USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 656 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 80 SER OG : rot 180:sc= -0.766 USER MOD Set 1.2: A 89 SER OG : rot -119:sc= -1.18 USER MOD Set 2.1: A 13 GLN :FLIP amide:sc= -0.43 F(o=-1.4,f=-0.42) USER MOD Set 2.2: A 88 SER OG : rot -80:sc= 0.0145 USER MOD Single : A 9 MET CE :methyl 144:sc= -1.07 (180deg=-2.91!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0.243 (180deg=0.166) USER MOD Single : A 17 THR OG1 : rot 38:sc= 0.0381 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc=-0.00735 USER MOD Single : A 29 CYS SG : rot -110:sc= -0.498 USER MOD Single : A 32 SER OG : rot 160:sc= 0.363 USER MOD Single : A 37 ASN : amide:sc= -1.47! C(o=-1.5!,f=-5.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -7.08! C(o=-7.1!,f=-14!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -106:sc= -1.83 (180deg=-3.83!) USER MOD Single : A 64 HIS : no HD1:sc= -4.04 X(o=-4,f=-4.2!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.423) USER MOD Single : A 79 TYR OH : rot -26:sc= 0.672 USER MOD Single : A 82 MET CE :methyl 150:sc= -0.2 (180deg=-1.7!) USER MOD Single : A 83 THR OG1 : rot 130:sc= 0.764 USER MOD Single : A 84 THR OG1 : rot 151:sc= -0.591 USER MOD Single : A 87 GLN : amide:sc= -2.39! C(o=-2.4!,f=-4.2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.461 -2.878 -2.144 1.00 0.00 N ATOM 60 CA GLY A 7 -19.026 -2.752 -2.319 1.00 0.00 C ATOM 61 C GLY A 7 -18.365 -2.013 -1.172 1.00 0.00 C ATOM 62 O GLY A 7 -19.034 -1.325 -0.401 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.585 -3.745 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.822 -2.226 -3.252 1.00 0.00 H new ATOM 66 N ILE A 8 -17.049 -2.156 -1.058 1.00 0.00 N ATOM 67 CA ILE A 8 -16.298 -1.497 0.003 1.00 0.00 C ATOM 68 C ILE A 8 -15.715 -0.173 -0.477 1.00 0.00 C ATOM 69 O ILE A 8 -14.943 -0.134 -1.435 1.00 0.00 O ATOM 70 CB ILE A 8 -15.156 -2.390 0.523 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.719 -3.684 1.114 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.330 -1.644 1.560 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.675 -4.758 1.323 1.00 0.00 C ATOM 0 H ILE A 8 -16.481 -2.723 -1.688 1.00 0.00 H new ATOM 0 HA ILE A 8 -16.999 -1.309 0.816 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.507 -2.647 -0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.195 -3.461 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.496 -4.068 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.527 -2.288 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.903 -0.748 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.968 -1.360 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.146 -5.646 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.216 -5.010 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.910 -4.393 2.008 1.00 0.00 H new ATOM 85 N MET A 9 -16.088 0.911 0.196 1.00 0.00 N ATOM 86 CA MET A 9 -15.599 2.238 -0.161 1.00 0.00 C ATOM 87 C MET A 9 -14.456 2.660 0.756 1.00 0.00 C ATOM 88 O MET A 9 -14.492 2.417 1.963 1.00 0.00 O ATOM 89 CB MET A 9 -16.734 3.260 -0.084 1.00 0.00 C ATOM 90 CG MET A 9 -18.032 2.776 -0.709 1.00 0.00 C ATOM 91 SD MET A 9 -17.884 2.488 -2.483 1.00 0.00 S ATOM 92 CE MET A 9 -18.668 0.884 -2.632 1.00 0.00 C ATOM 0 H MET A 9 -16.727 0.897 0.991 1.00 0.00 H new ATOM 0 HA MET A 9 -15.225 2.198 -1.184 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.915 3.511 0.961 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.420 4.177 -0.582 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.344 1.853 -0.220 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.815 3.513 -0.529 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.221 0.835 -3.570 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.907 0.104 -2.619 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.354 0.735 -1.798 1.00 0.00 H new ATOM 102 N VAL A 10 -13.441 3.293 0.177 1.00 0.00 N ATOM 103 CA VAL A 10 -12.287 3.750 0.942 1.00 0.00 C ATOM 104 C VAL A 10 -12.578 5.077 1.635 1.00 0.00 C ATOM 105 O VAL A 10 -12.499 6.141 1.022 1.00 0.00 O ATOM 106 CB VAL A 10 -11.047 3.914 0.044 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.871 4.447 0.848 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.693 2.592 -0.621 1.00 0.00 C ATOM 0 H VAL A 10 -13.394 3.501 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.083 2.987 1.694 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.279 4.638 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.004 4.556 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.130 5.417 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.635 3.750 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.814 2.726 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.480 1.845 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.531 2.256 -1.232 1.00 0.00 H new ATOM 118 N THR A 11 -12.914 5.006 2.919 1.00 0.00 N ATOM 119 CA THR A 11 -13.217 6.200 3.697 1.00 0.00 C ATOM 120 C THR A 11 -11.992 7.099 3.825 1.00 0.00 C ATOM 121 O THR A 11 -12.070 8.308 3.605 1.00 0.00 O ATOM 122 CB THR A 11 -13.725 5.840 5.106 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.670 5.241 5.868 1.00 0.00 O ATOM 124 CG2 THR A 11 -14.906 4.885 5.028 1.00 0.00 C ATOM 0 H THR A 11 -12.983 4.133 3.442 1.00 0.00 H new ATOM 0 HA THR A 11 -14.002 6.734 3.162 1.00 0.00 H new ATOM 0 HB THR A 11 -14.052 6.757 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.000 5.016 6.763 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.247 4.645 6.035 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.718 5.355 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.601 3.970 4.521 1.00 0.00 H new ATOM 132 N LYS A 12 -10.861 6.501 4.181 1.00 0.00 N ATOM 133 CA LYS A 12 -9.617 7.246 4.336 1.00 0.00 C ATOM 134 C LYS A 12 -8.671 6.975 3.171 1.00 0.00 C ATOM 135 O LYS A 12 -7.964 5.967 3.156 1.00 0.00 O ATOM 136 CB LYS A 12 -8.937 6.875 5.656 1.00 0.00 C ATOM 137 CG LYS A 12 -7.696 7.699 5.954 1.00 0.00 C ATOM 138 CD LYS A 12 -7.019 7.243 7.235 1.00 0.00 C ATOM 139 CE LYS A 12 -5.816 8.112 7.569 1.00 0.00 C ATOM 140 NZ LYS A 12 -5.549 8.150 9.034 1.00 0.00 N ATOM 0 H LYS A 12 -10.780 5.502 4.368 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.859 8.309 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.650 7.001 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.665 5.820 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.996 7.618 5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.968 8.751 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.733 7.277 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.702 6.205 7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.937 7.731 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.987 9.125 7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.887 8.923 9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.441 8.308 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.133 7.246 9.335 1.00 0.00 H new ATOM 154 N GLN A 13 -8.662 7.880 2.198 1.00 0.00 N ATOM 155 CA GLN A 13 -7.802 7.737 1.029 1.00 0.00 C ATOM 156 C GLN A 13 -6.332 7.844 1.420 1.00 0.00 C ATOM 157 O GLN A 13 -5.991 8.443 2.441 1.00 0.00 O ATOM 158 CB GLN A 13 -8.143 8.801 -0.015 1.00 0.00 C ATOM 159 CG GLN A 13 -9.583 8.740 -0.499 1.00 0.00 C ATOM 160 CD GLN A 13 -9.757 7.828 -1.698 1.00 0.00 C ATOM 161 OE1 GLN A 13 -10.420 6.697 -1.490 1.00 0.00 O flip ATOM 162 NE2 GLN A 13 -9.300 8.138 -2.799 1.00 0.00 N flip ATOM 0 H GLN A 13 -9.240 8.720 2.196 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.975 6.750 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.952 9.787 0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.476 8.686 -0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.221 8.392 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.918 9.744 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.797 9.018 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.425 7.515 -3.597 1.00 0.00 H new ATOM 171 N LEU A 14 -5.463 7.259 0.602 1.00 0.00 N ATOM 172 CA LEU A 14 -4.028 7.288 0.862 1.00 0.00 C ATOM 173 C LEU A 14 -3.490 8.714 0.787 1.00 0.00 C ATOM 174 O LEU A 14 -4.006 9.543 0.039 1.00 0.00 O ATOM 175 CB LEU A 14 -3.290 6.399 -0.141 1.00 0.00 C ATOM 176 CG LEU A 14 -3.695 4.924 -0.154 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.161 4.236 -1.401 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.194 4.223 1.100 1.00 0.00 C ATOM 0 H LEU A 14 -5.728 6.759 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.858 6.907 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.444 6.807 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.222 6.460 0.067 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.783 4.865 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.459 3.187 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.568 4.722 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.073 4.304 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.491 3.175 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.107 4.291 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.624 4.700 1.980 1.00 0.00 H new ATOM 190 N GLU A 15 -2.448 8.989 1.565 1.00 0.00 N ATOM 191 CA GLU A 15 -1.839 10.314 1.585 1.00 0.00 C ATOM 192 C GLU A 15 -0.365 10.241 1.197 1.00 0.00 C ATOM 193 O GLU A 15 0.350 9.325 1.602 1.00 0.00 O ATOM 194 CB GLU A 15 -1.982 10.945 2.972 1.00 0.00 C ATOM 195 CG GLU A 15 -1.064 10.332 4.016 1.00 0.00 C ATOM 196 CD GLU A 15 -1.004 11.151 5.291 1.00 0.00 C ATOM 197 OE1 GLU A 15 -2.018 11.190 6.019 1.00 0.00 O ATOM 198 OE2 GLU A 15 0.057 11.753 5.561 1.00 0.00 O ATOM 0 H GLU A 15 -2.008 8.313 2.189 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.359 10.936 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.774 12.013 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.015 10.843 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.408 9.325 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.060 10.237 