00 O ATOM 815 CB GLU A 51 -0.029 -8.099 -7.595 1.00 0.00 C ATOM 816 CG GLU A 51 1.281 -8.563 -6.955 1.00 0.00 C ATOM 817 CD GLU A 51 1.113 -9.934 -6.296 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.623 -10.845 -6.996 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.478 -10.039 -5.105 1.00 0.00 O ATOM 0 H GLU A 51 -0.526 -7.699 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 51 0.166 -5.987 -7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.799 -8.856 -7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.106 -7.990 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.063 -8.613 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.605 -7.835 -6.211 1.00 0.00 H new ATOM 826 N ASP A 52 -2.081 -5.273 -8.016 1.00 0.00 N ATOM 827 CA ASP A 52 -3.389 -4.834 -8.471 1.00 0.00 C ATOM 828 C ASP A 52 -4.069 -5.974 -9.233 1.00 0.00 C ATOM 829 O ASP A 52 -3.739 -6.235 -10.389 1.00 0.00 O ATOM 830 CB ASP A 52 -3.271 -3.638 -9.417 1.00 0.00 C ATOM 831 CG ASP A 52 -2.566 -2.415 -8.828 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.576 -2.630 -8.096 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.032 -1.294 -9.125 1.00 0.00 O ATOM 0 H ASP A 52 -1.324 -4.614 -8.196 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.970 -4.545 -7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.733 -3.953 -10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.272 -3.344 -9.734 1.00 0.00 H new ATOM 838 N GLY A 53 -5.004 -6.622 -8.554 1.00 0.00 N ATOM 839 CA GLY A 53 -5.732 -7.728 -9.153 1.00 0.00 C ATOM 840 C GLY A 53 -6.023 -8.817 -8.118 1.00 0.00 C ATOM 841 O GLY A 53 -6.854 -9.693 -8.351 1.00 0.00 O ATOM 0 H GLY A 53 -5.274 -6.403 -7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.668 -7.365 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.152 -8.148 -9.975 1.00 0.00 H new ATOM 845 N ARG A 54 -5.321 -8.727 -6.998 1.00 0.00 N ATOM 846 CA ARG A 54 -5.493 -9.693 -5.928 1.00 0.00 C ATOM 847 C ARG A 54 -6.455 -9.149 -4.870 1.00 0.00 C ATOM 848 O ARG A 54 -6.651 -7.939 -4.769 1.00 0.00 O ATOM 849 CB ARG A 54 -4.154 -10.027 -5.266 1.00 0.00 C ATOM 850 CG ARG A 54 -3.407 -11.107 -6.051 1.00 0.00 C ATOM 851 CD ARG A 54 -3.130 -12.329 -5.173 1.00 0.00 C ATOM 852 NE ARG A 54 -2.231 -13.267 -5.882 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.647 -14.184 -6.766 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.951 -14.292 -7.055 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.760 -14.993 -7.361 1.00 0.00 N ATOM 0 H ARG A 54 -4.632 -7.999 -6.809 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.906 -10.602 -6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.541 -9.128 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.324 -10.367 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.996 -11.404 -6.919 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.467 -10.704 -6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.675 -12.016 -4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.066 -12.828 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.232 -13.212 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.626 -13.676 -6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.268 -14.990 -7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.767 -14.911 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.077 -15.691 -8.034 1.00 0.00 H new ATOM 869 N THR A 55 -7.030 -10.069 -4.109 1.00 0.00 N ATOM 870 CA THR A 55 -7.968 -9.696 -3.063 1.00 0.00 C ATOM 871 C THR A 55 -7.242 -9.550 -1.725 1.00 0.00 C ATOM 872 O THR A 55 -6.289 -10.277 -1.449 1.00 0.00 O ATOM 873 CB THR A 55 -9.087 -10.740 -3.038 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.478 -11.887 -2.452 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.486 -11.204 -4.439 1.00 0.00 C ATOM 0 H THR A 55 -6.865 -11.072 -4.196 1.00 0.00 H new ATOM 0 HA THR A 55 -8.417 -8.723 -3.261 1.00 0.00 H new ATOM 0 HB THR A 55 -9.959 -10.326 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.134 -12.613 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.283 -11.944 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.837 -10.350 -5.019 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.623 -11.649 -4.934 1.00 0.00 H new ATOM 883 N LEU A 56 -7.721 -8.605 -0.928 1.00 0.00 N ATOM 884 CA LEU A 56 -7.131 -8.355 0.376 1.00 0.00 C ATOM 885 C LEU A 56 -7.080 -9.663 1.168 1.00 0.00 C ATOM 886 O LEU A 56 -6.099 -9.939 1.856 1.00 0.00 O ATOM 887 CB LEU A 56 -7.876 -7.229 1.094 1.00 0.00 C ATOM 888 CG LEU A 56 -7.900 -5.877 0.379 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.118 -5.054 0.801 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.590 -5.117 0.599 1.00 0.00 C ATOM 0 H LEU A 56 -8.511 -8.003 -1.161 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.103 -8.008 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.905 -7.549 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.424 -7.090 2.076 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.991 -6.059 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.110 -4.098 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.029 -5.597 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.084 -4.879 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.633 -4.159 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.443 -4.946 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.759 -5.704 0.208 1.00 0.00 H new ATOM 902 N SER A 57 -8.150 -10.434 1.043 1.00 0.00 N ATOM 903 CA SER A 57 -8.240 -11.707 1.739 1.00 0.00 C ATOM 904 C SER A 57 -7.133 -12.646 1.259 1.00 0.00 C ATOM 905 O SER A 57 -6.644 -13.478 2.021 1.00 0.00 O ATOM 906 CB SER A 57 -9.611 -12.353 1.530 1.00 0.00 C ATOM 907 OG SER A 57 -9.791 -13.503 2.353 1.00 0.00 O ATOM 0 H SER A 57 -8.962 -10.202 0.471 1.00 0.00 H new ATOM 0 HA SER A 57 -8.114 -11.523 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.392 -11.625 1.749 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.723 -12.635 0.483 1.00 0.00 H new ATOM 0 HG SER A 57 -10.679 -13.885 2.191 1.00 0.00 H new ATOM 913 N ASP A 58 -6.768 -12.481 -0.004 1.00 0.00 N ATOM 914 CA ASP A 58 -5.726 -13.304 -0.596 1.00 0.00 C ATOM 915 C ASP A 58 -4.403 -13.042 0.126 1.00 0.00 C ATOM 916 O ASP A 58 -3.470 -13.837 0.028 1.00 0.00 O ATOM 917 CB ASP A 58 -5.532 -12.967 -2.076 1.00 0.00 C ATOM 918 CG ASP A 58 -5.547 -14.170 -3.021 1.00 0.00 C ATOM 919 OD1 ASP A 58 -4.467 -14.776 -3.185 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.639 -14.457 -3.556 1.00 0.00 O ATOM 0 H ASP A 58 -7.175 -11.790 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.026 -14.348 -0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.317 -12.275 -2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.583 -12.444 -2.193 1.00 0.00 H new ATOM 925 N TYR A 59 -4.365 -11.922 0.835 1.00 0.00 N ATOM 926 CA TYR A 59 -3.171 -11.546 1.573 1.00 0.00 C ATOM 927 C TYR A 59 -3.358 -11.777 3.074 1.00 0.00 C ATOM 928 O TYR A 59 -2.478 -11.455 3.870 1.00 0.00 O ATOM 929 CB TYR A 59 -2.974 -10.050 1.321 1.00 0.00 C ATOM 930 CG TYR A 59 -2.447 -9.719 -0.077 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.101 -9.844 -0.356 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.318 -9.295 -1.061 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.606 -9.532 -1.671 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.823 -8.984 -2.376 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.491 -9.117 -2.617 1.00 0.00 C ATOM 936 OH TYR A 59 -1.024 -8.823 -3.859 1.00 0.00 O ATOM 0 H TYR A 59 -5.141 -11.264 0.914 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.317 -12.141 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.925 -9.538 1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.280 -9.655 2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.419 -10.176 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.371 -9.197 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.445 -9.625 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.494 -8.652 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.218 -9.350 -4.039 1.00 0.00 H new ATOM 946 N ASN A 60 -4.511 -12.333 3.415 1.00 0.00 N ATOM 947 CA ASN A 60 -4.825 -12.611 4.806 1.00 0.00 C ATOM 948 C ASN A 60 -4.691 -11.324 5.622 1.00 0.00 C ATOM 949 O ASN A 60 -3.962 -11.285 6.612 1.00 0.00 O ATOM 950 CB ASN A 60 -3.862 -13.646 5.393 1.00 0.00 C ATOM 951 CG ASN A 60 -4.572 -14.538 6.412 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.763 -14.790 6.334 1.00 0.00 O ATOM 953 ND2 ASN