USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.672 (180deg=-1.37!) USER MOD Single : A 2 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -39:sc= 0.749 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 -114:sc= 0.46 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 25 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 135:sc= -0.0836 (180deg=-1.25) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0694) USER MOD Single : A 31 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.01 K(o=-3,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.032 K(o=-0.032,f=-0.72) USER MOD Single : A 55 THR OG1 : rot -90:sc= -0.903 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -15:sc= -4.58! USER MOD Single : A 60 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.072) USER MOD Single : A 62 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 42:sc= -0.9! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.812 -5.702 5.011 1.00 0.00 N ATOM 2 CA MET A 1 -12.747 -5.053 6.309 1.00 0.00 C ATOM 3 C MET A 1 -11.962 -3.743 6.229 1.00 0.00 C ATOM 4 O MET A 1 -11.573 -3.313 5.143 1.00 0.00 O ATOM 5 CB MET A 1 -12.074 -5.990 7.315 1.00 0.00 C ATOM 6 CG MET A 1 -10.716 -6.465 6.798 1.00 0.00 C ATOM 7 SD MET A 1 -10.121 -7.819 7.798 1.00 0.00 S ATOM 8 CE MET A 1 -10.955 -9.182 7.001 1.00 0.00 C ATOM 0 H1 MET A 1 -13.166 -6.673 5.126 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.454 -5.171 4.389 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.862 -5.728 4.588 1.00 0.00 H new ATOM 0 HA MET A 1 -13.763 -4.827 6.632 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.945 -5.475 8.267 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.717 -6.850 7.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.804 -6.781 5.759 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.001 -5.643 6.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.693 -10.113 7.504 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.033 -9.031 7.056 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.649 -9.235 5.956 1.00 0.00 H new ATOM 18 N GLN A 2 -11.752 -3.142 7.391 1.00 0.00 N ATOM 19 CA GLN A 2 -11.021 -1.889 7.466 1.00 0.00 C ATOM 20 C GLN A 2 -9.522 -2.157 7.611 1.00 0.00 C ATOM 21 O GLN A 2 -9.122 -3.163 8.196 1.00 0.00 O ATOM 22 CB GLN A 2 -11.536 -1.021 8.615 1.00 0.00 C ATOM 23 CG GLN A 2 -10.720 0.267 8.738 1.00 0.00 C ATOM 24 CD GLN A 2 -11.403 1.263 9.678 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.042 1.413 10.833 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.408 1.931 9.120 1.00 0.00 N ATOM 0 H GLN A 2 -12.076 -3.500 8.289 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.184 -1.340 6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.585 -0.776 8.449 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.483 -1.580 9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.722 0.035 9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.595 0.718 7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.658 1.757 8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.929 2.618 9.665 1.00 0.00 H new ATOM 35 N ILE A 3 -8.733 -1.240 7.069 1.00 0.00 N ATOM 36 CA ILE A 3 -7.288 -1.365 7.131 1.00 0.00 C ATOM 37 C ILE A 3 -6.672 0.009 7.403 1.00 0.00 C ATOM 38 O ILE A 3 -7.309 1.034 7.172 1.00 0.00 O ATOM 39 CB ILE A 3 -6.753 -2.040 5.866 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.922 -1.131 4.647 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.405 -3.408 5.656 1.00 0.00 C ATOM 42 CD1 ILE A 3 -8.308 -1.303 4.024 1.00 0.00 C ATOM 0 H ILE A 3 -9.068 -0.407 6.585 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.997 -2.014 7.957 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.684 -2.210 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.778 -0.091 4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.155 -1.362 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.007 -3.866 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.190 -4.049 6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.484 -3.286 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.402 -0.646 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.439 -2.338 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.071 -1.048 4.759 1.00 0.00 H new ATOM 54 N PHE A 4 -5.439 -0.016 7.890 1.00 0.00 N ATOM 55 CA PHE A 4 -4.731 1.216 8.195 1.00 0.00 C ATOM 56 C PHE A 4 -3.457 1.337 7.357 1.00 0.00 C ATOM 57 O PHE A 4 -2.455 0.684 7.646 1.00 0.00 O ATOM 58 CB PHE A 4 -4.351 1.157 9.675 1.00 0.00 C ATOM 59 CG PHE A 4 -5.508 1.460 10.628 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.645 0.715 10.577 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.402 2.476 11.526 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.719 0.995 11.461 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.477 2.758 12.411 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.613 2.011 12.359 1.00 0.00 C ATOM 0 H PHE A 4 -4.913 -0.869 8.081 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.363 2.075 7.971 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.960 0.165 9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.545 1.867 9.861 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.730 -0.091 9.863 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.500 3.069 11.566 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.620 0.402 11.421 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.393 3.565 13.124 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.431 2.225 13.031 1.00 0.00 H new ATOM 74 N VAL A 5 -3.536 2.177 6.335 1.00 0.00 N ATOM 75 CA VAL A 5 -2.401 2.393 5.454 1.00 0.00 C ATOM 76 C VAL A 5 -1.554 3.547 5.992 1.00 0.00 C ATOM 77 O VAL A 5 -2.092 4.536 6.491 1.00 0.00 O ATOM 78 CB VAL A 5 -2.888 2.624 4.022 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.260 4.092 3.800 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.841 2.164 3.006 1.00 0.00 C ATOM 0 H VAL A 5 -4.369 2.716 6.098 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.764 1.509 5.428 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.786 2.024 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.603 4.229 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.056 4.374 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.387 4.720 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.212 2.339 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.918 2.724 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.646 1.100 3.141 1.00 0.00 H new ATOM 90 N LYS A 6 -0.246 3.384 5.874 1.00 0.00 N ATOM 91 CA LYS A 6 0.681 4.401 6.343 1.00 0.00 C ATOM 92 C LYS A 6 1.286 5.127 5.140 1.00 0.00 C ATOM 93 O LYS A 6 1.472 4.531 4.080 1.00 0.00 O ATOM 94 CB LYS A 6 1.724 3.786 7.278 1.00 0.00 C ATOM 95 CG LYS A 6 1.299 3.926 8.741 1.00 0.00 C ATOM 96 CD LYS A 6 1.213 2.558 9.422 1.00 0.00 C ATOM 97 CE LYS A 6 0.095 2.534 10.464 1.00 0.00 C ATOM 98 NZ LYS A 6 0.611 2.949 11.788 1.00 0.00 N ATOM 0 H LYS A 6 0.196 2.563 5.460 1.00 0.00 H new ATOM 0 HA LYS A 6 0.156 5.149 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.860 2.732 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.686 4.275 7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.013 4.556 9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.331 4.425 8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.034 1.786 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.165 2.325 9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.711 3.200 10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.327 1.531 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.161 2.927 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.365 2.298 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.993 3.914 11.725 1.00 0.00 H new ATOM 112 N THR A 7 1.578 6.404 5.344 1.00 0.00 N ATOM 113 CA THR A 7 2.158 7.217 4.290 1.00 0.00 C ATOM 114 C THR A 7 3.671 7.343 4.484 1.00 0.00 C ATOM 115 O THR A 7 4.198 6.969 5.530 1.00 0.00 O ATOM 116 CB THR A 7 1.433 8.564 4.278 1.00 0.00 C ATOM 117 OG1 THR A 7 0.058 8.219 4.423 1.00 0.00 O ATOM 118 CG2 THR A 7 1.502 9.254 2.914 1.00 0.00 C ATOM 0 H THR A 7 1.423 6.895 6.225 1.00 0.00 H new ATOM 0 HA THR A 7 2.025 6.751 3.314 1.00 0.00 H new ATOM 0 HB THR A 7 1.866 9.216 5.037 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.485 9.035 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.972 10.205 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.544 9.432 2.648 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.039 8.617 2.160 1.00 0.00 H new ATOM 126 N LEU A 8 4.325 7.870 3.460 1.00 0.00 N ATOM 127 CA LEU A 8 5.766 8.050 3.505 1.00 0.00 C ATOM 128 C LEU A 