3.602 1.00 0.00 H new ATOM 205 N ASP A 16 0.082 11.213 0.409 1.00 0.00 N ATOM 206 CA ASP A 16 1.470 11.261 -0.034 1.00 0.00 C ATOM 207 C ASP A 16 2.421 11.014 1.133 1.00 0.00 C ATOM 208 O ASP A 16 2.307 11.643 2.186 1.00 0.00 O ATOM 209 CB ASP A 16 1.775 12.614 -0.680 1.00 0.00 C ATOM 210 CG ASP A 16 3.236 12.999 -0.553 1.00 0.00 C ATOM 211 OD1 ASP A 16 4.088 12.087 -0.506 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.528 14.212 -0.501 1.00 0.00 O ATOM 0 H ASP A 16 -0.497 11.978 0.064 1.00 0.00 H new ATOM 0 HA ASP A 16 1.618 10.473 -0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.501 12.580 -1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.158 13.383 -0.215 1.00 0.00 H new ATOM 217 N THR A 17 3.361 10.094 0.939 1.00 0.00 N ATOM 218 CA THR A 17 4.331 9.762 1.975 1.00 0.00 C ATOM 219 C THR A 17 5.758 9.924 1.464 1.00 0.00 C ATOM 220 O THR A 17 6.119 9.386 0.416 1.00 0.00 O ATOM 221 CB THR A 17 4.140 8.320 2.482 1.00 0.00 C ATOM 222 OG1 THR A 17 2.769 8.102 2.834 1.00 0.00 O ATOM 223 CG2 THR A 17 5.028 8.048 3.687 1.00 0.00 C ATOM 0 H THR A 17 3.471 9.566 0.074 1.00 0.00 H new ATOM 0 HA THR A 17 4.162 10.455 2.800 1.00 0.00 H new ATOM 0 HB THR A 17 4.422 7.636 1.681 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.189 8.567 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.876 7.024 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.073 8.186 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.773 8.739 4.490 1.00 0.00 H new ATOM 231 N THR A 18 6.568 10.668 2.211 1.00 0.00 N ATOM 232 CA THR A 18 7.957 10.901 1.833 1.00 0.00 C ATOM 233 C THR A 18 8.912 10.200 2.792 1.00 0.00 C ATOM 234 O THR A 18 9.119 10.651 3.918 1.00 0.00 O ATOM 235 CB THR A 18 8.287 12.405 1.806 1.00 0.00 C ATOM 236 OG1 THR A 18 7.437 13.076 0.868 1.00 0.00 O ATOM 237 CG2 THR A 18 9.743 12.633 1.431 1.00 0.00 C ATOM 0 H THR A 18 6.286 11.120 3.081 1.00 0.00 H new ATOM 0 HA THR A 18 8.085 10.491 0.831 1.00 0.00 H new ATOM 0 HB THR A 18 8.118 12.810 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.652 14.032 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.952 13.703 1.418 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.388 12.146 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.934 12.214 0.443 1.00 0.00 H new ATOM 245 N ALA A 19 9.493 9.094 2.338 1.00 0.00 N ATOM 246 CA ALA A 19 10.430 8.332 3.155 1.00 0.00 C ATOM 247 C ALA A 19 11.853 8.462 2.624 1.00 0.00 C ATOM 248 O ALA A 19 12.096 9.150 1.631 1.00 0.00 O ATOM 249 CB ALA A 19 10.015 6.869 3.207 1.00 0.00 C ATOM 0 H ALA A 19 9.331 8.706 1.409 1.00 0.00 H new ATOM 0 HA ALA A 19 10.409 8.741 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.723 6.312 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.018 6.789 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.006 6.457 2.198 1.00 0.00 H new ATOM 255 N TYR A 20 12.791 7.800 3.291 1.00 0.00 N ATOM 256 CA TYR A 20 14.192 7.844 2.888 1.00 0.00 C ATOM 257 C TYR A 20 14.623 6.517 2.271 1.00 0.00 C ATOM 258 O TYR A 20 13.859 5.552 2.249 1.00 0.00 O ATOM 259 CB TYR A 20 15.080 8.173 4.089 1.00 0.00 C ATOM 260 CG TYR A 20 14.791 9.524 4.704 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.209 10.695 4.084 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.099 9.629 5.904 1.00 0.00 C ATOM 263 CE1 TYR A 20 14.947 11.931 4.642 1.00 0.00 C ATOM 264 CE2 TYR A 20 13.832 10.861 6.469 1.00 0.00 C ATOM 265 CZ TYR A 20 14.259 12.009 5.835 1.00 0.00 C ATOM 266 OH TYR A 20 13.995 13.239 6.393 1.00 0.00 O ATOM 0 H TYR A 20 12.607 7.226 4.114 1.00 0.00 H new ATOM 0 HA TYR A 20 14.303 8.626 2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.950 7.402 4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.124 8.141 3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.748 10.638 3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.764 8.732 6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.279 12.832 4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.292 10.925 7.402 1.00 0.00 H new ATOM 0 HH TYR A 20 13.502 13.119 7.231 1.00 0.00 H new ATOM 276 N CYS A 21 15.853 6.478 1.770 1.00 0.00 N ATOM 277 CA CYS A 21 16.388 5.270 1.152 1.00 0.00 C ATOM 278 C CYS A 21 16.727 4.223 2.208 1.00 0.00 C ATOM 279 O CYS A 21 17.601 4.433 3.047 1.00 0.00 O ATOM 280 CB CYS A 21 17.633 5.602 0.328 1.00 0.00 C ATOM 281 SG CYS A 21 18.549 4.152 -0.244 1.00 0.00 S ATOM 0 H CYS A 21 16.498 7.268 1.780 1.00 0.00 H new ATOM 0 HA CYS A 21 15.623 4.860 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.335 6.195 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.297 6.224 0.928 1.00 0.00 H new ATOM 0 HG CYS A 21 19.583 4.536 -0.933 1.00 0.00 H new ATOM 287 N GLY A 22 16.026 3.093 2.160 1.00 0.00 N ATOM 288 CA GLY A 22 16.266 2.031 3.119 1.00 0.00 C ATOM 289 C GLY A 22 15.273 2.049 4.264 1.00 0.00 C ATOM 290 O GLY A 22 14.980 1.010 4.855 1.00 0.00 O ATOM 0 H GLY A 22 15.297 2.895 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.213 1.068 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.276 2.126 3.517 1.00 0.00 H new ATOM 294 N GLU A 23 14.757 3.232 4.579 1.00 0.00 N ATOM 295 CA GLU A 23 13.793 3.381 5.663 1.00 0.00 C ATOM 296 C GLU A 23 12.570 2.500 5.428 1.00 0.00 C ATOM 297 O GLU A 23 12.379 1.961 4.338 1.00 0.00 O ATOM 298 CB GLU A 23 13.364 4.843 5.798 1.00 0.00 C ATOM 299 CG GLU A 23 14.232 5.647 6.752 1.00 0.00 C ATOM 300 CD GLU A 23 14.334 5.011 8.124 1.00 0.00 C ATOM 301 OE1 GLU A 23 13.277 4.712 8.719 1.00 0.00 O ATOM 302 OE2 GLU A 23 15.470 4.812 8.604 1.00 0.00 O ATOM 0 H GLU A 23 14.990 4.101 4.099 1.00 0.00 H new ATOM 0 HA GLU A 23 14.275 3.065 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.389 5.312 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.330 4.879 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.231 5.751 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.822 6.652 6.851 1.00 0.00 H new ATOM 309 N ARG A 24 11.743 2.357 6.460 1.00 0.00 N ATOM 310 CA ARG A 24 10.539 1.541 6.367 1.00 0.00 C ATOM 311 C ARG A 24 9.308 2.412 6.138 1.00 0.00 C ATOM 312 O ARG A 24 9.064 3.367 6.876 1.00 0.00 O ATOM 313 CB ARG A 24 10.361 0.711 7.640 1.00 0.00 C ATOM 314 CG ARG A 24 8.984 0.080 7.767 1.00 0.00 C ATOM 315 CD ARG A 24 8.567 -0.057 9.223 1.00 0.00 C ATOM 316 NE ARG A 24 8.923 -1.361 9.775 1.00 0.00 N ATOM 317 CZ ARG A 24 8.877 -1.649 11.071 1.00 0.00 C ATOM 318 NH1 ARG A 24 8.492 -0.728 11.944 1.00 0.00 N ATOM 319 NH2 ARG A 24 9.217 -2.859 11.496 1.00 0.00 N ATOM 0 H ARG A 24 11.886 2.796 7.370 1.00 0.00 H new ATOM 0 HA ARG A 24 10.650 0.869 5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.115 -0.076 7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.541 1.347 8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.253 0.688 7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.987 -0.902 7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.043 0.728 9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.490 0.090 9.307 1.00 0.00 H new ATOM 0 HE ARG A 24 9.224 -2.091 9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.231 0.203 11.621 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.457 -0.951 12.939 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.514 -3.570 10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.181 -3.079 12.491 1.00 0.00 H new ATOM 333 N VAL A 25 8.534 2.077 5.111 1.00 0.00 N ATOM 334 CA VAL A 25 7.328 2.828 4.785 1.00 0.00 C ATOM 335 C VAL A 25 6.082 2.116 5.299 1.00 0.00 C ATOM 336 O VAL A 25 5.990 0.890 5.248 1.00 0.00 O ATOM 337 CB VAL A 25 7.193 3.041 3.265 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.995 3.926 2.954 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.470 3.640 2.696 1.00 0.00 C ATOM 0 H VAL A 25 8.721 1.290 4.490 1.00 0.00 H new ATOM 0 HA VAL A 25 7.417 3.798 5.274 1.00 0.00 H new ATOM 0 HB VAL A 25 7.031 2.072 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.916 4.065 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.087 3.453 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.123 4.895 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.357 3.784 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.665 4.601 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.305 2.965 2.886 1.00 0.00 H new ATOM 349 N GLU A 26 5.124 2.894 5.795 1.00 0.00 N ATOM 350 CA GLU A 26 3.883 2.337 6.319 1.00 0.00 C ATOM 351 C GLU A 26 2.676 3.109 5.794 1.00 0.00 C ATOM 352 O GLU A 26 2.402 4.228 6.232 1.00 0.00 O ATOM 353 CB GLU A 26 3.893 2.363 7.849 1.00 0.00 C ATOM 354 CG GLU A 26 4.629 1.188 8.472 1.00 0.00 C ATOM 355 CD GLU A 26 4.167 0.895 9.887 1.00 0.00 C ATOM 356 OE1 GLU A 26 4.502 1.685 10.795 1.00 0.00 O ATOM 357 OE2 GLU A 26 3.472 -0.123 10.086 1.00 0.00 O ATOM 0 H GLU A 26 5.184 3.911 5.845 1.00 0.00 H new ATOM 0 HA GLU A 26 3.807 1.304 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.356 3.291 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.865 2.370 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.481 0.302 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.699 1.396 8.479 1.00 0.00 H new ATOM 364 N LEU A 27 1.958 2.505 4.854 1.00 0.00 N ATOM 365 CA LEU A 27 0.780 3.135 4.268 1.00 0.00 C ATOM 366 C LEU A 27 -0.490 2.687 4.984 1.00 0.00 C ATOM 367 O LEU A 27 -0.903 1.533 4.871 1.00 0.00 O ATOM 368 CB LEU A 27 0.685 2.799 2.779 1.00 0.00 C ATOM 369 CG LEU A 27 1.906 3.157 1.931 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.788 2.550 0.541 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.071 4.667 1.843 1.00 0.00 C ATOM 0 H LEU A 27 2.171 1.580 4.481 1.00 0.00 H new ATOM 0 HA LEU A 27 0.880 4.214 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.499 1.730 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.183 3.313 2.366 1.00 0.00 H new ATOM 0 HG LEU A 27 2.792 2.742 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.666 2.816 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.720 1.465 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.893 2.934 