USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 879 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 13 MET CE :methyl -164:sc= -3 (180deg=-3.67!) USER MOD Set 1.2: A 49 MET CE :methyl -107:sc= -1.56 (180deg=-6.86!) USER MOD Set 2.1: A 6 CYS SG : rot -92:sc= 1.75 USER MOD Set 2.2: A 106 MET CE :methyl 141:sc= -0.213 (180deg=-3.47!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 160:sc= -0.0517 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -1.16 X(o=-1.2,f=-1.5) USER MOD Single : A 21 TYR OH : rot 180:sc=-0.00497 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-1.9!) USER MOD Single : A 47 MET CE :methyl 158:sc= -1.77 (180deg=-2.3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00344 USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0.156 (180deg=0.155) USER MOD Single : A 54 SER OG : rot -85:sc= 0.89 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 139:sc= -1.14 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 74 MET CE :methyl -160:sc= -0.518 (180deg=-0.986) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.5!) USER MOD Single : A 78 CYS SG : rot 180:sc= -0.157 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.4!) USER MOD Single : A 86 HIS : no HD1:sc= -3.52! K(o=-3.5!,f=-1.3) USER MOD Single : A 91 MET CE :methyl -124:sc= 0 (180deg=-0.485) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -0.0273 (180deg=-0.223) USER MOD Single : A 96 GLN : amide:sc= -0.406 K(o=-0.41,f=-0.99) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 170.971 -18.082 9.588 1.00 0.00 N ATOM 2 CA GLU A 1 171.581 -17.899 8.242 1.00 0.00 C ATOM 3 C GLU A 1 172.548 -16.720 8.231 1.00 0.00 C ATOM 4 O GLU A 1 172.329 -15.719 8.917 1.00 0.00 O ATOM 5 CB GLU A 1 170.463 -17.671 7.219 1.00 0.00 C ATOM 6 CG GLU A 1 170.660 -18.428 5.915 1.00 0.00 C ATOM 7 CD GLU A 1 169.348 -18.847 5.281 1.00 0.00 C ATOM 8 OE1 GLU A 1 168.564 -17.955 4.892 1.00 0.00 O ATOM 9 OE2 GLU A 1 169.101 -20.066 5.178 1.00 0.00 O ATOM 0 H1 GLU A 1 170.318 -18.891 9.566 1.00 0.00 H new ATOM 0 H2 GLU A 1 171.720 -18.261 10.287 1.00 0.00 H new ATOM 0 H3 GLU A 1 170.449 -17.222 9.852 1.00 0.00 H new ATOM 0 HA GLU A 1 172.147 -18.794 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 1 169.512 -17.969 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 1 170.393 -16.605 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 1 171.214 -17.802 5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.268 -19.313 6.101 1.00 0.00 H new ATOM 18 N GLN A 2 173.614 -16.844 7.444 1.00 0.00 N ATOM 19 CA GLN A 2 174.619 -15.790 7.336 1.00 0.00 C ATOM 20 C GLN A 2 174.006 -14.508 6.777 1.00 0.00 C ATOM 21 O GLN A 2 174.265 -13.416 7.285 1.00 0.00 O ATOM 22 CB GLN A 2 175.780 -16.253 6.457 1.00 0.00 C ATOM 23 CG GLN A 2 176.479 -17.495 6.989 1.00 0.00 C ATOM 24 CD GLN A 2 176.845 -18.476 5.891 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.868 -18.323 5.223 1.00 0.00 O ATOM 26 NE2 GLN A 2 176.008 -19.489 5.696 1.00 0.00 N ATOM 0 H GLN A 2 173.804 -17.666 6.871 1.00 0.00 H new ATOM 0 HA GLN A 2 174.999 -15.577 8.335 1.00 0.00 H new ATOM 0 HB2 GLN A 2 175.408 -16.456 5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 2 176.506 -15.445 6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.383 -17.198 7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 2 175.831 -17.990 7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 2 175.171 -19.578 6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 2 176.202 -20.178 4.970 1.00 0.00 H new ATOM 35 N LEU A 3 173.180 -14.649 5.739 1.00 0.00 N ATOM 36 CA LEU A 3 172.516 -13.501 5.120 1.00 0.00 C ATOM 37 C LEU A 3 171.654 -12.749 6.137 1.00 0.00 C ATOM 38 O LEU A 3 171.571 -11.520 6.100 1.00 0.00 O ATOM 39 CB LEU A 3 171.646 -13.952 3.945 1.00 0.00 C ATOM 40 CG LEU A 3 170.708 -15.128 4.240 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.258 -14.668 4.266 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.907 -16.226 3.210 1.00 0.00 C ATOM 0 H LEU A 3 172.955 -15.546 5.310 1.00 0.00 H new ATOM 0 HA LEU A 3 173.292 -12.828 4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 3 171.047 -13.105 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 3 172.298 -14.227 3.116 1.00 0.00 H new ATOM 0 HG LEU A 3 170.950 -15.528 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 3 168.610 -15.519 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 3 169.130 -13.913 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.994 -14.242 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.236 -17.056 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 3 170.689 -15.836 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 3 171.939 -16.575 3.245 1.00 0.00 H new ATOM 54 N LYS A 4 171.016 -13.496 7.044 1.00 0.00 N ATOM 55 CA LYS A 4 170.162 -12.900 8.073 1.00 0.00 C ATOM 56 C LYS A 4 170.967 -11.967 8.979 1.00 0.00 C ATOM 57 O LYS A 4 170.455 -10.943 9.434 1.00 0.00 O ATOM 58 CB LYS A 4 169.484 -13.987 8.916 1.00 0.00 C ATOM 59 CG LYS A 4 168.661 -14.976 8.101 1.00 0.00 C ATOM 60 CD LYS A 4 167.205 -14.546 8.004 1.00 0.00 C ATOM 61 CE LYS A 4 166.308 -15.418 8.869 1.00 0.00 C ATOM 62 NZ LYS A 4 164.882 -14.993 8.801 1.00 0.00 N ATOM 0 H LYS A 4 171.076 -14.513 7.085 1.00 0.00 H new ATOM 0 HA LYS A 4 169.393 -12.317 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 4 170.248 -14.534 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 4 168.837 -13.511 9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 4 169.083 -15.063 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 4 168.720 -15.963 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 4 167.110 -13.505 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 4 166.877 -14.601 6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 4 166.393 -16.456 8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 4 166.650 -15.376 9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 164.306 -15.613 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 164.796 -14.011 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 164.547 -15.058 7.819 1.00 0.00 H new ATOM 76 N CYS A 5 172.229 -12.325 9.232 1.00 0.00 N ATOM 77 CA CYS A 5 173.107 -11.514 10.077 1.00 0.00 C ATOM 78 C CYS A 5 173.331 -10.132 9.462 1.00 0.00 C ATOM 79 O CYS A 5 173.363 -9.126 10.175 1.00 0.00 O ATOM 80 CB CYS A 5 174.451 -12.216 10.282 1.00 0.00 C ATOM 81 SG CYS A 5 175.538 -11.388 11.467 1.00 0.00 S ATOM 0 H CYS A 5 172.664 -13.171 8.864 1.00 0.00 H new ATOM 0 HA CYS A 5 172.621 -11.389 11.044 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.269 -13.236 10.622 1.00 0.00 H new ATOM 0 HB3 CYS A 5 174.963 -12.287 9.322 1.00 0.00 H new ATOM 0 HG CYS A 5 176.431 -12.229 11.897 1.00 0.00 H new ATOM 87 N CYS A 6 173.477 -10.092 8.135 1.00 0.00 N ATOM 88 CA CYS A 6 173.687 -8.834 7.415 1.00 0.00 C ATOM 89 C CYS A 6 172.518 -7.876 7.640 1.00 0.00 C ATOM 90 O CYS A 6 172.713 -6.668 7.784 1.00 0.00 O ATOM 91 CB CYS A 6 173.857 -9.097 5.914 1.00 0.00 C ATOM 92 SG CYS A 6 175.371 -9.984 5.481 1.00 0.00 S ATOM 0 H CYS A 6 173.454 -10.918 7.537 1.00 0.00 H new ATOM 0 HA CYS A 6 174.596 -8.374 7.803 1.00 0.00 H new ATOM 0 HB2 CYS A 6 173.000 -9.669 5.558 1.00 0.00 H new ATOM 0 HB3 CYS A 6 173.845 -8.143 5.386 1.00 0.00 H new ATOM 0 HG CYS A 6 176.313 -9.129 5.212 1.00 0.00 H new ATOM 98 N SER A 7 171.300 -8.429 7.675 1.00 0.00 N ATOM 99 CA SER A 7 170.095 -7.629 7.890 1.00 0.00 C ATOM 100 C SER A 7 170.175 -6.865 9.211 1.00 0.00 C ATOM 101 O SER A 7 169.765 -5.706 9.288 1.00 0.00 O ATOM 102 CB SER A 7 168.849 -8.520 7.871 1.00 0.00 C ATOM 103 OG SER A 7 167.663 -7.747 7.957 1.00 0.00 O ATOM 0 H SER A 7 171.126 -9.427 7.557 1.00 0.00 H new ATOM 0 HA SER A 7 170.022 -6.905 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 7 168.835 -9.111 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.889 -9.223 8.703 1.00 0.00 H new ATOM 0 HG SER A 7 166.884 -8.341 7.941 1.00 0.00 H new ATOM 109 N GLY A 8 170.714 -7.519 10.245 1.00 0.00 N ATOM 110 CA GLY A 8 170.849 -6.881 11.544 1.00 0.00 C ATOM 111 C GLY A 8 171.707 -5.631 11.487 1.00 0.00 C ATOM 112 O GLY A 8 171.407 -4.638 12.152 1.00 0.00 O ATOM 0 H GLY A 8 171.058 -8.478 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 8 169.860 -6.623 11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.287 -7.587 12.249 1.00 0.00 H new ATOM 116 N ILE A 9 172.768 -5.674 10.678 1.00 0.00 N ATOM 117 CA ILE A 9 173.663 -4.530 10.524 1.00 0.00 C ATOM 118 C ILE A 9 172.935 -3.373 9.842 1.00 0.00 C ATOM 119 O ILE A 9 173.017 -2.228 10.287 1.00 0.00 O ATOM 120 CB ILE A 9 174.927 -4.893 9.710 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.590 -6.158 10.270 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.912 -3.731 9.715 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.690 -6.708 9.387 1.00 0.00 C ATOM 0 H ILE A 9 173.026 -6.489 10.121 1.00 0.00 H new ATOM 0 HA ILE A 9 173.977 -4.230 11.524 1.00 0.00 H new ATOM 0 HB ILE A 9 174.626 -5.092 8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.002 -5.936 11.254 1.00 0.00 H new ATOM 0 HG13 ILE A 9 174.829 -6.926 10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.797 -4.001 9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.442 -2.854 9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.203 -3.505 10.741 1.00 0.00 H new ATOM 0 HD11 ILE A 9 177.113 -7.602 9.846 1.00 0.00 H new ATOM 0 HD12 ILE A 9 176.279 -6.962 8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.471 -5.957 9.268 1.00 0.00 H new ATOM 135 N LEU A 10 172.209 -3.686 8.767 1.00 0.00 N ATOM 136 CA LEU A 10 171.447 -2.677 8.033 1.00 0.00 C ATOM 137 C LEU A 10 170.362 -2.064 8.920 1.00 0.00 C ATOM 138 O LEU A 10 170.064 -0.873 8.813 1.00 0.00 O ATOM 139 CB LEU A 10 170.812 -3.284 6.776 1.00 0.00 C ATOM 140 CG LEU A 10 171.505 -2.924 5.456 1.00 0.00 C ATOM 141 CD1 LEU A 10 171.994 -4.180 4.748 1.00 0.00 C ATOM 142 CD2 LEU A 10 170.565 -2.132 4.555 1.00 0.00 C ATOM 0 H LEU A 10 172.133 -4.629 8.387 1.00 0.00 H new ATOM 0 HA LEU A 10 172.139 -1.890 7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.804 -4.369 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.772 -2.962 6.722 1.00 0.00 H new ATOM 0 HG LEU A 10 172.369 -2.300 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 10 172.483 -3.904 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 10 172.704 -4.705 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 10 171.146 -4.831 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 10 171.075 -1.886 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 10 169.680 -2.730 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 10 170.267 -1.213 5.059 1.00 0.00 H new ATOM 154 N LYS A 11 169.773 -2.888 9.795 1.00 0.00 N ATOM 155 CA LYS A 11 168.717 -2.429 10.697 1.00 0.00 C ATOM 156 C LYS A 11 169.194 -1.279 11.589 1.00 0.00 C ATOM 157 O LYS A 11 168.391 -0.442 11.995 1.00 0.00 O ATOM 158 CB LYS A 11 168.211 -3.582 11.569 1.00 0.00 C ATOM 159 CG LYS A 11 166.922 -4.208 11.057 1.00 0.00 C ATOM 160 CD LYS A 11 166.490 -5.394 11.908 1.00 0.00 C ATOM 161 CE LYS A 11 165.895 -4.949 13.238 1.00 0.00 C ATOM 162 NZ LYS A 11 164.404 -4.981 13.227 1.00 0.00 N ATOM 0 H LYS A 11 170.011 -3.875 9.895 1.00 0.00 H new ATOM 0 HA LYS A 11 167.900 -2.062 10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.982 -4.351 11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 11 168.051 -3.217 12.583 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.131 -3.458 11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 11 167.061 -4.532 10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 11 165.756 -5.986 11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 11 167.348 -6.041 12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 11 166.265 -5.595 14.034 1.00 0.00 H new ATOM 0 HE3 LYS A 11 166.233 -3.938 13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 164.043 -4.671 14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 164.049 -4.344 12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 164.079 -5.950 13.036 1.00 0.00 H new ATOM 176 N GLU A 12 170.499 -1.232 11.879 1.00 0.00 N ATOM 177 CA GLU A 12 171.062 -0.164 12.712 1.00 0.00 C ATOM 178 C GLU A 12 170.792 1.204 12.090 1.00 0.00 C ATOM 179 O GLU A 12 170.534 2.177 12.802 1.00 0.00 O ATOM 180 CB GLU A 12 172.570 -0.362 12.902 1.00 0.00 C ATOM 181 CG GLU A 12 172.928 -1.571 13.763 1.00 0.00 C ATOM 182 CD GLU A 12 174.428 -1.804 13.889 1.00 0.00 C ATOM 183 OE1 GLU A 12 175.215 -0.910 13.508 1.00 0.00 O ATOM 184 OE2 GLU A 12 174.816 -2.888 14.375 1.00 0.00 O ATOM 0 H GLU A 12 171.181 -1.916 11.552 1.00 0.00 H new ATOM 0 HA GLU A 12 170.577 -0.208 13.687 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.039 -0.472 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 12 172.990 0.534 13.358 1.00 0.00 H new ATOM 0 HG2 GLU A 12 172.504 -1.437 14.758 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.465 -2.461 13.337 1.00 0.00 H new ATOM 191 N MET A 13 170.840 1.269 10.758 1.00 0.00 N ATOM 192 CA MET A 13 170.585 2.515 10.043 1.00 0.00 C ATOM 193 C MET A 13 169.179 3.036 10.355 1.00 0.00 C ATOM 194 O MET A 13 168.975 4.239 10.484 1.00 0.00 O ATOM 195 CB MET A 13 170.756 2.320 8.533 1.00 0.00 C ATOM 196 CG MET A 13 172.081 1.677 8.147 1.00 0.00 C ATOM 197 SD MET A 13 172.566 2.038 6.450 1.00 0.00 S ATOM 198 CE MET A 13 173.126 0.424 5.913 1.00 0.00 C ATOM 0 H MET A 13 171.053 0.474 10.156 1.00 0.00 H new ATOM 0 HA MET A 13 171.313 3.254 10.379 1.00 0.00 H new ATOM 0 HB2 MET A 13 169.940 