USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 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 51 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.0751 (180deg=-1.09) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.013) USER MOD Single : A 3 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 5 TYR OH : rot -53:sc= 1.76 USER MOD Single : A 8 ASN : amide:sc= 0.0393 X(o=0.039,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 8:sc= 1.36 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 15 SER OG : rot -147:sc= -0.819 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0054) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.378 (180deg=0.375) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -115:sc= -2.95 (180deg=-5.54!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 68 MET CE :methyl 139:sc= -0.559 (180deg=-2.19!) USER MOD Single : A 71 THR OG1 : rot 44:sc= 1.78 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.866 5.161 -15.085 1.00 0.00 N ATOM 2 CA MET A 1 2.121 4.023 -14.164 1.00 0.00 C ATOM 3 C MET A 1 3.232 4.354 -13.173 1.00 0.00 C ATOM 4 O MET A 1 4.415 4.190 -13.473 1.00 0.00 O ATOM 5 CB MET A 1 2.505 2.799 -14.997 1.00 0.00 C ATOM 6 CG MET A 1 1.369 2.265 -15.854 1.00 0.00 C ATOM 7 SD MET A 1 1.336 0.464 -15.924 1.00 0.00 S ATOM 8 CE MET A 1 3.072 0.103 -16.178 1.00 0.00 C ATOM 0 H1 MET A 1 1.050 4.941 -15.691 1.00 0.00 H new ATOM 0 H2 MET A 1 1.664 6.018 -14.531 1.00 0.00 H new ATOM 0 H3 MET A 1 2.705 5.322 -15.678 1.00 0.00 H new ATOM 0 HA MET A 1 1.218 3.819 -13.589 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.345 3.058 -15.642 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.848 2.009 -14.329 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.420 2.626 -15.458 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.464 2.662 -16.865 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.173 -0.847 -16.703 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.525 0.896 -16.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.575 0.040 -15.213 1.00 0.00 H new ATOM 20 N ARG A 2 2.844 4.822 -11.992 1.00 0.00 N ATOM 21 CA ARG A 2 3.806 5.178 -10.955 1.00 0.00 C ATOM 22 C ARG A 2 3.784 4.159 -9.820 1.00 0.00 C ATOM 23 O ARG A 2 2.932 3.271 -9.787 1.00 0.00 O ATOM 24 CB ARG A 2 3.505 6.574 -10.408 1.00 0.00 C ATOM 25 CG ARG A 2 4.144 7.694 -11.214 1.00 0.00 C ATOM 26 CD ARG A 2 5.265 8.372 -10.442 1.00 0.00 C ATOM 27 NE ARG A 2 5.542 9.715 -10.947 1.00 0.00 N ATOM 28 CZ ARG A 2 6.267 9.963 -12.035 1.00 0.00 C ATOM 29 NH1 ARG A 2 6.787 8.962 -12.736 1.00 0.00 N ATOM 30 NH2 ARG A 2 6.472 11.213 -12.424 1.00 0.00 N ATOM 0 H ARG A 2 1.869 4.964 -11.728 1.00 0.00 H new ATOM 0 HA ARG A 2 4.800 5.177 -11.401 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.425 6.722 -10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.854 6.634 -9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.536 7.292 -12.148 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.386 8.431 -11.478 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.996 8.429 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.169 7.766 -10.508 1.00 0.00 H new ATOM 0 HE ARG A 2 5.157 10.509 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.631 7.998 -12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.342 9.157 -13.569 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.074 11.985 -11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.028 11.403 -13.258 1.00 0.00 H new ATOM 44 N ASN A 3 4.725 4.294 -8.893 1.00 0.00 N ATOM 45 CA ASN A 3 4.815 3.385 -7.755 1.00 0.00 C ATOM 46 C ASN A 3 4.455 4.101 -6.457 1.00 0.00 C ATOM 47 O ASN A 3 4.981 5.175 -6.162 1.00 0.00 O ATOM 48 CB ASN A 3 6.224 2.798 -7.654 1.00 0.00 C ATOM 49 CG ASN A 3 6.524 1.821 -8.774 1.00 0.00 C ATOM 50 OD1 ASN A 3 7.487 1.993 -9.521 1.00 