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.945 4.903 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.183 5.104 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.203 5.077 2.844 1.00 0.00 H new ATOM 383 N GLU A 28 -1.106 3.608 5.719 1.00 0.00 N ATOM 384 CA GLU A 28 -2.330 3.306 6.451 1.00 0.00 C ATOM 385 C GLU A 28 -3.555 3.820 5.700 1.00 0.00 C ATOM 386 O GLU A 28 -3.492 4.840 5.012 1.00 0.00 O ATOM 387 CB GLU A 28 -2.279 3.926 7.850 1.00 0.00 C ATOM 388 CG GLU A 28 -3.294 3.335 8.814 1.00 0.00 C ATOM 389 CD GLU A 28 -3.644 4.282 9.945 1.00 0.00 C ATOM 390 OE1 GLU A 28 -4.292 5.315 9.676 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.270 3.990 11.101 1.00 0.00 O ATOM 0 H GLU A 28 -0.778 4.568 5.823 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.410 2.223 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.279 3.792 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.449 5.000 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.201 3.077 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.898 2.409 9.230 1.00 0.00 H new ATOM 398 N CYS A 29 -4.667 3.106 5.835 1.00 0.00 N ATOM 399 CA CYS A 29 -5.906 3.488 5.168 1.00 0.00 C ATOM 400 C CYS A 29 -7.110 2.841 5.846 1.00 0.00 C ATOM 401 O CYS A 29 -6.962 1.914 6.640 1.00 0.00 O ATOM 402 CB CYS A 29 -5.860 3.088 3.693 1.00 0.00 C ATOM 403 SG CYS A 29 -5.847 1.302 3.412 1.00 0.00 S ATOM 0 H CYS A 29 -4.736 2.260 6.400 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.010 4.571 5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.722 3.519 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.971 3.523 3.237 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.683 0.943 2.958 1.00 0.00 H new ATOM 409 N GLU A 30 -8.301 3.339 5.526 1.00 0.00 N ATOM 410 CA GLU A 30 -9.530 2.810 6.107 1.00 0.00 C ATOM 411 C GLU A 30 -10.566 2.530 5.023 1.00 0.00 C ATOM 412 O GLU A 30 -10.522 3.113 3.940 1.00 0.00 O ATOM 413 CB GLU A 30 -10.100 3.793 7.131 1.00 0.00 C ATOM 414 CG GLU A 30 -9.530 3.614 8.529 1.00 0.00 C ATOM 415 CD GLU A 30 -10.106 4.602 9.524 1.00 0.00 C ATOM 416 OE1 GLU A 30 -11.223 4.354 10.027 1.00 0.00 O ATOM 417 OE2 GLU A 30 -9.442 5.623 9.801 1.00 0.00 O ATOM 0 H GLU A 30 -8.441 4.107 4.869 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.291 1.872 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.902 4.811 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.183 3.676 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.731 2.599 8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.447 3.730 8.493 1.00 0.00 H new ATOM 424 N VAL A 31 -11.499 1.631 5.323 1.00 0.00 N ATOM 425 CA VAL A 31 -12.548 1.273 4.376 1.00 0.00 C ATOM 426 C VAL A 31 -13.930 1.433 4.999 1.00 0.00 C ATOM 427 O VAL A 31 -14.058 1.847 6.151 1.00 0.00 O ATOM 428 CB VAL A 31 -12.385 -0.177 3.880 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.249 -0.273 2.874 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.151 -1.117 5.053 1.00 0.00 C ATOM 0 H VAL A 31 -11.549 1.138 6.214 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.454 1.952 3.529 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.306 -0.478 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.149 -1.304 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.463 0.370 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.319 0.046 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.038 -2.137 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.246 -0.820 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.001 -1.069 5.733 1.00 0.00 H new ATOM 440 N SER A 32 -14.962 1.102 4.230 1.00 0.00 N ATOM 441 CA SER A 32 -16.336 1.212 4.706 1.00 0.00 C ATOM 442 C SER A 32 -16.715 0.004 5.557 1.00 0.00 C ATOM 443 O SER A 32 -17.495 0.118 6.502 1.00 0.00 O ATOM 444 CB SER A 32 -17.299 1.339 3.523 1.00 0.00 C ATOM 445 OG SER A 32 -17.295 0.162 2.734 1.00 0.00 O ATOM 0 H SER A 32 -14.873 0.755 3.275 1.00 0.00 H new ATOM 0 HA SER A 32 -16.410 2.107 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.307 1.531 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.015 2.193 2.909 1.00 0.00 H new ATOM 0 HG SER A 32 -18.114 0.125 2.197 1.00 0.00 H new ATOM 451 N GLU A 33 -16.156 -1.152 5.214 1.00 0.00 N ATOM 452 CA GLU A 33 -16.436 -2.382 5.946 1.00 0.00 C ATOM 453 C GLU A 33 -15.313 -2.697 6.930 1.00 0.00 C ATOM 454 O GLU A 33 -14.326 -1.966 7.017 1.00 0.00 O ATOM 455 CB GLU A 33 -16.620 -3.550 4.975 1.00 0.00 C ATOM 456 CG GLU A 33 -17.862 -3.430 4.108 1.00 0.00 C ATOM 457 CD GLU A 33 -19.126 -3.838 4.839 1.00 0.00 C ATOM 458 OE1 GLU A 33 -19.307 -3.406 5.997 1.00 0.00 O ATOM 459 OE2 GLU A 33 -19.933 -4.590 4.255 1.00 0.00 O ATOM 0 H GLU A 33 -15.507 -1.263 4.435 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.359 -2.237 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.743 -3.618 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.672 -4.479 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.962 -2.401 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.743 -4.052 3.221 1.00 0.00 H new ATOM 466 N ASP A 34 -15.471 -3.789 7.669 1.00 0.00 N ATOM 467 CA ASP A 34 -14.470 -4.203 8.647 1.00 0.00 C ATOM 468 C ASP A 34 -13.794 -5.501 8.217 1.00 0.00 C ATOM 469 O ASP A 34 -14.289 -6.210 7.340 1.00 0.00 O ATOM 470 CB ASP A 34 -15.114 -4.380 10.023 1.00 0.00 C ATOM 471 CG ASP A 34 -16.002 -5.606 10.093 1.00 0.00 C ATOM 472 OD1 ASP A 34 -15.468 -6.713 10.318 1.00 0.00 O ATOM 473 OD2 ASP A 34 -17.231 -5.460 9.923 1.00 0.00 O ATOM 0 H ASP A 34 -16.282 -4.404 7.610 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.711 -3.423 8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.333 -4.457 10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.703 -3.494 10.262 1.00 0.00 H new ATOM 478 N ASP A 35 -12.660 -5.805 8.839 1.00 0.00 N ATOM 479 CA ASP A 35 -11.916 -7.018 8.521 1.00 0.00 C ATOM 480 C ASP A 35 -12.021 -7.346 7.035 1.00 0.00 C ATOM 481 O ASP A 35 -12.273 -8.491 6.658 1.00 0.00 O ATOM 482 CB ASP A 35 -12.432 -8.192 9.353 1.00 0.00 C ATOM 483 CG ASP A 35 -12.375 -7.915 10.843 1.00 0.00 C ATOM 484 OD1 ASP A 35 -13.015 -6.941 11.289 1.00 0.00 O ATOM 485 OD2 ASP A 35 -11.690 -8.673 11.562 1.00 0.00 O ATOM 0 H ASP A 35 -12.236 -5.228 9.566 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.867 -6.845 8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.460 -8.412 9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.841 -9.080 9.129 1.00 0.00 H new ATOM 490 N ALA A 36 -11.828 -6.335 6.195 1.00 0.00 N ATOM 491 CA ALA A 36 -11.901 -6.516 4.750 1.00 0.00 C ATOM 492 C ALA A 36 -10.557 -6.965 4.185 1.00 0.00 C ATOM 493 O ALA A 36 -9.571 -7.069 4.913 1.00 0.00 O ATOM 494 CB ALA A 36 -12.355 -5.229 4.079 1.00 0.00 C ATOM 0 H ALA A 36 -11.620 -5.381 6.490 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.632 -7.297 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.405 -5.379 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.341 -4.952 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.645 -4.432 4.302 1.00 0.00 H new ATOM 500 N ASN A 37 -10.527 -7.229 2.883 1.00 0.00 N ATOM 501 CA ASN A 37 -9.304 -7.667 2.221 1.00 0.00 C ATOM 502 C ASN A 37 -9.022 -6.822 0.982 1.00 0.00 C ATOM 503 O ASN A 37 -9.445 -7.160 -0.123 1.00 0.00 O ATOM 504 CB ASN A 37 -9.411 -9.143 1.830 1.00 0.00 C ATOM 505 CG ASN A 37 -8.249 -9.600 0.970 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.363 -8.813 0.636 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.249 -10.877 0.605 1.00 0.00 N ATOM 0 H ASN A 37 -11.335 -7.147 2.266 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.478 -7.541 2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.453 -9.753 2.733 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.344 -9.306 1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.494 -11.241 0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.004 -11.493 0.905 1.00 0.00 H new ATOM 514 N VAL A 38 -8.305 -5.720 1.176 1.00 0.00 N ATOM 515 CA VAL A 38 -7.965 -4.826 0.075 1.00 0.00 C ATOM 516 C VAL A 38 -6.825 -5.394 -0.762 1.00 0.00 C ATOM 517 O VAL A 38 -6.086 -6.270 -0.312 1.00 0.00 O ATOM 518 CB VAL A 38 -7.564 -3.430 0.589 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.564 -2.934 1.622 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.158 -3.459 1.168 1.00 0.00 C ATOM 0 H VAL A 38 -7.948 -5.425 2.085 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.857 -4.734 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.572 -2.736 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.264 -1.947 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.554 -2.873 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.591 -3.626 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.891 -2.465 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.120 -4.165 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.453 -3.768 0.396 1.00 0.00 H new ATOM 530 N LYS A 39 -6.686 -4.889 -1.983 1.00 0.00 N ATOM 531 CA LYS A 39 -5.634 -5.344 -2.885 1.00 0.00 C ATOM 532 C LYS A 39 -4.696 -4.198 -3.248 1.00 0.00 C ATOM 533 O LYS A 39 -5.085 -3.262 -3.948 1.00 0.00 O ATOM 534 CB LYS A 39 -6.246 -5.939 -4.156 1.00 0.00 C ATOM 535 CG LYS A 39 -6.707 -7.376 -3.993 1.00 0.00 C ATOM 536 CD LYS A 39 -6.711 -8.115 -5.321 1.00 0.00 C ATOM 537 CE LYS A 39 -8.044 -7.966 -6.038 1.00 0.00 C ATOM 538 NZ LYS A 39 -8.268 -9.058 -7.025 1.00 0.00 N ATOM 0 H LYS A 39 -7.289 -4.164 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.057 -6.114 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.094 -5.327 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.512 -5.891 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.052 -7.892 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.709 -7.391 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.911 -7.731 -5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.504 -9.172 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.852 -7.966 -5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.076 -7.003 