1.701 8.160 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.674 3.288 8.039 1.00 0.00 H new ATOM 0 HG2 MET A 13 172.860 2.027 8.825 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.007 0.597 8.277 1.00 0.00 H new ATOM 0 HE1 MET A 13 173.714 0.528 5.001 1.00 0.00 H new ATOM 0 HE2 MET A 13 173.741 -0.026 6.692 1.00 0.00 H new ATOM 0 HE3 MET A 13 172.264 -0.214 5.718 1.00 0.00 H new ATOM 208 N PHE A 14 168.213 2.121 10.489 1.00 0.00 N ATOM 209 CA PHE A 14 166.834 2.501 10.803 1.00 0.00 C ATOM 210 C PHE A 14 166.501 2.272 12.287 1.00 0.00 C ATOM 211 O PHE A 14 165.370 2.513 12.715 1.00 0.00 O ATOM 212 CB PHE A 14 165.856 1.718 9.924 1.00 0.00 C ATOM 213 CG PHE A 14 165.003 2.595 9.054 1.00 0.00 C ATOM 214 CD1 PHE A 14 165.445 2.988 7.802 1.00 0.00 C ATOM 215 CD2 PHE A 14 163.759 3.025 9.486 1.00 0.00 C ATOM 216 CE1 PHE A 14 164.664 3.794 6.996 1.00 0.00 C ATOM 217 CE2 PHE A 14 162.972 3.830 8.686 1.00 0.00 C ATOM 218 CZ PHE A 14 163.425 4.215 7.439 1.00 0.00 C ATOM 0 H PHE A 14 168.361 1.117 10.385 1.00 0.00 H new ATOM 0 HA PHE A 14 166.734 3.567 10.599 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.418 1.029 9.293 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.211 1.113 10.561 1.00 0.00 H new ATOM 0 HD1 PHE A 14 166.412 2.660 7.451 1.00 0.00 H new ATOM 0 HD2 PHE A 14 163.400 2.727 10.460 1.00 0.00 H new ATOM 0 HE1 PHE A 14 165.021 4.094 6.022 1.00 0.00 H new ATOM 0 HE2 PHE A 14 162.004 4.158 9.035 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.811 4.844 6.811 1.00 0.00 H new ATOM 228 N ALA A 15 167.484 1.814 13.071 1.00 0.00 N ATOM 229 CA ALA A 15 167.279 1.565 14.500 1.00 0.00 C ATOM 230 C ALA A 15 167.760 2.744 15.354 1.00 0.00 C ATOM 231 O ALA A 15 168.009 2.592 16.552 1.00 0.00 O ATOM 232 CB ALA A 15 167.989 0.284 14.921 1.00 0.00 C ATOM 0 H ALA A 15 168.427 1.609 12.740 1.00 0.00 H new ATOM 0 HA ALA A 15 166.208 1.450 14.666 1.00 0.00 H new ATOM 0 HB1 ALA A 15 167.828 0.112 15.985 1.00 0.00 H new ATOM 0 HB2 ALA A 15 167.590 -0.556 14.353 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.057 0.379 14.726 1.00 0.00 H new ATOM 238 N LYS A 16 167.893 3.916 14.725 1.00 0.00 N ATOM 239 CA LYS A 16 168.348 5.131 15.411 1.00 0.00 C ATOM 240 C LYS A 16 169.822 5.022 15.818 1.00 0.00 C ATOM 241 O LYS A 16 170.252 5.636 16.795 1.00 0.00 O ATOM 242 CB LYS A 16 167.477 5.424 16.644 1.00 0.00 C ATOM 243 CG LYS A 16 165.979 5.299 16.390 1.00 0.00 C ATOM 244 CD LYS A 16 165.311 6.660 16.257 1.00 0.00 C ATOM 245 CE LYS A 16 164.271 6.661 15.146 1.00 0.00 C ATOM 246 NZ LYS A 16 163.342 7.822 15.246 1.00 0.00 N ATOM 0 H LYS A 16 167.690 4.050 13.734 1.00 0.00 H new ATOM 0 HA LYS A 16 168.249 5.959 14.710 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.757 4.740 17.445 1.00 0.00 H new ATOM 0 HB3 LYS A 16 167.692 6.433 16.997 1.00 0.00 H new ATOM 0 HG2 LYS A 16 165.812 4.722 15.480 1.00 0.00 H new ATOM 0 HG3 LYS A 16 165.517 4.746 17.208 1.00 0.00 H new ATOM 0 HD2 LYS A 16 164.837 6.928 17.201 1.00 0.00 H new ATOM 0 HD3 LYS A 16 166.066 7.419 16.052 1.00 0.00 H new ATOM 0 HE2 LYS A 16 164.774 6.683 14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 16 163.698 5.735 15.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 162.651 7.782 14.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 162.841 7.789 16.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 163.884 8.707 15.181 1.00 0.00 H new ATOM 260 N LYS A 17 170.593 4.243 15.055 1.00 0.00 N ATOM 261 CA LYS A 17 172.018 4.060 15.329 1.00 0.00 C ATOM 262 C LYS A 17 172.872 4.614 14.184 1.00 0.00 C ATOM 263 O LYS A 17 173.985 5.093 14.408 1.00 0.00 O ATOM 264 CB LYS A 17 172.334 2.578 15.553 1.00 0.00 C ATOM 265 CG LYS A 17 171.674 1.995 16.796 1.00 0.00 C ATOM 266 CD LYS A 17 171.537 0.482 16.698 1.00 0.00 C ATOM 267 CE LYS A 17 171.971 -0.204 17.985 1.00 0.00 C ATOM 268 NZ LYS A 17 172.682 -1.487 17.722 1.00 0.00 N ATOM 0 H LYS A 17 170.253 3.729 14.242 1.00 0.00 H new ATOM 0 HA LYS A 17 172.260 4.613 16.236 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.011 2.010 14.680 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.414 2.453 15.633 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.263 2.252 17.676 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.689 2.443 16.930 1.00 0.00 H new ATOM 0 HD2 LYS A 17 170.501 0.223 16.479 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.140 0.114 15.868 1.00 0.00 H new ATOM 0 HE2 LYS A 17 172.623 0.463 18.549 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.096 -0.395 18.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 172.960 -1.921 18.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 172.052 -2.134 17.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 173.531 -1.303 17.151 1.00 0.00 H new ATOM 282 N HIS A 18 172.339 4.555 12.961 1.00 0.00 N ATOM 283 CA HIS A 18 173.039 5.056 11.784 1.00 0.00 C ATOM 284 C HIS A 18 172.055 5.687 10.793 1.00 0.00 C ATOM 285 O HIS A 18 172.284 5.675 9.582 1.00 0.00 O ATOM 286 CB HIS A 18 173.813 3.921 11.110 1.00 0.00 C ATOM 287 CG HIS A 18 175.197 4.306 10.690 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.077 4.976 11.514 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.852 4.107 9.524 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.215 5.171 10.872 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.104 4.653 9.662 1.00 0.00 N ATOM 0 H HIS A 18 171.419 4.162 12.763 1.00 0.00 H new ATOM 0 HA HIS A 18 173.743 5.825 12.104 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.872 3.076 11.796 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.258 3.583 10.235 1.00 0.00 H new ATOM 0 HD1 HIS A 18 175.880 5.274 12.469 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.463 3.611 8.647 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.087 5.669 11.269 1.00 0.00 H new ATOM 300 N ALA A 19 170.959 6.242 11.319 1.00 0.00 N ATOM 301 CA ALA A 19 169.939 6.879 10.487 1.00 0.00 C ATOM 302 C ALA A 19 170.379 8.268 10.047 1.00 0.00 C ATOM 303 O ALA A 19 170.101 8.685 8.926 1.00 0.00 O ATOM 304 CB ALA A 19 168.615 6.960 11.232 1.00 0.00 C ATOM 0 H ALA A 19 170.757 6.262 12.319 1.00 0.00 H new ATOM 0 HA ALA A 19 169.804 6.265 9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.869 7.437 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.282 5.955 11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.745 7.546 12.142 1.00 0.00 H new ATOM 310 N ALA A 20 171.072 8.976 10.935 1.00 0.00 N ATOM 311 CA ALA A 20 171.557 10.320 10.631 1.00 0.00 C ATOM 312 C ALA A 20 172.670 10.284 9.585 1.00 0.00 C ATOM 313 O ALA A 20 172.817 11.215 8.791 1.00 0.00 O ATOM 314 CB ALA A 20 172.045 11.009 11.897 1.00 0.00 C ATOM 0 H ALA A 20 171.310 8.643 11.869 1.00 0.00 H new ATOM 0 HA ALA A 20 170.724 10.890 10.218 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.403 12.009 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.225 11.082 12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.858 10.430 12.336 1.00 0.00 H new ATOM 320 N TYR A 21 173.453 9.204 9.585 1.00 0.00 N ATOM 321 CA TYR A 21 174.548 9.053 8.635 1.00 0.00 C ATOM 322 C TYR A 21 174.069 8.439 7.316 1.00 0.00 C ATOM 323 O TYR A 21 174.639 8.716 6.260 1.00 0.00 O ATOM 324 CB TYR A 21 175.661 8.197 9.243 1.00 0.00 C ATOM 325 CG TYR A 21 176.629 8.984 10.101 1.00 0.00 C ATOM 326 CD1 TYR A 21 177.619 9.769 9.522 1.00 0.00 C ATOM 327 CD2 TYR A 21 176.551 8.944 11.488 1.00 0.00 C ATOM 328 CE1 TYR A 21 178.504 10.490 10.301 1.00 0.00 C ATOM 329 CE2 TYR A 21 177.433 9.662 12.273 1.00 0.00 C ATOM 330 CZ TYR A 21 178.407 10.433 11.675 1.00 0.00 C ATOM 331 OH TYR A 21 179.289 11.147 12.455 1.00 0.00 O ATOM 0 H TYR A 21 173.347 8.423 10.233 1.00 0.00 H new ATOM 0 HA TYR A 21 174.939 10.047 8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.213 7.407 9.846 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.214 7.710 8.440 1.00 0.00 H new ATOM 0 HD1 TYR A 21 177.698 9.816 8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 21 175.789 8.342 11.960 1.00 0.00 H new ATOM 0 HE1 TYR A 21 179.268 11.095 9.836 1.00 0.00 H new ATOM 0 HE2 TYR A 21 177.360 9.619 13.350 1.00 0.00 H new ATOM 0 HH TYR A 21 179.083 10.998 13.402 1.00 0.00 H new ATOM 341 N ALA A 22 173.027 7.606 7.378 1.00 0.00 N ATOM 342 CA ALA A 22 172.493 6.963 6.177 1.00 0.00 C ATOM 343 C ALA A 22 171.080 7.451 5.832 1.00 0.00 C ATOM 344 O ALA A 22 170.332 6.753 5.144 1.00 0.00 O ATOM 345 CB ALA A 22 172.502 5.449 6.347 1.00 0.00 C ATOM 0 H ALA A 22 172.540 7.363 8.241 1.00 0.00 H new ATOM 0 HA ALA A 22 173.140 7.241 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.103 4.980 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.524 5.107 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.886 5.175 7.203 1.00 0.00 H new ATOM 351 N TRP A 23 170.716 8.649 6.298 1.00 0.00 N ATOM 352 CA TRP A 23 169.390 9.207 6.016 1.00 0.00 C ATOM 353 C TRP A 23 169.198 9.428 4.511 1.00 0.00 C ATOM 354 O TRP A 23 168.223 8.946 3.933 1.00 0.00 O ATOM 355 CB TRP A 23 169.178 10.524 6.777 1.00 0.00 C ATOM 356 CG TRP A 23 167.741 10.803 7.118 1.00 0.00 C ATOM 357 CD1 TRP A 23 166.669 10.734 6.275 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.221 11.207 8.393 1.00 0.00 C ATOM 359 NE1 TRP A 23 165.518 11.069 6.945 1.00 0.00 N ATOM 360 CE2 TRP A 23 165.830 11.363 8.246 1.00 0.00 C ATOM 361 CE3 TRP A 23 167.796 11.449 9.645 1.00 0.00 C ATOM 362 CZ2 TRP A 23 165.007 11.753 9.301 1.00 0.00 C ATOM 363 CZ3 TRP A 23 166.978 11.836 10.691 1.00 0.00 C ATOM 364 CH2 TRP A 23 165.597 11.984 10.513 1.00 0.00 C ATOM 0 H TRP A 23 171.315 9.247 6.867 1.00 0.00 H new ATOM 0 HA TRP A 23 168.646 8.487 6.357 1.00 0.00 H new ATOM 0 HB2 TRP A 23 169.762 10.499 7.697 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.565 11.347 6.176 1.00 0.00 H new ATOM 0 HD1 TRP A 23 166.719 10.456 5.233 1.00 0.00 H new ATOM 0 HE1 TRP A 23 164.582 11.095 6.540 1.00 0.00 H new ATOM 0 HE3 TRP A 23 168.860 11.336 9.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 163.942 11.869 9.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 167.412 12.027 11.661 1.00 0.00 H new ATOM 0 HH2 TRP A 23 164.985 12.287 11.350 1.00 0.00 H new ATOM 375 N PRO A 24 170.124 10.165 3.852 1.00 0.00 N ATOM 376 CA PRO A 24 170.038 10.441 2.415 1.00 0.00 C ATOM 377 C PRO A 24 170.609 9.319 1.541 1.00 0.00 C ATOM 378 O PRO A 24 170.342 9.269 0.340 1.00 0.00 O ATOM 379 CB PRO A 24 170.878 11.705 2.270 1.00 0.00 C ATOM 380 CG PRO A 24 171.934 11.578 3.317 1.00 0.00 C ATOM 381 CD PRO A 24 171.324 10.792 4.453 1.00 0.00 C ATOM 0 HA PRO A 24 169.004 10.537 2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.314 11.779 1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.276 12.601 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 24 172.812 11.068 2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 24 172.262 12.560 3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.016 10.042 4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.060 11.439 5.289 1.00 0.00 H new ATOM 389 N PHE A 25 171.402 8.427 2.142 1.00 0.00 N ATOM 390 CA PHE A 25 172.010 7.323 1.406 1.00 0.00 C ATOM 391 C PHE A 25 171.264 6.006 1.646 1.00 0.00 C ATOM 392 O PHE A 25 171.871 4.933 1.656 1.00 0.00 O ATOM 393 CB PHE A 25 173.485 7.182 1.804 1.00 0.00 C ATOM 394 CG PHE A 25 174.421 8.019 0.972 1.00 0.00 C ATOM 395 CD1 PHE A 25 174.150 9.357 0.727 1.00 0.00 C ATOM 396 CD2 PHE A 25 175.574 7.465 0.436 1.00 0.00 C ATOM 397 CE1 PHE A 25 175.009 10.124 -0.036 1.00 0.00 C ATOM 398 CE2 PHE A 25 176.436 8.229 -0.327 1.00 0.00 C ATOM 399 CZ PHE A 25 176.153 9.559 -0.563 1.00 0.00 C ATOM 0 H PHE A 25 171.636 8.451 3.135 1.00 0.00 H new ATOM 0 HA PHE A 25 171.943 7.548 0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.597 7.461 2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.776 6.135 1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 25 173.257 9.804 1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.801 6.425 0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 25 174.786 11.165 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 25 177.331 7.786 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 25 176.826 10.157 -1.159 1.00 0.00 H new ATOM 409 N TYR A 26 169.944 6.090 1.826 1.00 0.00 N ATOM 410 CA TYR A 26 169.122 4.902 2.055 1.00 0.00 C ATOM 411 C TYR A 26 168.276 4.573 0.823 1.00 0.00 C ATOM 412 O TYR A 26 168.207 3.418 0.401 1.00 0.00 O ATOM 413 CB TYR A 26 168.215 5.104 3.273 1.00 0.00 C ATOM 414 CG TYR A 26 167.953 3.833 4.054 1.00 0.00 C ATOM 415 CD1 TYR A 26 168.919 3.303 4.902 1.00 0.00 C ATOM 416 CD2 TYR A 26 166.740 3.165 3.943 1.00 0.00 C ATOM 417 CE1 TYR A 26 168.682 2.144 5.617 1.00 0.00 C ATOM 418 CE2 TYR A 26 166.496 2.005 4.655 1.00 0.00 C ATOM 419 CZ TYR A 26 167.469 1.499 5.490 1.00 0.00 C ATOM 420 OH TYR A 26 167.227 0.347 6.204 1.00 0.00 O ATOM 0 H TYR A 26 169.423 6.967 1.817 1.00 0.00 H new ATOM 0 HA TYR A 26 169.792 4.064 2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.670 5.840 3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.263 5.519 2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 26 169.870 3.805 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 26 165.975 3.558 3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 26 169.443 1.745 6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 26 165.548 1.498 4.557 1.00 0.00 H new ATOM 0 HH TYR A 26 166.326 0.020 6.001 1.00 0.00 H new ATOM 430 N LYS A 27 167.636 5.596 0.251 1.00 0.00 N ATOM 431 CA LYS A 27 166.793 5.414 -0.932 