A 60 -3.775 -15.002 7.371 1.00 0.00 N ATOM 0 H ASN A 60 -5.239 -12.599 2.752 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.842 -13.000 4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.449 -14.260 4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.024 -13.139 5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.153 -15.608 8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.786 -14.752 7.378 1.00 0.00 H new ATOM 960 N ILE A 61 -5.406 -10.301 5.176 1.00 0.00 N ATOM 961 CA ILE A 61 -5.376 -9.015 5.853 1.00 0.00 C ATOM 962 C ILE A 61 -6.384 -9.026 7.004 1.00 0.00 C ATOM 963 O ILE A 61 -7.533 -9.424 6.822 1.00 0.00 O ATOM 964 CB ILE A 61 -5.595 -7.879 4.853 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.356 -7.669 3.981 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.016 -6.594 5.568 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.736 -7.080 2.620 1.00 0.00 C ATOM 0 H ILE A 61 -6.009 -10.337 4.354 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.394 -8.837 6.292 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.412 -8.162 4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.659 -7.002 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.842 -8.619 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.165 -5.802 4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.946 -6.767 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.237 -6.296 6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.837 -6.941 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.414 -7.761 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.228 -6.118 2.764 1.00 0.00 H new ATOM 979 N GLN A 62 -5.916 -8.584 8.162 1.00 0.00 N ATOM 980 CA GLN A 62 -6.763 -8.537 9.342 1.00 0.00 C ATOM 981 C GLN A 62 -7.360 -7.139 9.511 1.00 0.00 C ATOM 982 O GLN A 62 -6.841 -6.168 8.962 1.00 0.00 O ATOM 983 CB GLN A 62 -5.986 -8.956 10.591 1.00 0.00 C ATOM 984 CG GLN A 62 -5.203 -10.248 10.344 1.00 0.00 C ATOM 985 CD GLN A 62 -5.930 -11.453 10.947 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.455 -11.406 12.047 1.00 0.00 O ATOM 987 NE2 GLN A 62 -5.929 -12.530 10.167 1.00 0.00 N ATOM 0 H GLN A 62 -4.962 -8.255 8.308 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.580 -9.246 9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.299 -8.160 10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.677 -9.099 11.422 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.070 -10.398 9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.208 -10.163 10.780 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.470 -12.500 9.257 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.387 -13.386 10.479 1.00 0.00 H new ATOM 996 N LYS A 63 -8.444 -7.081 10.273 1.00 0.00 N ATOM 997 CA LYS A 63 -9.117 -5.818 10.521 1.00 0.00 C ATOM 998 C LYS A 63 -8.092 -4.780 10.980 1.00 0.00 C ATOM 999 O LYS A 63 -7.305 -5.040 11.889 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.277 -6.013 11.500 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.833 -6.824 12.720 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.806 -7.972 12.998 1.00 0.00 C ATOM 1003 CE LYS A 63 -10.608 -8.530 14.409 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.852 -8.396 15.198 1.00 0.00 N ATOM 0 H LYS A 63 -8.872 -7.889 10.726 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.565 -5.438 9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.654 -5.042 11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.099 -6.524 10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.833 -7.223 12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.774 -6.173 13.592 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.831 -7.620 12.883 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.657 -8.765 12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.316 -9.579 14.354 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.796 -7.999 14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.700 -8.779 16.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.114 -7.392 15.