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.187 -8.921 -7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.511 -9.042 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.263 -9.975 -6.535 1.00 0.00 H new ATOM 552 N TRP A 40 -3.459 -4.278 -2.770 1.00 0.00 N ATOM 553 CA TRP A 40 -2.465 -3.247 -3.047 1.00 0.00 C ATOM 554 C TRP A 40 -1.745 -3.524 -4.362 1.00 0.00 C ATOM 555 O TRP A 40 -1.323 -4.650 -4.624 1.00 0.00 O ATOM 556 CB TRP A 40 -1.452 -3.167 -1.903 1.00 0.00 C ATOM 557 CG TRP A 40 -2.084 -2.919 -0.567 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.739 -3.830 0.212 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.121 -1.678 0.146 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.181 -3.229 1.366 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.814 -1.910 1.350 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.634 -0.394 -0.114 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.032 -0.905 2.289 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.852 0.603 0.818 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.545 0.343 2.008 1.00 0.00 C ATOM 0 H TRP A 40 -3.121 -5.045 -2.189 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.982 -2.291 -3.133 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.886 -4.098 -1.862 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.739 -2.370 -2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.888 -4.869 -0.042 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.699 -3.691 2.114 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.097 -0.185 -1.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.566 -1.103 3.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.482 1.599 0.626 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.698 1.143 2.717 1.00 0.00 H new ATOM 576 N PHE A 41 -1.607 -2.490 -5.185 1.00 0.00 N ATOM 577 CA PHE A 41 -0.938 -2.623 -6.474 1.00 0.00 C ATOM 578 C PHE A 41 0.152 -1.568 -6.632 1.00 0.00 C ATOM 579 O PHE A 41 -0.053 -0.394 -6.322 1.00 0.00 O ATOM 580 CB PHE A 41 -1.952 -2.500 -7.614 1.00 0.00 C ATOM 581 CG PHE A 41 -3.080 -3.487 -7.523 1.00 0.00 C ATOM 582 CD1 PHE A 41 -4.109 -3.301 -6.614 1.00 0.00 C ATOM 583 CD2 PHE A 41 -3.111 -4.602 -8.345 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.148 -4.208 -6.527 1.00 0.00 C ATOM 585 CE2 PHE A 41 -4.147 -5.513 -8.263 1.00 0.00 C ATOM 586 CZ PHE A 41 -5.168 -5.315 -7.354 1.00 0.00 C ATOM 0 H PHE A 41 -1.949 -1.551 -4.982 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.474 -3.608 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.363 -1.490 -7.617 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.436 -2.637 -8.564 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.099 -2.437 -5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.316 -4.761 -9.058 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.944 -4.052 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.158 -6.379 -8.909 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.980 -6.024 -7.290 1.00 0.00 H new ATOM 596 N LYS A 42 1.314 -1.994 -7.116 1.00 0.00 N ATOM 597 CA LYS A 42 2.439 -1.088 -7.317 1.00 0.00 C ATOM 598 C LYS A 42 2.599 -0.738 -8.793 1.00 0.00 C ATOM 599 O LYS A 42 3.175 -1.504 -9.563 1.00 0.00 O ATOM 600 CB LYS A 42 3.729 -1.719 -6.789 1.00 0.00 C ATOM 601 CG LYS A 42 4.786 -0.703 -6.394 1.00 0.00 C ATOM 602 CD LYS A 42 6.186 -1.283 -6.504 1.00 0.00 C ATOM 603 CE LYS A 42 7.225 -0.193 -6.722 1.00 0.00 C ATOM 604 NZ LYS A 42 8.538 -0.756 -7.145 1.00 0.00 N ATOM 0 H LYS A 42 1.501 -2.962 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 42 2.238 -0.171 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.493 -2.339 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.139 -2.379 -7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.704 0.176 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.608 -0.371 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.424 -1.838 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.223 -1.993 -7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.867 0.504 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.353 0.376 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.219 0.018 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.892 -1.401 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.421 -1.278 -8.037 1.00 0.00 H new ATOM 618 N ASN A 43 2.085 0.425 -9.180 1.00 0.00 N ATOM 619 CA ASN A 43 2.172 0.877 -10.564 1.00 0.00 C ATOM 620 C ASN A 43 1.306 0.011 -11.474 1.00 0.00 C ATOM 621 O ASN A 43 1.604 -0.156 -12.656 1.00 0.00 O ATOM 622 CB ASN A 43 3.625 0.845 -11.042 1.00 0.00 C ATOM 623 CG ASN A 43 4.573 1.494 -10.052 1.00 0.00 C ATOM 624 OD1 ASN A 43 5.047 0.850 -9.116 1.00 0.00 O ATOM 625 ND2 ASN A 43 4.856 2.775 -10.256 1.00 0.00 N ATOM 0 H ASN A 43 1.604 1.072 -8.555 1.00 0.00 H new ATOM 0 HA ASN A 43 1.804 1.902 -10.610 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.928 -0.189 -11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.700 1.356 -12.002 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.489 3.264 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.440 3.270 -11.045 1.00 0.00 H new ATOM 632 N GLY A 44 0.232 -0.537 -10.914 1.00 0.00 N ATOM 633 CA GLY A 44 -0.661 -1.379 -11.689 1.00 0.00 C ATOM 634 C GLY A 44 -0.454 -2.854 -11.411 1.00 0.00 C ATOM 635 O GLY A 44 -1.363 -3.661 -11.602 1.00 0.00 O ATOM 0 H GLY A 44 -0.036 -0.413 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.694 -1.112 -11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.506 -1.187 -12.751 1.00 0.00 H new ATOM 639 N GLU A 45 0.745 -3.208 -10.960 1.00 0.00 N ATOM 640 CA GLU A 45 1.069 -4.597 -10.658 1.00 0.00 C ATOM 641 C GLU A 45 0.553 -4.988 -9.276 1.00 0.00 C ATOM 642 O GLU A 45 0.584 -4.187 -8.342 1.00 0.00 O ATOM 643 CB GLU A 45 2.581 -4.820 -10.732 1.00 0.00 C ATOM 644 CG GLU A 45 3.147 -4.692 -12.136 1.00 0.00 C ATOM 645 CD GLU A 45 3.223 -3.252 -12.605 1.00 0.00 C ATOM 646 OE1 GLU A 45 4.144 -2.532 -12.165 1.00 0.00 O ATOM 647 OE2 GLU A 45 2.362 -2.845 -13.413 1.00 0.00 O ATOM 0 H GLU A 45 1.508 -2.552 -10.796 1.00 0.00 H new ATOM 0 HA GLU A 45 0.580 -5.227 -11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.078 -4.100 -10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.813 -5.812 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.144 -5.132 -12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.527 -5.263 -12.827 1.00 0.00 H new ATOM 654 N GLU A 46 0.079 -6.224 -9.155 1.00 0.00 N ATOM 655 CA GLU A 46 -0.445 -6.720 -7.888 1.00 0.00 C ATOM 656 C GLU A 46 0.685 -7.215 -6.989 1.00 0.00 C ATOM 657 O GLU A 46 1.505 -8.036 -7.401 1.00 0.00 O ATOM 658 CB GLU A 46 -1.449 -7.848 -8.132 1.00 0.00 C ATOM 659 CG GLU A 46 -1.889 -8.557 -6.862 1.00 0.00 C ATOM 660 CD GLU A 46 -3.009 -9.549 -7.106 1.00 0.00 C ATOM 661 OE1 GLU A 46 -4.124 -9.109 -7.459 1.00 0.00 O ATOM 662 OE2 GLU A 46 -2.772 -10.764 -6.944 1.00 0.00 O ATOM 0 H GLU A 46 0.047 -6.900 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.951 -5.896 -7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.327 -7.440 -8.633 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.006 -8.577 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.036 -9.078 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.217 -7.817 -6.132 1.00 0.00 H new ATOM 669 N ILE A 47 0.720 -6.711 -5.760 1.00 0.00 N ATOM 670 CA ILE A 47 1.747 -7.102 -4.803 1.00 0.00 C ATOM 671 C ILE A 47 1.387 -8.415 -4.117 1.00 0.00 C ATOM 672 O ILE A 47 0.238 -8.631 -3.731 1.00 0.00 O ATOM 673 CB ILE A 47 1.960 -6.017 -3.731 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.386 -4.700 -4.385 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.999 -6.471 -2.717 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.635 -3.586 -3.392 1.00 0.00 C ATOM 0 H ILE A 47 0.049 -6.031 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 47 2.671 -7.230 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 47 1.018 -5.854 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.293 -4.868 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.613 -4.385 -5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.138 -5.693 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.659 -7.386 -2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.945 -6.659 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.933 -2.683 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.723 -3.390 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.429 -3.881 -2.706 1.00 0.00 H new ATOM 688 N ILE A 48 2.378 -9.288 -3.967 1.00 0.00 N ATOM 689 CA ILE A 48 2.166 -10.579 -3.324 1.00 0.00 C ATOM 690 C ILE A 48 3.074 -10.744 -2.110 1.00 0.00 C ATOM 691 O ILE A 48 4.199 -11.235 -2.207 1.00 0.00 O ATOM 692 CB ILE A 48 2.418 -11.743 -4.301 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.553 -11.582 -5.553 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.135 -13.075 -3.622 1.00 0.00 C ATOM 695 CD1 ILE A 48 2.179 -10.700 -6.610 1.00 0.00 C ATOM 0 H ILE A 48 3.334 -9.125 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 48 1.125 -10.604 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 48 3.466 -11.726 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.360 -12.566 -5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.588 -11.163 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.318 -13.888 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.789 -13.189 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.095 -13.104 -3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.511 -10.631 -7.469 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.347 -9.704 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.131 -11.128 -6.924 1.00 0.00 H new ATOM 707 N PRO A 49 2.575 -10.326 -0.937 1.00 0.00 N ATOM 708 CA PRO A 49 3.324 -10.419 0.320 1.00 0.00 C ATOM 709 C PRO A 49 3.488 -11.860 0.792 1.00 0.00 C ATOM 710 O PRO A 49 3.068 -12.797 0.114 1.00 0.00 O ATOM 711 CB PRO A 49 2.461 -9.629 1.306 1.00 0.00 C ATOM 712 CG