1.00 0.00 C ATOM 432 C LYS A 27 167.623 5.474 -2.220 1.00 0.00 C ATOM 433 O LYS A 27 168.746 5.985 -2.221 1.00 0.00 O ATOM 434 CB LYS A 27 165.693 6.481 -0.965 1.00 0.00 C ATOM 435 CG LYS A 27 164.346 5.987 -0.456 1.00 0.00 C ATOM 436 CD LYS A 27 163.238 6.992 -0.743 1.00 0.00 C ATOM 437 CE LYS A 27 161.954 6.304 -1.189 1.00 0.00 C ATOM 438 NZ LYS A 27 160.737 6.982 -0.654 1.00 0.00 N ATOM 0 H LYS A 27 167.686 6.557 0.588 1.00 0.00 H new ATOM 0 HA LYS A 27 166.334 4.427 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 27 166.008 7.334 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.576 6.838 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 27 164.105 5.034 -0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.406 5.806 0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 27 163.042 7.583 0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 27 163.567 7.685 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 27 161.911 6.290 -2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 27 161.965 5.266 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 159.887 6.480 -0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 160.764 6.974 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 160.711 7.965 -0.992 1.00 0.00 H new ATOM 452 N PRO A 28 167.076 4.948 -3.338 1.00 0.00 N ATOM 453 CA PRO A 28 167.768 4.940 -4.638 1.00 0.00 C ATOM 454 C PRO A 28 167.917 6.339 -5.237 1.00 0.00 C ATOM 455 O PRO A 28 167.275 7.291 -4.786 1.00 0.00 O ATOM 456 CB PRO A 28 166.860 4.077 -5.520 1.00 0.00 C ATOM 457 CG PRO A 28 165.510 4.189 -4.900 1.00 0.00 C ATOM 458 CD PRO A 28 165.744 4.318 -3.421 1.00 0.00 C ATOM 0 HA PRO A 28 168.787 4.563 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 28 166.853 4.434 -6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.200 3.042 -5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 28 164.973 5.055 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 28 164.903 3.312 -5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.979 4.932 -2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.727 3.347 -2.926 1.00 0.00 H new ATOM 466 N VAL A 29 168.766 6.454 -6.260 1.00 0.00 N ATOM 467 CA VAL A 29 168.997 7.735 -6.923 1.00 0.00 C ATOM 468 C VAL A 29 168.029 7.934 -8.094 1.00 0.00 C ATOM 469 O VAL A 29 168.372 7.683 -9.252 1.00 0.00 O ATOM 470 CB VAL A 29 170.456 7.876 -7.420 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.399 8.092 -6.245 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.882 6.662 -8.237 1.00 0.00 C ATOM 0 H VAL A 29 169.303 5.677 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 29 168.817 8.509 -6.177 1.00 0.00 H new ATOM 0 HB VAL A 29 170.507 8.748 -8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.421 8.189 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 29 171.116 9.001 -5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.336 7.241 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.911 6.792 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.811 5.766 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 29 170.229 6.559 -9.104 1.00 0.00 H new ATOM 482 N ASP A 30 166.814 8.389 -7.777 1.00 0.00 N ATOM 483 CA ASP A 30 165.783 8.630 -8.789 1.00 0.00 C ATOM 484 C ASP A 30 166.250 9.663 -9.813 1.00 0.00 C ATOM 485 O ASP A 30 166.296 10.858 -9.522 1.00 0.00 O ATOM 486 CB ASP A 30 164.487 9.112 -8.125 1.00 0.00 C ATOM 487 CG ASP A 30 163.844 8.053 -7.248 1.00 0.00 C ATOM 488 OD1 ASP A 30 163.604 6.932 -7.745 1.00 0.00 O ATOM 489 OD2 ASP A 30 163.576 8.347 -6.064 1.00 0.00 O ATOM 0 H ASP A 30 166.520 8.599 -6.823 1.00 0.00 H new ATOM 0 HA ASP A 30 165.595 7.689 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.700 9.995 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 30 163.780 9.416 -8.897 1.00 0.00 H new ATOM 494 N VAL A 31 166.601 9.196 -11.010 1.00 0.00 N ATOM 495 CA VAL A 31 167.070 10.087 -12.070 1.00 0.00 C ATOM 496 C VAL A 31 166.000 11.111 -12.466 1.00 0.00 C ATOM 497 O VAL A 31 166.315 12.277 -12.701 1.00 0.00 O ATOM 498 CB VAL A 31 167.534 9.297 -13.319 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.389 8.501 -13.934 1.00 0.00 C ATOM 500 CG2 VAL A 31 168.152 10.234 -14.347 1.00 0.00 C ATOM 0 H VAL A 31 166.570 8.210 -11.270 1.00 0.00 H new ATOM 0 HA VAL A 31 167.927 10.625 -11.665 1.00 0.00 H new ATOM 0 HB VAL A 31 168.294 8.585 -12.997 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.751 7.959 -14.808 1.00 0.00 H new ATOM 0 HG12 VAL A 31 166.004 7.792 -13.201 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.592 9.182 -14.233 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.472 9.660 -15.217 1.00 0.00 H new ATOM 0 HG22 VAL A 31 167.414 10.976 -14.653 1.00 0.00 H new ATOM 0 HG23 VAL A 31 169.013 10.738 -13.909 1.00 0.00 H new ATOM 510 N GLU A 32 164.741 10.673 -12.538 1.00 0.00 N ATOM 511 CA GLU A 32 163.637 11.564 -12.901 1.00 0.00 C ATOM 512 C GLU A 32 163.310 12.545 -11.772 1.00 0.00 C ATOM 513 O GLU A 32 163.114 13.736 -12.016 1.00 0.00 O ATOM 514 CB GLU A 32 162.394 10.751 -13.272 1.00 0.00 C ATOM 515 CG GLU A 32 162.590 9.891 -14.512 1.00 0.00 C ATOM 516 CD GLU A 32 161.784 8.605 -14.477 1.00 0.00 C ATOM 517 OE1 GLU A 32 161.862 7.879 -13.463 1.00 0.00 O ATOM 518 OE2 GLU A 32 161.081 8.321 -15.469 1.00 0.00 O ATOM 0 H GLU A 32 164.461 9.710 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 32 163.954 12.145 -13.767 1.00 0.00 H new ATOM 0 HB2 GLU A 32 162.122 10.111 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 32 161.559 11.431 -13.438 1.00 0.00 H new ATOM 0 HG2 GLU A 32 162.308 10.466 -15.394 1.00 0.00 H new ATOM 0 HG3 GLU A 32 163.647 9.648 -14.615 1.00 0.00 H new ATOM 525 N ALA A 33 163.242 12.038 -10.537 1.00 0.00 N ATOM 526 CA ALA A 33 162.925 12.873 -9.377 1.00 0.00 C ATOM 527 C ALA A 33 164.074 13.816 -9.019 1.00 0.00 C ATOM 528 O ALA A 33 163.859 15.010 -8.810 1.00 0.00 O ATOM 529 CB ALA A 33 162.566 12.009 -8.174 1.00 0.00 C ATOM 0 H ALA A 33 163.402 11.055 -10.316 1.00 0.00 H new ATOM 0 HA ALA A 33 162.065 13.484 -9.649 1.00 0.00 H new ATOM 0 HB1 ALA A 33 162.334 12.649 -7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 33 161.698 11.395 -8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 33 163.409 11.365 -7.924 1.00 0.00 H new ATOM 535 N LEU A 34 165.290 13.276 -8.939 1.00 0.00 N ATOM 536 CA LEU A 34 166.463 14.079 -8.591 1.00 0.00 C ATOM 537 C LEU A 34 167.003 14.856 -9.793 1.00 0.00 C ATOM 538 O LEU A 34 167.703 15.856 -9.622 1.00 0.00 O ATOM 539 CB LEU A 34 167.571 13.188 -8.024 1.00 0.00 C ATOM 540 CG LEU A 34 167.181 12.349 -6.804 1.00 0.00 C ATOM 541 CD1 LEU A 34 168.077 11.123 -6.693 1.00 0.00 C ATOM 542 CD2 LEU A 34 167.255 13.187 -5.535 1.00 0.00 C ATOM 0 H LEU A 34 165.489 12.290 -9.110 1.00 0.00 H new ATOM 0 HA LEU A 34 166.145 14.799 -7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 34 167.912 12.516 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 34 168.418 13.819 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 34 166.152 12.011 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 34 167.786 10.538 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.972 10.513 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 34 169.115 11.439 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 34 166.975 12.575 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 34 168.272 13.555 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 34 166.571 14.032 -5.617 1.00 0.00 H new ATOM 554 N GLY A 35 166.682 14.398 -11.005 1.00 0.00 N ATOM 555 CA GLY A 35 167.153 15.073 -12.204 1.00 0.00 C ATOM 556 C GLY A 35 168.646 14.906 -12.415 1.00 0.00 C ATOM 557 O GLY A 35 169.362 15.892 -12.595 1.00 0.00 O ATOM 0 H GLY A 35 166.106 13.574 -11.176 1.00 0.00 H new ATOM 0 HA2 GLY A 35 166.621 14.681 -13.071 1.00 0.00 H new ATOM 0 HA3 GLY A 35 166.915 16.135 -12.137 1.00 0.00 H new ATOM 561 N LEU A 36 169.118 13.657 -12.390 1.00 0.00 N ATOM 562 CA LEU A 36 170.540 13.369 -12.579 1.00 0.00 C ATOM 563 C LEU A 36 170.755 12.314 -13.667 1.00 0.00 C ATOM 564 O LEU A 36 171.062 11.156 -13.376 1.00 0.00 O ATOM 565 CB LEU A 36 171.190 12.917 -11.257 1.00 0.00 C ATOM 566 CG LEU A 36 170.286 12.134 -10.293 1.00 0.00 C ATOM 567 CD1 LEU A 36 170.341 10.642 -10.590 1.00 0.00 C ATOM 568 CD2 LEU A 36 170.691 12.404 -8.850 1.00 0.00 C ATOM 0 H LEU A 36 168.537 12.832 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 36 171.021 14.292 -12.903 1.00 0.00 H new ATOM 0 HB2 LEU A 36 172.056 12.299 -11.494 1.00 0.00 H new ATOM 0 HB3 LEU A 36 171.562 13.800 -10.738 1.00 0.00 H new ATOM 0 HG LEU A 36 169.260 12.472 -10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 36 169.693 10.108 -9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 36 170.004 10.462 -11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 36 171.365 10.286 -10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 36 170.041 11.842 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 36 171.725 12.094 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 36 170.597 13.469 -8.639 1.00 0.00 H new ATOM 580 N HIS A 37 170.610 12.727 -14.929 1.00 0.00 N ATOM 581 CA HIS A 37 170.804 11.816 -16.060 1.00 0.00 C ATOM 582 C HIS A 37 172.284 11.458 -16.243 1.00 0.00 C ATOM 583 O HIS A 37 172.614 10.541 -16.999 1.00 0.00 O ATOM 584 CB HIS A 37 170.253 12.425 -17.353 1.00 0.00 C ATOM 585 CG HIS A 37 169.333 11.505 -18.095 1.00 0.00 C ATOM 586 ND1 HIS A 37 169.708 10.818 -19.231 1.00 0.00 N ATOM 587 CD2 HIS A 37 168.046 11.157 -17.855 1.00 0.00 C ATOM 588 CE1 HIS A 37 168.691 10.089 -19.658 1.00 0.00 C ATOM 589 NE2 HIS A 37 167.672 10.276 -18.841 1.00 0.00 N ATOM 0 H HIS A 37 170.360 13.680 -15.192 1.00 0.00 H new ATOM 0 HA HIS A 37 170.254 10.902 -15.837 1.00 0.00 H new ATOM 0 HB2 HIS A 37 169.721 13.346 -17.115 1.00 0.00 H new ATOM 0 HB3 HIS A 37 171.085 12.697 -18.002 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.429 11.507 -17.041 1.00 0.00 H new ATOM 0 HE1 HIS A 37 168.694 9.449 -20.528 1.00 0.00 H new ATOM 0 HE2 HIS A 37 166.755 9.838 -18.927 1.00 0.00 H new ATOM 598 N ASP A 38 173.171 12.177 -15.545 1.00 0.00 N ATOM 599 CA ASP A 38 174.607 11.921 -15.632 1.00 0.00 C ATOM 600 C ASP A 38 175.003 10.674 -14.836 1.00 0.00 C ATOM 601 O ASP A 38 176.082 10.120 -15.049 1.00 0.00 O ATOM 602 CB ASP A 38 175.400 13.134 -15.130 1.00 0.00 C ATOM 603 CG ASP A 38 176.598 13.454 -16.008 1.00 0.00 C ATOM 604 OD1 ASP A 38 176.458 13.414 -17.248 1.00 0.00 O ATOM 605 OD2 ASP A 38 177.676 13.751 -15.452 1.00 0.00 O ATOM 0 H ASP A 38 172.917 12.938 -14.916 1.00 0.00 H new ATOM 0 HA ASP A 38 174.847 11.745 -16.681 1.00 0.00 H new ATOM 0 HB2 ASP A 38 174.742 14.002 -15.090 1.00 0.00 H new ATOM 0 HB3 ASP A 38 175.741 12.945 -14.112 1.00 0.00 H new ATOM 610 N TYR A 39 174.129 10.231 -13.926 1.00 0.00 N ATOM 611 CA TYR A 39 174.398 9.045 -13.115 1.00 0.00 C ATOM 612 C TYR A 39 174.696 7.832 -13.995 1.00 0.00 C ATOM 613 O TYR A 39 175.580 7.037 -13.683 1.00 0.00 O ATOM 614 CB TYR A 39 173.209 8.746 -12.201 1.00 0.00 C ATOM 615 CG TYR A 39 173.577 7.948 -10.970 1.00 0.00 C ATOM 616 CD1 TYR A 39 173.972 8.585 -9.801 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.523 6.559 -10.976 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.307 7.861 -8.672 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.854 5.829 -9.851 1.00 0.00 C ATOM 620 CZ TYR A 39 174.244 6.484 -8.702 1.00 0.00 C ATOM 621 OH TYR A 39 174.575 5.760 -7.579 1.00 0.00 O ATOM 0 H TYR A 39 173.232 10.677 -13.735 1.00 0.00 H new ATOM 0 HA TYR A 39 175.277 9.249 -12.504 1.00 0.00 H new ATOM 0 HB2 TYR A 39 172.754 9.687 -11.891 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.455 8.198 -12.767 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.018 9.664 -9.773 1.00 0.00 H new ATOM 0 HD2 TYR A 39 173.218 6.043 -11.874 1.00 0.00 H new ATOM 0 HE1 TYR A 39 174.616 8.371 -7.772 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.808 4.750 -9.871 1.00 0.00 H new ATOM 0 HH TYR A 39 174.477 4.803 -7.766 1.00 0.00 H new ATOM 631 N CYS A 40 173.961 7.701 -15.102 1.00 0.00 N ATOM 632 CA CYS A 40 174.165 6.589 -16.031 1.00 0.00 C ATOM 633 C CYS A 40 175.536 6.693 -16.705 1.00 0.00 C ATOM 634 O CYS A 40 176.194 5.680 -16.952 1.00 0.00 O ATOM 635 CB CYS A 40 173.059 6.563 -17.092 1.00 0.00 C ATOM 636 SG CYS A 40 173.087 5.098 -18.152 1.00 0.00 S ATOM 0 H CYS A 40 173.222 8.349 -15.375 1.00 0.00 H new ATOM 0 HA CYS A 40 174.126 5.661 -15.461 1.00 0.00 H new ATOM 0 HB2 CYS A 40 172.091 6.619 -16.594 1.00 0.00 H new ATOM 0 HB3 CYS A 40 173.148 7.452 -17.716 1.00 0.00 H new ATOM 0 HG CYS A 40 172.115 5.167 -19.013 1.00 0.00 H new ATOM 642 N ASP A 41 175.959 7.925 -16.997 1.00 0.00 N ATOM 643 CA ASP A 41 177.250 8.170 -17.640 1.00 0.00 C ATOM 644 C ASP A 41 178.407 7.983 -16.658 1.00 0.00 C ATOM 645 O ASP A 41 179.413 7.354 -16.989 1.00 0.00 O ATOM 646 CB ASP A 41 177.290 9.585 -18.233 1.00 0.00 C ATOM 647 CG ASP A 41 176.769 9.636 -19.658 1.00 0.00 C ATOM 648 OD1 ASP A 41 175.729 9.000 -19.938 1.00 0.00 O ATOM 649 OD2 ASP A 41 177.400 10.315 -20.496 1.00 0.00 O ATOM 0 H ASP A 41 175.424 8.770 -16.797 1.00 0.00 H new ATOM 0 HA ASP A 41 177.365 7.441 -18.442 1.00 0.00 H new ATOM 0 HB2 ASP A 41 176.697 10.253 -17.609 1.00 0.00 H new ATOM 0 HB3 ASP A 41 178.315 9.955 -18.211 1.00 0.00 H new ATOM 654 N ILE A 42 178.262 8.533 -15.450 1.00 0.00 N ATOM 655 CA ILE A 42 179.301 8.424 -14.426 1.00 0.00 C ATOM 656 C ILE A 42 179.325 7.029 -13.801 1.00 0.00 C ATOM 657 O ILE A 42 180.374 6.384 -13.741 1.00 