0.00 O ATOM 51 ND2 ASN A 3 5.699 0.787 -8.894 1.00 0.00 N ATOM 0 H ASN A 3 5.437 5.024 -8.906 1.00 0.00 H new ATOM 0 HA ASN A 3 4.102 2.575 -7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.954 3.607 -7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.336 2.293 -6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.851 0.096 -9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.913 0.684 -8.252 1.00 0.00 H new ATOM 58 N ILE A 4 3.555 3.500 -5.685 1.00 0.00 N ATOM 59 CA ILE A 4 3.126 4.080 -4.418 1.00 0.00 C ATOM 60 C ILE A 4 3.873 3.452 -3.246 1.00 0.00 C ATOM 61 O ILE A 4 4.162 2.256 -3.251 1.00 0.00 O ATOM 62 CB ILE A 4 1.610 3.902 -4.202 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.843 4.274 -5.472 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.139 4.745 -3.026 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.637 3.963 -5.398 1.00 0.00 C ATOM 0 H ILE A 4 3.109 2.612 -5.915 1.00 0.00 H new ATOM 0 HA ILE A 4 3.355 5.145 -4.464 1.00 0.00 H new ATOM 0 HB ILE A 4 1.412 2.854 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.973 5.339 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.276 3.740 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.067 4.608 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.665 4.435 -2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.348 5.796 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.117 4.253 -6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.777 2.894 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.085 4.518 -4.573 1.00 0.00 H new ATOM 77 N TYR A 5 4.182 4.267 -2.243 1.00 0.00 N ATOM 78 CA TYR A 5 4.897 3.791 -1.063 1.00 0.00 C ATOM 79 C TYR A 5 4.040 3.937 0.190 1.00 0.00 C ATOM 80 O TYR A 5 3.585 5.032 0.520 1.00 0.00 O ATOM 81 CB TYR A 5 6.208 4.561 -0.891 1.00 0.00 C ATOM 82 CG TYR A 5 7.155 3.930 0.105 1.00 0.00 C ATOM 83 CD1 TYR A 5 8.010 2.903 -0.275 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.194 4.362 1.424 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.877 2.323 0.632 1.00 0.00 C ATOM 86 CE2 TYR A 5 8.059 3.788 2.337 1.00 0.00 C ATOM 87 CZ TYR A 5 8.898 2.769 1.936 1.00 0.00 C ATOM 88 OH TYR A 5 9.759 2.195 2.842 1.00 0.00 O ATOM 0 H TYR A 5 3.949 5.260 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 5 5.120 2.734 -1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.706 4.634 -1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.983 5.578 -0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.997 2.552 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.538 5.159 1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.534 1.525 0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.078 4.136 3.359 1.00 0.00 H new ATOM 0 HH TYR A 5 9.635 1.223 2.841 1.00 0.00 H new ATOM 98 N VAL A 6 3.827 2.825 0.887 1.00 0.00 N ATOM 99 CA VAL A 6 3.027 2.827 2.107 1.00 0.00 C ATOM 100 C VAL A 6 3.802 2.214 3.269 1.00 0.00 C ATOM 101 O VAL A 6 4.227 1.061 3.204 1.00 0.00 O ATOM 102 CB VAL A 6 1.705 2.056 1.912 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.976 0.596 1.584 1.00 0.00 C ATOM 104 CG2 VAL A 6 0.824 2.180 3.147 1.00 0.00 C ATOM 0 H VAL A 6 4.197 1.911 0.628 1.00 0.00 H new ATOM 0 HA VAL A 6 2.797 3.867 2.338 1.00 0.00 H new ATOM 0 HB VAL A 6 1.173 2.498 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.030 0.071 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.559 0.532 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.533 0.137 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.103 1.629 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.348 1.769 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.596 3.231 3.327 1.00 0.00 H new ATOM 114 N GLY A 7 3.984 2.993 4.331 1.00 0.00 N ATOM 115 CA GLY A 7 4.712 2.509 5.491 1.00 0.00 C ATOM 116 C GLY A 7 3.807 2.226 6.673 1.00 0.00 C