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.618 -8.923 14.731 1.00 0.00 H new ATOM 1018 N GLU A 64 -8.134 -3.626 10.331 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.218 -2.547 10.662 1.00 0.00 C ATOM 1020 C GLU A 64 -5.771 -3.038 10.585 1.00 0.00 C ATOM 1021 O GLU A 64 -5.018 -2.911 11.550 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.529 -1.968 12.042 1.00 0.00 C ATOM 1023 CG GLU A 64 -9.037 -1.788 12.235 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.545 -2.635 13.403 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.130 -3.811 13.474 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.337 -2.086 14.199 1.00 0.00 O ATOM 0 H GLU A 64 -8.788 -3.414 9.577 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.349 -1.748 9.932 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.136 -2.629 12.814 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.027 -1.008 12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.261 -0.737 12.419 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.560 -2.070 11.322 1.00 0.00 H new ATOM 1033 N SER A 65 -5.425 -3.587 9.431 1.00 0.00 N ATOM 1034 CA SER A 65 -4.083 -4.097 9.216 1.00 0.00 C ATOM 1035 C SER A 65 -3.103 -2.934 9.039 1.00 0.00 C ATOM 1036 O SER A 65 -3.518 -1.789 8.866 1.00 0.00 O ATOM 1037 CB SER A 65 -4.032 -5.022 7.999 1.00 0.00 C ATOM 1038 OG SER A 65 -4.507 -6.331 8.303 1.00 0.00 O ATOM 0 H SER A 65 -6.052 -3.690 8.633 1.00 0.00 H new ATOM 0 HA SER A 65 -3.795 -4.678 10.092 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.632 -4.596 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.007 -5.084 7.633 1.00 0.00 H new ATOM 0 HG SER A 65 -5.150 -6.283 9.041 1.00 0.00 H new ATOM 1044 N THR A 66 -1.822 -3.269 9.092 1.00 0.00 N ATOM 1045 CA THR A 66 -0.781 -2.267 8.940 1.00 0.00 C ATOM 1046 C THR A 66 -0.118 -2.391 7.566 1.00 0.00 C ATOM 1047 O THR A 66 0.733 -3.255 7.360 1.00 0.00 O ATOM 1048 CB THR A 66 0.199 -2.423 10.104 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.437 -1.748 11.186 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.496 -1.640 9.887 1.00 0.00 C ATOM 0 H THR A 66 -1.482 -4.219 9.238 1.00 0.00 H new ATOM 0 HA THR A 66 -1.194 -1.259 8.977 1.00 0.00 H new ATOM 0 HB THR A 66 0.432 -3.479 10.243 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.130 -1.802 11.984 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.156 -1.785 10.742 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.990 -1.997 8.983 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.267 -0.580 9.781 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.531 -1.514 6.664 1.00 0.00 N ATOM 1059 CA LEU A 67 0.012 -1.514 5.316 1.00 0.00 C ATOM 1060 C LEU A 67 0.916 -0.292 5.134 1.00 0.00 C ATOM 1061 O LEU A 67 0.701 0.742 5.765 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.114 -1.605 4.284 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.076 -2.784 4.443 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.065 -2.533 5.584 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.788 -3.091 3.125 1.00 0.00 C ATOM 0 H LEU A 67 -1.236 -0.798 6.840 1.00 0.00 H new ATOM 0 HA LEU A 67 0.632 -2.396 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.692 -0.682 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.667 -1.658 3.291 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.495 -3.667 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.738 -3.386 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.518 -2.400 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.645 -1.635 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.466 -3.933 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.356 -2.217 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.050 -3.342 2.363 1.00 0.00 H new ATOM 1077 N HIS A 68 1.908 -0.452 4.271 1.00 0.00 N ATOM 1078 CA HIS A 68 2.844 0.624 3.999 1.00 0.00 C ATOM 1079 C HIS A 68 2.567 1.207 2.611 1.00 0.00 C ATOM 1080 O HIS A 68 2.746 0.527 1.602 1.00 0.00 O ATOM 1081 CB HIS A 68 4.288 0.144 4.164 1.00 0.00 C ATOM 1082 CG HIS A 68 5.027 0.801 5.304 1.00 0.00 C ATOM 1083 ND1 HIS A 68 4.542 0.818 6.601 1.00 0.00 N ATOM 1084 CD2 HIS A 68 6.221 1.460 5.330 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.412 1.463 7.363 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.451 1.861 6.574 1.00 0.00 N ATOM 0 H HIS A 68 2.084 -1.312 3.751 1.00 0.00 H new ATOM 0 HA HIS A 68 2.704 1.424 4.725 