8 6.115 9.054 4.606 1.00 0.00 C ATOM 129 O LEU A 8 7.280 9.190 4.980 1.00 0.00 O ATOM 130 CB LEU A 8 6.301 8.439 2.126 1.00 0.00 C ATOM 131 CG LEU A 8 7.782 8.145 1.874 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.046 6.639 1.852 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.265 8.830 0.594 1.00 0.00 C ATOM 0 H LEU A 8 3.884 8.178 2.594 1.00 0.00 H new ATOM 0 HA LEU A 8 6.260 7.112 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.714 7.918 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.133 9.506 1.981 1.00 0.00 H new ATOM 0 HG LEU A 8 8.359 8.560 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.106 6.458 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.762 6.206 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.459 6.178 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.320 8.606 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.686 8.465 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.133 9.908 0.686 1.00 0.00 H new ATOM 145 N THR A 9 5.087 9.730 5.095 1.00 0.00 N ATOM 146 CA THR A 9 5.271 10.717 6.145 1.00 0.00 C ATOM 147 C THR A 9 4.885 10.129 7.503 1.00 0.00 C ATOM 148 O THR A 9 4.741 10.859 8.482 1.00 0.00 O ATOM 149 CB THR A 9 4.465 11.963 5.770 1.00 0.00 C ATOM 150 OG1 THR A 9 4.874 12.941 6.722 1.00 0.00 O ATOM 151 CG2 THR A 9 2.967 11.792 6.032 1.00 0.00 C ATOM 0 H THR A 9 4.123 9.614 4.783 1.00 0.00 H new ATOM 0 HA THR A 9 6.318 11.006 6.237 1.00 0.00 H new ATOM 0 HB THR A 9 4.625 12.195 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.981 12.519 7.600 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.442 12.704 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.588 10.957 5.443 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.803 11.593 7.091 1.00 0.00 H new ATOM 159 N GLY A 10 4.727 8.813 7.519 1.00 0.00 N ATOM 160 CA GLY A 10 4.359 8.119 8.741 1.00 0.00 C ATOM 161 C GLY A 10 2.931 8.471 9.165 1.00 0.00 C ATOM 162 O GLY A 10 2.546 8.244 10.311 1.00 0.00 O ATOM 0 H GLY A 10 4.847 8.210 6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.442 7.043 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.054 8.385 9.537 1.00 0.00 H new ATOM 166 N LYS A 11 2.186 9.021 8.217 1.00 0.00 N ATOM 167 CA LYS A 11 0.810 9.407 8.477 1.00 0.00 C ATOM 168 C LYS A 11 -0.074 8.158 8.484 1.00 0.00 C ATOM 169 O LYS A 11 0.199 7.197 7.765 1.00 0.00 O ATOM 170 CB LYS A 11 0.356 10.476 7.480 1.00 0.00 C ATOM 171 CG LYS A 11 -1.158 10.687 7.555 1.00 0.00 C ATOM 172 CD LYS A 11 -1.521 12.150 7.295 1.00 0.00 C ATOM 173 CE LYS A 11 -3.033 12.320 7.135 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.400 13.754 7.165 1.00 0.00 N ATOM 0 H LYS A 11 2.510 9.208 7.268 1.00 0.00 H new ATOM 0 HA LYS A 11 0.723 9.865 9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.869 11.415 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.636 10.178 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.654 10.050 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.522 10.387 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.167 12.768 8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.015 12.500 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.357 11.875 6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.551 11.789 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.430 13.851 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.108 14.168 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.920 14.251 6.388 1.00 0.00 H new ATOM 188 N THR A 12 -1.112 8.211 9.304 1.00 0.00 N ATOM 189 CA THR A 12 -2.038 7.096 9.414 1.00 0.00 C ATOM 190 C THR A 12 -3.330 7.398 8.653 1.00 0.00 C ATOM 191 O THR A 12 -4.025 8.365 8.961 1.00 0.00 O ATOM 192 CB THR A 12 -2.259 6.811 10.901 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.954 6.539 11.401 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.029 5.510 11.139 1.00 0.00 C ATOM 0 H THR A 12 -1.333 9.009 9.899 1.00 0.00 H new ATOM 0 HA THR A 12 -1.631 6.196 8.953 1.00 0.00 H new ATOM 0 HB THR A 12 -2.801 7.642 11.353 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.005 6.345 12.360 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.159 5.355 12.210 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.006 5.573 10.660 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.471 4.674 10.716 1.00 0.00 H new ATOM 202 N ILE A 13 -3.614 6.552 7.674 1.00 0.00 N ATOM 203 CA ILE A 13 -4.810 6.716 6.866 1.00 0.00 C ATOM 204 C ILE A 13 -5.627 5.422 6.904 1.00 0.00 C ATOM 205 O ILE A 13 -5.184 4.390 6.401 1.00 0.00 O ATOM 206 CB ILE A 13 -4.444 7.172 5.453 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.711 8.515 5.482 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.681 7.213 4.552 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.199 8.889 4.090 1.00 0.00 C ATOM 0 H ILE A 13 -3.036 5.750 7.422 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.442 7.504 7.276 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.758 6.441 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.382 9.292 5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.875 8.462 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.393 7.540 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.122 6.218 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.410 7.910 4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.682 9.847 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.509 8.122 3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.040 8.965 3.401 1.00 0.00 H new ATOM 221 N THR A 14 -6.804 5.520 7.504 1.00 0.00 N ATOM 222 CA THR A 14 -7.686 4.371 7.612 1.00 0.00 C ATOM 223 C THR A 14 -8.716 4.380 6.481 1.00 0.00 C ATOM 224 O THR A 14 -9.273 5.425 6.151 1.00 0.00 O ATOM 225 CB THR A 14 -8.317 4.390 9.007 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.268 4.851 9.855 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.627 2.985 9.528 1.00 0.00 C ATOM 0 H THR A 14 -7.167 6.377 7.920 1.00 0.00 H new ATOM 0 HA THR A 14 -7.134 3.438 7.500 1.00 0.00 H new ATOM 0 HB THR A 14 -9.234 4.979 8.983 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.007 4.135 10.472 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.073 3.055 10.520 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.324 2.491 8.851 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.705 2.406 9.585 1.00 0.00 H new ATOM 235 N LEU A 15 -8.936 3.201 5.916 1.00 0.00 N ATOM 236 CA LEU A 15 -9.888 3.059 4.827 1.00 0.00 C ATOM 237 C LEU A 15 -10.698 1.777 5.029 1.00 0.00 C ATOM 238 O LEU A 15 -10.137 0.723 5.322 1.00 0.00 O ATOM 239 CB LEU A 15 -9.172 3.129 3.478 1.00 0.00 C ATOM 240 CG LEU A 15 -10.041 3.514 2.277 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.868 4.765 2.578 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.190 3.678 1.016 1.00 0.00 C ATOM 0 H LEU A 15 -8.471 2.336 6.192 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.596 3.887 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.358 3.849 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.720 2.158 3.278 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.743 2.702 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.476 5.017 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.517 4.575 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.201 5.596 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.831 3.951 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.449 4.461 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.683 2.739 0.794 1.00 0.00 H new ATOM 254 N GLU A 16 -12.007 1.910 4.864 1.00 0.00 N ATOM 255 CA GLU A 16 -12.900 0.776 5.024 1.00 0.00 C ATOM 256 C GLU A 16 -13.172 0.119 3.669 1.00 0.00 C ATOM 257 O GLU A 16 -13.738 0.745 2.774 1.00 0.00 O ATOM 258 CB GLU A 16 -14.206 1.198 5.701 1.00 0.00 C ATOM 259 CG GLU A 16 -15.021 2.121 4.793 1.00 0.00 C ATOM 260 CD GLU A 16 -16.154 2.793 5.571 1.00 0.00 C ATOM 261 OE1 GLU A 16 -15.839 3.727 6.339 1.00 0.00 O ATOM 262 OE2 GLU A 16 -17.310 2.360 5.378 1.00 0.00 O ATOM 0 H GLU A 16 -12.469 2.786 4.621 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.414 0.044 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.794 0.314 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.985 1.707 6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.370 2.881 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.435 1.548 3.963 1.00 0.00 H new ATOM 269 N VAL A 17 -12.756 -1.134 3.561 1.00 0.00 N ATOM 270 CA VAL A 17 -12.947 -1.882 2.330 1.00 0.00 C ATOM 271 C VAL A 17 -13.413 -3.300 2.667 1.00 0.00 C ATOM 272 O VAL A 17 -13.553 -3.649 3.838 1.00 0.00 O ATOM 273 CB VAL A 17 -11.664 -1.857 1.497 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.163 -0.423 1.306 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.582 -2.736 2.129 1.00 0.00 C ATOM 0 H VAL A 17 -12.287 -1.650 4.306 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.723 -1.420 1.720 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.895 -2.266 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.250 -0.433 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.925 0.163 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.957 0.023 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.681 -2.700 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.355 -2.370 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.938 -3.764 2.190 1.00 0.00 H new ATOM 285 N GLU A 18 -13.639 -4.080 1.620 1.00 0.00 N ATOM 286 CA GLU A 18 -14.085 -5.452 1.791 1.00 0.00 C ATOM 287 C GLU A 18 -12.953 -6.424 1.455 1.00 0.00 C ATOM 288 O GLU A 18 -12.004 -6.062 0.760 1.00 0.00 O ATOM 289 CB GLU A 18 -15.323 -5.735 0.938 1.00 0.00 C ATOM 290 CG GLU A 18 -16.589 -5.748 1.795 1.00 0.00 C ATOM 291 CD GLU A 18 -17.844 -5.700 0.922 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.249 -4.570 0.572 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.370 -6.793 0.623 1.00 0.00 O ATOM 0 H GLU A 18 -13.521 -3.788 0.650 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.363 -5.597 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.414 -4.977 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.210 -6.695 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.605 -6.646 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.581 -4.895 2.474 1.00 0.00 H new ATOM 300 N PRO A 19 -13.092 -7.672 1.978 1.00 0.00 N ATOM 301 CA PRO A 19 -12.093 -8.699 1.740 1.00 0.00 C ATOM 302 C PRO A 19 -12.196 -9.247 0.315 1.00 0.00 C ATOM 303 O PRO A 19 -11.282 -9.915 -0.165 1.00 0.00 O ATOM 304 CB PRO A 19 -12.354 -9.755 2.803 1.00 0.00 C ATOM 305 CG PRO A 19 -13.770 -9.508 3.298 1.00 0.00 C ATOM 306 CD PRO A 19 -14.202 -8.136 2.805 1.00 0.00 C ATOM 0 HA PRO A 19 -11.074 -8.319 1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.255 -10.758 2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.636 -9.674 3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.445 -10.278 2.925 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.807 -9.552 4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.126 -8.195 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.387 -7.457 3.637 1.00 0.00 H new ATOM 314 N SER A 20 -13.319 -8.944 -0.320 1.00 0.00 N ATOM 315 CA SER A 20 -13.554 -9.397 -1.680 1.00 0.00 C ATOM 316 C SER A 20 -13.019 -8.366 -2.676 1.00 0.00 C ATOM 317 O SER A 20 -12.695 -8.705 -3.813 1.00 0.00 O ATOM 318 CB SER A 20 -15.043 -9.650 -1.927 1.00 0.00 C ATOM 319 OG SER A 20 -15.338 -11.040 -2.031 1.00 0.00 O ATOM 0 H SER A 20 -14.076 -8.391 0.082 1.00 0.00 H new ATOM 0 HA SER A 20 -13.024 -10.339 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.624 -9.216 -1.114 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.350 -9.145 -2.843 1.00 0.00 H new ATOM 0 HG SER A 20 -16.298 -11.160 -2.187 1.00 0.00 H new ATOM 325 N ASP A 21 -12.941 -7.127 -2.211 1.00 0.00 N ATOM 326 CA ASP A 21 -12.451 -6.044 -3.047 1.00 0.00 C ATOM 327 C ASP A 21 -10.979 -6.294 -3.386 1.00 0.00 C ATOM 328 O ASP A 21 -10.225 -6.799 -2.556 1.00 0.00 O ATOM 329 CB ASP A 21 -12.548 -4.701 -2.321 1.00 0.00 C ATOM 330 CG ASP A 21 -13.886 -4.437 -1.629 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.848 -5.166 -1.954 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.917 -3.511 -0.789 1.00 0.00 O ATOM 0 H ASP A 21 -13.209 -6.850 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.062 -6.011 -3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.754 -4.649 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.363 -3.902 -3.039 1.00 0.00 H new ATOM 337 N THR A 22 -10.615 -5.927 -4.606 1.00 0.00 N ATOM 338 CA THR A 22 -9.249 -6.104 -5.064 1.00 0.00 C ATOM 339 C THR A 22 -8.388 -4.909 -4.650 1.00 0.00 C ATOM 340 O THR A 22 -8.911 -3.880 -4.225 1.00 0.00 O ATOM 341 CB THR A 22 -9.282 -6.334 -6.576 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.320 -5.471 -7.034 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.773 -7.735 -6.946 1.00 0.00 C ATOM 0 H THR A 22 -11.243 -5.508 -5.291 1.00 0.00 H new ATOM 0 HA THR A 22 -8.787 -6.974 -4.599 1.00 0.00 H new ATOM 0 HB THR A 22 -8.285 -6.179 -6.989 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.410 -5.554 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.777 -7.845 -8.030 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.109 -8.481 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.783 -7.879 -6.563 1.00 0.00 H new ATOM 351 N ILE A 23 -7.082 -5.085 -4.787 1.00 0.00 N ATOM 352 CA ILE A 23 -6.144 -4.034 -4.433 1.00 0.00 C ATOM 353 C ILE A 23 -6.433 -2.792 -5.279 1.00 0.00 C ATOM 354 O ILE A 23 -6.259 -1.666 -4.815 1.00 0.00 O ATOM 355 CB ILE A 23 -4.704 -4.538 -4.552 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.392 -5.568 -3.465 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.712 -3.373 -4.540 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.270 -4.899 -2.094 1.00 0.00 C ATOM 0 H ILE A 23 -6.651 -5.940 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.271 -3.746 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.597 -5.042 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.179 -6.322 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.463 -6.085 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.696 -3.759 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.920 -2.709 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.812 -2.820 -3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.048 -5.654 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.466 -4.163 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.209 -4.403 -1.846 1.00 0.00 H new ATOM 370 N GLU A 24 -6.867 -3.039 -6.506 1.00 0.00 N ATOM 371 CA GLU A 24 -7.182 -1.955 -7.420 1.00 0.00 C ATOM 372 C GLU A 24 -8.377 -1.153 -6.902 1.00 0.00 C ATOM 373 O GLU A 24 -8.442 0.061 -7.087 1.00 0.00 O ATOM 374 CB GLU A 24 -7.447 -2.486 -8.830 1.00 0.00 C ATOM 375 CG GLU A 24 -8.901 -2.940 -8.981 1.00 0.00 C ATOM 376 CD GLU A 24 -9.792 -1.783 -9.435 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.578 -1.315 -10.574 1.00 0.00 O ATOM 378 OE2 GLU A 24 -10.667 -1.392 -8.633 1.00 0.00 O ATOM 0 H GLU A 24 -7.008 -3.974 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.320 -1.290 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.227 -1.709 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.778 -3.321 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.958 -3.753 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.264 -3.332 -8.031 1.00 0.00 H new ATOM 385 N ASN A 25 -9.296 -1.865 -6.266 1.00 0.00 N ATOM 386 CA ASN A 25 -10.486 -1.236 -5.720 1.00 0.00 C ATOM 387 C ASN A 25 -10.094 -0.360 -4.529 1.00 0.00 C ATOM 388 O ASN A 25 -10.509 0.795 -4.439 1.00 0.00 O ATOM 389 CB ASN A 25 -11.487 -2.282 -5.227 1.00 0.00 C ATOM 390 CG ASN A 25 -12.892 -1.688 -5.115 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.798 -2.026 -5.859 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.022 -0.786 -4.147 1.00 0.00 N ATOM 0 H ASN A 25 -9.240 -2.872 -6.117 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.945 -0.643 -6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.500 -3.129 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.171 -2.663 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.921 -0.331 -3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.222 -0.549 -3.560 1.00 0.00 H new ATOM 399 N VAL A 26 -9.298 -0.942 -3.643 1.00 0.00 N ATOM 400 CA VAL A 26 -8.844 -0.229 -2.461 1.00 0.00 C ATOM 401 C VAL A 26 -7.976 0.957 -2.888 1.00 0.00 C ATOM 402 O VAL A 26 -8.055 2.033 -2.297 1.00 0.00 O ATOM 403 CB VAL A 26 -8.121 -1.190 -1.515 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.756 -0.495 -0.202 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.963 -2.442 -1.258 1.00 0.00 C ATOM 0 H VAL A 26 -8.956 -1.900 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.693 0.172 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.195 -1.502 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.243 -1.200 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.101 0.351 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.664 -0.141 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.427 -3.109 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.913 -2.155 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.150 -2.955 -2.202 1.00 0.00 H new ATOM 415 N LYS A 27 -7.168 0.719 -3.910 1.00 0.00 N