PRO A 49 1.082 -9.703 0.748 1.00 0.00 C ATOM 713 CD PRO A 49 1.242 -9.731 -0.747 1.00 0.00 C ATOM 0 HA PRO A 49 4.339 -10.036 0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.507 -10.061 2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.799 -8.596 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.565 -10.595 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.488 -8.845 1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.464 -10.328 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.184 -8.731 -1.176 1.00 0.00 H new ATOM 721 N GLY A 50 4.102 -12.030 1.959 1.00 0.00 N ATOM 722 CA GLY A 50 4.310 -13.360 2.501 1.00 0.00 C ATOM 723 C GLY A 50 5.543 -13.441 3.379 1.00 0.00 C ATOM 724 O GLY A 50 6.119 -12.427 3.773 1.00 0.00 O ATOM 0 H GLY A 50 4.459 -11.270 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.435 -13.654 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.404 -14.073 1.682 1.00 0.00 H new ATOM 775 N ARG A 54 9.345 -8.425 1.003 1.00 0.00 N ATOM 776 CA ARG A 54 9.527 -6.996 1.228 1.00 0.00 C ATOM 777 C ARG A 54 8.211 -6.338 1.632 1.00 0.00 C ATOM 778 O ARG A 54 8.162 -5.554 2.581 1.00 0.00 O ATOM 779 CB ARG A 54 10.079 -6.326 -0.031 1.00 0.00 C ATOM 780 CG ARG A 54 11.591 -6.414 -0.154 1.00 0.00 C ATOM 781 CD ARG A 54 12.079 -5.812 -1.463 1.00 0.00 C ATOM 782 NE ARG A 54 13.477 -5.397 -1.387 1.00 0.00 N ATOM 783 CZ ARG A 54 14.253 -5.226 -2.452 1.00 0.00 C ATOM 784 NH1 ARG A 54 13.769 -5.434 -3.668 1.00 0.00 N ATOM 785 NH2 ARG A 54 15.515 -4.847 -2.301 1.00 0.00 N ATOM 0 HA ARG A 54 10.242 -6.870 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.624 -6.788 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.783 -5.277 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.056 -5.893 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.902 -7.457 -0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.961 -6.542 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.459 -4.953 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 54 13.880 -5.229 -0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.799 -5.726 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.366 -5.302 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.891 -4.686 -1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.110 -4.716 -3.119 1.00 0.00 H new ATOM 799 N TYR A 55 7.146 -6.661 0.907 1.00 0.00 N ATOM 800 CA TYR A 55 5.830 -6.099 1.187 1.00 0.00 C ATOM 801 C TYR A 55 5.024 -7.025 2.092 1.00 0.00 C ATOM 802 O TYR A 55 5.035 -8.244 1.920 1.00 0.00 O ATOM 803 CB TYR A 55 5.069 -5.852 -0.117 1.00 0.00 C ATOM 804 CG TYR A 55 5.879 -5.118 -1.161 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.657 -5.812 -2.080 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.866 -3.730 -1.229 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.399 -5.145 -3.035 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.604 -3.055 -2.182 1.00 0.00 C ATOM 809 CZ TYR A 55 7.369 -3.767 -3.083 1.00 0.00 C ATOM 810 OH TYR A 55 8.106 -3.099 -4.034 1.00 0.00 O ATOM 0 H TYR A 55 7.168 -7.310 0.120 1.00 0.00 H new ATOM 0 HA TYR A 55 5.971 -5.149 1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.746 -6.809 -0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.168 -5.279 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.682 -6.891 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.269 -3.170 -0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.000 -5.700 -3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.582 -1.976 -2.222 1.00 0.00 H new ATOM 0 HH TYR A 55 7.974 -2.133 -3.932 1.00 0.00 H new ATOM 820 N ARG A 56 4.325 -6.437 3.058 1.00 0.00 N ATOM 821 CA ARG A 56 3.513 -7.208 3.991 1.00 0.00 C ATOM 822 C ARG A 56 2.181 -6.512 4.257 1.00 0.00 C ATOM 823 O ARG A 56 2.125 -5.513 4.975 1.00 0.00 O ATOM 824 CB ARG A 56 4.266 -7.412 5.307 1.00 0.00 C ATOM 825 CG ARG A 56 5.714 -7.835 5.121 1.00 0.00 C ATOM 826 CD ARG A 56 6.589 -7.344 6.264 1.00 0.00 C ATOM 827 NE ARG A 56 6.371 -8.110 7.488 1.00 0.00 N ATOM 828 CZ ARG A 56 6.923 -9.296 7.721 1.00 0.00 C ATOM 829 NH1 ARG A 56 7.722 -9.847 6.818 1.00 0.00 N ATOM 830 NH2 ARG A 56 6.676 -9.932 8.859 1.00 0.00 N ATOM 0 H ARG A 56 4.305 -5.429 3.214 1.00 0.00 H new ATOM 0 HA ARG A 56 3.311 -8.180 3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.238 -6.485 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.749 -8.167 5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.772 -8.922 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.091 -7.441 4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.637 -7.415 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.381 -6.291 6.453 1.00 0.00 H new ATOM 0 HE ARG A 56 5.762 -7.713 8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.914 -9.360 5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.145 -10.757 6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.062 -9.511 9.556 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.100 -10.842 9.037 1.00 0.00 H new ATOM 844 N ILE A 57 1.114 -7.046 3.674 1.00 0.00 N ATOM 845 CA ILE A 57 -0.217 -6.476 3.849 1.00 0.00 C ATOM 846 C ILE A 57 -0.837 -6.923 5.168 1.00 0.00 C ATOM 847 O ILE A 57 -1.076 -8.111 5.383 1.00 0.00 O ATOM 848 CB ILE A 57 -1.155 -6.873 2.693 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.573 -6.413 1.355 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.539 -6.278 2.908 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.129 -7.164 0.165 1.00 0.00 C ATOM 0 H ILE A 57 1.144 -7.872 3.076 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.099 -5.392 3.855 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.246 -7.959 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.772 -5.349 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.510 -6.535 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.191 -6.567 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.953 -6.649 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.465 -5.191 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.672 -6.786 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.907 -8.226 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.209 -7.022 0.117 1.00 0.00 H new ATOM 863 N ARG A 58 -1.097 -5.962 6.048 1.00 0.00 N ATOM 864 CA ARG A 58 -1.691 -6.256 7.347 1.00 0.00 C ATOM 865 C ARG A 58 -2.994 -5.485 7.536 1.00 0.00 C ATOM 866 O ARG A 58 -3.078 -4.298 7.220 1.00 0.00 O ATOM 867 CB ARG A 58 -0.712 -5.906 8.470 1.00 0.00 C ATOM 868 CG ARG A 58 -1.355 -5.862 9.847 1.00 0.00 C ATOM 869 CD ARG A 58 -0.368 -5.402 10.908 1.00 0.00 C ATOM 870 NE ARG A 58 0.708 -6.370 11.111 1.00 0.00 N ATOM 871 CZ ARG A 58 1.451 -6.422 12.211 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.236 -5.568 13.202 1.00 0.00 N ATOM 873 NH2 ARG A 58 2.411 -7.332 12.322 1.00 0.00 N ATOM 0 H ARG A 58 -0.906 -4.973 5.885 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.911 -7.323 7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.095 -6.639 8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.260 -4.937 8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.211 -5.188 9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.733 -6.851 10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.058 -4.442 10.615 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.895 -5.243 11.849 1.00 0.00 H new ATOM 0 HE ARG A 58 0.899 -7.042 10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.498 -4.868 13.121 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.808 -5.611 14.045 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.579 -7.992 11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.981 -7.371 13.167 1.00 0.00 H new ATOM 887 N VAL A 59 -4.010 -6.169 8.053 1.00 0.00 N ATOM 888 CA VAL A 59 -5.310 -5.550 8.284 1.00 0.00 C ATOM 889 C VAL A 59 -5.618 -5.460 9.774 1.00 0.00 C ATOM 890 O VAL A 59 -5.448 -6.429 10.513 1.00 0.00 O ATOM 891 CB VAL A 59 -6.437 -6.332 7.584 1.00 0.00 C ATOM 892 CG1 VAL A 59 -6.405 -7.797 7.995 1.00 0.00 C ATOM 893 CG2 VAL A 59 -7.790 -5.711 7.898 1.00 0.00 C ATOM 0 H VAL A 59 -3.958 -7.152 8.320 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.261 -4.545 7.864 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.279 -6.278 6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.208 -8.334 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.446 -8.233 7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.538 -7.875 9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.575 -6.276 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.959 -5.733 8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.806 -4.678 7.549 1.00 0.00 H new ATOM 903 N GLU A 60 -6.072 -4.289 10.210 1.00 0.00 N ATOM 904 CA GLU A 60 -6.404 -4.072 11.613 1.00 0.00 C ATOM 905 C GLU A 60 -7.773 -3.414 11.753 1.00 0.00 C ATOM 906 O GLU A 60 -7.943 -2.236 11.439 1.00 0.00 O ATOM 907 CB GLU A 60 -5.337 -3.204 12.284 1.00 0.00 C ATOM 908 CG GLU A 60 -4.201 -4.004 12.900 1.00 0.00 C ATOM 909 CD GLU A 60 -4.616 -4.729 14.165 1.00 0.00 C ATOM 910 OE1 GLU A 60 -5.441 -5.662 14.071 1.00 0.00 O ATOM 911 OE2 GLU A 60 -4.115 -4.364 15.249 1.00 0.00 O ATOM 0 H GLU A 60 -6.218 -3.476 9.612 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.435 -5.043 12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.926 -2.514 11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.807 -2.600 13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.837 -4.730 12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.371 -3.335 13.125 1.00 0.00 H new ATOM 918 N GLY A 61 -8.748 -4.184 12.228 1.00 0.00 N ATOM 919 CA GLY A 61 -10.090 -3.659 12.401 1.00 0.00 C ATOM 920 C GLY A 61 -10.714 -3.218 11.091 1.00 0.00 C ATOM 921 O GLY A 61 -11.131 -4.048 10.283 1.00 0.00 O ATOM 0 H GLY A 61 -8.632 -5.161 12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.719 -4.422 12.861 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.060 -2.814 13.088 1.00 0.00 H new ATOM 925 N LYS A 62 -10.779 -1.908 10.881 1.00 0.00 N ATOM 926 CA