0.00 O ATOM 658 CB ILE A 42 179.112 9.462 -13.297 1.00 0.00 C ATOM 659 CG1 ILE A 42 178.925 10.871 -13.868 1.00 0.00 C ATOM 660 CG2 ILE A 42 180.301 9.429 -12.348 1.00 0.00 C ATOM 661 CD1 ILE A 42 178.280 11.831 -12.891 1.00 0.00 C ATOM 0 H ILE A 42 177.437 9.057 -15.158 1.00 0.00 H new ATOM 0 HA ILE A 42 180.246 8.616 -14.934 1.00 0.00 H new ATOM 0 HB ILE A 42 178.210 9.201 -12.743 1.00 0.00 H new ATOM 0 HG12 ILE A 42 179.896 11.266 -14.168 1.00 0.00 H new ATOM 0 HG13 ILE A 42 178.313 10.813 -14.768 1.00 0.00 H new ATOM 0 HG21 ILE A 42 180.156 10.165 -11.557 1.00 0.00 H new ATOM 0 HG22 ILE A 42 180.388 8.436 -11.908 1.00 0.00 H new ATOM 0 HG23 ILE A 42 181.212 9.663 -12.898 1.00 0.00 H new ATOM 0 HD11 ILE A 42 178.177 12.810 -13.358 1.00 0.00 H new ATOM 0 HD12 ILE A 42 177.295 11.457 -12.610 1.00 0.00 H new ATOM 0 HD13 ILE A 42 178.903 11.917 -12.001 1.00 0.00 H new ATOM 673 N ILE A 43 178.166 6.578 -13.323 1.00 0.00 N ATOM 674 CA ILE A 43 178.048 5.268 -12.688 1.00 0.00 C ATOM 675 C ILE A 43 177.657 4.196 -13.704 1.00 0.00 C ATOM 676 O ILE A 43 176.502 4.122 -14.125 1.00 0.00 O ATOM 677 CB ILE A 43 177.006 5.291 -11.545 1.00 0.00 C ATOM 678 CG1 ILE A 43 177.274 6.465 -10.593 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.011 3.971 -10.784 1.00 0.00 C ATOM 680 CD1 ILE A 43 178.604 6.380 -9.872 1.00 0.00 C ATOM 0 H ILE A 43 177.293 7.104 -13.364 1.00 0.00 H new ATOM 0 HA ILE A 43 179.026 5.026 -12.272 1.00 0.00 H new ATOM 0 HB ILE A 43 176.019 5.426 -11.986 1.00 0.00 H new ATOM 0 HG12 ILE A 43 177.238 7.395 -11.160 1.00 0.00 H new ATOM 0 HG13 ILE A 43 176.474 6.511 -9.854 1.00 0.00 H new ATOM 0 HG21 ILE A 43 176.271 4.009 -9.985 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.767 3.157 -11.466 1.00 0.00 H new ATOM 0 HG23 ILE A 43 177.999 3.802 -10.356 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.720 7.245 -9.219 1.00 0.00 H new ATOM 0 HD12 ILE A 43 178.637 5.468 -9.276 1.00 0.00 H new ATOM 0 HD13 ILE A 43 179.413 6.366 -10.602 1.00 0.00 H new ATOM 692 N LYS A 44 178.626 3.365 -14.090 1.00 0.00 N ATOM 693 CA LYS A 44 178.379 2.294 -15.056 1.00 0.00 C ATOM 694 C LYS A 44 177.547 1.166 -14.438 1.00 0.00 C ATOM 695 O LYS A 44 176.735 0.541 -15.122 1.00 0.00 O ATOM 696 CB LYS A 44 179.703 1.737 -15.593 1.00 0.00 C ATOM 697 CG LYS A 44 180.572 1.075 -14.532 1.00 0.00 C ATOM 698 CD LYS A 44 182.025 0.995 -14.969 1.00 0.00 C ATOM 699 CE LYS A 44 182.291 -0.241 -15.816 1.00 0.00 C ATOM 700 NZ LYS A 44 183.729 -0.362 -16.193 1.00 0.00 N ATOM 0 H LYS A 44 179.586 3.413 -13.750 1.00 0.00 H new ATOM 0 HA LYS A 44 177.812 2.720 -15.883 1.00 0.00 H new ATOM 0 HB2 LYS A 44 179.489 1.011 -16.377 1.00 0.00 H new ATOM 0 HB3 LYS A 44 180.266 2.548 -16.055 1.00 0.00 H new ATOM 0 HG2 LYS A 44 180.502 1.637 -13.601 1.00 0.00 H new ATOM 0 HG3 LYS A 44 180.197 0.072 -14.328 1.00 0.00 H new ATOM 0 HD2 LYS A 44 182.284 1.888 -15.538 1.00 0.00 H new ATOM 0 HD3 LYS A 44 182.669 0.979 -14.090 1.00 0.00 H new ATOM 0 HE2 LYS A 44 181.985 -1.130 -15.265 1.00 0.00 H new ATOM 0 HE3 LYS A 44 181.682 -0.200 -16.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 183.866 -1.217 -16.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 184.016 0.474 -16.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 184.309 -0.428 -15.332 1.00 0.00 H new ATOM 714 N HIS A 45 177.755 0.912 -13.144 1.00 0.00 N ATOM 715 CA HIS A 45 177.025 -0.137 -12.437 1.00 0.00 C ATOM 716 C HIS A 45 176.117 0.463 -11.359 1.00 0.00 C ATOM 717 O HIS A 45 176.548 0.681 -10.224 1.00 0.00 O ATOM 718 CB HIS A 45 178.008 -1.131 -11.808 1.00 0.00 C ATOM 719 CG HIS A 45 177.554 -2.560 -11.868 1.00 0.00 C ATOM 720 ND1 HIS A 45 178.415 -3.629 -11.724 1.00 0.00 N ATOM 721 CD2 HIS A 45 176.322 -3.098 -12.050 1.00 0.00 C ATOM 722 CE1 HIS A 45 177.735 -4.758 -11.815 1.00 0.00 C ATOM 723 NE2 HIS A 45 176.464 -4.463 -12.012 1.00 0.00 N ATOM 0 H HIS A 45 178.424 1.420 -12.566 1.00 0.00 H new ATOM 0 HA HIS A 45 176.399 -0.664 -13.157 1.00 0.00 H new ATOM 0 HB2 HIS A 45 178.970 -1.045 -12.314 1.00 0.00 H new ATOM 0 HB3 HIS A 45 178.170 -0.856 -10.766 1.00 0.00 H new ATOM 0 HD2 HIS A 45 175.401 -2.554 -12.197 1.00 0.00 H new ATOM 0 HE1 HIS A 45 178.149 -5.753 -11.741 1.00 0.00 H new ATOM 0 HE2 HIS A 45 175.709 -5.140 -12.119 1.00 0.00 H new ATOM 732 N PRO A 46 174.844 0.744 -11.704 1.00 0.00 N ATOM 733 CA PRO A 46 173.876 1.325 -10.762 1.00 0.00 C ATOM 734 C PRO A 46 173.507 0.363 -9.632 1.00 0.00 C ATOM 735 O PRO A 46 173.140 -0.788 -9.881 1.00 0.00 O ATOM 736 CB PRO A 46 172.655 1.623 -11.640 1.00 0.00 C ATOM 737 CG PRO A 46 172.778 0.688 -12.793 1.00 0.00 C ATOM 738 CD PRO A 46 174.251 0.520 -13.036 1.00 0.00 C ATOM 0 HA PRO A 46 174.278 2.205 -10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 46 171.726 1.458 -11.094 1.00 0.00 H new ATOM 0 HB3 PRO A 46 172.650 2.661 -11.972 1.00 0.00 H new ATOM 0 HG2 PRO A 46 172.308 -0.270 -12.570 1.00 0.00 H new ATOM 0 HG3 PRO A 46 172.280 1.090 -13.676 1.00 0.00 H new ATOM 0 HD2 PRO A 46 174.485 -0.474 -13.418 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.622 1.238 -13.767 1.00 0.00 H new ATOM 746 N MET A 47 173.615 0.841 -8.390 1.00 0.00 N ATOM 747 CA MET A 47 173.300 0.021 -7.220 1.00 0.00 C ATOM 748 C MET A 47 172.971 0.889 -6.002 1.00 0.00 C ATOM 749 O MET A 47 173.617 1.911 -5.768 1.00 0.00 O ATOM 750 CB MET A 47 174.478 -0.905 -6.898 1.00 0.00 C ATOM 751 CG MET A 47 174.226 -2.360 -7.262 1.00 0.00 C ATOM 752 SD MET A 47 174.115 -3.427 -5.814 1.00 0.00 S ATOM 753 CE MET A 47 172.340 -3.580 -5.639 1.00 0.00 C ATOM 0 H MET A 47 173.918 1.790 -8.170 1.00 0.00 H new ATOM 0 HA MET A 47 172.420 -0.578 -7.455 1.00 0.00 H new ATOM 0 HB2 MET A 47 175.362 -0.554 -7.431 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.701 -0.839 -5.833 1.00 0.00 H new ATOM 0 HG2 MET A 47 173.301 -2.433 -7.834 1.00 0.00 H new ATOM 0 HG3 MET A 47 175.029 -2.713 -7.909 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.107 -4.480 -5.070 1.00 0.00 H new ATOM 0 HE2 MET A 47 171.950 -2.708 -5.115 1.00 0.00 H new ATOM 0 HE3 MET A 47 171.881 -3.646 -6.626 1.00 0.00 H new ATOM 763 N ASP A 48 171.966 0.471 -5.228 1.00 0.00 N ATOM 764 CA ASP A 48 171.555 1.209 -4.030 1.00 0.00 C ATOM 765 C ASP A 48 171.093 0.259 -2.924 1.00 0.00 C ATOM 766 O ASP A 48 170.808 -0.913 -3.180 1.00 0.00 O ATOM 767 CB ASP A 48 170.430 2.192 -4.367 1.00 0.00 C ATOM 768 CG ASP A 48 170.950 3.500 -4.931 1.00 0.00 C ATOM 769 OD1 ASP A 48 171.336 4.378 -4.132 1.00 0.00 O ATOM 770 OD2 ASP A 48 170.967 3.648 -6.171 1.00 0.00 O ATOM 0 H ASP A 48 171.423 -0.373 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 48 172.422 1.763 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.754 1.732 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.847 2.394 -3.468 1.00 0.00 H new ATOM 775 N MET A 49 171.011 0.776 -1.693 1.00 0.00 N ATOM 776 CA MET A 49 170.572 -0.025 -0.545 1.00 0.00 C ATOM 777 C MET A 49 169.176 -0.598 -0.782 1.00 0.00 C ATOM 778 O MET A 49 168.885 -1.728 -0.383 1.00 0.00 O ATOM 779 CB MET A 49 170.576 0.817 0.733 1.00 0.00 C ATOM 780 CG MET A 49 171.891 0.766 1.493 1.00 0.00 C ATOM 781 SD MET A 49 171.720 1.294 3.208 1.00 0.00 S ATOM 782 CE MET A 49 172.865 2.670 3.255 1.00 0.00 C ATOM 0 H MET A 49 171.242 1.743 -1.466 1.00 0.00 H new ATOM 0 HA MET A 49 171.273 -0.851 -0.427 1.00 0.00 H new ATOM 0 HB2 MET A 49 170.355 1.853 0.476 1.00 0.00 H new ATOM 0 HB3 MET A 49 169.775 0.473 1.387 1.00 0.00 H new ATOM 0 HG2 MET A 49 172.282 -0.251 1.467 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.621 1.402 0.992 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.756 2.383 3.814 1.00 0.00 H new ATOM 0 HE2 MET A 49 173.147 2.943 2.238 1.00 0.00 H new ATOM 0 HE3 MET A 49 172.390 3.522 3.741 1.00 0.00 H new ATOM 792 N SER A 50 168.321 0.185 -1.442 1.00 0.00 N ATOM 793 CA SER A 50 166.961 -0.247 -1.748 1.00 0.00 C ATOM 794 C SER A 50 166.978 -1.483 -2.649 1.00 0.00 C ATOM 795 O SER A 50 166.120 -2.357 -2.529 1.00 0.00 O ATOM 796 CB SER A 50 166.181 0.888 -2.422 1.00 0.00 C ATOM 797 OG SER A 50 164.973 0.419 -3.003 1.00 0.00 O ATOM 0 H SER A 50 168.549 1.122 -1.774 1.00 0.00 H new ATOM 0 HA SER A 50 166.465 -0.508 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 50 165.956 1.662 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.800 1.349 -3.191 1.00 0.00 H new ATOM 0 HG SER A 50 164.500 1.168 -3.423 1.00 0.00 H new ATOM 803 N THR A 51 167.966 -1.547 -3.546 1.00 0.00 N ATOM 804 CA THR A 51 168.104 -2.675 -4.467 1.00 0.00 C ATOM 805 C THR A 51 168.636 -3.917 -3.745 1.00 0.00 C ATOM 806 O THR A 51 168.235 -5.041 -4.052 1.00 0.00 O ATOM 807 CB THR A 51 169.032 -2.310 -5.634 1.00 0.00 C ATOM 808 OG1 THR A 51 168.964 -0.923 -5.926 1.00 0.00 O ATOM 809 CG2 THR A 51 168.710 -3.062 -6.907 1.00 0.00 C ATOM 0 H THR A 51 168.682 -0.829 -3.653 1.00 0.00 H new ATOM 0 HA THR A 51 167.114 -2.904 -4.860 1.00 0.00 H new ATOM 0 HB THR A 51 170.032 -2.590 -5.303 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.565 -0.716 -6.672 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.401 -2.759 -7.693 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.807 -4.133 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.689 -2.836 -7.215 1.00 0.00 H new ATOM 817 N ILE A 52 169.540 -3.710 -2.786 1.00 0.00 N ATOM 818 CA ILE A 52 170.116 -4.817 -2.026 1.00 0.00 C ATOM 819 C ILE A 52 169.064 -5.459 -1.117 1.00 0.00 C ATOM 820 O ILE A 52 168.959 -6.685 -1.045 1.00 0.00 O ATOM 821 CB ILE A 52 171.323 -4.360 -1.173 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.342 -3.602 -2.034 1.00 0.00 C ATOM 823 CG2 ILE A 52 171.983 -5.558 -0.508 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.064 -2.496 -1.294 1.00 0.00 C ATOM 0 H ILE A 52 169.887 -2.789 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 52 170.465 -5.552 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 52 170.959 -3.685 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.077 -4.309 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.829 -3.175 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 52 172.831 -5.222 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.261 -6.060 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.331 -6.253 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 52 173.767 -2.006 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 52 172.339 -1.766 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 52 173.606 -2.918 -0.448 1.00 0.00 H new ATOM 836 N LYS A 53 168.282 -4.624 -0.429 1.00 0.00 N ATOM 837 CA LYS A 53 167.236 -5.118 0.468 1.00 0.00 C ATOM 838 C LYS A 53 166.177 -5.908 -0.300 1.00 0.00 C ATOM 839 O LYS A 53 165.773 -6.986 0.134 1.00 0.00 O ATOM 840 CB LYS A 53 166.576 -3.958 1.219 1.00 0.00 C ATOM 841 CG LYS A 53 166.142 -4.311 2.634 1.00 0.00 C ATOM 842 CD LYS A 53 164.722 -3.845 2.910 1.00 0.00 C ATOM 843 CE LYS A 53 164.354 -4.000 4.377 1.00 0.00 C ATOM 844 NZ LYS A 53 162.878 -3.996 4.584 1.00 0.00 N ATOM 0 H LYS A 53 168.353 -3.608 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 53 167.708 -5.785 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.273 -3.121 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 53 165.706 -3.621 0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 53 166.207 -5.389 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 53 166.823 -3.852 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 53 164.619 -2.800 2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 53 164.026 -4.418 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 53 164.772 -4.931 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 53 164.803 -3.190 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 162.670 -4.070 5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 162.478 -3.111 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 162.455 -4.804 4.085 1.00 0.00 H new ATOM 858 N SER A 54 165.733 -5.370 -1.442 1.00 0.00 N ATOM 859 CA SER A 54 164.721 -6.036 -2.264 1.00 0.00 C ATOM 860 C SER A 54 165.186 -7.432 -2.675 1.00 0.00 C ATOM 861 O SER A 54 164.395 -8.377 -2.683 1.00 0.00 O ATOM 862 CB SER A 54 164.397 -5.199 -3.507 1.00 0.00 C ATOM 863 OG SER A 54 165.556 -4.573 -4.028 1.00 0.00 O ATOM 0 H SER A 54 166.058 -4.478 -1.815 1.00 0.00 H new ATOM 0 HA SER A 54 163.816 -6.137 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 54 163.952 -5.837 -4.271 1.00 0.00 H new ATOM 0 HB3 SER A 54 163.656 -4.441 -3.254 1.00 0.00 H new ATOM 0 HG SER A 54 165.709 -3.726 -3.559 1.00 0.00 H new ATOM 869 N LYS A 55 166.478 -7.564 -2.996 1.00 0.00 N ATOM 870 CA LYS A 55 167.040 -8.857 -3.382 1.00 0.00 C ATOM 871 C LYS A 55 166.874 -9.856 -2.238 1.00 0.00 C ATOM 872 O LYS A 55 166.394 -10.971 -2.441 1.00 0.00 O ATOM 873 CB LYS A 55 168.521 -8.713 -3.750 1.00 0.00 C ATOM 874 CG LYS A 55 169.065 -9.878 -4.563 1.00 0.00 C ATOM 875 CD LYS A 55 170.447 -9.576 -5.120 1.00 0.00 C ATOM 876 CE LYS A 55 171.010 -10.761 -5.894 1.00 0.00 C ATOM 877 NZ LYS A 55 170.821 -10.613 -7.366 1.00 0.00 N ATOM 0 H LYS A 55 167.148 -6.795 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 55 166.504 -9.225 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.658 -7.791 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 55 169.106 -8.615 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 55 169.111 -10.769 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 55 168.382 -10.100 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 55 170.394 -8.705 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 55 171.122 -9.321 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 55 172.073 -10.865 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 55 170.524 -11.677 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 171.219 -11.442 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 169.806 -10.540 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 171.306 -9.753 -7.694 1.00 0.00 H new ATOM 891 N LEU A 56 167.254 -9.435 -1.031 1.00 0.00 N ATOM 892 CA LEU A 56 167.127 -10.278 0.155 1.00 0.00 C ATOM 893 C LEU A 56 165.648 -10.552 0.458 1.00 0.00 C ATOM 894 O LEU A 56 165.291 -11.646 0.899 1.00 0.00 O ATOM 895 CB LEU A 56 167.812 -9.603 1.353 1.00 0.00 C ATOM 896 CG LEU A 56 167.527 -10.225 2.727 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.782 -10.880 3.289 1.00 0.00 C ATOM 898 CD2 LEU A 56 166.996 -9.173 3.693 1.00 0.00 C ATOM 0 H LEU A 56 167.653 -8.514 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 56 167.618 -11.233 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 56 168.889 -9.617 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.507 -8.557 1.379 1.00 0.00 H new ATOM 0 HG LEU A 56 166.764 -10.993 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.560 -11.315 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 56 169.119 -11.663 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.566 -10.131 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 56 166.800 -9.634 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 56 167.736 -8.381 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 56 166.072 -8.750 3.299 1.00 0.00 H new ATOM 910 N GLU A 57 164.793 -9.553 0.203 1.00 0.00 N ATOM 911 CA GLU A 57 163.352 -9.684 0.435 1.00 0.00 C ATOM 912 C GLU A 57 162.742 -10.766 -0.458 1.00 0.00 C ATOM 913 O GLU A 57 161.847 -11.498 -0.033 1.00 0.00 O ATOM 914 CB GLU A 57 162.640 -8.349 0.186 1.00 0.00 C ATOM 915 CG GLU A 57 163.005 -7.269 1.194 1.00 0.00 C ATOM 916 CD GLU A 57 161.792 -6.566 1.777 1.00 0.00 C ATOM 917 OE1 GLU A 57 160.977 -6.036 0.992 1.00 0.00 O ATOM 918 OE2 GLU A 57 161.662 -6.539 3.020 1.00 0.00 O ATOM 0 H GLU A 57 165.077 -8.645 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 57 163.214 -9.975 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 57 162.885 -7.997 -0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.562 -8.511 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 57 163.583 -7.716 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 57 163.648 -6.532 0.712 1.00 0.00 H new ATOM 925 N ALA A 58 163.231 -10.864 -1.698 1.00 0.00 N ATOM 926 CA ALA A 58 162.730 -11.861 -2.649 1.00 0.00 C ATOM 927 C ALA A 58 163.476 -13.201 -2.535 1.00 0.00 C ATOM 928 O ALA A 58 163.383 -14.040 -3.433 1.00 0.00 O ATOM 929 CB ALA A 58 162.827 -11.324 -4.072 1.00 0.00 C ATOM 0 H ALA A 58 163.971 -10.267 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 58 161.685 -12.050 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 58 162.452 -12.073 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 58 162.231 -10.416 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.868 -11.099 -4.306 1.00 0.00 H new ATOM 935 N ARG A 59 164.217 -13.397 -1.437 1.00 0.00 N ATOM 936 CA ARG A 59 164.979 -14.631 -1.216 1.00 0.00 C ATOM 937 C ARG A 59 166.029 -14.851 -2.314 1.00 0.00 C ATOM 938 O ARG A 59 166.413 -15.988 -2.595 1.00 0.00 O ATOM 939 CB ARG A 59 164.040 -15.846 -1.131 1.00 0.00 C ATOM 940 CG ARG A 59 164.614 -17.006 -0.323 1.00 0.00 C ATOM 941 CD ARG A 59 163.642 -17.495 0.745 1.00 0.00 C ATOM 942 NE ARG A 59 163.542 -18.954 0.772 1.00 0.00 N ATOM 943 CZ ARG A 59 162.819 -19.671 -0.094 1.00 0.00 C ATOM 944 NH1 ARG A 59 162.142 -19.069 -1.070 1.00 0.00 N ATOM 945 NH2 ARG A 59 162.776 -20.994 0.013 1.00 0.00 N ATOM 0 H ARG A 59 164.305 -12.713 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 59 165.502 -14.523 -0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 59 163.096 -15.535 -0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 59 163.816 -16.193 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.859 -17.829 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 59 165.545 -16.693 0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 59 163.967 -17.136 1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 59 162.656 -17.068 0.560 1.00 0.00 H new ATOM 0 HE ARG A 59 164.056 -19.455 1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 59 162.173 -18.054 -1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 59 161.593 -19.623 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 59 163.295 -21.463 0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 59 162.224 -21.541 -0.648 1.00 0.00 H new ATOM 959 N GLU A 60 166.503 -13.758 -2.919 1.00 0.00 N ATOM 960 CA GLU A 60 167.520 -13.842 -3.967 1.00 0.00 C ATOM 961 C GLU A 60 168.911 -13.999 -3.357 1.00 0.00 C ATOM 962 O GLU A 60 169.770 -14.683 -3.916 1.00 0.00 O ATOM 963 CB GLU A 60 167.484 -12.601 -4.861 1.00 0.00 C ATOM 964 CG GLU A 60 166.343 -12.595 -5.865 1.00 0.00 C ATOM 965 CD GLU A 60 166.784 -12.122 -7.237 1.00 0.00 C ATOM 966 OE1 GLU A 60 167.470 -12.895 -7.939 1.00 0.00 O ATOM 967 OE2 GLU A 60 166.449 -10.978 -7.606 1.00 0.00 O ATOM 0 H GLU A 60 166.199 -12.809 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 60 167.300 -14.719 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.405 -11.715 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 60 168.429 -12.526 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 60 165.928 -13.600 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.545 -11.949 -5.500 1.00 0.00 H new ATOM 974 N TYR A 61 169.125 -13.363 -2.204 1.00 0.00 N ATOM 975 CA TYR A 61 170.408 -13.438 -1.514 1.00 0.00 C ATOM 976 C TYR A 61 170.546 -14.774 -0.785 1.00 0.00 C ATOM 977 O TYR A 61 170.100 -14.922 0.354 1.00 0.00 O ATOM 978 CB TYR A 61 170.555 -12.274 -0.528 1.00 0.00 C ATOM 979 CG TYR A 61 171.206 -11.048 -1.130 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.384 -11.152 -1.861 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.643 -9.786 -0.970 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.983 -10.037 -2.413 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.239 -8.668 -1.520 1.00 0.00 C ATOM 984 CZ TYR A 61 172.407 -8.798 -2.239 1.00 0.00 C ATOM 985 OH TYR A 61 173.000 -7.686 -2.788 1.00 0.00 O ATOM 0 H TYR A 61 168.425 -12.791 -1.731 1.00 0.00 H new ATOM 0 HA TYR A 61 171.203 -13.365 -2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.569 -12.003 -0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.145 -12.605 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.839 -12.122 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.727 -9.679 -0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.898 -10.136 -2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.791 -7.695 -1.387 1.00 0.00 H new ATOM 0 HH TYR A 61 172.311 -7.101 -3.166 1.00 0.00 H new ATOM 995 N ARG A 62 171.160 -15.747 -1.461 1.00 0.00 N ATOM 996 CA ARG A 62 171.357 -17.082 -0.894 1.00 0.00 C ATOM 997 C ARG A 62 172.296 -17.054 0.311 1.00 0.00 C ATOM 998 O ARG A 62 172.186 -17.895 1.205 1.00 0.00 O ATOM 999 CB ARG A 62 171.911 -18.035 -1.955 1.00 0.00 C ATOM 1000 CG ARG A 62 170.842 -18.641 -2.846 1.00 0.00 C ATOM 1001 CD ARG A 62 171.449 -19.529 -3.924 1.00 0.00 C ATOM 1002 NE ARG A 62 170.639 -20.721 -4.176 1.00 0.00 N ATOM 1003 CZ ARG A 62 169.431 -20.699 -4.749 1.00 0.00 C ATOM 1004 NH1 ARG A 62 168.889 -19.548 -5.143 1.00 0.00 N ATOM 1005 NH2 ARG A 62 168.763 -21.834 -4.933 1.00 0.00 N ATOM 0 H ARG A 62 171.530 -15.635 -2.405 1.00 0.00 H new ATOM 0 HA ARG A 62 170.384 -17.437 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 62 172.627 -17.497 -2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 62 172.458 -18.838 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 62 170.150 -19.225 -2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 62 170.262 -17.845 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.551 -18.959 -4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 62 172.452 -19.830 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 62 171.020 -21.625 -3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 62 169.396 -18.673 -5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 62 167.967 -19.541 -5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 62 169.172 -22.720 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 62 167.841 -21.818 -5.370 1.00 0.00 H new ATOM 1019 N ASP A 63 173.221 -16.091 0.329 1.00 0.00 N ATOM 1020 CA ASP A 63 174.174 -15.964 1.428 1.00 0.00 C ATOM 1021 C ASP A 63 174.763 -14.559 1.493 1.00 0.00 C ATOM 1022 O ASP A 63 174.519 -13.729 0.613 1.00 0.00 O ATOM 1023 CB ASP A 63 175.301 -16.994 1.279 1.00 0.00 C ATOM 1024 CG ASP A 63 175.075 -18.225 2.135 1.00 0.00 C ATOM 1025 OD1 ASP A 63 174.872 -18.069 3.359 1.00 0.00 O ATOM 1026 OD2 ASP A 63 175.099 -19.344 1.583 1.00 0.00 O ATOM 0 H ASP A 63 173.328 -15.390 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 63 173.635 -16.152 2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 63 175.382 -17.292 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 63 176.250 -16.533 1.554 1.00 0.00 H new ATOM 1031 N ALA A 64 175.553 -14.305 2.538 1.00 0.00 N ATOM 1032 CA ALA A 64 176.194 -13.004 2.724 1.00 0.00 C ATOM 1033 C ALA A 64 177.322 -12.771 1.708 1.00 0.00 C ATOM 1034 O ALA A 64 177.833 -11.654 1.597 1.00 0.00 O ATOM 1035 CB ALA A 64 176.729 -12.871 4.144 1.00 0.00 C ATOM 0 H ALA A 64 175.764 -14.985 3.269 1.00 0.00 H new ATOM 0 HA ALA A 64 175.435 -12.240 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.203 -11.897 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 64 175.906 -12.965 4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.461 -13.656 4.332 1.00 0.00 H new ATOM 1041 N GLN A 65 177.706 -13.820 0.965 1.00 0.00 N ATOM 1042 CA GLN A 65 178.769 -13.706 -0.035 1.00 0.00 C ATOM 1043 C GLN A 65 178.368 -12.727 -1.137 1.00 0.00 C ATOM 1044 O GLN A 65 179.141 -11.836 -1.496 1.00 0.00 O ATOM 1045 CB GLN A 65 179.082 -15.080 -0.645 1.00 0.00 C ATOM 1046 CG GLN A 65 180.186 -15.836 0.077 1.00 0.00 C ATOM 1047 CD GLN A 65 181.571 -15.337 -0.289 1.00 0.00 C ATOM 1048 OE1 GLN A 65 181.983 -15.411 -1.446 1.00 0.00 O ATOM 1049 NE2 GLN A 65 182.300 -14.824 0.697 1.00 0.00 N ATOM 0 H GLN A 65 177.296 -14.751 1.040 1.00 0.00 H new ATOM 0 HA GLN A 65 179.663 -13.328 0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.175 -15.685 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 65 179.368 -14.947 -1.688 1.00 0.00 H new ATOM 0 HG2 GLN A 65 180.042 -15.741 1.153 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.111 -16.897 -0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 65 181.921 -14.781 1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 65 183.239 -14.473 0.508 1.00 0.00 H new ATOM 1058 N GLU A 66 177.149 -12.884 -1.653 1.00 0.00 N ATOM 1059 CA GLU A 66 176.639 -12.000 -2.697 1.00 0.00 C ATOM 1060 C GLU A 66 176.299 -10.626 -2.119 1.00 0.00 C ATOM 1061 O GLU A 66 176.547 -9.599 -2.749 1.00 0.00 O ATOM 1062 CB GLU A 66 175.394 -12.605 -3.352 1.00 0.00 C ATOM 1063 CG GLU A 66 175.707 -13.585 -4.476 1.00 0.00 C ATOM 1064 CD GLU A 66 175.775 -15.032 -4.011 1.00 0.00 C ATOM 1065 OE1 GLU A 66 174.984 -15.415 -3.120 1.00 0.00 O ATOM 1066 OE2 GLU A 66 176.616 -15.784 -4.546 1.00 0.00 O ATOM 0 H GLU A 66 176.498 -13.615 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 66 177.417 -11.884 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 66 174.806 -13.116 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.774 -11.800 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 66 174.945 -13.495 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.659 -13.312 -4.932 1.00 0.00 H new ATOM 1073 N PHE A 67 175.732 -10.622 -0.911 1.00 0.00 N ATOM 1074 CA PHE A 67 175.354 -9.383 -0.236 1.00 0.00 C ATOM 1075 C PHE A 67 176.564 -8.474 -0.051 1.00 0.00 C ATOM 1076 O PHE A 67 176.541 -7.311 -0.456 1.00 0.00 O ATOM 1077 CB PHE A 67 174.718 -9.694 1.123 1.00 0.00 C ATOM 1078 CG PHE A 67 173.745 -8.650 1.598 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.191 -7.417 2.048 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.384 -8.907 1.601 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.297 -6.461 2.489 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.485 -7.955 2.043 1.00 0.00 C ATOM 1083 CZ PHE A 67 171.942 -6.730 2.488 1.00 0.00 C ATOM 0 H PHE A 67 175.525 -11.468 -0.380 1.00 0.00 H new ATOM 0 HA PHE A 67 174.626 -8.864 -0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.204 -10.653 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.508 -9.804 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.249 -7.202 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.021 -9.863 1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 67 173.657 -5.503 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.426 -8.169 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 67 171.242 -5.984 2.834 1.00 0.00 H new ATOM 1093 N GLY A 68 177.620 -9.016 0.557 1.00 0.00 N ATOM 1094 CA GLY A 68 178.833 -8.248 0.781 1.00 0.00 C ATOM 1095 C GLY A 68 179.455 -7.758 -0.512 1.00 0.00 C ATOM 1096 O GLY A 68 179.993 -6.651 -0.565 1.00 0.00 O ATOM 0 H GLY A 68 177.655 -9.976 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.606 -7.393 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.555 -8.863 1.318 1.00 0.00 H new ATOM 1100 N ALA A 69 179.373 -8.583 -1.561 1.00 0.00 N ATOM 1101 CA ALA A 69 179.924 -8.225 -2.867 1.00 0.00 C ATOM 1102 C ALA A 69 179.224 -6.992 -3.437 1.00 0.00 C ATOM 1103 O ALA A 69 179.868 -6.118 -4.018 1.00 0.00 O ATOM 1104 CB ALA A 69 179.810 -9.397 -3.835 1.00 0.00 C ATOM 0 H ALA A 69 178.931 -9.501 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 69 180.979 -7.985 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 69 180.225 -9.112 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.362 -10.250 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.761 -9.668 -3.956 1.00 0.00 H new ATOM 1110 N ASP A 70 177.903 -6.928 -3.260 1.00 0.00 N ATOM 1111 CA ASP A 70 177.115 -5.799 -3.752 1.00 0.00 C ATOM 1112 C ASP A 70 177.372 -4.540 -2.921 1.00 0.00 C ATOM 1113 O ASP A 70 177.416 -3.433 -3.463 1.00 0.00 O ATOM 1114 CB ASP A 70 175.621 -6.142 -3.747 1.00 0.00 C ATOM 1115 CG ASP A 70 175.221 -6.997 -4.936 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.463 -8.219 -4.899 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.665 -6.444 -5.906 1.00 0.00 O ATOM 0 H ASP A 70 177.358 -7.644 -2.780 1.00 0.00 H new ATOM 0 HA ASP A 70 177.426 -5.598 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.375 -6.668 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 70 175.039 -5.220 -3.753 1.00 0.00 H new ATOM 1122 N VAL A 71 177.546 -4.708 -1.607 1.00 0.00 N ATOM 1123 CA VAL A 71 177.801 -3.572 -0.719 1.00 0.00 C ATOM 1124 C VAL A 71 179.131 -2.893 -1.054 1.00 0.00 C ATOM 1125 O VAL A 71 179.191 -1.669 -1.182 1.00 0.00 O ATOM 1126 CB VAL A 71 177.814 -3.989 0.769 1.00 0.00 C ATOM 1127 CG1 VAL A 71 177.900 -2.760 1.662 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.586 -4.821 1.115 1.00 0.00 C ATOM 0 H VAL A 71 177.515 -5.613 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 71 176.982 -2.871 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 71 178.695 -4.607 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 71 177.908 -3.069 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 71 178.815 -2.211 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.038 -2.117 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.621 -5.101 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.685 -4.237 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.572 -5.721 0.501 1.00 0.00 H new ATOM 1138 N ARG A 72 180.195 -3.691 -1.196 1.00 0.00 N ATOM 1139 CA ARG A 72 181.519 -3.150 -1.516 1.00 0.00 C ATOM 1140 C ARG A 72 181.531 -2.499 -2.902 1.00 0.00 C ATOM 1141 O ARG A 72 182.242 -1.518 -3.126 1.00 0.00 O ATOM 1142 CB ARG A 72 182.595 -4.242 -1.429 1.00 0.00 C ATOM 1143 CG ARG A 72 182.396 -5.400 -2.400 1.00 0.00 C ATOM 1144 CD ARG A 72 183.725 -5.923 -2.927 1.00 0.00 C ATOM 1145 NE ARG A 72 184.635 -6.318 -1.849 1.00 0.00 N ATOM 1146 CZ ARG A 72 185.959 -6.441 -1.997 1.00 0.00 C ATOM 1147 NH1 ARG A 72 186.530 -6.228 -3.180 1.00 0.00 N ATOM 1148 NH2 ARG A 72 186.715 -6.785 -0.959 1.00 0.00 N ATOM 0 H ARG A 72 180.166 -4.706 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 72 181.747 -2.382 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 72 183.569 -3.791 -1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 72 182.615 -4.635 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 72 181.859 -6.206 -1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 72 181.776 -5.073 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 72 183.544 -6.778 -3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 72 184.200 -5.154 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 72 184.235 -6.511 -0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 72 185.957 -5.969 -3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 72 187.540 -6.324 -3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 72 186.286 -6.955 -0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 72 187.724 -6.879 -1.072 1.00 0.00 H new ATOM 1162 N LEU A 73 180.734 -3.045 -3.824 1.00 0.00 N ATOM 1163 CA LEU A 73 180.648 -2.513 -5.183 1.00 0.00 C ATOM 1164 C LEU A 73 180.027 -1.116 -5.181 1.00 0.00 C ATOM 1165 O LEU A 73 180.544 -0.196 -5.819 1.00 0.00 O ATOM 1166 CB LEU A 73 179.824 -3.452 -6.070 1.00 0.00 C ATOM 1167 CG LEU A 73 180.229 -3.477 -7.547 1.00 0.00 C ATOM 1168 CD1 LEU A 73 181.073 -4.708 -7.850 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.993 -3.439 -8.435 1.00 0.00 C ATOM 0 H LEU A 73 180.139 -3.856 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 73 181.659 -2.441 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 73 179.902 -4.464 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.775 -3.162 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 73 180.831 -2.593 -7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 73 181.351 -4.708 -8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.974 -4.691 -7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 73 180.499 -5.607 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 73 179.296 -3.457 -9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 73 178.366 -4.305 -8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 73 178.430 -2.527 -8.236 1.00 0.00 H new ATOM 1181 N MET A 74 178.914 -0.967 -4.457 1.00 0.00 N ATOM 1182 CA MET A 74 178.214 0.315 -4.365 1.00 0.00 C ATOM 1183 C MET A 74 179.121 1.400 -3.790 1.00 0.00 C ATOM 1184 O MET A 74 179.153 2.519 -4.300 1.00 0.00 O ATOM 1185 CB MET A 74 176.957 0.181 -3.503 1.00 0.00 C ATOM 1186 CG MET A 74 175.865 1.178 -3.859 1.00 0.00 C ATOM 1187 SD MET A 74 175.273 2.107 -2.431 1.00 0.00 S ATOM 1188 CE MET A 74 174.410 0.826 -1.525 1.00 0.00 C ATOM 0 H MET A 74 178.479 -1.721 -3.925 1.00 0.00 H new ATOM 0 HA MET A 74 177.925 0.606 -5.375 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.562 -0.830 -3.606 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.229 0.312 -2.456 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.245 1.874 -4.607 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.029 0.647 -4.313 1.00 0.00 H new ATOM 0 HE1 MET A 74 173.706 1.283 -0.830 1.00 0.00 H new ATOM 0 HE2 MET A 74 173.868 0.188 -2.224 1.00 0.00 H new ATOM 0 HE3 MET A 74 175.130 0.225 -0.969 1.00 0.00 H new ATOM 1198 N PHE A 75 179.856 1.063 -2.727 1.00 0.00 N ATOM 1199 CA PHE A 75 180.764 2.014 -2.087 1.00 0.00 C ATOM 1200 C PHE A 75 181.800 2.539 -3.082 1.00 0.00 C ATOM 1201 O PHE A 75 182.099 3.734 -3.101 1.00 0.00 O ATOM 1202 CB PHE A 75 181.470 1.365 -0.892 1.00 0.00 C ATOM 1203 CG PHE A 75 180.743 1.547 0.413 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.365 2.810 0.844 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.439 0.453 1.207 1.00 0.00 C ATOM 1206 CE1 PHE A 75 179.696 2.976 2.041 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.770 0.614 2.405 1.00 0.00 C ATOM 1208 CZ PHE A 75 179.398 1.877 2.822 1.00 0.00 C ATOM 0 H PHE A 75 179.839 0.140 -2.293 1.00 0.00 H new ATOM 0 HA PHE A 75 180.169 2.855 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.588 0.299 -1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.472 1.785 -0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 75 180.596 3.673 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 75 180.728 -0.537 0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 75 179.406 3.964 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 75 179.538 -0.247 3.015 1.00 0.00 H new ATOM 0 HZ PHE A 75 178.875 2.005 3.758 1.00 0.00 H new ATOM 1218 N SER A 76 182.340 1.639 -3.911 1.00 0.00 N ATOM 1219 CA SER A 76 183.339 2.017 -4.911 1.00 0.00 C ATOM 1220 C SER A 76 182.781 3.067 -5.870 1.00 0.00 C ATOM 1221 O SER A 76 183.447 4.059 -6.171 1.00 0.00 O ATOM 1222 CB SER A 76 183.812 0.791 -5.701 1.00 0.00 C ATOM 1223 OG SER A 76 185.204 0.857 -5.961 1.00 0.00 O ATOM 0 H SER A 76 182.102 0.647 -3.908 1.00 0.00 H new ATOM 0 HA SER A 76 184.191 2.444 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 76 183.586 -0.116 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.266 0.728 -6.642 1.00 0.00 H new ATOM 0 HG SER A 76 185.481 0.063 -6.464 1.00 0.00 H new ATOM 1229 N ASN A 77 181.555 2.846 -6.345 1.00 0.00 N ATOM 1230 CA ASN A 77 180.911 3.779 -7.268 1.00 0.00 C ATOM 1231 C ASN A 77 180.436 5.035 -6.539 1.00 0.00 C ATOM 1232 O ASN A 77 180.447 6.129 -7.106 1.00 0.00 O ATOM 1233 CB ASN A 77 179.735 3.106 -7.982 1.00 0.00 C ATOM 1234 CG ASN A 77 180.183 2.254 -9.159 1.00 0.00 C ATOM 1235 OD1 ASN A 77 181.377 2.137 -9.437 1.00 0.00 O ATOM 1236 ND2 ASN A 77 179.227 1.653 -9.861 1.00 0.00 N ATOM 0 H ASN A 77 180.990 2.031 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 77 181.650 4.075 -8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.191 2.483 -7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 77 179.041 3.870 -8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 77 179.472 1.070 -10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 77 178.249 1.775 -9.599 1.00 0.00 H new ATOM 1243 N CYS A 78 180.027 4.875 -5.278 1.00 0.00 N ATOM 1244 CA CYS A 78 179.558 6.001 -4.470 1.00 0.00 C ATOM 1245 C CYS A 78 180.638 7.074 -4.348 1.00 0.00 C ATOM 1246 O CYS A 78 180.343 8.268 -4.397 1.00 0.00 O ATOM 1247 CB CYS A 78 179.133 5.527 -3.076 1.00 0.00 C ATOM 1248 SG CYS A 78 177.405 5.875 -2.673 1.00 0.00 S ATOM 0 H CYS A 78 180.012 3.977 -4.795 1.00 0.00 H new ATOM 0 HA CYS A 78 178.694 6.434 -4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 78 179.303 4.453 -3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.771 6.003 -2.332 1.00 0.00 H new ATOM 0 HG CYS A 78 177.141 5.436 -1.478 1.00 0.00 H new ATOM 1254 N TYR A 79 181.889 6.641 -4.196 1.00 0.00 N ATOM 1255 CA TYR A 79 183.014 7.568 -4.075 1.00 0.00 C ATOM 1256 C TYR A 79 183.205 8.378 -5.360 1.00 0.00 C ATOM 1257 O TYR A 79 183.624 9.535 -5.314 1.00 0.00 O ATOM 1258 CB TYR A 79 184.300 6.809 -3.738 1.00 0.00 C ATOM 1259 CG TYR A 79 185.237 7.571 -2.826 1.00 0.00 C ATOM 1260 CD1 TYR A 79 186.061 8.575 -3.323 1.00 0.00 C ATOM 1261 CD2 TYR A 79 185.301 7.284 -1.468 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.921 9.270 -2.494 1.00 0.00 C ATOM 1263 CE2 TYR A 79 186.158 7.976 -0.631 1.00 0.00 C ATOM 1264 CZ TYR A 79 186.965 8.967 -1.149 1.00 0.00 C ATOM 1265 OH TYR A 79 187.822 9.655 -0.319 1.00 0.00 O ATOM 0 H TYR A 79 182.149 5.656 -4.154 1.00 0.00 H new ATOM 0 HA TYR A 79 182.788 8.261 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.039 5.862 -3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.823 6.570 -4.664 1.00 0.00 H new ATOM 0 HD1 TYR A 79 186.028 8.816 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 79 184.671 6.508 -1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 79 187.555 10.046 -2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 79 186.195 7.741 0.423 1.00 0.00 H new ATOM 0 HH TYR A 79 187.729 9.320 0.597 1.00 0.00 H new ATOM 1275 N LYS A 80 182.887 7.766 -6.504 1.00 0.00 N ATOM 1276 CA LYS A 80 183.015 8.437 -7.797 1.00 0.00 C ATOM 1277 C LYS A 80 181.999 9.574 -7.922 1.00 0.00 C ATOM 1278 O LYS A 80 182.296 10.619 -8.501 1.00 0.00 O ATOM 1279 CB LYS A 80 182.829 7.431 -8.941 1.00 0.00 C ATOM 1280 CG LYS A 80 183.168 7.990 -10.317 1.00 0.00 C ATOM 1281 CD LYS A 80 183.151 6.903 -11.384 1.00 0.00 C ATOM 1282 CE LYS A 80 183.622 7.431 -12.733 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.476 6.444 -13.455 1.00 0.00 N ATOM 0 H LYS A 80 182.540 6.809 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 80 184.016 8.863 -7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.454 6.559 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 80 181.795 7.087 -8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 80 182.453 8.770 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.153 8.457 -10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 80 183.791 6.077 -11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.141 6.504 -11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 80 182.756 7.678 -13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 80 184.182 8.354 -12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 184.774 6.845 -14.