ATOM 416 CA LYS A 27 -6.285 1.754 -4.423 1.00 0.00 C ATOM 417 C LYS A 27 -7.125 2.878 -5.032 1.00 0.00 C ATOM 418 O LYS A 27 -6.804 4.055 -4.872 1.00 0.00 O ATOM 419 CB LYS A 27 -5.263 1.155 -5.391 1.00 0.00 C ATOM 420 CG LYS A 27 -4.099 0.514 -4.633 1.00 0.00 C ATOM 421 CD LYS A 27 -2.776 0.740 -5.366 1.00 0.00 C ATOM 422 CE LYS A 27 -2.438 -0.449 -6.267 1.00 0.00 C ATOM 423 NZ LYS A 27 -3.372 -0.514 -7.413 1.00 0.00 N ATOM 0 H LYS A 27 -7.106 -0.175 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.702 2.194 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.747 0.408 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.885 1.933 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.039 0.934 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.278 -0.555 -4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.839 1.648 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.976 0.891 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.414 -0.358 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.492 -1.374 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.837 -0.691 -8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.054 -1.285 -7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.882 0.388 -7.497 1.00 0.00 H new ATOM 437 N ALA A 28 -8.185 2.476 -5.718 1.00 0.00 N ATOM 438 CA ALA A 28 -9.073 3.436 -6.353 1.00 0.00 C ATOM 439 C ALA A 28 -9.718 4.315 -5.279 1.00 0.00 C ATOM 440 O ALA A 28 -9.883 5.518 -5.474 1.00 0.00 O ATOM 441 CB ALA A 28 -10.109 2.691 -7.197 1.00 0.00 C ATOM 0 H ALA A 28 -8.449 1.499 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.516 4.090 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.775 3.410 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.601 2.105 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.690 2.027 -6.557 1.00 0.00 H new ATOM 447 N LYS A 29 -10.066 3.679 -4.170 1.00 0.00 N ATOM 448 CA LYS A 29 -10.690 4.388 -3.066 1.00 0.00 C ATOM 449 C LYS A 29 -9.704 5.414 -2.503 1.00 0.00 C ATOM 450 O LYS A 29 -10.073 6.559 -2.245 1.00 0.00 O ATOM 451 CB LYS A 29 -11.212 3.399 -2.021 1.00 0.00 C ATOM 452 CG LYS A 29 -12.671 3.031 -2.296 1.00 0.00 C ATOM 453 CD LYS A 29 -13.239 2.164 -1.171 1.00 0.00 C ATOM 454 CE LYS A 29 -13.716 3.027 -0.001 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.014 3.662 -0.322 1.00 0.00 N ATOM 0 H LYS A 29 -9.928 2.681 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.563 4.941 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.598 2.498 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.125 3.836 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.266 3.939 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.743 2.497 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.069 1.568 -1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.477 1.465 -0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.816 2.413 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.974 3.794 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.422 4.074 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.869 4.412 -1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.665 2.947 -0.705 1.00 0.00 H new ATOM 469 N ILE A 30 -8.468 4.967 -2.329 1.00 0.00 N ATOM 470 CA ILE A 30 -7.428 5.832 -1.801 1.00 0.00 C ATOM 471 C ILE A 30 -7.194 6.992 -2.771 1.00 0.00 C ATOM 472 O ILE A 30 -6.884 8.105 -2.350 1.00 0.00 O ATOM 473 CB ILE A 30 -6.166 5.025 -1.493 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.473 3.868 -0.540 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.053 5.929 -0.957 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.486 2.716 -0.739 1.00 0.00 C ATOM 0 H ILE A 30 -8.165 4.017 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.740 6.267 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.805 4.588 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.425 4.219 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.490 3.513 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.167 5.330 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.810 6.687 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.389 6.415 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.727 1.907 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.554 2.351 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.473 3.068 -0.546 1.00 0.00 H new ATOM 488 N GLN A 31 -7.352 6.691 -4.052 1.00 0.00 N ATOM 489 CA GLN A 31 -7.162 7.695 -5.085 1.00 0.00 C ATOM 490 C GLN A 31 -8.230 8.785 -4.969 1.00 0.00 C ATOM 491 O GLN A 31 -7.911 9.950 -4.737 1.00 0.00 O ATOM 492 CB GLN A 31 -7.176 7.059 -6.477 1.00 0.00 C ATOM 493 CG GLN A 31 -6.941 8.111 -7.562 1.00 0.00 C ATOM 494 CD GLN A 31 -8.080 8.108 -8.584 1.00 0.00 C ATOM 495 OE1 GLN A 31 -9.225 7.823 -8.275 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.703 8.442 -9.815 1.00 0.00 N ATOM 0 H GLN A 31 -7.609 5.766 -4.398 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.184 8.155 -4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.405 6.290 -6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.133 6.565 -6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.860 9.098 -7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.995 7.914 -8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.727 8.669 -10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.390 8.471 -10.569 1.00 0.00 H new ATOM 505 N ASP A 32 -9.476 8.367 -5.137 1.00 0.00 N ATOM 506 CA ASP A 32 -10.593 9.293 -5.054 1.00 0.00 C ATOM 507 C ASP A 32 -10.478 10.109 -3.765 1.00 0.00 C ATOM 508 O ASP A 32 -10.882 11.270 -3.723 1.00 0.00 O ATOM 509 CB ASP A 32 -11.927 8.546 -5.023 1.00 0.00 C ATOM 510 CG ASP A 32 -13.023 9.141 -5.909 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.652 9.811 -6.896 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.206 8.912 -5.579 1.00 0.00 O ATOM 0 H ASP A 32 -9.737 7.400 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.562 9.938 -5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.755 7.514 -5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.287 8.519 -3.995 1.00 0.00 H new ATOM 517 N LYS A 33 -9.926 9.469 -2.744 1.00 0.00 N ATOM 518 CA LYS A 33 -9.754 10.122 -1.457 1.00 0.00 C ATOM 519 C LYS A 33 -8.533 11.042 -1.516 1.00 0.00 C ATOM 520 O LYS A 33 -8.674 12.258 -1.636 1.00 0.00 O ATOM 521 CB LYS A 33 -9.688 9.084 -0.335 1.00 0.00 C ATOM 522 CG LYS A 33 -10.557 9.505 0.852 1.00 0.00 C ATOM 523 CD LYS A 33 -11.868 8.717 0.880 1.00 0.00 C ATOM 524 CE LYS A 33 -12.980 9.526 1.549 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.487 8.818 2.746 1.00 0.00 N ATOM 0 H LYS A 33 -9.592 8.506 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.616 10.750 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.022 8.116 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.655 8.961 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.012 9.343 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.771 10.572 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.163 8.459 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.722 7.780 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.603 10.509 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.795 9.689 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.241 9.381 3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.865 7.890 2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.711 8.685 3.425 1.00 0.00 H new ATOM 539 N GLU A 34 -7.363 10.426 -1.429 1.00 0.00 N ATOM 540 CA GLU A 34 -6.119 11.175 -1.471 1.00 0.00 C ATOM 541 C GLU A 34 -5.955 11.857 -2.831 1.00 0.00 C ATOM 542 O GLU A 34 -5.909 13.083 -2.914 1.00 0.00 O ATOM 543 CB GLU A 34 -4.923 10.270 -1.164 1.00 0.00 C ATOM 544 CG GLU A 34 -4.472 10.434 0.289 1.00 0.00 C ATOM 545 CD GLU A 34 -3.536 11.634 0.440 1.00 0.00 C ATOM 546 OE1 GLU A 34 -2.637 11.765 -0.419 1.00 0.00 O ATOM 547 OE2 GLU A 34 -3.739 12.394 1.412 1.00 0.00 O ATOM 0 H GLU A 34 -7.251 9.417 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.156 11.946 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.192 9.230 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.098 10.511 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.343 10.564 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.964 9.528 0.620 1.00 0.00 H new ATOM 554 N GLY A 35 -5.871 11.032 -3.865 1.00 0.00 N ATOM 555 CA GLY A 35 -5.714 11.540 -5.217 1.00 0.00 C ATOM 556 C GLY A 35 -4.423 11.016 -5.851 1.00 0.00 C ATOM 557 O GLY A 35 -3.973 11.539 -6.870 1.00 0.00 O ATOM 0 H GLY A 35 -5.909 10.015 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.569 11.241 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.700 12.630 -5.201 1.00 0.00 