LYS A 62 -11.357 -1.357 9.661 1.00 0.00 C ATOM 927 C LYS A 62 -10.334 -0.512 8.908 1.00 0.00 C ATOM 928 O LYS A 62 -10.693 0.322 8.077 1.00 0.00 O ATOM 929 CB LYS A 62 -12.588 -0.510 9.992 1.00 0.00 C ATOM 930 CG LYS A 62 -13.531 -1.170 10.982 1.00 0.00 C ATOM 931 CD LYS A 62 -14.662 -0.236 11.382 1.00 0.00 C ATOM 932 CE LYS A 62 -15.753 -0.197 10.323 1.00 0.00 C ATOM 933 NZ LYS A 62 -16.937 0.585 10.775 1.00 0.00 N ATOM 0 H LYS A 62 -10.439 -1.208 11.540 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.656 -2.189 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.262 0.448 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.131 -0.298 9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.945 -2.077 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.975 -1.471 11.870 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.086 -0.562 12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.268 0.768 11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.355 0.242 9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.061 -1.214 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.658 0.588 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.332 0.151 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.649 1.563 10.982 1.00 0.00 H new ATOM 947 N LYS A 63 -9.057 -0.736 9.202 1.00 0.00 N ATOM 948 CA LYS A 63 -7.981 0.001 8.551 1.00 0.00 C ATOM 949 C LYS A 63 -6.829 -0.928 8.184 1.00 0.00 C ATOM 950 O LYS A 63 -6.426 -1.778 8.979 1.00 0.00 O ATOM 951 CB LYS A 63 -7.476 1.120 9.465 1.00 0.00 C ATOM 952 CG LYS A 63 -6.426 0.663 10.462 1.00 0.00 C ATOM 953 CD LYS A 63 -6.487 1.472 11.747 1.00 0.00 C ATOM 954 CE LYS A 63 -6.234 2.949 11.488 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.470 3.656 11.052 1.00 0.00 N ATOM 0 H LYS A 63 -8.743 -1.423 9.888 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.377 0.439 7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.059 1.919 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.321 1.543 10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.573 -0.393 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.435 0.758 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.465 1.345 12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.747 1.093 12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.849 3.416 12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.465 3.057 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.413 3.859 10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.298 3.055 11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.563 4.548 11.578 1.00 0.00 H new ATOM 969 N HIS A 64 -6.302 -0.761 6.975 1.00 0.00 N ATOM 970 CA HIS A 64 -5.194 -1.585 6.503 1.00 0.00 C ATOM 971 C HIS A 64 -3.872 -0.830 6.611 1.00 0.00 C ATOM 972 O HIS A 64 -3.852 0.399 6.677 1.00 0.00 O ATOM 973 CB HIS A 64 -5.432 -2.016 5.056 1.00 0.00 C ATOM 974 CG HIS A 64 -6.564 -2.983 4.897 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.409 -4.241 4.354 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.875 -2.872 5.216 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.575 -4.861 4.344 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.482 -4.052 4.862 1.00 0.00 N ATOM 0 H HIS A 64 -6.624 -0.063 6.305 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.138 -2.472 7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.633 -1.132 4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.521 -2.469 4.666 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.354 -2.015 5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.756 -5.860 3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.472 -4.269 4.980 1.00 0.00 H new ATOM 987 N ILE A 65 -2.772 -1.575 6.630 1.00 0.00 N ATOM 988 CA ILE A 65 -1.446 -0.976 6.730 1.00 0.00 C ATOM 989 C ILE A 65 -0.436 -1.730 5.872 1.00 0.00 C ATOM 990 O ILE A 65 -0.072 -2.867 6.177 1.00 0.00 O ATOM 991 CB ILE A 65 -0.948 -0.951 8.187 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.878 -0.098 9.052 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.477 -0.422 8.250 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.004 -0.884 9.687 1.00 0.00 C ATOM 0 H ILE A 65 -2.772 -2.594 6.578 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.534 0.048 6.367 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.954 -1.969 8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.293 0.381 9.837 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.302 0.698 8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.815 -0.410 9.286 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.131 -1.066 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.507 0.590 7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.622 -0.215 10.285 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.613 -1.341 8.907 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.589 -1.663 10.326 1.00 0.00 H new ATOM 1006 N LEU A 66 0.014 -1.091 4.798 1.00 0.00 N ATOM 1007 CA LEU A 66 0.984 -1.700 3.896 1.00 0.00 C ATOM 1008 C LEU A 66 2.404 -1.271 4.252 1.00 0.00 C ATOM 1009 O LEU A 66 2.816 -0.149 3.956 1.00 0.00 O ATOM 1010 CB LEU A 66 0.673 -1.319 2.447 1.00 0.00 C ATOM 1011 CG LEU A 66 1.668 -1.809 1.395 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.572 -3.318 1.231 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.426 -1.110 0.065 1.00 0.00 C ATOM 0 H LEU A 66 -0.278 -0.151 4.531 1.00 0.00 H new ATOM 0 HA LEU A 66 0.913 -2.782 4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.313 -1.708 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.613 -0.233 2.383 1.00 0.00 H new ATOM 0 HG LEU A 66 2.675 -1.564 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.288 -3.648 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.796 -3.802 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.564 -3.586 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.143 -1.471 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.414 -1.323 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.547 -0.034 0.192 1.00 0.00 H new ATOM 1025 N ILE A 67 3.147 -2.171 4.887 1.00 0.00 N ATOM 1026 CA ILE A 67 4.521 -1.886 5.280 1.00 0.00 C ATOM 1027 C ILE A 67 5.504 -2.325 4.201 1.00 0.00 C ATOM 1028 O ILE A 67 5.278 -3.316 3.506 1.00 0.00 O ATOM 1029 CB ILE A 67 4.884 -2.584 6.604 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.222 -2.062 7.131 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.937 -4.092 6.410 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.419 -2.588 6.369 1.00 0.00 C ATOM 0 H ILE A 67 2.820 -3.104 5.140 1.00 0.00 H new ATOM 0 HA ILE A 67 4.593 -0.807 5.416 1.00 0.00 H new ATOM 0 HB ILE A 67 4.112 -2.359 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.222 -0.973 7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.321 -2.336 8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.195 -4.571 7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.964 -4.450 6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.691 -4.336 5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.333 -2.176 6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.444 -3.676 6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.343 -2.292 5.323 1.00 0.00 H new ATOM 1044 N ILE A 68 6.597 -1.581 4.066 1.00 0.00 N ATOM 1045 CA ILE A 68 7.617 -1.895 3.072 1.00 0.00 C ATOM 1046 C ILE A 68 9.010 -1.884 3.692 1.00 0.00 C ATOM 1047 O ILE A 68 9.584 -0.823 3.933 1.00 0.00 O ATOM 1048 CB ILE A 68 7.582 -0.902 1.896 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.141 -0.667 1.441 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.431 -1.416 0.743 1.00 0.00 C ATOM 1051 CD1 ILE A 68 5.993 0.487 0.474 1.00 0.00 C ATOM 0 H ILE A 68 6.799 -0.757 4.632 1.00 0.00 H new ATOM 0 HA ILE A 68 7.396 -2.895 2.698 1.00 0.00 H new ATOM 0 HB ILE A 68 7.997 0.049 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.764 -1.575 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.518 -0.480 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.396 -0.703 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.462 -1.536 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.044 -2.378 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.945 0.595 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.339 1.406 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.589 0.293 -0.418 1.00 0.00 H new ATOM 1063 N GLU A 69 9.549 -3.073 3.946 1.00 0.00 N ATOM 1064 CA GLU A 69 10.876 -3.199 4.537 1.00 0.00 C ATOM 1065 C GLU A 69 11.957 -2.812 3.532 1.00 0.00 C ATOM 1066 O GLU A 69 12.221 -3.541 2.577 1.00 0.00 O ATOM 1067 CB GLU A 69 11.107 -4.630 5.026 1.00 0.00 C ATOM 1068 CG GLU A 69 10.659 -4.863 6.460 1.00 0.00 C ATOM 1069 CD GLU A 69 10.207 -6.289 6.705 1.00 0.00 C ATOM 1070 OE1 GLU A 69 9.914 -6.998 5.719 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.147 -6.697 7.884 1.00 0.00 O ATOM 0 H GLU A 69 9.087 -3.962 3.752 1.00 0.00 H new ATOM 0 HA GLU A 69 10.934 -2.519 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.574 -5.319 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.168 -4.867 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.480 -4.625 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.842 -4.181 6.697 1.00 0.00 H new ATOM 1078 N GLY A 70 12.581 -1.659 3.757 1.00 0.00 N ATOM 1079 CA GLY A 70 13.626 -1.195 2.863 1.00 0.00 C ATOM 1080 C GLY A 70 13.078 -0.410 1.688 1.00 0.00 C ATOM 1081 O GLY A 70 12.894 -0.955 0.601 1.00 0.00 O ATOM 0 H GLY A 70 12.381 -1.039 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.325 -0.570 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.190 -2.051 2.493 1.00 0.00 H new ATOM 1085 N ALA A 71 12.814 0.874 1.908 1.00 0.00 N ATOM 1086 CA ALA A 71 12.284 1.735 0.858 1.00 0.00 C ATOM 1087 C ALA A 71 13.409 2.374 0.051 1.00 0.00 C ATOM 1088 O ALA A 71 13.930 3.428 0.417 1.00 0.00 O ATOM 1089 CB ALA A 71 11.388 2.809 1.459 1.00 0.00 C ATOM 0 H ALA A 71 12.958 1.340 2.804 1.00 0.00 H new ATOM 0 HA ALA A 71 11.692 1.119 