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.316 6.227 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 183.934 5.572 -13.620 1.00 0.00 H new ATOM 1297 N TYR A 81 180.800 9.364 -7.372 1.00 0.00 N ATOM 1298 CA TYR A 81 179.743 10.374 -7.418 1.00 0.00 C ATOM 1299 C TYR A 81 179.920 11.416 -6.311 1.00 0.00 C ATOM 1300 O TYR A 81 179.666 12.602 -6.526 1.00 0.00 O ATOM 1301 CB TYR A 81 178.365 9.714 -7.296 1.00 0.00 C ATOM 1302 CG TYR A 81 177.211 10.652 -7.582 1.00 0.00 C ATOM 1303 CD1 TYR A 81 176.938 11.074 -8.878 1.00 0.00 C ATOM 1304 CD2 TYR A 81 176.392 11.112 -6.557 1.00 0.00 C ATOM 1305 CE1 TYR A 81 175.884 11.926 -9.144 1.00 0.00 C ATOM 1306 CE2 TYR A 81 175.336 11.966 -6.816 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.086 12.370 -8.110 1.00 0.00 C ATOM 1308 OH TYR A 81 174.034 13.218 -8.372 1.00 0.00 O ATOM 0 H TYR A 81 180.539 8.504 -6.890 1.00 0.00 H new ATOM 0 HA TYR A 81 179.813 10.882 -8.380 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.314 8.870 -7.984 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.253 9.311 -6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.561 10.730 -9.691 1.00 0.00 H new ATOM 0 HD2 TYR A 81 176.584 10.797 -5.542 1.00 0.00 H new ATOM 0 HE1 TYR A 81 175.685 12.243 -10.157 1.00 0.00 H new ATOM 0 HE2 TYR A 81 174.710 12.315 -6.008 1.00 0.00 H new ATOM 0 HH TYR A 81 173.572 13.435 -7.535 1.00 0.00 H new ATOM 1318 N ASN A 82 180.348 10.966 -5.127 1.00 0.00 N ATOM 1319 CA ASN A 82 180.550 11.863 -3.985 1.00 0.00 C ATOM 1320 C ASN A 82 181.651 12.887 -4.273 1.00 0.00 C ATOM 1321 O ASN A 82 182.828 12.532 -4.370 1.00 0.00 O ATOM 1322 CB ASN A 82 180.904 11.057 -2.730 1.00 0.00 C ATOM 1323 CG ASN A 82 179.677 10.513 -2.016 1.00 0.00 C ATOM 1324 OD1 ASN A 82 178.545 10.720 -2.454 1.00 0.00 O ATOM 1325 ND2 ASN A 82 179.894 9.810 -0.908 1.00 0.00 N ATOM 0 H ASN A 82 180.561 9.987 -4.935 1.00 0.00 H new ATOM 0 HA ASN A 82 179.617 12.401 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.555 10.228 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.468 11.689 -2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 82 179.107 9.420 -0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 82 180.847 9.660 -0.577 1.00 0.00 H new ATOM 1332 N PRO A 83 181.279 14.179 -4.415 1.00 0.00 N ATOM 1333 CA PRO A 83 182.236 15.261 -4.695 1.00 0.00 C ATOM 1334 C PRO A 83 183.229 15.474 -3.553 1.00 0.00 C ATOM 1335 O PRO A 83 182.882 15.308 -2.384 1.00 0.00 O ATOM 1336 CB PRO A 83 181.348 16.504 -4.863 1.00 0.00 C ATOM 1337 CG PRO A 83 179.970 15.977 -5.079 1.00 0.00 C ATOM 1338 CD PRO A 83 179.900 14.689 -4.315 1.00 0.00 C ATOM 0 HA PRO A 83 182.847 15.036 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 83 181.392 17.141 -3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 83 181.675 17.109 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 83 179.221 16.684 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 83 179.776 15.814 -6.139 1.00 0.00 H new ATOM 0 HD2 PRO A 83 179.601 14.848 -3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 83 179.180 13.997 -4.752 1.00 0.00 H new ATOM 1346 N PRO A 84 184.484 15.850 -3.876 1.00 0.00 N ATOM 1347 CA PRO A 84 185.527 16.088 -2.865 1.00 0.00 C ATOM 1348 C PRO A 84 185.106 17.131 -1.828 1.00 0.00 C ATOM 1349 O PRO A 84 184.545 18.172 -2.178 1.00 0.00 O ATOM 1350 CB PRO A 84 186.718 16.597 -3.683 1.00 0.00 C ATOM 1351 CG PRO A 84 186.478 16.096 -5.064 1.00 0.00 C ATOM 1352 CD PRO A 84 184.986 16.074 -5.244 1.00 0.00 C ATOM 0 HA PRO A 84 185.745 15.187 -2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 84 186.775 17.685 -3.662 1.00 0.00 H new ATOM 0 HB3 PRO A 84 187.660 16.221 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 84 186.950 16.745 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 84 186.902 15.101 -5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 84 184.617 17.012 -5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 84 184.674 15.280 -5.922 1.00 0.00 H new ATOM 1360 N ASP A 85 185.380 16.836 -0.552 1.00 0.00 N ATOM 1361 CA ASP A 85 185.034 17.733 0.554 1.00 0.00 C ATOM 1362 C ASP A 85 183.521 17.974 0.618 1.00 0.00 C ATOM 1363 O ASP A 85 183.052 19.109 0.502 1.00 0.00 O ATOM 1364 CB ASP A 85 185.790 19.064 0.427 1.00 0.00 C ATOM 1365 CG ASP A 85 186.180 19.636 1.778 1.00 0.00 C ATOM 1366 OD1 ASP A 85 185.292 20.162 2.481 1.00 0.00 O ATOM 1367 OD2 ASP A 85 187.375 19.553 2.134 1.00 0.00 O ATOM 0 H ASP A 85 185.844 15.976 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 85 185.336 17.252 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 85 186.687 18.914 -0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 85 185.167 19.784 -0.104 1.00 0.00 H new ATOM 1372 N HIS A 86 182.761 16.892 0.799 1.00 0.00 N ATOM 1373 CA HIS A 86 181.305 16.973 0.874 1.00 0.00 C ATOM 1374 C HIS A 86 180.774 16.218 2.093 1.00 0.00 C ATOM 1375 O HIS A 86 181.390 15.254 2.554 1.00 0.00 O ATOM 1376 CB HIS A 86 180.684 16.404 -0.404 1.00 0.00 C ATOM 1377 CG HIS A 86 179.419 17.089 -0.823 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.402 18.267 -1.539 1.00 0.00 N ATOM 1379 CD2 HIS A 86 178.122 16.751 -0.629 1.00 0.00 C ATOM 1380 CE1 HIS A 86 178.150 18.624 -1.768 1.00 0.00 C ATOM 1381 NE2 HIS A 86 177.355 17.720 -1.226 1.00 0.00 N ATOM 0 H HIS A 86 183.133 15.947 0.896 1.00 0.00 H new ATOM 0 HA HIS A 86 181.027 18.022 0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 86 181.411 16.478 -1.213 1.00 0.00 H new ATOM 0 HB3 HIS A 86 180.479 15.344 -0.256 1.00 0.00 H new ATOM 0 HD2 HIS A 86 177.759 15.881 -0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 86 177.832 19.505 -2.306 1.00 0.00 H new ATOM 0 HE2 HIS A 86 176.335 17.739 -1.247 1.00 0.00 H new ATOM 1390 N GLU A 87 179.623 16.661 2.605 1.00 0.00 N ATOM 1391 CA GLU A 87 178.996 16.029 3.768 1.00 0.00 C ATOM 1392 C GLU A 87 178.715 14.547 3.507 1.00 0.00 C ATOM 1393 O GLU A 87 178.974 13.698 4.363 1.00 0.00 O ATOM 1394 CB GLU A 87 177.696 16.757 4.127 1.00 0.00 C ATOM 1395 CG GLU A 87 177.083 16.308 5.444 1.00 0.00 C ATOM 1396 CD GLU A 87 176.085 17.308 5.994 1.00 0.00 C ATOM 1397 OE1 GLU A 87 176.522 18.323 6.577 1.00 0.00 O ATOM 1398 OE2 GLU A 87 174.867 17.076 5.844 1.00 0.00 O ATOM 0 H GLU A 87 179.106 17.457 2.231 1.00 0.00 H new ATOM 0 HA GLU A 87 179.689 16.100 4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 87 177.892 17.828 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 87 176.971 16.601 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 87 176.588 15.347 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 87 177.876 16.152 6.175 1.00 0.00 H new ATOM 1405 N VAL A 88 178.190 14.245 2.317 1.00 0.00 N ATOM 1406 CA VAL A 88 177.877 12.866 1.936 1.00 0.00 C ATOM 1407 C VAL A 88 179.134 11.994 1.894 1.00 0.00 C ATOM 1408 O VAL A 88 179.075 10.798 2.185 1.00 0.00 O ATOM 1409 CB VAL A 88 177.166 12.795 0.565 1.00 0.00 C ATOM 1410 CG1 VAL A 88 175.816 13.496 0.629 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.036 13.388 -0.540 1.00 0.00 C ATOM 0 H VAL A 88 177.973 14.938 1.600 1.00 0.00 H new ATOM 0 HA VAL A 88 177.203 12.484 2.703 1.00 0.00 H new ATOM 0 HB VAL A 88 176.998 11.745 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 88 175.329 13.437 -0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.190 13.012 1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 88 175.962 14.542 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 88 177.509 13.324 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 88 178.250 14.433 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 88 178.971 12.832 -0.605 1.00 0.00 H new ATOM 1421 N VAL A 89 180.270 12.598 1.538 1.00 0.00 N ATOM 1422 CA VAL A 89 181.537 11.874 1.469 1.00 0.00 C ATOM 1423 C VAL A 89 181.931 11.344 2.845 1.00 0.00 C ATOM 1424 O VAL A 89 182.325 10.184 2.981 1.00 0.00 O ATOM 1425 CB VAL A 89 182.674 12.761 0.920 1.00 0.00 C ATOM 1426 CG1 VAL A 89 183.946 11.948 0.723 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.254 13.428 -0.382 1.00 0.00 C ATOM 0 H VAL A 89 180.336 13.586 1.294 1.00 0.00 H new ATOM 0 HA VAL A 89 181.389 11.039 0.784 1.00 0.00 H new ATOM 0 HB VAL A 89 182.880 13.542 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 89 184.734 12.594 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.260 11.526 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 89 183.756 11.142 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.070 14.049 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.015 12.664 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 89 181.376 14.050 -0.206 1.00 0.00 H new ATOM 1437 N ALA A 90 181.808 12.196 3.865 1.00 0.00 N ATOM 1438 CA ALA A 90 182.137 11.803 5.233 1.00 0.00 C ATOM 1439 C ALA A 90 181.287 10.614 5.669 1.00 0.00 C ATOM 1440 O ALA A 90 181.784 9.684 6.309 1.00 0.00 O ATOM 1441 CB ALA A 90 181.940 12.972 6.188 1.00 0.00 C ATOM 0 H ALA A 90 181.484 13.158 3.768 1.00 0.00 H new ATOM 0 HA ALA A 90 183.186 11.507 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 90 182.190 12.660 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 90 182.588 13.797 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 90 180.900 13.298 6.155 1.00 0.00 H new ATOM 1447 N MET A 91 180.004 10.648 5.305 1.00 0.00 N ATOM 1448 CA MET A 91 179.080 9.572 5.643 1.00 0.00 C ATOM 1449 C MET A 91 179.470 8.280 4.929 1.00 0.00 C ATOM 1450 O MET A 91 179.458 7.208 5.531 1.00 0.00 O ATOM 1451 CB MET A 91 177.646 9.959 5.271 1.00 0.00 C ATOM 1452 CG MET A 91 177.002 10.932 6.245 1.00 0.00 C ATOM 1453 SD MET A 91 175.920 12.117 5.424 1.00 0.00 S ATOM 1454 CE MET A 91 175.028 12.788 6.824 1.00 0.00 C ATOM 0 H MET A 91 179.584 11.412 4.775 1.00 0.00 H new ATOM 0 HA MET A 91 179.134 9.407 6.719 1.00 0.00 H new ATOM 0 HB2 MET A 91 177.646 10.402 4.275 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.038 9.056 5.218 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.429 10.374 6.985 1.00 0.00 H new ATOM 0 HG3 MET A 91 177.781 11.470 6.785 1.00 0.00 H new ATOM 0 HE1 MET A 91 173.957 12.663 6.666 1.00 0.00 H new ATOM 0 HE2 MET A 91 175.325 12.261 7.731 1.00 0.00 H new ATOM 0 HE3 MET A 91 175.259 13.848 6.928 1.00 0.00 H new ATOM 1464 N ALA A 92 179.820 8.390 3.644 1.00 0.00 N ATOM 1465 CA ALA A 92 180.216 7.226 2.852 1.00 0.00 C ATOM 1466 C ALA A 92 181.387 6.490 3.499 1.00 0.00 C ATOM 1467 O ALA A 92 181.356 5.266 3.641 1.00 0.00 O ATOM 1468 CB ALA A 92 180.570 7.640 1.430 1.00 0.00 C ATOM 0 H ALA A 92 179.837 9.272 3.132 1.00 0.00 H new ATOM 0 HA ALA A 92 179.367 6.543 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.862 6.760 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.704 8.108 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.398 8.349 1.453 1.00 0.00 H new ATOM 1474 N ARG A 93 182.417 7.242 3.895 1.00 0.00 N ATOM 1475 CA ARG A 93 183.595 6.655 4.533 1.00 0.00 C ATOM 1476 C ARG A 93 183.222 5.994 5.859 1.00 0.00 C ATOM 1477 O ARG A 93 183.590 4.846 6.111 1.00 0.00 O ATOM 1478 CB ARG A 93 184.675 7.718 4.759 1.00 0.00 C ATOM 1479 CG ARG A 93 185.275 8.268 3.472 1.00 0.00 C ATOM 1480 CD ARG A 93 185.565 9.756 3.584 1.00 0.00 C ATOM 1481 NE ARG A 93 186.732 10.029 4.423 1.00 0.00 N ATOM 1482 CZ ARG A 93 186.994 11.218 4.972 1.00 0.00 C ATOM 1483 NH1 ARG A 93 186.179 12.251 4.769 1.00 0.00 N ATOM 1484 NH2 ARG A 93 188.076 11.378 5.726 1.00 0.00 N ATOM 0 H ARG A 93 182.458 8.255 3.785 1.00 0.00 H new ATOM 0 HA ARG A 93 183.992 5.891 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.247 8.542 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.472 7.289 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 93 186.196 7.733 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 93 184.588 8.091 2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 93 185.731 10.168 2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 93 184.694 10.264 3.999 1.00 0.00 H new ATOM 0 HE ARG A 93 187.385 9.265 4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 93 185.347 12.138 4.190 1.00 0.00 H new ATOM 0 HH12 ARG A 93 186.387 13.155 5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 93 188.707 10.593 5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 93 188.276 12.286 6.145 1.00 0.00 H new ATOM 1498 N LYS A 94 182.481 6.719 6.700 1.00 0.00 N ATOM 1499 CA LYS A 94 182.053 6.192 7.996 1.00 0.00 C ATOM 1500 C LYS A 94 181.151 4.970 7.815 1.00 0.00 C ATOM 1501 O LYS A 94 181.282 3.982 8.539 1.00 0.00 O ATOM 1502 CB LYS A 94 181.320 7.270 8.798 1.00 0.00 C ATOM 1503 CG LYS A 94 181.418 7.088 10.306 1.00 0.00 C ATOM 1504 CD LYS A 94 180.889 8.308 11.046 1.00 0.00 C ATOM 1505 CE LYS A 94 181.021 8.161 12.558 1.00 0.00 C ATOM 1506 NZ LYS A 94 182.437 7.978 12.992 1.00 0.00 N ATOM 0 H LYS A 94 182.166 7.670 6.507 1.00 0.00 H new ATOM 0 HA LYS A 94 182.943 5.887 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 94 181.726 8.246 8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.269 7.272 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 94 180.853 6.205 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.456 6.912 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 94 181.433 9.194 10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 94 179.842 8.463 10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 94 180.607 9.045 13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.429 7.308 12.