H new ATOM 561 N ILE A 36 -3.865 9.993 -5.222 1.00 0.00 N ATOM 562 CA ILE A 36 -2.635 9.394 -5.713 1.00 0.00 C ATOM 563 C ILE A 36 -2.975 8.288 -6.714 1.00 0.00 C ATOM 564 O ILE A 36 -3.970 7.585 -6.551 1.00 0.00 O ATOM 565 CB ILE A 36 -1.766 8.921 -4.546 1.00 0.00 C ATOM 566 CG1 ILE A 36 -0.717 9.974 -4.181 1.00 0.00 C ATOM 567 CG2 ILE A 36 -1.133 7.562 -4.849 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.497 10.027 -2.669 1.00 0.00 C ATOM 0 H ILE A 36 -4.241 9.563 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.038 10.134 -6.246 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.407 8.790 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.224 9.744 -4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.038 10.952 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.521 7.249 -4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.918 6.825 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.509 7.642 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.253 10.783 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.434 10.281 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.153 9.054 -2.317 1.00 0.00 H new ATOM 580 N PRO A 37 -2.107 8.167 -7.754 1.00 0.00 N ATOM 581 CA PRO A 37 -2.307 7.159 -8.781 1.00 0.00 C ATOM 582 C PRO A 37 -1.934 5.768 -8.263 1.00 0.00 C ATOM 583 O PRO A 37 -1.084 5.636 -7.384 1.00 0.00 O ATOM 584 CB PRO A 37 -1.441 7.609 -9.948 1.00 0.00 C ATOM 585 CG PRO A 37 -0.438 8.592 -9.366 1.00 0.00 C ATOM 586 CD PRO A 37 -0.918 8.983 -7.979 1.00 0.00 C ATOM 0 HA PRO A 37 -3.350 7.070 -9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.935 6.761 -10.409 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.045 8.080 -10.724 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.553 8.140 -9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.353 9.473 -10.003 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.155 8.787 -7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.152 10.046 -7.926 1.00 0.00 H new ATOM 594 N PRO A 38 -2.607 4.739 -8.846 1.00 0.00 N ATOM 595 CA PRO A 38 -2.355 3.363 -8.452 1.00 0.00 C ATOM 596 C PRO A 38 -1.026 2.864 -9.023 1.00 0.00 C ATOM 597 O PRO A 38 -0.397 1.973 -8.452 1.00 0.00 O ATOM 598 CB PRO A 38 -3.553 2.582 -8.966 1.00 0.00 C ATOM 599 CG PRO A 38 -4.200 3.459 -10.025 1.00 0.00 C ATOM 600 CD PRO A 38 -3.620 4.858 -9.889 1.00 0.00 C ATOM 0 HA PRO A 38 -2.253 3.246 -7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.244 1.625 -9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.252 2.364 -8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.007 3.061 -11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.282 3.480 -9.895 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.184 5.199 -10.828 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.389 5.580 -9.614 1.00 0.00 H new ATOM 608 N ASP A 39 -0.638 3.458 -10.141 1.00 0.00 N ATOM 609 CA ASP A 39 0.605 3.084 -10.795 1.00 0.00 C ATOM 610 C ASP A 39 1.784 3.523 -9.926 1.00 0.00 C ATOM 611 O ASP A 39 2.782 2.811 -9.822 1.00 0.00 O ATOM 612 CB ASP A 39 0.738 3.771 -12.156 1.00 0.00 C ATOM 613 CG ASP A 39 0.041 3.053 -13.314 1.00 0.00 C ATOM 614 OD1 ASP A 39 0.431 1.896 -13.580 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.865 3.679 -13.905 1.00 0.00 O ATOM 0 H ASP A 39 -1.162 4.196 -10.611 1.00 0.00 H new ATOM 0 HA ASP A 39 0.602 2.003 -10.935 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.333 4.780 -12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.797 3.870 -12.394 1.00 0.00 H new ATOM 620 N GLN A 40 1.633 4.693 -9.324 1.00 0.00 N ATOM 621 CA GLN A 40 2.673 5.235 -8.468 1.00 0.00 C ATOM 622 C GLN A 40 2.455 4.791 -7.019 1.00 0.00 C ATOM 623 O GLN A 40 3.082 5.318 -6.103 1.00 0.00 O ATOM 624 CB GLN A 40 2.729 6.761 -8.570 1.00 0.00 C ATOM 625 CG GLN A 40 4.176 7.258 -8.568 1.00 0.00 C ATOM 626 CD GLN A 40 4.573 7.797 -9.943 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.813 8.978 -10.130 1.00 0.00 O ATOM 628 NE2 GLN A 40 4.628 6.868 -10.893 1.00 0.00 N ATOM 0 H GLN A 40 0.805 5.281 -9.413 1.00 0.00 H new ATOM 0 HA GLN A 40 3.633 4.845 -8.807 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.230 7.087 -9.483 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.187 7.205 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.294 8.041 -7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.843 6.444 -8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.415 5.896 -10.669 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.883 7.127 -11.846 1.00 0.00 H new ATOM 637 N GLN A 41 1.562 3.824 -6.859 1.00 0.00 N ATOM 638 CA GLN A 41 1.253 3.303 -5.539 1.00 0.00 C ATOM 639 C GLN A 41 2.116 2.076 -5.238 1.00 0.00 C ATOM 640 O GLN A 41 2.275 1.201 -6.088 1.00 0.00 O ATOM 641 CB GLN A 41 -0.236 2.970 -5.417 1.00 0.00 C ATOM 642 CG GLN A 41 -0.986 4.079 -4.675 1.00 0.00 C ATOM 643 CD GLN A 41 -2.410 3.640 -4.329 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.641 2.837 -3.440 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.349 4.211 -5.077 1.00 0.00 N ATOM 0 H GLN A 41 1.043 3.389 -7.622 1.00 0.00 H new ATOM 0 HA GLN A 41 1.481 4.073 -4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.665 2.837 -6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.359 2.025 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.449 4.338 -3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.018 4.977 -5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.087 4.875 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.332 3.985 -4.923 1.00 0.00 H new ATOM 654 N ARG A 42 2.648 2.051 -4.025 1.00 0.00 N ATOM 655 CA ARG A 42 3.491 0.945 -3.600 1.00 0.00 C ATOM 656 C ARG A 42 3.085 0.475 -2.202 1.00 0.00 C ATOM 657 O ARG A 42 3.600 0.972 -1.202 1.00 0.00 O ATOM 658 CB ARG A 42 4.966 1.351 -3.586 1.00 0.00 C ATOM 659 CG ARG A 42 5.819 0.346 -4.363 1.00 0.00 C ATOM 660 CD ARG A 42 6.927 -0.232 -3.480 1.00 0.00 C ATOM 661 NE ARG A 42 7.284 -1.592 -3.941 1.00 0.00 N ATOM 662 CZ ARG A 42 8.338 -2.285 -3.490 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.144 -1.750 -2.563 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.586 -3.513 -3.965 1.00 0.00 N ATOM 0 H ARG A 42 2.512 2.778 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 42 3.356 0.132 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.078 2.343 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.320 1.415 -2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.188 -0.461 -4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.259 0.833 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.804 0.414 -3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.596 -0.266 -2.442 1.00 0.00 H new ATOM 0 HE ARG A 42 6.691 -2.029 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.955 -0.815 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.947 -2.277 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.972 -3.921 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.389 -4.040 -3.621 1.00 0.00 H new ATOM 678 N LEU A 43 2.164 -0.478 -2.177 1.00 0.00 N ATOM 679 CA LEU A 43 1.683 -1.021 -0.918 1.00 0.00 C ATOM 680 C LEU A 43 2.433 -2.318 -0.607 1.00 0.00 C ATOM 681 O LEU A 43 2.355 -3.282 -1.368 1.00 0.00 O ATOM 682 CB LEU A 43 0.162 -1.182 -0.950 1.00 0.00 C ATOM 683 CG LEU A 43 -0.592 -0.245 -1.896 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.067 -0.637 -1.995 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.414 1.216 -1.478 1.00 0.00 C ATOM 0 H LEU A 43 1.738 -0.888 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 43 1.890 -0.330 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.069 -2.210 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.221 -1.032 0.059 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.164 -0.349 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.580 0.045 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.148 -1.656 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.526 -0.580 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.960 1.861 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.800 1.355 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.645 1.475 -1.501 1.00 0.00 H new ATOM 697 N ILE A 44 3.143 -2.301 0.511 1.00 0.00 N ATOM 698 CA ILE A 44 3.907 -3.464 0.932 1.00 0.00 C ATOM 699 C ILE A 44 3.190 -4.143 2.101 1.00 0.00 C ATOM 700 O ILE A 44 2.653 -3.470 2.980 1.00 0.00 O ATOM 701 CB ILE A 44 5.352 -3.073 1.240 1.00 0.00 C ATOM 702 CG1 ILE A 44 6.046 -2.511 -0.004 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.122 -4.249 1.843 1.00 0.00 C ATOM 704 CD1 ILE A 44 7.201 -1.585 0.383 1.00 0.00 C ATOM 0 H ILE A 44 3.206 -1.500 1.139 1.00 0.00 H new