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.286 -0.935 4.320 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.830 0.331 3.237 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.869 1.627 4.482 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.316 1.643 8.424 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.270 2.381 6.888 1.00 0.00 H new ATOM 1094 N LEU A 69 2.137 2.459 2.606 1.00 0.00 N ATOM 1095 CA LEU A 69 1.834 3.141 1.358 1.00 0.00 C ATOM 1096 C LEU A 69 3.062 3.931 0.903 1.00 0.00 C ATOM 1097 O LEU A 69 3.329 5.019 1.411 1.00 0.00 O ATOM 1098 CB LEU A 69 0.574 3.996 1.508 1.00 0.00 C ATOM 1099 CG LEU A 69 0.427 5.154 0.518 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.665 4.680 -0.918 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.931 5.842 0.677 1.00 0.00 C ATOM 0 H LEU A 69 1.991 3.020 3.445 1.00 0.00 H new ATOM 0 HA LEU A 69 1.610 2.419 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.296 3.347 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.554 4.403 2.519 1.00 0.00 H new ATOM 0 HG LEU A 69 1.192 5.897 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.555 5.522 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.672 4.272 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.062 3.909 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.010 6.661 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.728 5.121 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.024 6.234 1.690 1.00 0.00 H new ATOM 1113 N VAL A 70 3.777 3.353 -0.051 1.00 0.00 N ATOM 1114 CA VAL A 70 4.971 3.989 -0.582 1.00 0.00 C ATOM 1115 C VAL A 70 4.738 4.362 -2.046 1.00 0.00 C ATOM 1116 O VAL A 70 3.916 3.746 -2.724 1.00 0.00 O ATOM 1117 CB VAL A 70 6.183 3.076 -0.382 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.452 3.721 -0.942 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.358 2.711 1.094 1.00 0.00 C ATOM 0 H VAL A 70 3.552 2.451 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 70 5.184 4.912 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 70 6.003 2.154 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.299 3.052 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.326 3.906 -2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.637 4.665 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.226 2.062 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.505 3.619 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.468 2.192 1.448 1.00 0.00 H new ATOM 1129 N LEU A 71 5.474 5.368 -2.493 1.00 0.00 N ATOM 1130 CA LEU A 71 5.357 5.831 -3.865 1.00 0.00 C ATOM 1131 C LEU A 71 6.290 5.008 -4.757 1.00 0.00 C ATOM 1132 O LEU A 71 7.022 4.148 -4.268 1.00 0.00 O ATOM 1133 CB LEU A 71 5.603 7.339 -3.946 1.00 0.00 C ATOM 1134 CG LEU A 71 4.431 8.231 -3.530 1.00 0.00 C ATOM 1135 CD1 LEU A 71 3.199 7.957 -4.393 1.00 0.00 C ATOM 1136 CD2 LEU A 71 4.130 8.080 -2.036 1.00 0.00 C ATOM 0 H LEU A 71 6.155 5.876 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 71 4.343 5.677 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.460 7.582 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.878 7.588 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 71 4.716 9.269 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.381 8.604 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.435 8.156 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.901 6.915 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.293 8.724 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.874 7.043 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.009 8.365 -1.457 1.00 0.00 H new ATOM 1148 N ARG A 72 6.232 5.300 -6.048 1.00 0.00 N ATOM 1149 CA ARG A 72 7.062 4.597 -7.011 1.00 0.00 C ATOM 1150 C ARG A 72 8.388 5.334 -7.206 1.00 0.00 C ATOM 1151 O ARG A 72 8.521 6.495 -6.821 1.00 0.00 O ATOM 1152 CB ARG A 72 6.353 4.474 -8.362 1.00 0.00 C ATOM 1153 CG ARG A 72 5.648 3.122 -8.488 1.00 0.00 C ATOM 1154 CD ARG A 72 6.092 2.388 -9.756 1.00 0.00 C ATOM 1155 NE ARG A 72 6.107 0.928 -9.516 1.00 0.00 N ATOM 1156 CZ ARG A 72 6.111 0.006 -10.489 1.00 0.00 C ATOM 1157 NH1 ARG A 72 6.102 0.389 -11.774 1.00 0.00 N ATOM 1158 NH2 ARG A 72 6.125 -1.297 -10.177 1.00 0.00 N ATOM 0 H ARG A 72 5.623 6.013 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 