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 182.500 8.086 14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 182.763 7.028 12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 183.036 8.693 12.532 1.00 0.00 H new ATOM 1520 N LEU A 95 180.242 5.041 6.836 1.00 0.00 N ATOM 1521 CA LEU A 95 179.326 3.937 6.548 1.00 0.00 C ATOM 1522 C LEU A 95 180.098 2.700 6.091 1.00 0.00 C ATOM 1523 O LEU A 95 179.727 1.573 6.418 1.00 0.00 O ATOM 1524 CB LEU A 95 178.308 4.345 5.475 1.00 0.00 C ATOM 1525 CG LEU A 95 177.021 4.985 6.006 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.515 6.054 5.047 1.00 0.00 C ATOM 1527 CD2 LEU A 95 175.953 3.924 6.233 1.00 0.00 C ATOM 0 H LEU A 95 180.123 5.853 6.231 1.00 0.00 H new ATOM 0 HA LEU A 95 178.790 3.695 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.787 5.045 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.043 3.462 4.894 1.00 0.00 H new ATOM 0 HG LEU A 95 177.245 5.461 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.601 6.495 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.273 6.829 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.309 5.604 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.046 4.396 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 95 175.735 3.420 5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.312 3.196 6.960 1.00 0.00 H new ATOM 1539 N GLN A 96 181.179 2.920 5.339 1.00 0.00 N ATOM 1540 CA GLN A 96 182.009 1.824 4.849 1.00 0.00 C ATOM 1541 C GLN A 96 182.780 1.173 5.997 1.00 0.00 C ATOM 1542 O GLN A 96 182.851 -0.053 6.086 1.00 0.00 O ATOM 1543 CB GLN A 96 182.989 2.324 3.782 1.00 0.00 C ATOM 1544 CG GLN A 96 183.544 1.218 2.895 1.00 0.00 C ATOM 1545 CD GLN A 96 184.354 1.755 1.727 1.00 0.00 C ATOM 1546 OE1 GLN A 96 183.862 2.559 0.935 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.602 1.311 1.613 1.00 0.00 N ATOM 0 H GLN A 96 181.497 3.847 5.058 1.00 0.00 H new ATOM 0 HA GLN A 96 181.351 1.079 4.402 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.486 3.061 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.818 2.834 4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 96 184.171 0.558 3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 96 182.720 0.615 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 96 185.970 0.645 2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.191 1.637 0.847 1.00 0.00 H new ATOM 1556 N ASP A 97 183.355 2.002 6.874 1.00 0.00 N ATOM 1557 CA ASP A 97 184.121 1.506 8.019 1.00 0.00 C ATOM 1558 C ASP A 97 183.248 0.663 8.945 1.00 0.00 C ATOM 1559 O ASP A 97 183.648 -0.426 9.359 1.00 0.00 O ATOM 1560 CB ASP A 97 184.739 2.673 8.800 1.00 0.00 C ATOM 1561 CG ASP A 97 185.742 2.212 9.841 1.00 0.00 C ATOM 1562 OD1 ASP A 97 185.313 1.800 10.940 1.00 0.00 O ATOM 1563 OD2 ASP A 97 186.957 2.264 9.557 1.00 0.00 O ATOM 0 H ASP A 97 183.304 3.019 6.812 1.00 0.00 H new ATOM 0 HA ASP A 97 184.921 0.874 7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.230 3.352 8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 97 183.946 3.238 9.290 1.00 0.00 H new ATOM 1568 N VAL A 98 182.054 1.168 9.266 1.00 0.00 N ATOM 1569 CA VAL A 98 181.130 0.448 10.142 1.00 0.00 C ATOM 1570 C VAL A 98 180.665 -0.859 9.491 1.00 0.00 C ATOM 1571 O VAL A 98 180.607 -1.897 10.151 1.00 0.00 O ATOM 1572 CB VAL A 98 179.908 1.316 10.544 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.102 1.746 9.326 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.025 0.577 11.543 1.00 0.00 C ATOM 0 H VAL A 98 181.707 2.068 8.934 1.00 0.00 H new ATOM 0 HA VAL A 98 181.678 0.211 11.054 1.00 0.00 H new ATOM 0 HB VAL A 98 180.289 2.218 11.022 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.254 2.352 9.646 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.735 2.331 8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.739 0.863 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.175 1.204 11.811 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.666 -0.350 11.095 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.602 0.347 12.438 1.00 0.00 H new ATOM 1584 N PHE A 99 180.348 -0.808 8.193 1.00 0.00 N ATOM 1585 CA PHE A 99 179.904 -1.998 7.468 1.00 0.00 C ATOM 1586 C PHE A 99 181.022 -3.038 7.396 1.00 0.00 C ATOM 1587 O PHE A 99 180.815 -4.200 7.741 1.00 0.00 O ATOM 1588 CB PHE A 99 179.440 -1.636 6.051 1.00 0.00 C ATOM 1589 CG PHE A 99 177.982 -1.911 5.803 1.00 0.00 C ATOM 1590 CD1 PHE A 99 177.410 -3.114 6.190 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.182 -0.964 5.181 1.00 0.00 C ATOM 1592 CE1 PHE A 99 176.071 -3.366 5.963 1.00 0.00 C ATOM 1593 CE2 PHE A 99 175.842 -1.212 4.952 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.286 -2.414 5.344 1.00 0.00 C ATOM 0 H PHE A 99 180.391 0.040 7.628 1.00 0.00 H new ATOM 0 HA PHE A 99 179.062 -2.423 8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.637 -0.579 5.873 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.034 -2.197 5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 99 178.019 -3.863 6.675 1.00 0.00 H new ATOM 0 HD2 PHE A 99 177.611 -0.022 4.872 1.00 0.00 H new ATOM 0 HE1 PHE A 99 175.639 -4.307 6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.230 -0.466 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.239 -2.609 5.167 1.00 0.00 H new ATOM 1604 N GLU A 100 182.208 -2.610 6.950 1.00 0.00 N ATOM 1605 CA GLU A 100 183.360 -3.508 6.838 1.00 0.00 C ATOM 1606 C GLU A 100 183.707 -4.124 8.191 1.00 0.00 C ATOM 1607 O GLU A 100 183.926 -5.332 8.291 1.00 0.00 O ATOM 1608 CB GLU A 100 184.575 -2.762 6.272 1.00 0.00 C ATOM 1609 CG GLU A 100 185.291 -3.518 5.161 1.00 0.00 C ATOM 1610 CD GLU A 100 186.613 -4.111 5.610 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.594 -5.148 6.306 1.00 0.00 O ATOM 1612 OE2 GLU A 100 187.668 -3.540 5.262 1.00 0.00 O ATOM 0 H GLU A 100 182.394 -1.649 6.662 1.00 0.00 H new ATOM 0 HA GLU A 100 183.091 -4.311 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.251 -1.794 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.280 -2.567 7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.645 -4.317 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.467 -2.843 4.323 1.00 0.00 H new ATOM 1619 N MET A 101 183.749 -3.289 9.231 1.00 0.00 N ATOM 1620 CA MET A 101 184.063 -3.755 10.581 1.00 0.00 C ATOM 1621 C MET A 101 183.043 -4.793 11.049 1.00 0.00 C ATOM 1622 O MET A 101 183.413 -5.842 11.581 1.00 0.00 O ATOM 1623 CB MET A 101 184.100 -2.576 11.562 1.00 0.00 C ATOM 1624 CG MET A 101 185.490 -1.989 11.757 1.00 0.00 C ATOM 1625 SD MET A 101 185.902 -1.738 13.495 1.00 0.00 S ATOM 1626 CE MET A 101 187.190 -2.963 13.720 1.00 0.00 C ATOM 0 H MET A 101 183.569 -2.287 9.163 1.00 0.00 H new ATOM 0 HA MET A 101 185.047 -4.223 10.555 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.432 -1.794 11.202 1.00 0.00 H new ATOM 0 HB3 MET A 101 183.715 -2.905 12.527 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.227 -2.653 11.305 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.555 -1.036 11.231 1.00 0.00 H new ATOM 0 HE1 MET A 101 187.548 -2.930 14.749 1.00 0.00 H new ATOM 0 HE2 MET A 101 186.791 -3.954 13.506 1.00 0.00 H new ATOM 0 HE3 MET A 101 188.016 -2.751 13.042 1.00 0.00 H new ATOM 1636 N ARG A 102 181.758 -4.497 10.842 1.00 0.00 N ATOM 1637 CA ARG A 102 180.684 -5.408 11.237 1.00 0.00 C ATOM 1638 C ARG A 102 180.719 -6.687 10.397 1.00 0.00 C ATOM 1639 O ARG A 102 180.579 -7.789 10.929 1.00 0.00 O ATOM 1640 CB ARG A 102 179.317 -4.729 11.095 1.00 0.00 C ATOM 1641 CG ARG A 102 179.077 -3.604 12.092 1.00 0.00 C ATOM 1642 CD ARG A 102 178.651 -4.139 13.451 1.00 0.00 C ATOM 1643 NE ARG A 102 179.620 -3.813 14.497 1.00 0.00 N ATOM 1644 CZ ARG A 102 179.361 -3.876 15.807 1.00 0.00 C ATOM 1645 NH1 ARG A 102 178.163 -4.258 16.246 1.00 0.00 N ATOM 1646 NH2 ARG A 102 180.307 -3.556 16.684 1.00 0.00 N ATOM 0 H ARG A 102 181.437 -3.634 10.403 1.00 0.00 H new ATOM 0 HA ARG A 102 180.839 -5.672 12.283 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.224 -4.331 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.536 -5.480 11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 102 179.987 -3.015 12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.308 -2.934 11.707 1.00 0.00 H new ATOM 0 HD2 ARG A 102 177.679 -3.724 13.715 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.530 -5.221 13.393 1.00 0.00 H new ATOM 0 HE ARG A 102 180.553 -3.519 14.208 1.00 0.00 H new ATOM 0 HH11 ARG A 102 177.431 -4.506 15.580 1.00 0.00 H new ATOM 0 HH12 ARG A 102 177.977 -4.302 17.248 1.00 0.00 H new ATOM 0 HH21 ARG A 102 181.228 -3.263 16.357 1.00 0.00 H new ATOM 0 HH22 ARG A 102 180.112 -3.603 17.684 1.00 0.00 H new ATOM 1660 N PHE A 103 180.912 -6.530 9.084 1.00 0.00 N ATOM 1661 CA PHE A 103 180.972 -7.671 8.168 1.00 0.00 C ATOM 1662 C PHE A 103 182.117 -8.612 8.546 1.00 0.00 C ATOM 1663 O PHE A 103 181.957 -9.832 8.536 1.00 0.00 O ATOM 1664 CB PHE A 103 181.150 -7.193 6.722 1.00 0.00 C ATOM 1665 CG PHE A 103 180.037 -7.611 5.800 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.778 -7.038 5.903 1.00 0.00 C ATOM 1667 CD2 PHE A 103 180.251 -8.575 4.826 1.00 0.00 C ATOM 1668 CE1 PHE A 103 177.756 -7.419 5.054 1.00 0.00 C ATOM 1669 CE2 PHE A 103 179.232 -8.960 3.975 1.00 0.00 C ATOM 1670 CZ PHE A 103 177.983 -8.381 4.089 1.00 0.00 C ATOM 0 H PHE A 103 181.029 -5.623 8.632 1.00 0.00 H new ATOM 0 HA PHE A 103 180.031 -8.215 8.248 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.225 -6.106 6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.093 -7.579 6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.594 -6.285 6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 103 181.226 -9.030 4.731 1.00 0.00 H new ATOM 0 HE1 PHE A 103 176.780 -6.965 5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 103 179.412 -9.713 3.222 1.00 0.00 H new ATOM 0 HZ PHE A 103 177.185 -8.680 3.425 1.00 0.00 H new ATOM 1680 N ALA A 104 183.270 -8.031 8.883 1.00 0.00 N ATOM 1681 CA ALA A 104 184.443 -8.808 9.273 1.00 0.00 C ATOM 1682 C ALA A 104 184.199 -9.557 10.581 1.00 0.00 C ATOM 1683 O ALA A 104 184.720 -10.653 10.775 1.00 0.00 O ATOM 1684 CB ALA A 104 185.662 -7.903 9.403 1.00 0.00 C ATOM 0 H ALA A 104 183.414 -7.021 8.893 1.00 0.00 H new ATOM 0 HA ALA A 104 184.632 -9.544 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.528 -8.498 9.694 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.860 -7.419 8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.472 -7.143 10.161 1.00 0.00 H new ATOM 1690 N LYS A 105 183.402 -8.962 11.474 1.00 0.00 N ATOM 1691 CA LYS A 105 183.090 -9.584 12.761 1.00 0.00 C ATOM 1692 C LYS A 105 182.154 -10.783 12.581 1.00 0.00 C ATOM 1693 O LYS A 105 182.361 -11.833 13.190 1.00 0.00 O ATOM 1694 CB LYS A 105 182.458 -8.561 13.713 1.00 0.00 C ATOM 1695 CG LYS A 105 182.195 -9.105 15.112 1.00 0.00 C ATOM 1696 CD LYS A 105 182.407 -8.038 16.175 1.00 0.00 C ATOM 1697 CE LYS A 105 181.909 -8.497 17.539 1.00 0.00 C ATOM 1698 NZ LYS A 105 182.983 -9.150 18.342 1.00 0.00 N ATOM 0 H LYS A 105 182.963 -8.053 11.328 1.00 0.00 H new ATOM 0 HA LYS A 105 184.024 -9.941 13.195 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.114 -7.694 13.788 1.00 0.00 H new ATOM 0 HB3 LYS A 105 181.518 -8.213 13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 105 181.174 -9.481 15.171 1.00 0.00 H new ATOM 0 HG3 LYS A 105 182.857 -9.949 15.305 1.00 0.00 H new ATOM 0 HD2 LYS A 105 183.467 -7.792 16.238 1.00 0.00 H new ATOM 0 HD3 LYS A 105 181.885 -7.126 15.885 1.00 0.00 H new ATOM 0 HE2 LYS A 105 181.518 -7.640 18.088 1.00 0.00 H new ATOM 0 HE3 LYS A 105 181.082 -9.195 17.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 182.598 -9.446 19.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 183.340 -9.983 17.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 183.761 -8.477 18.493 1.00 0.00 H new ATOM 1712 N MET A 106 181.121 -10.620 11.746 1.00 0.00 N ATOM 1713 CA MET A 106 180.160 -11.698 11.494 1.00 0.00 C ATOM 1714 C MET A 106 180.800 -12.840 10.701 1.00 0.00 C ATOM 1715 O MET A 106 180.489 -14.010 10.929 1.00 0.00 O ATOM 1716 CB MET A 106 178.916 -11.174 10.761 1.00 0.00 C ATOM 1717 CG MET A 106 179.212 -10.464 9.448 1.00 0.00 C ATOM 1718 SD MET A 106 177.768 -10.364 8.373 1.00 0.00 S ATOM 1719 CE MET A 106 178.185 -11.584 7.129 1.00 0.00 C ATOM 0 H MET A 106 180.930 -9.757 11.237 1.00 0.00 H new ATOM 0 HA MET A 106 179.849 -12.087 12.464 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.246 -12.011 10.564 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.384 -10.487 11.419 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.575 -9.458 9.657 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.012 -10.990 8.927 1.00 0.00 H new ATOM 0 HE1 MET A 106 177.290 -12.139 6.849 1.00 0.00 H new ATOM 0 HE2 MET A 106 178.591 -11.083 6.250 1.00 0.00 H new ATOM 0 HE3 MET A 106 178.929 -12.273 7.530 1.00 0.00 H new ATOM 1729 N LEU A 107 181.697 -12.498 9.772 1.00 0.00 N ATOM 1730 CA LEU A 107 182.376 -13.503 8.956 1.00 0.00 C ATOM 1731 C LEU A 107 183.553 -14.116 9.715 1.00 0.00 C ATOM 1732 O LEU A 107 183.771 -15.326 9.659 1.00 0.00 O ATOM 1733 CB LEU A 107 182.867 -12.893 7.638 1.00 0.00 C ATOM 1734 CG LEU A 107 181.988 -13.188 6.417 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.461 -11.894 5.812 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.764 -13.991 5.381 1.00 0.00 C ATOM 0 H LEU A 107 181.968 -11.536 9.568 1.00 0.00 H new ATOM 0 HA LEU A 107 181.656 -14.290 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.940 -11.812 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.874 -13.260 7.439 1.00 0.00 H new ATOM 0 HG LEU A 107 181.135 -13.784 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 107 180.839 -12.124 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 107 180.867 -11.361 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.299 -11.270 5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 107 182.124 -14.191 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.637 -13.423 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 107 183.087 -14.935 5.820 1.00 0.00 H new ATOM 1748 N GLN A 108 184.309 -13.273 10.423 1.00 0.00 N ATOM 1749 CA GLN A 108 185.463 -13.734 11.191 1.00 0.00 C ATOM 1750 C GLN A 108 185.292 -13.420 12.679 1.00 0.00 C ATOM 1751 O GLN A 108 185.407 -12.232 13.056 1.00 0.00 O ATOM 1752 CB GLN A 108 186.745 -13.091 10.656 1.00 0.00 C ATOM 1753 CG GLN A 108 187.717 -14.086 10.041 1.00 0.00 C ATOM 1754 CD GLN A 108 189.157 -13.831 10.449 1.00 0.00 C ATOM 1755 OE1 GLN A 108 189.846 -14.730 10.930 1.00 0.00 O ATOM 1756 NE2 GLN A 108 189.620 -12.601 10.254 1.00 0.00 N ATOM 0 H GLN A 108 184.141 -12.268 10.479 1.00 0.00 H new ATOM 0 HA GLN A 108 185.537 -14.816 11.079 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.481 -12.344 9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 108 187.244 -12.565 11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 108 187.433 -15.095 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 108 187.638 -14.040 8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 108 189.014 -11.886 9.852 1.00 0.00 H new ATOM 0 HE22 GLN A 108 190.581 -12.372 10.506 1.00 0.00 H new