ATOM 0 HA ILE A 44 3.965 -4.195 0.125 1.00 0.00 H new ATOM 0 HB ILE A 44 5.339 -2.280 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.422 -3.331 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.325 -1.964 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.147 -3.944 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.640 -4.563 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.128 -5.080 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.676 -1.200 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.818 -0.754 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.932 -2.141 0.969 1.00 0.00 H new ATOM 716 N PHE A 45 3.204 -5.467 2.073 1.00 0.00 N ATOM 717 CA PHE A 45 2.563 -6.244 3.120 1.00 0.00 C ATOM 718 C PHE A 45 3.229 -7.613 3.272 1.00 0.00 C ATOM 719 O PHE A 45 3.307 -8.379 2.314 1.00 0.00 O ATOM 720 CB PHE A 45 1.106 -6.443 2.700 1.00 0.00 C ATOM 721 CG PHE A 45 0.140 -6.632 3.872 1.00 0.00 C ATOM 722 CD1 PHE A 45 -0.119 -5.595 4.714 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.458 -7.836 4.074 1.00 0.00 C ATOM 724 CE1 PHE A 45 -1.015 -5.770 5.802 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.353 -8.011 5.162 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.613 -6.974 6.002 1.00 0.00 C ATOM 0 H PHE A 45 3.649 -6.022 1.342 1.00 0.00 H new ATOM 0 HA PHE A 45 2.644 -5.722 4.074 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.786 -5.581 2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.043 -7.313 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.357 -4.639 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.252 -8.660 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.221 -4.947 6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.827 -8.968 5.322 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.295 -7.107 6.829 1.00 0.00 H new ATOM 736 N ALA A 46 3.691 -7.879 4.486 1.00 0.00 N ATOM 737 CA ALA A 46 4.348 -9.143 4.775 1.00 0.00 C ATOM 738 C ALA A 46 5.589 -9.283 3.892 1.00 0.00 C ATOM 739 O ALA A 46 6.096 -10.386 3.699 1.00 0.00 O ATOM 740 CB ALA A 46 3.357 -10.291 4.575 1.00 0.00 C ATOM 0 H ALA A 46 3.623 -7.242 5.279 1.00 0.00 H new ATOM 0 HA ALA A 46 4.678 -9.175 5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.850 -11.239 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.509 -10.161 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.005 -10.292 3.543 1.00 0.00 H new ATOM 746 N GLY A 47 6.042 -8.148 3.379 1.00 0.00 N ATOM 747 CA GLY A 47 7.214 -8.130 2.521 1.00 0.00 C ATOM 748 C GLY A 47 6.817 -8.244 1.047 1.00 0.00 C ATOM 749 O GLY A 47 7.608 -7.929 0.161 1.00 0.00 O ATOM 0 H GLY A 47 5.618 -7.235 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.772 -7.207 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.877 -8.953 2.787 1.00 0.00 H new ATOM 753 N LYS A 48 5.590 -8.697 0.832 1.00 0.00 N ATOM 754 CA LYS A 48 5.078 -8.857 -0.518 1.00 0.00 C ATOM 755 C LYS A 48 4.189 -7.662 -0.867 1.00 0.00 C ATOM 756 O LYS A 48 3.296 -7.304 -0.100 1.00 0.00 O ATOM 757 CB LYS A 48 4.379 -10.210 -0.669 1.00 0.00 C ATOM 758 CG LYS A 48 4.517 -10.744 -2.096 1.00 0.00 C ATOM 759 CD LYS A 48 4.211 -12.242 -2.153 1.00 0.00 C ATOM 760 CE LYS A 48 3.114 -12.537 -3.178 1.00 0.00 C ATOM 761 NZ LYS A 48 2.373 -13.762 -2.804 1.00 0.00 N ATOM 0 H LYS A 48 4.936 -8.958 1.570 1.00 0.00 H new ATOM 0 HA LYS A 48 5.897 -8.866 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.808 -10.925 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.324 -10.108 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.838 -10.205 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.528 -10.562 -2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.115 -12.792 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.898 -12.591 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.427 -11.693 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.555 -12.659 -4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.632 -13.949 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.029 -14.568 -2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.936 -13.632 -1.869 1.00 0.00 H new ATOM 775 N GLN A 49 4.463 -7.080 -2.025 1.00 0.00 N ATOM 776 CA GLN A 49 3.698 -5.933 -2.484 1.00 0.00 C ATOM 777 C GLN A 49 2.367 -6.388 -3.086 1.00 0.00 C ATOM 778 O GLN A 49 2.319 -7.372 -3.822 1.00 0.00 O ATOM 779 CB GLN A 49 4.501 -5.107 -3.491 1.00 0.00 C ATOM 780 CG GLN A 49 4.888 -5.951 -4.707 1.00 0.00 C ATOM 781 CD GLN A 49 4.934 -5.096 -5.976 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.067 -3.884 -5.934 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.818 -5.794 -7.102 1.00 0.00 N ATOM 0 H GLN A 49 5.203 -7.381 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 49 3.486 -5.295 -1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.913 -4.247 -3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.400 -4.718 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.861 -6.412 -4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.170 -6.761 -4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.709 -6.808 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.838 -5.316 -8.003 1.00 0.00 H new ATOM 792 N LEU A 50 1.319 -5.651 -2.749 1.00 0.00 N ATOM 793 CA LEU A 50 -0.009 -5.967 -3.247 1.00 0.00 C ATOM 794 C LEU A 50 -0.148 -5.453 -4.681 1.00 0.00 C ATOM 795 O LEU A 50 -0.298 -4.252 -4.903 1.00 0.00 O ATOM 796 CB LEU A 50 -1.080 -5.429 -2.295 1.00 0.00 C ATOM 797 CG LEU A 50 -0.695 -5.373 -0.816 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.873 -4.905 0.041 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.140 -6.718 -0.341 1.00 0.00 C ATOM 0 H LEU A 50 1.362 -4.836 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.156 -7.047 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.353 -4.424 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.971 -6.049 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 50 0.101 -4.637 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.572 -4.874 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.181 -3.909 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.706 -5.598 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.126 -6.650 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.896 -7.492 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.746 -6.972 -0.923 1.00 0.00 H new ATOM 811 N GLU A 51 -0.092 -6.387 -5.619 1.00 0.00 N ATOM 812 CA GLU A 51 -0.209 -6.044 -7.026 1.00 0.00 C ATOM 813 C GLU A 51 -1.676 -6.063 -7.456 1.00 0.00 C ATOM 814 O GLU A 51 -2.418 -6.980 -7.107 1.00 0.00 O ATOM 815 CB GLU A 51 0.629 -6.986 -7.892 1.00 0.00 C ATOM 816 CG GLU A 51 0.950 -6.347 -9.245 1.00 0.00 C ATOM 817 CD GLU A 51 0.872 -7.380 -10.372 1.00 0.00 C ATOM 818 OE1 GLU A 51 -0.268 -7.676 -10.790 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.953 -7.848 -10.788 1.00 0.00 O ATOM 0 H GLU A 51 0.033 -7.382 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 51 0.178 -5.035 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.555 -7.234 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.090 -7.921 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.251 -5.535 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.948 -5.909 -9.217 1.00 0.00 H new ATOM 826 N ASP A 52 -2.053 -5.040 -8.210 1.00 0.00 N ATOM 827 CA ASP A 52 -3.419 -4.928 -8.692 1.00 0.00 C ATOM 828 C ASP A 52 -3.854 -6.266 -9.293 1.00 0.00 C ATOM 829 O ASP A 52 -3.351 -6.675 -10.338 1.00 0.00 O ATOM 830 CB ASP A 52 -3.533 -3.861 -9.783 1.00 0.00 C ATOM 831 CG ASP A 52 -4.906 -3.760 -10.448 1.00 0.00 C ATOM 832 OD1 ASP A 52 -5.674 -4.738 -10.316 1.00 0.00 O ATOM 833 OD2 ASP A 52 -5.159 -2.707 -11.073 1.00 0.00 O ATOM 0 H ASP A 52 -1.436 -4.281 -8.499 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.052 -4.651 -7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.284 -2.892 -9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.788 -4.068 -10.552 1.00 0.00 H new ATOM 838 N GLY A 53 -4.785 -6.912 -8.605 1.00 0.00 N ATOM 839 CA GLY A 53 -5.294 -8.196 -9.057 1.00 0.00 C ATOM 840 C GLY A 53 -5.442 -9.170 -7.887 1.00 0.00 C ATOM 841 O GLY A 53 -6.116 -10.191 -8.006 1.00 0.00 O ATOM 0 H GLY A 53 -5.200 -6.570 -7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.259 -8.057 -9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.619 -8.617 -9.802 1.00 0.00 H new ATOM 845 N ARG A 54 -4.800 -8.820 -6.782 1.00 0.00 N ATOM 846 CA ARG A 54 -4.853 -9.650 -5.591 1.00 0.00 C ATOM 847 C ARG A 54 -5.923 -9.131 -4.628 1.00 0.00 C ATOM 848 O ARG A 54 -6.160 -7.927 -4.549 1.00 0.00 O ATOM 849 CB ARG A 54 -3.501 -9.673 -4.875 1.00 0.00 C ATOM 850 CG ARG A 54 -2.485 -10.515 -5.650 1.00 0.00 C ATOM 