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.999 3.445 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.558 2.338 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.965 3.414 2.158 1.00 0.00 H new ATOM 1095 N THR A 72 13.782 1.728 -1.049 1.00 0.00 N ATOM 1096 CA THR A 72 14.847 2.231 -1.907 1.00 0.00 C ATOM 1097 C THR A 72 14.283 3.061 -3.055 1.00 0.00 C ATOM 1098 O THR A 72 13.095 2.980 -3.368 1.00 0.00 O ATOM 1099 CB THR A 72 15.692 1.081 -2.487 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.753 -0.002 -1.553 1.00 0.00 O ATOM 1101 CG2 THR A 72 17.100 1.556 -2.814 1.00 0.00 C ATOM 0 H THR A 72 13.362 0.855 -1.367 1.00 0.00 H new ATOM 0 HA THR A 72 15.483 2.861 -1.285 1.00 0.00 H new ATOM 0 HB THR A 72 15.218 0.739 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.291 -0.729 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.678 0.727 -3.222 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.051 2.360 -3.548 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.581 1.921 -1.907 1.00 0.00 H new ATOM 1109 N LYS A 73 15.142 3.858 -3.681 1.00 0.00 N ATOM 1110 CA LYS A 73 14.731 4.702 -4.796 1.00 0.00 C ATOM 1111 C LYS A 73 13.651 4.016 -5.628 1.00 0.00 C ATOM 1112 O LYS A 73 12.602 4.598 -5.901 1.00 0.00 O ATOM 1113 CB LYS A 73 15.934 5.037 -5.680 1.00 0.00 C ATOM 1114 CG LYS A 73 16.659 6.306 -5.265 1.00 0.00 C ATOM 1115 CD LYS A 73 17.391 6.123 -3.946 1.00 0.00 C ATOM 1116 CE LYS A 73 17.860 7.455 -3.380 1.00 0.00 C ATOM 1117 NZ LYS A 73 16.740 8.225 -2.771 1.00 0.00 N ATOM 0 H LYS A 73 16.129 3.937 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 73 14.320 5.625 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.636 4.203 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.598 5.141 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.370 6.590 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.943 7.123 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.733 5.633 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.249 5.466 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.630 7.279 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.317 8.046 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.852 9.235 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.835 7.885 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.749 8.094 -1.739 1.00 0.00 H new ATOM 1131 N ALA A 74 13.916 2.777 -6.027 1.00 0.00 N ATOM 1132 CA ALA A 74 12.966 2.011 -6.824 1.00 0.00 C ATOM 1133 C ALA A 74 11.583 2.012 -6.181 1.00 0.00 C ATOM 1134 O ALA A 74 10.574 2.221 -6.855 1.00 0.00 O ATOM 1135 CB ALA A 74 13.462 0.585 -7.011 1.00 0.00 C ATOM 0 H ALA A 74 14.781 2.282 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 74 12.884 2.486 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.742 0.025 -7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.425 0.599 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.575 0.108 -6.037 1.00 0.00 H new ATOM 1141 N ASP A 75 11.544 1.778 -4.874 1.00 0.00 N ATOM 1142 CA ASP A 75 10.284 1.753 -4.139 1.00 0.00 C ATOM 1143 C ASP A 75 9.393 2.921 -4.548 1.00 0.00 C ATOM 1144 O ASP A 75 8.182 2.765 -4.705 1.00 0.00 O ATOM 1145 CB ASP A 75 10.547 1.799 -2.633 1.00 0.00 C ATOM 1146 CG ASP A 75 10.595 3.216 -2.097 1.00 0.00 C ATOM 1147 OD1 ASP A 75 9.577 3.930 -2.215 1.00 0.00 O ATOM 1148 OD2 ASP A 75 11.650 3.610 -1.558 1.00 0.00 O ATOM 0 H ASP A 75 12.370 1.603 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 75 9.768 0.824 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.766 1.243 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.491 1.300 -2.417 1.00 0.00 H new ATOM 1153 N ALA A 76 10.000 4.091 -4.719 1.00 0.00 N ATOM 1154 CA ALA A 76 9.261 5.285 -5.111 1.00 0.00 C ATOM 1155 C ALA A 76 8.340 4.998 -6.291 1.00 0.00 C ATOM 1156 O ALA A 76 8.739 5.125 -7.448 1.00 0.00 O ATOM 1157 CB ALA A 76 10.224 6.412 -5.452 1.00 0.00 C ATOM 0 H ALA A 76 11.001 4.237 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 76 8.642 5.593 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.659 7.298 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.837 6.643 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.867 6.104 -6.277 1.00 0.00 H new ATOM 1163 N ALA A 77 7.105 4.608 -5.991 1.00 0.00 N ATOM 1164 CA ALA A 77 6.126 4.305 -7.028 1.00 0.00 C ATOM 1165 C ALA A 77 4.713 4.637 -6.562 1.00 0.00 C ATOM 1166 O ALA A 77 4.473 4.837 -5.372 1.00 0.00 O ATOM 1167 CB ALA A 77 6.221 2.840 -7.430 1.00 0.00 C ATOM 0 H ALA A 77 6.759 4.495 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 77 6.349 4.925 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.485 2.627 -8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.220 2.632 -7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.026 2.211 -6.561 1.00 0.00 H new ATOM 1173 N GLU A 78 3.781 4.693 -7.509 1.00 0.00 N ATOM 1174 CA GLU A 78 2.391 5.003 -7.195 1.00 0.00 C ATOM 1175 C GLU A 78 1.668 3.772 -6.657 1.00 0.00 C ATOM 1176 O GLU A 78 1.258 2.897 -7.420 1.00 0.00 O ATOM 1177 CB GLU A 78 1.670 5.531 -8.437 1.00 0.00 C ATOM 1178 CG GLU A 78 0.224 5.923 -8.180 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.432 6.555 -9.392 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.504 5.886 -10.444 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -0.874 7.719 -9.288 1.00 0.00 O ATOM 0 H GLU A 78 3.963 4.528 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 78 2.382 5.774 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.210 6.397 -8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.698 4.768 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.341 5.039 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.184 6.621 -7.344 1.00 0.00 H new ATOM 1188 N TYR A 79 1.515 3.711 -5.339 1.00 0.00 N ATOM 1189 CA TYR A 79 0.844 2.587 -4.698 1.00 0.00 C ATOM 1190 C TYR A 79 -0.664 2.809 -4.648 1.00 0.00 C ATOM 1191 O TYR A 79 -1.150 3.687 -3.935 1.00 0.00 O ATOM 1192 CB TYR A 79 1.388 2.380 -3.284 1.00 0.00 C ATOM 1193 CG TYR A 79 2.832 1.935 -3.249 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.866 2.849 -3.411 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.164 0.599 -3.056 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.187 2.447 -3.381 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.482 0.188 -3.023 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.490 1.116 -3.186 1.00 0.00 C ATOM 1199 OH TYR A 79 6.805 0.710 -3.155 1.00 0.00 O ATOM 0 H TYR A 79 1.847 4.428 -4.693 1.00 0.00 H new ATOM 0 HA TYR A 79 1.041 1.693 -5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.290 3.311 -2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.775 1.637 -2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.633 3.892 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.377 -0.130 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.978 3.171 -3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.722 -0.854 -2.870 1.00 0.00 H new ATOM 0 HH TYR A 79 7.353 1.337 -3.671 1.00 0.00 H new ATOM 1209 N SER A 80 -1.400 2.006 -5.410 1.00 0.00 N ATOM 1210 CA SER A 80 -2.853 2.116 -5.456 1.00 0.00 C ATOM 1211 C SER A 80 -3.511 0.828 -4.970 1.00 0.00 C ATOM 1212 O SER A 80 -3.094 -0.272 -5.333 1.00 0.00 O ATOM 1213 CB SER A 80 -3.317 2.433 -6.879 1.00 0.00 C ATOM 1214 OG SER A 80 -2.653 3.576 -7.390 1.00 0.00 O ATOM 0 H SER A 80 -1.014 1.272 -6.004 1.00 0.00 H new ATOM 0 HA SER A 80 -3.152 2.929 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.125 1.577 -7.526 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.394 2.602 -6.885 1.00 0.00 H new ATOM 0 HG SER A 80 -2.966 3.756 -8.301 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.543 0.973 -4.144 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.260 -0.177 -3.607 1.00 0.00 C ATOM 1222 C VAL A 81 -6.547 -0.434 -4.384 1.00 0.00 C ATOM 1223 O VAL A 81 -7.022 0.430 -5.121 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.604 0.020 -2.119 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.451 0.693 -1.390 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.884 0.829 -1.970 1.00 0.00 C ATOM 0 H VAL A 81 -4.901 1.876 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.599 -1.037 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.766 -0.959 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.712 0.824 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.559 0.071 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.255 1.666 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.112 0.958 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.753 1.806 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.706 0.303 -2.456 1.00 0.00 H new ATOM 1236 N MET A 82 -7.106 -1.627 -4.215 1.00 0.00 N ATOM 1237 CA MET A 82 -8.339 -1.998 -4.899 1.00 0.00 C ATOM 1238 C MET A 82 -9.214 -2.873 -4.007 1.00 0.00 C ATOM 1239 O MET A 82 -8.803 -3.954 -3.585 1.00 0.00 O ATOM 1240 CB MET A 82 -8.023 -2.733 -6.203 1.00 0.00 C ATOM 1241 CG MET A 82 -9.087 -2.557 -7.274 1.00 0.00 C ATOM 1242 SD MET A 82 -10.368 -3.823 -7.195 1.00 0.00 S ATOM 1243 CE MET A 82 -9.538 -5.195 -7.994 1.00 0.00 C ATOM 0 H MET A 82 -6.725 -2.354 -3.610 1.00 0.00 H new ATOM 0 HA MET A 82 -8.886 -1.084 -5.129 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.068 -2.376 -6.589 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.904 -3.796 -5.992 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.546 -1.574 -7.167 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.616 -2.583 -8.257 1.00 0.00 H new ATOM 0 HE1 MET A 82 -9.911 -6.134 -7.585 1.00 0.00 H new ATOM 0 HE2 MET A 82 -9.732 -5.163 -9.066 1.00 0.00 H new ATOM 0 HE3 MET A 82 -8.465 -5.124 -7.817 1.00 0.00 H new ATOM 1253 N THR A 83 -10.423 -2.398 -3.724 1.00 0.00 N ATOM 1254 CA THR A 83 -11.355 -3.137 -2.881 1.00 0.00 C ATOM 1255 C THR A 83 -12.568 -3.601 -3.679 1.00 0.00 C ATOM 1256 O THR A 83 -12.706 -3.284 -4.861 1.00 0.00 O ATOM 1257 CB THR A 83 -11.834 -2.283 -1.691 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.531 -1.127 -2.167 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.659 -1.853 -0.826 1.00 0.00 C ATOM 0 H THR A 83 -10.779 -1.506 -4.066 1.00 0.00 H new ATOM 0 HA THR A 83 -10.818 -4.007 -2.502 1.00 0.00 H new ATOM 0 HB THR A 83 -12.508 -2.889 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.394 -1.053 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.022 -1.251 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.148 -2.736 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.964 -1.263 -1.424 1.00 0.00 H new ATOM 1267 N THR A 84 -13.447 -4.355 -3.026 1.00 0.00 N ATOM 1268 CA THR A 84 -14.649 -4.864 -3.675 1.00 0.00 C ATOM 1269 C THR A 84 -15.367 -3.762 -4.445 1.00 0.00 C ATOM 1270 O THR A 84 -15.935 -4.004 -5.509 1.00 0.00 O ATOM 1271 CB THR A 84 -15.623 -5.478 -2.651 1.00 0.00 C ATOM 1272 OG1 THR A 84 -16.064 -4.473 -1.732 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.961 -6.615 -1.888 1.00 0.00 C ATOM 0 H THR A 84 -13.349 -4.627 -2.048 1.00 0.00 H new ATOM 0 HA THR A 84 -14.328 -5.639 -4.371 1.00 0.00 H new ATOM 0 HB THR A 84 -16.481 -5.877 -3.192 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.963 -4.695 -1.411 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.668 -7.032 -1.171 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.653 -7.392 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 84 -14.087 -6.237 -1.357 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.335 -2.549 -3.901 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.987 -1.427 -4.551 1.00 0.00 C ATOM 1283 C GLY A 85 -15.312 -0.106 -4.241 1.00 0.00 C ATOM 1284 O GLY A 85 -15.978 0.882 -3.935 1.00 0.00 O ATOM 0 H GLY A 85 -14.869 -2.323 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.989 -1.587 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.029 -1.382 -4.234 1.00 0.00 H new ATOM 1288 N GLY A 86 -13.985 -0.088 -4.318 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.242 1.127 -4.038 1.00 0.00 C ATOM 1290 C GLY A 86 -11.828 1.081 -4.582 1.00 0.00 C ATOM 1291 O GLY A 86 -11.284 0.003 -4.821 1.00 0.00 O ATOM 0 H GLY A 86 -13.411 -0.893 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.767 1.978 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.208 1.288 -2.961 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.232 2.252 -4.778 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.874 2.340 -5.300 1.00 0.00 C ATOM 1297 C GLN A 87 -9.207 3.642 -4.868 1.00 0.00 C ATOM 1298 O GLN A 87 -9.845 4.695 -4.832 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.884 2.240 -6.826 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.623 3.382 -7.506 1.00 0.00 C ATOM 1301 CD GLN A 87 -12.094 3.422 -7.143 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -12.735 2.382 -6.982 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -12.640 4.625 -7.011 1.00 0.00 N ATOM 0 H GLN A 87 -11.668 3.153 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.301 1.507 -4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.856 2.218 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.345 1.296 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.158 4.328 -7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.522 3.283 -8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.073 5.461 -7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.627 4.713 -6.767 1.00 0.00 H new ATOM 1312 N SER A 88 -7.922 3.563 -4.540 1.00 0.00 N ATOM 1313 CA SER A 88 -7.170 4.734 -4.106 1.00 0.00 C ATOM 1314 C SER A 88 -5.726 4.664 -4.593 1.00 0.00 C ATOM 1315 O SER A 88 -5.233 3.597 -4.959 1.00 0.00 O ATOM 1316 CB SER A 88 -7.200 4.850 -2.580 1.00 0.00 C ATOM 1317 OG SER A 88 -6.935 6.178 -2.164 1.00 0.00 O ATOM 0 H SER A 88 -7.379 2.700 -4.567 1.00 0.00 H new ATOM 0 HA SER A 88 -7.639 5.617 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.175 4.537 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.462 4.176 -2.146 1.00 0.00 H new ATOM 0 HG SER A 88 -5.969 6.342 -2.188 1.00 0.00 H new ATOM 1323 N SER A 89 -5.053 5.811 -4.595 1.00 0.00 N ATOM 1324 CA SER A 89 -3.666 5.882 -5.041 1.00 0.00 C ATOM 1325 C SER A 89 -2.901 6.951 -4.267 1.00 0.00 C ATOM 1326 O SER A 89 -3.481 7.931 -3.803 1.00 0.00 O ATOM 1327 CB SER A 89 -3.605 6.180 -6.541 1.00 0.00 C ATOM 1328 OG SER A 89 -2.264 6.287 -6.985 1.00 0.00 O ATOM 0 H SER A 89 -5.445 6.703 -4.293 1.00 0.00 H new ATOM 0 HA SER A 89 -3.199 4.916 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.112 5.389 -7.093 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.137 7.108 -6.753 1.00 0.00 H new ATOM 0 HG SER A 89 -2.110 7.184 -7.348 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.594 6.753 -4.133 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.747 7.700 -3.418 1.00 0.00 C ATOM 1336 C ALA A 90 0.613 7.839 -4.093 1.00 0.00 C ATOM 1337 O ALA A 90 0.895 7.173 -5.089 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.578 7.267 -1.969 1.00 0.00 C ATOM 0 H ALA A 90 -1.098 5.945 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.235 8.674 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.057 7.983 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.554 7.227 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.116 6.281 -1.936 1.00 0.00 H new ATOM 1344 N LYS A 91 1.454 8.709 -3.544 1.00 0.00 N ATOM 1345 CA LYS A 91 2.787 8.936 -4.092 1.00 0.00 C ATOM 1346 C LYS A 91 3.856 8.737 -3.022 1.00 0.00 C ATOM 1347 O LYS A 91 3.842 9.403 -1.986 1.00 0.00 O ATOM 1348 CB LYS A 91 2.888 10.347 -4.674 1.00 0.00 C ATOM 1349 CG LYS A 91 2.250 10.487 -6.045 1.00 0.00 C ATOM 1350 CD LYS A 91 2.869 11.629 -6.834 1.00 0.00 C ATOM 1351 CE LYS A 91 4.197 11.223 -7.453 1.00 0.00 C ATOM 1352 NZ LYS A 91 4.558 12.089 -8.610 1.00 0.00 N ATOM 0 H LYS A 91 1.236 9.269 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 91 2.955 8.210 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.413 11.049 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.939 10.629 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.367 9.555 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.179 10.659 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.182 11.945 -7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.019 12.486 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.982 11.279 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.143 10.185 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.469 11.780 -9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.822 12.016 -9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.635 13.077 -8.294 1.00 0.00 H new ATOM 1366 N LEU A 92 4.781 7.820 -3.280 1.00 0.00 N ATOM 1367 CA LEU A 92 5.860 7.536 -2.340 1.00 0.00 C ATOM 1368 C LEU A 92 7.179 8.123 -2.830 1.00 0.00 C ATOM 1369 O LEU A 92 7.786 7.612 -3.771 1.00 0.00 O ATOM 1370 CB LEU A 92 6.003 6.026 -2.139 1.00 0.00 C ATOM 1371 CG LEU A 92 6.905 5.585 -0.986 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.597 6.386 0.269 1.00 0.00 C ATOM 1373 CD2 LEU A 92 6.743 4.095 -0.723 1.00 0.00 C ATOM 0 H LEU A 92 4.806 7.260 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 92 5.610 8.001 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.010 5.605 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.388 5.592 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 92 7.941 5.774 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.249 6.058 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.764 7.445 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.557 6.229 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.392 3.798 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.706 3.882 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.014 3.536 -1.618 1.00 0.00 H new ATOM 1385 N SER A 93 7.619 9.198 -2.185 1.00 0.00 N ATOM 1386 CA SER A 93 8.866 9.856 -2.556 1.00 0.00 C ATOM 1387 C SER A 93 10.025 9.345 -1.705 1.00 0.00 C ATOM 1388 O SER A 93 9.934 9.295 -0.478 1.00 0.00 O ATOM 1389 CB SER A 93 8.734 11.372 -2.400 1.00 0.00 C ATOM 1390 OG SER A 93 8.198 11.961 -3.572 1.00 0.00 O ATOM 0 H SER A 93 7.130 9.632 -1.402 1.00 0.00 H new ATOM 0 HA SER A 93 9.074 9.622 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.092 11.598 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.711 11.805 -2.186 1.00 0.00 H new ATOM 0 HG SER A 93 8.122 12.930 -3.446 1.00 0.00 H new ATOM 1396 N VAL A 94 11.114 8.965 -2.366 1.00 0.00 N ATOM 1397 CA VAL A 94 12.291 8.458 -1.671 1.00 0.00 C ATOM 1398 C VAL A 94 13.462 9.427 -1.796 1.00 0.00 C ATOM 1399 O VAL A 94 13.791 9.882 -2.892 1.00 0.00 O ATOM 1400 CB VAL A 94 12.717 7.083 -2.218 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.750 6.441 -1.305 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.505 6.178 -2.384 1.00 0.00 C ATOM 0 H VAL A 94 11.205 8.999 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 94 12.018 8.354 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 94 13.173 7.226 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.039 5.470 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.628 7.083 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.324 6.309 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.824 5.210 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.019 6.040 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.803 6.635 -3.082 1.00 0.00 H new ATOM 1412 N ASP A 95 14.089 9.738 -0.667 1.00 0.00 N ATOM 1413 CA ASP A 95 15.225 10.652 -0.649 1.00 0.00 C ATOM 1414 C ASP A 95 16.333 10.124 0.257 1.00 0.00 C ATOM 1415 O ASP A 95 16.124 9.188 1.031 1.00 0.00 O ATOM 1416 CB ASP A 95 14.784 12.039 -0.181 1.00 0.00 C ATOM 1417 CG ASP A 95 14.296 12.908 -1.323 1.00 0.00 C ATOM 1418 OD1 ASP A 95 13.588 12.382 -2.207 1.00 0.00 O ATOM 1419 OD2 ASP A 95 14.623 14.113 -1.334 1.00 0.00 O ATOM 0 H ASP A 95 13.830 9.370 0.248 1.00 0.00 H new ATOM 0 HA ASP A 95 15.615 10.727 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.989 11.934 0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.618 12.533 0.317 1.00 0.00 H new