72 7.251 3.598 -6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.626 5.279 -8.470 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.077 4.588 -9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.868 2.510 -7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.568 3.271 -8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.416 2.623 -10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.085 2.726 -10.053 1.00 0.00 H new ATOM 0 HE ARG A 72 6.115 0.603 -8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.092 1.381 -12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.105 -0.312 -12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.133 -1.587 -9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.128 -1.999 -10.917 1.00 0.00 H new ATOM 1172 N LEU A 73 9.339 4.629 -7.803 1.00 0.00 N ATOM 1173 CA LEU A 73 10.651 5.202 -8.053 1.00 0.00 C ATOM 1174 C LEU A 73 10.587 6.088 -9.299 1.00 0.00 C ATOM 1175 O LEU A 73 10.758 7.302 -9.211 1.00 0.00 O ATOM 1176 CB LEU A 73 11.709 4.100 -8.135 1.00 0.00 C ATOM 1177 CG LEU A 73 12.440 3.773 -6.831 1.00 0.00 C ATOM 1178 CD1 LEU A 73 12.468 2.264 -6.581 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.843 4.382 -6.821 1.00 0.00 C ATOM 0 H LEU A 73 9.227 3.666 -8.121 1.00 0.00 H new ATOM 0 HA LEU A 73 10.953 5.841 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.230 3.190 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.449 4.390 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 73 11.887 4.225 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.993 2.059 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.447 1.887 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.983 1.768 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.340 4.134 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.420 3.981 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.770 5.465 -6.918 1.00 0.00 H new ATOM 1191 N ARG A 74 10.340 5.445 -10.430 1.00 0.00 N ATOM 1192 CA ARG A 74 10.252 6.158 -11.693 1.00 0.00 C ATOM 1193 C ARG A 74 8.810 6.601 -11.953 1.00 0.00 C ATOM 1194 O ARG A 74 8.056 6.854 -11.014 1.00 0.00 O ATOM 1195 CB ARG A 74 10.726 5.284 -12.855 1.00 0.00 C ATOM 1196 CG ARG A 74 11.445 6.123 -13.914 1.00 0.00 C ATOM 1197 CD ARG A 74 12.961 5.933 -13.828 1.00 0.00 C ATOM 1198 NE ARG A 74 13.600 7.176 -13.340 1.00 0.00 N ATOM 1199 CZ ARG A 74 14.862 7.247 -12.896 1.00 0.00 C ATOM 1200 NH1 ARG A 74 15.628 6.148 -12.875 1.00 0.00 N ATOM 1201 NH2 ARG A 74 15.358 8.417 -12.472 1.00 0.00 N ATOM 0 H ARG A 74 10.198 4.437 -10.499 1.00 0.00 H new ATOM 0 HA ARG A 74 10.899 7.033 -11.625 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.397 4.510 -12.482 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.873 4.777 -13.305 1.00 0.00 H new ATOM 0 HG2 ARG A 74 11.095 5.840 -14.907 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.199 7.176 -13.778 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.195 5.106 -13.157 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.359 5.670 -14.808 1.00 0.00 H new ATOM 0 HE ARG A 74 13.045 8.032 -13.342 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.250 5.257 -13.197 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.589 6.202 -12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 74 14.775 9.254 -12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.319 8.471 -12.134 1.00 0.00 H new ATOM 1215 N GLY A 75 8.469 6.679 -13.232 1.00 0.00 N ATOM 1216 CA GLY A 75 7.132 7.086 -13.626 1.00 0.00 C ATOM 1217 C GLY A 75 6.536 6.103 -14.635 1.00 0.00 C ATOM 1218 O GLY A 75 6.155 4.990 -14.274 1.00 0.00 O ATOM 0 H GLY A 75 9.096 6.467 -14.008 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.491 7.143 -12.746 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.165 8.085 -14.062 1.00 0.00 H new ATOM 1222 N GLY A 76 6.474 6.549 -15.882 1.00 0.00 N ATOM 1223 CA GLY A 76 5.930 5.722 -16.946 1.00 0.00 C ATOM 1224 C GLY A 76 5.444 6.583 -18.114 1.00 0.00 C ATOM 1225 O GLY A 76 4.859 7.645 -17.906 1.00 0.00 O ATOM 0 H GLY A 76 6.791 7.472 -16.179 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.692 5.025 -17.295 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.104 5.125 -16.561 1.00 0.00 H new TER 1229 GLY A 76