851 CD ARG A 54 -2.331 -11.902 -5.023 1.00 0.00 C ATOM 852 NE ARG A 54 -1.605 -12.799 -5.950 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.141 -14.011 -5.614 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.325 -14.477 -4.372 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.494 -14.755 -6.521 1.00 0.00 N ATOM 0 H ARG A 54 -4.240 -7.973 -6.687 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.103 -10.663 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.127 -8.655 -4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.624 -10.078 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.805 -10.614 -6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.520 -10.008 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.790 -11.826 -4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.312 -12.318 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.448 -12.475 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.818 -13.910 -3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.972 -15.399 -4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.355 -14.399 -7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.141 -15.677 -6.266 1.00 0.00 H new ATOM 869 N THR A 55 -6.540 -10.066 -3.921 1.00 0.00 N ATOM 870 CA THR A 55 -7.579 -9.718 -2.966 1.00 0.00 C ATOM 871 C THR A 55 -7.013 -9.696 -1.545 1.00 0.00 C ATOM 872 O THR A 55 -6.142 -10.497 -1.208 1.00 0.00 O ATOM 873 CB THR A 55 -8.735 -10.705 -3.145 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.124 -11.984 -2.991 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.276 -10.720 -4.575 1.00 0.00 C ATOM 0 H THR A 55 -6.341 -11.064 -3.990 1.00 0.00 H new ATOM 0 HA THR A 55 -7.960 -8.713 -3.145 1.00 0.00 H new ATOM 0 HB THR A 55 -9.540 -10.451 -2.456 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.811 -12.304 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.094 -11.437 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.640 -9.726 -4.837 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.480 -11.008 -5.262 1.00 0.00 H new ATOM 883 N LEU A 56 -7.529 -8.770 -0.751 1.00 0.00 N ATOM 884 CA LEU A 56 -7.085 -8.632 0.625 1.00 0.00 C ATOM 885 C LEU A 56 -7.224 -9.979 1.338 1.00 0.00 C ATOM 886 O LEU A 56 -6.367 -10.355 2.137 1.00 0.00 O ATOM 887 CB LEU A 56 -7.833 -7.490 1.317 1.00 0.00 C ATOM 888 CG LEU A 56 -7.743 -6.122 0.639 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.960 -5.261 0.980 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.429 -5.421 0.991 1.00 0.00 C ATOM 0 H LEU A 56 -8.251 -8.108 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.030 -8.359 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.885 -7.766 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.451 -7.395 2.334 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.748 -6.274 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.871 -4.294 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.867 -5.761 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.011 -5.114 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.390 -4.451 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.369 -5.281 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.590 -6.032 0.658 1.00 0.00 H new ATOM 902 N SER A 57 -8.311 -10.670 1.024 1.00 0.00 N ATOM 903 CA SER A 57 -8.573 -11.966 1.624 1.00 0.00 C ATOM 904 C SER A 57 -7.478 -12.959 1.228 1.00 0.00 C ATOM 905 O SER A 57 -7.051 -13.777 2.041 1.00 0.00 O ATOM 906 CB SER A 57 -9.946 -12.499 1.209 1.00 0.00 C ATOM 907 OG SER A 57 -10.251 -13.741 1.839 1.00 0.00 O ATOM 0 H SER A 57 -9.020 -10.356 0.362 1.00 0.00 H new ATOM 0 HA SER A 57 -8.572 -11.846 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.711 -11.766 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.974 -12.625 0.127 1.00 0.00 H new ATOM 0 HG SER A 57 -11.136 -14.046 1.549 1.00 0.00 H new ATOM 913 N ASP A 58 -7.052 -12.852 -0.023 1.00 0.00 N ATOM 914 CA ASP A 58 -6.014 -13.729 -0.537 1.00 0.00 C ATOM 915 C ASP A 58 -4.730 -13.519 0.267 1.00 0.00 C ATOM 916 O ASP A 58 -3.852 -14.380 0.276 1.00 0.00 O ATOM 917 CB ASP A 58 -5.710 -13.420 -2.004 1.00 0.00 C ATOM 918 CG ASP A 58 -6.265 -14.433 -3.008 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.935 -15.628 -2.850 1.00 0.00 O ATOM 920 OD2 ASP A 58 -7.008 -13.988 -3.910 1.00 0.00 O ATOM 0 H ASP A 58 -7.407 -12.172 -0.695 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.367 -14.757 -0.450 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.113 -12.436 -2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.629 -13.361 -2.131 1.00 0.00 H new ATOM 925 N TYR A 59 -4.662 -12.370 0.923 1.00 0.00 N ATOM 926 CA TYR A 59 -3.500 -12.037 1.728 1.00 0.00 C ATOM 927 C TYR A 59 -3.765 -12.307 3.211 1.00 0.00 C ATOM 928 O TYR A 59 -2.857 -12.210 4.035 1.00 0.00 O ATOM 929 CB TYR A 59 -3.265 -10.537 1.530 1.00 0.00 C ATOM 930 CG TYR A 59 -2.734 -10.170 0.142 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.805 -10.981 -0.478 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.184 -9.028 -0.488 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.305 -10.635 -1.783 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.683 -8.681 -1.794 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.769 -9.502 -2.376 1.00 0.00 C ATOM 936 OH TYR A 59 -1.297 -9.176 -3.610 1.00 0.00 O ATOM 0 H TYR A 59 -5.393 -11.658 0.913 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.641 -12.638 1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.202 -10.007 1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.558 -10.188 2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.453 -11.875 0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.911 -8.394 -0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.578 -11.261 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.026 -7.790 -2.298 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.492 -9.701 -3.802 1.00 0.00 H new ATOM 946 N ASN A 60 -5.013 -12.639 3.505 1.00 0.00 N ATOM 947 CA ASN A 60 -5.409 -12.923 4.874 1.00 0.00 C ATOM 948 C ASN A 60 -5.030 -11.739 5.766 1.00 0.00 C ATOM 949 O ASN A 60 -4.293 -11.899 6.739 1.00 0.00 O ATOM 950 CB ASN A 60 -4.692 -14.165 5.408 1.00 0.00 C ATOM 951 CG ASN A 60 -5.526 -14.858 6.487 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.921 -14.268 7.478 1.00 0.00 O ATOM 953 ND2 ASN A 60 -5.773 -16.142 6.238 1.00 0.00 N ATOM 0 H ASN A 60 -5.764 -12.718 2.819 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.485 -13.095 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.501 -14.859 4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.723 -13.881 5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.323 -16.693 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.412 -16.575 5.388 1.00 0.00 H new ATOM 960 N ILE A 61 -5.552 -10.576 5.404 1.00 0.00 N ATOM 961 CA ILE A 61 -5.278 -9.366 6.160 1.00 0.00 C ATOM 962 C ILE A 61 -6.155 -9.342 7.413 1.00 0.00 C ATOM 963 O ILE A 61 -7.299 -9.793 7.383 1.00 0.00 O ATOM 964 CB ILE A 61 -5.444 -8.131 5.271 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.315 -8.041 4.242 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.554 -6.859 6.115 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.841 -7.547 2.893 1.00 0.00 C ATOM 0 H ILE A 61 -6.163 -10.446 4.598 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.241 -9.354 6.496 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.377 -8.231 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.541 -7.365 4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.851 -9.020 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.671 -5.996 5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.419 -6.934 6.775 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.651 -6.740 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.019 -7.492 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.597 -8.239 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.282 -6.558 3.015 1.00 0.00 H new ATOM 979 N GLN A 62 -5.585 -8.814 8.486 1.00 0.00 N ATOM 980 CA GLN A 62 -6.301 -8.726 9.748 1.00 0.00 C ATOM 981 C GLN A 62 -6.966 -7.355 9.887 1.00 0.00 C ATOM 982 O GLN A 62 -6.484 -6.368 9.331 1.00 0.00 O ATOM 983 CB GLN A 62 -5.368 -9.005 10.927 1.00 0.00 C ATOM 984 CG GLN A 62 -4.271 -9.997 10.536 1.00 0.00 C ATOM 985 CD GLN A 62 -3.986 -10.978 11.676 1.00 0.00 C ATOM 986 OE1 GLN A 62 -4.440 -10.816 12.797 1.00 0.00 O ATOM 987 NE2 GLN A 62 -3.210 -12.000 11.329 1.00 0.00 N ATOM 0 H GLN A 62 -4.635 -8.443 8.508 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.080 -9.488 9.755 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.916 -8.073 11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.942 -9.404 11.763 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.574 -10.547 9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.360 -9.455 10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.864 -12.076 10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.961 -12.709 12.019 1.00 0.00 H new ATOM 996 N LYS A 63 -8.062 -7.337 10.632 1.00 0.00 N ATOM 997 CA LYS A 63 -8.797 -6.103 10.851 1.00 0.00 C ATOM 998 C LYS A 63 -7.828 -5.010 11.304 1.00 0.00 C ATOM 999 O LYS A 63 -7.020 -5.227 12.206 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.958 -6.337 11.820 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.479 -7.050 13.086 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.465 -8.142 13.507 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.831 -9.091 14.526 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.516 -10.402 14.507 1.00 0.00 N ATOM 0 H LYS A 63 -8.458 -8.157 11.091 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.251 -5.760 9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.413 -5.383 12.086 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.729 -6.933 11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.497 -7.490 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.365 -6.327 13.894 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.357 -7.686 13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.785 -8.705 12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.773 -9.223 14.300 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.892 -8.656 15.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.074 -11.035 15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.520 -10.272 14.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.436 -10.822 13.559 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.940 -3.859 10.657 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.083 -2.731 10.983 1.00 0.00 C ATOM 1020 C GLU A 64 -5.611 -3.139 10.890 1.00 0.00 C ATOM 1021 O GLU A 64 -4.850 -2.952 11.838 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.412 -2.176 12.370 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.891 -1.804 12.475 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.691 -2.920 13.150 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.195 -3.432 14.177 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.780 -3.236 12.625 1.00 0.00 O ATOM 0 H GLU A 64 -8.611 -3.683 9.909 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.266 -1.938 10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.165 -2.917 13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.798 -1.298 12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.998 -0.880 13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.293 -1.614 11.480 1.00 0.00 H new ATOM 1033 N SER A 65 -5.254 -3.687 9.738 1.00 0.00 N ATOM 1034 CA SER A 65 -3.887 -4.123 9.509 1.00 0.00 C ATOM 1035 C SER A 65 -2.987 -2.911 9.258 1.00 0.00 C ATOM 1036 O SER A 65 -3.477 -1.801 9.055 1.00 0.00 O ATOM 1037 CB SER A 65 -3.809 -5.095 8.329 1.00 0.00 C ATOM 1038 OG SER A 65 -4.175 -6.420 8.705 1.00 0.00 O ATOM 0 H SER A 65 -5.888 -3.839 8.953 1.00 0.00 H new ATOM 0 HA SER A 65 -3.541 -4.647 10.400 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.466 -4.750 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.795 -5.099 7.928 1.00 0.00 H new ATOM 0 HG SER A 65 -4.955 -6.388 9.297 1.00 0.00 H new ATOM 1044 N THR A 66 -1.687 -3.165 9.281 1.00 0.00 N ATOM 1045 CA THR A 66 -0.713 -2.109 9.060 1.00 0.00 C ATOM 1046 C THR A 66 -0.070 -2.258 7.680 1.00 0.00 C ATOM 1047 O THR A 66 0.810 -3.096 7.488 1.00 0.00 O ATOM 1048 CB THR A 66 0.296 -2.148 10.208 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.368 -1.478 11.277 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.528 -1.283 9.934 1.00 0.00 C ATOM 0 H THR A 66 -1.285 -4.087 9.449 1.00 0.00 H new ATOM 0 HA THR A 66 -1.187 -1.127 9.059 1.00 0.00 H new ATOM 0 HB THR A 66 0.607 -3.178 10.383 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.216 -1.459 12.064 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.212 -1.346 10.780 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.030 -1.639 9.034 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.221 -0.247 9.792 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.533 -1.432 6.753 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.014 -1.461 5.397 1.00 0.00 C ATOM 1060 C LEU A 67 0.885 -0.243 5.173 1.00 0.00 C ATOM 1061 O LEU A 67 0.632 0.829 5.721 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.158 -1.574 4.388 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.014 -2.838 4.483 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.202 -2.627 5.424 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.459 -3.307 3.096 1.00 0.00 C ATOM 0 H LEU A 67 -1.263 -0.738 6.915 1.00 0.00 H new ATOM 0 HA LEU A 67 0.604 -2.346 5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.809 -0.708 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.737 -1.519 3.384 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.401 -3.632 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.794 -3.541 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.837 -2.377 6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.822 -1.813 5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.066 -4.207 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.047 -2.523 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.582 -3.525 2.487 1.00 0.00 H new ATOM 1077 N HIS A 68 1.916 -0.449 4.367 1.00 0.00 N ATOM 1078 CA HIS A 68 2.854 0.619 4.064 1.00 0.00 C ATOM 1079 C HIS A 68 2.614 1.123 2.639 1.00 0.00 C ATOM 1080 O HIS A 68 2.924 0.431 1.671 1.00 0.00 O ATOM 1081 CB HIS A 68 4.295 0.159 4.295 1.00 0.00 C ATOM 1082 CG HIS A 68 5.091 1.067 5.201 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.287 1.649 4.817 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.851 1.488 6.476 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.737 2.383 5.823 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.846 2.281 6.851 1.00 0.00 N ATOM 0 H HIS A 68 2.123 -1.339 3.914 1.00 0.00 H new ATOM 0 HA HIS A 68 2.689 1.456 4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.281 -0.843 4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.802 0.088 3.333 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.995 1.221 7.078 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.649 2.961 5.829 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.931 2.739 7.758 1.00 0.00 H new ATOM 1094 N LEU A 69 2.065 2.326 2.557 1.00 0.00 N ATOM 1095 CA LEU A 69 1.780 2.931 1.267 1.00 0.00 C ATOM 1096 C LEU A 69 2.908 3.899 0.902 1.00 0.00 C ATOM 1097 O LEU A 69 2.931 5.035 1.373 1.00 0.00 O ATOM 1098 CB LEU A 69 0.393 3.578 1.273 1.00 0.00 C ATOM 1099 CG LEU A 69 0.190 4.739 0.298 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.356 4.276 -1.150 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.160 5.421 0.531 1.00 0.00 C ATOM 0 H LEU A 69 1.810 2.898 3.362 1.00 0.00 H new ATOM 0 HA LEU A 69 1.748 2.169 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.346 2.809 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.185 3.936 2.281 1.00 0.00 H new ATOM 0 HG LEU A 69 0.964 5.483 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.206 5.121 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.359 3.874 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.379 3.502 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.279 6.243 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.963 4.698 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.201 5.809 1.549 1.00 0.00 H new ATOM 1113 N VAL A 70 3.814 3.414 0.067 1.00 0.00 N ATOM 1114 CA VAL A 70 4.942 4.221 -0.364 1.00 0.00 C ATOM 1115 C VAL A 70 4.823 4.493 -1.866 1.00 0.00 C ATOM 1116 O VAL A 70 4.057 3.828 -2.561 1.00 0.00 O ATOM 1117 CB VAL A 70 6.255 3.535 0.017 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.458 4.383 -0.400 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.296 3.224 1.514 1.00 0.00 C ATOM 0 H VAL A 70 3.790 2.472 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 70 4.937 5.185 0.144 1.00 0.00 H new ATOM 0 HB VAL A 70 6.308 2.590 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.379 3.872 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.442 4.531 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.412 5.351 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.240 2.737 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.209 4.151 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.469 2.562 1.771 1.00 0.00 H new