ATOM 117 O GLY A 7 3.749 3.010 7.621 1.00 0.00 O ATOM 0 H GLY A 7 3.641 3.950 4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.249 1.599 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.460 3.248 5.780 1.00 0.00 H new ATOM 121 N ASN A 8 3.099 1.101 6.619 1.00 0.00 N ATOM 122 CA ASN A 8 2.194 0.713 7.694 1.00 0.00 C ATOM 123 C ASN A 8 1.549 -0.639 7.397 1.00 0.00 C ATOM 124 O ASN A 8 0.324 -0.769 7.401 1.00 0.00 O ATOM 125 CB ASN A 8 1.111 1.776 7.889 1.00 0.00 C ATOM 126 CG ASN A 8 0.509 1.739 9.281 1.00 0.00 C ATOM 127 OD1 ASN A 8 1.030 2.355 10.211 1.00 0.00 O ATOM 128 ND2 ASN A 8 -0.594 1.015 9.429 1.00 0.00 N ATOM 0 H ASN A 8 3.135 0.442 5.841 1.00 0.00 H new ATOM 0 HA ASN A 8 2.775 0.627 8.612 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.537 2.763 7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.323 1.627 7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.045 0.953 10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.991 0.521 8.630 1.00 0.00 H new ATOM 135 N LEU A 9 2.382 -1.642 7.137 1.00 0.00 N ATOM 136 CA LEU A 9 1.891 -2.981 6.835 1.00 0.00 C ATOM 137 C LEU A 9 2.573 -4.028 7.709 1.00 0.00 C ATOM 138 O LEU A 9 3.263 -3.696 8.673 1.00 0.00 O ATOM 139 CB LEU A 9 2.121 -3.308 5.359 1.00 0.00 C ATOM 140 CG LEU A 9 1.778 -2.181 4.385 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.043 -2.617 2.952 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.327 -1.755 4.556 1.00 0.00 C ATOM 0 H LEU A 9 3.398 -1.553 7.129 1.00 0.00 H new ATOM 0 HA LEU A 9 0.822 -3.002 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.168 -3.580 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.527 -4.185 5.100 1.00 0.00 H new ATOM 0 HG LEU A 9 2.416 -1.325 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.793 -1.803 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.096 -2.874 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.430 -3.487 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.099 -0.952 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.327 -2.605 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.169 -1.403 5.575 1.00 0.00 H new ATOM 154 N VAL A 10 2.372 -5.295 7.361 1.00 0.00 N ATOM 155 CA VAL A 10 2.961 -6.401 8.106 1.00 0.00 C ATOM 156 C VAL A 10 2.590 -7.737 7.459 1.00 0.00 C ATOM 157 O VAL A 10 2.077 -7.768 6.342 1.00 0.00 O ATOM 158 CB VAL A 10 2.516 -6.371 9.590 1.00 0.00 C ATOM 159 CG1 VAL A 10 1.222 -7.145 9.803 1.00 0.00 C ATOM 160 CG2 VAL A 10 3.621 -6.902 10.492 1.00 0.00 C ATOM 0 H VAL A 10 1.803 -5.582 6.564 1.00 0.00 H new ATOM 0 HA VAL A 10 4.045 -6.291 8.078 1.00 0.00 H new ATOM 0 HB VAL A 10 2.322 -5.332 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.941 -7.102 10.855 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.430 -6.704 9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.367 -8.184 9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.289 -6.873 11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.855 -7.930 10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.512 -6.284 10.378 1.00 0.00 H new ATOM 170 N TYR A 11 2.852 -8.839 8.160 1.00 0.00 N ATOM 171 CA TYR A 11 2.542 -10.170 7.642 1.00 0.00 C ATOM 172 C TYR A 11 1.127 -10.221 7.068 1.00 0.00 C ATOM 173 O TYR A 11 0.894 -10.813 6.013 1.00 0.00 O ATOM 174 CB TYR A 11 2.694 -11.218 8.747 1.00 0.00 C ATOM 175 CG TYR A 11 4.123 -11.663 8.968 1.00 0.00 C ATOM 176 CD1 TYR A 11 4.988 -10.917 9.759 1.00 0.00 C ATOM 177 CD2 TYR A 11 4.605 -12.829 8.386 1.00 0.00 C ATOM 178 CE1 TYR A 11 6.294 -11.321 9.963 1.00 0.00 C ATOM 179 CE2 TYR A 11 5.909 -13.239 8.587 1.00 0.00 C ATOM 180 CZ TYR A 11 6.748 -12.482 9.376 1.00 0.00 C ATOM 181 OH TYR A 11 8.048 -12.887 9.577 1.00 0.00 O ATOM 0 H TYR A 11 3.278 -8.836 9.087 1.00 0.00 H new ATOM 0 HA TYR A 11 3.246 -10.391 6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.301 -10.811 9.679 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.086 -12.088 8.497 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.634 -10.007 10.222 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.950 -13.424 7.767 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.955 -10.730 10.579 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.269 -14.148 8.128 1.00 0.00 H new ATOM 0 HH TYR A 11 8.208 -13.725 9.095 1.00 0.00 H new ATOM 191 N SER A 12 0.190 -9.595 7.770 1.00 0.00 N ATOM 192 CA SER A 12 -1.202 -9.562 7.336 1.00 0.00 C ATOM 193 C SER A 12 -1.994 -8.539 8.145 1.00 0.00 C ATOM 194 O SER A 12 -2.752 -8.898 9.045 1.00 0.00 O ATOM 195 CB SER A 12 -1.837 -10.947 7.478 1.00 0.00 C ATOM 196 OG SER A 12 -1.673 -11.708 6.293 1.00 0.00 O ATOM 0 H SER A 12 0.369 -9.102 8.645 1.00 0.00 H new ATOM 0 HA SER A 12 -1.225 -9.269 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.384 -11.474 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.898 -10.842 7.703 1.00 0.00 H new ATOM 0 HG SER A 12 -1.083 -11.228 5.675 1.00 0.00 H new ATOM 202 N ALA A 13 -1.806 -7.263 7.823 1.00 0.00 N ATOM 203 CA ALA A 13 -2.498 -6.190 8.525 1.00 0.00 C ATOM 204 C ALA A 13 -3.735 -5.728 7.762 1.00 0.00 C ATOM 205 O ALA A 13 -4.858 -5.853 8.250 1.00 0.00 O ATOM 206 CB ALA A 13 -1.553 -5.019 8.757 1.00 0.00 C ATOM 0 H ALA A 13 -1.181 -6.948 7.081 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.828 -6.580 9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.082 -4.223 9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.705 -5.349 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.195 -4.645 7.798 1.00 0.00 H new ATOM 212 N THR A 14 -3.523 -5.190 6.565 1.00 0.00 N ATOM 213 CA THR A 14 -4.628 -4.705 5.742 1.00 0.00 C ATOM 214 C THR A 14 -4.212 -4.507 4.284 1.00 0.00 C ATOM 215 O THR A 14 -5.064 -4.440 3.399 1.00 0.00 O ATOM 216 CB THR A 14 -5.172 -3.390 6.309 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.758 -3.208 7.652 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.684 -3.307 6.279 1.00 0.00 C ATOM 0 H THR A 14 -2.601 -5.079 6.144 1.00 0.00 H new ATOM 0 HA THR A 14 -5.409 -5.465 5.765 1.00 0.00 H new ATOM 0 HB THR A 14 -4.766 -2.610 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.116 -2.362 7.993 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.004 -2.351 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.033 -3.390 5.250 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.105 -4.119 6.871 1.00 0.00 H new ATOM 226 N SER A 15 -2.908 -4.405 4.031 1.00 0.00 N ATOM 227 CA SER A 15 -2.406 -4.210 2.672 1.00 0.00 C ATOM 228 C SER A 15 -3.055 -5.180 1.692 1.00 0.00 C ATOM 229 O SER A 15 -3.701 -4.766 0.729 1.00 0.00 O ATOM 230 CB SER A 15 -0.885 -4.373 2.636 1.00 0.00 C ATOM 231 OG SER A 15 -0.342 -3.838 1.441 1.00 0.00 O ATOM 0 H SER A 15 -2.183 -4.454 4.746 1.00 0.00 H new ATOM 0 HA SER A 15 -2.666 -3.196 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.442 -3.872 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.627 -5.429 2.715 1.00 0.00 H new ATOM 0 HG SER A 15 0.442 -4.362 1.175 1.00 0.00 H new ATOM 237 N GLU A 16 -2.890 -6.473 1.945 1.00 0.00 N ATOM 238 CA GLU A 16 -3.473 -7.496 1.085 1.00 0.00 C ATOM 239 C GLU A 16 -4.998 -7.483 1.180 1.00 0.00 C ATOM 240 O GLU A 16 -5.683 -8.118 0.379 1.00 0.00 O ATOM 241 CB GLU A 16 -2.938 -8.878 1.466 1.00 0.00 C ATOM 242 CG GLU A 16 -3.286 -9.296 2.884 1.00 0.00 C ATOM 243 CD GLU A 16 -2.425 -10.441 3.382 1.00 0.00 C ATOM 244 OE1 GLU A 16 -2.569 -11.565 2.855 1.00 0.00 O ATOM 245 OE2 GLU A 16 -1.609 -10.216 4.300 1.00 0.00 O ATOM 0 H GLU A 16 -2.359 -6.837 2.736 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.189 -7.275 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.336 -9.617 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.854 -8.883 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.168 -8.441 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.335 -9.590 2.925 1.00 0.00 H new ATOM 252 N GLN A 17 -5.522 -6.756 2.165 1.00 0.00 N ATOM 253 CA GLN A 17 -6.962 -6.661 2.365 1.00 0.00 C ATOM 254 C GLN A 17 -7.548 -5.485 1.586 1.00 0.00 C ATOM 255 O GLN A 17 -8.691 -5.538 1.131 1.00 0.00 O ATOM 256 CB GLN A 17 -7.276 -6.515 3.857 1.00 0.00 C ATOM 257 CG GLN A 17 -8.752 -6.306 4.155 1.00 0.00 C ATOM 258 CD GLN A 17 -9.108 -6.631 5.593 1.00 0.00 C ATOM 259 OE1 GLN A 17 -8.974 -7.772 6.035 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.564 -5.626 6.331 1.00 0.00 N ATOM 0 H GLN A 17 -4.968 -6.224 2.836 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.420 -7.577 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.932 -7.407 4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.711 -5.673 4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.019 -5.270 3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.346 -6.931 3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.659 -4.696 5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.819 -5.784 7.306 1.00 0.00 H new ATOM 269 N VAL A 18 -6.763 -4.422 1.448 1.00 0.00 N ATOM 270 CA VAL A 18 -7.208 -3.229 0.734 1.00 0.00 C ATOM 271 C VAL A 18 -6.931 -3.330 -0.764 1.00 0.00 C ATOM 272 O VAL A 18 -7.614 -2.701 -1.572 1.00 0.00 O ATOM 273 CB VAL A 18 -6.531 -1.960 1.291 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.020 -2.039 1.126 1.00 0.00 C ATOM 275 CG2 VAL A 18 -7.086 -0.715 0.614 1.00 0.00 C ATOM 0 H VAL A 18 -5.815 -4.361 1.821 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.285 -3.158 0.886 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.751 -1.894 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.563 -1.134 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.640 -2.906 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.774 -2.134 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.596 0.169 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.901 -0.771 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.159 -0.650 0.795 1.00 0.00 H new ATOM 285 N LYS A 19 -5.927 -4.121 -1.132 1.00 0.00 N ATOM 286 CA LYS A 19 -5.568 -4.293 -2.536 1.00 0.00 C ATOM 287 C LYS A 19 -6.768 -4.762 -3.355 1.00 0.00 C ATOM 288 O LYS A 19 -6.877 -4.459 -4.543 1.00 0.00 O ATOM 289 CB LYS A 19 -4.418 -5.292 -2.676 1.00 0.00 C ATOM 290 CG LYS A 19 -4.784 -6.706 -2.258 1.00 0.00 C ATOM 291 CD LYS A 19 -3.714 -7.704 -2.670 1.00 0.00 C ATOM 292 CE LYS A 19 -3.990 -9.086 -2.102 1.00 0.00 C ATOM 293 NZ LYS A 19 -5.217 -9.694 -2.688 1.00 0.00 N ATOM 0 H LYS A 19 -5.349 -4.651 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.246 -3.325 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.083 -5.304 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.576 -4.951 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.921 -6.743 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.736 -6.985 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.667 -7.760 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.740 -7.357 -2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.136 -9.735 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.100 -9.018 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.360 -10.643 -2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.040 -9.097 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.109 -9.767 -3.720 1.00 0.00 H new ATOM 307 N GLU A 20 -7.668 -5.497 -2.710 1.00 0.00 N ATOM 308 CA GLU A 20 -8.860 -6.003 -3.378 1.00 0.00 C ATOM 309 C GLU A 20 -9.798 -4.859 -3.750 1.00 0.00 C ATOM 310 O GLU A 20 -10.449 -4.890 -4.794 1.00 0.00 O ATOM 311 CB GLU A 20 -9.589 -7.004 -2.479 1.00 0.00 C ATOM 312 CG GLU A 20 -9.134 -8.441 -2.676 1.00 0.00 C ATOM 313 CD GLU A 20 -9.970 -9.180 -3.703 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.304 -8.575 -4.744 1.00 0.00 O ATOM 315 OE2 GLU A 20 -10.290 -10.364 -3.469 1.00 0.00 O ATOM 0 H GLU A 20 -7.594 -5.755 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.549 -6.508 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.436 -6.723 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.660 -6.941 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.090 -8.448 -2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.185 -8.968 -1.723 1.00 0.00 H new ATOM 322 N LEU A 21 -9.859 -3.848 -2.888 1.00 0.00 N ATOM 323 CA LEU A 21 -10.714 -2.692 -3.124 1.00 0.00 C ATOM 324 C LEU A 21 -10.006 -1.664 -4.003 1.00 0.00 C ATOM 325 O LEU A 21 -10.646 -0.937 -4.762 1.00 0.00 O ATOM 326 CB LEU A 21 -11.119 -2.051 -1.795 1.00 0.00 C ATOM 327 CG LEU A 21 -12.009 -0.811 -1.918 1.00 0.00 C ATOM 328 CD1 LEU A 21 -12.980 -0.734 -0.751 1.00 0.00 C ATOM 329 CD2 LEU A 21 -11.158 0.448 -1.990 1.00 0.00 C ATOM 0 H LEU A 21 -9.326 -3.807 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.610 -3.033 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.641 -2.796 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.215 -1.778 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.586 -0.890 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.604 0.153 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.611 -1.623 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.422 -0.677 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.806 1.320 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.556 0.532 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.502 0.395 -2.859 1.00 0.00 H new ATOM 341 N PHE A 22 -8.682 -1.614 -3.895 1.00 0.00 N ATOM 342 CA PHE A 22 -7.885 -0.677 -4.680 1.00 0.00 C ATOM 343 C PHE A 22 -7.936 -1.023 -6.168 1.00 0.00 C ATOM 344 O PHE A 22 -7.608 -0.195 -7.017 1.00 0.00 O ATOM 345 CB PHE A 22 -6.435 -0.678 -4.190 1.00 0.00 C ATOM 346 CG PHE A 22 -6.015 0.618 -3.558 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.324 1.829 -4.157 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.314 0.626 -2.363 1.00 0.00 C ATOM 349 CE1 PHE A 22 -5.940 3.023 -3.577 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.926 1.817 -1.779 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.240 3.017 -2.386 1.00 0.00 C ATOM 0 H PHE A 22 -8.138 -2.211 -3.272 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.307 0.319 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.304 -1.484 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.776 -0.893 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.871 1.840 -5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.068 -0.309 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.187 3.960 -4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.378 1.809 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.939 3.949 -1.931 1.00 0.00 H new ATOM 361 N SER A 23 -8.343 -2.251 -6.478 1.00 0.00 N ATOM 362 CA SER A 23 -8.430 -2.700 -7.864 1.00 0.00 C ATOM 363 C SER A 23 -9.704 -2.188 -8.533 1.00 0.00 C ATOM 364 O SER A 23 -9.766 -2.066 -9.756 1.00 0.00 O ATOM 365 CB SER A 23 -8.388 -4.228 -7.928 1.00 0.00 C ATOM 366 OG SER A 23 -7.635 -4.670 -9.044 1.00 0.00 O ATOM 0 H SER A 23 -8.617 -2.952 -5.789 1.00 0.00 H new ATOM 0 HA SER A 23 -7.574 -2.292 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.950 -4.622 -7.011 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.403 -4.621 -7.991 1.00 0.00 H new ATOM 0 HG SER A 23 -7.621 -5.650 -9.062 1.00 0.00 H new ATOM 372 N GLN A 24 -10.719 -1.892 -7.727 1.00 0.00 N ATOM 373 CA GLN A 24 -11.989 -1.399 -8.249 1.00 0.00 C ATOM 374 C GLN A 24 -11.980 0.122 -8.379 1.00 0.00 C ATOM 375 O GLN A 24 -12.708 0.687 -9.195 1.00 0.00 O ATOM 376 CB GLN A 24 -13.141 -1.839 -7.344 1.00 0.00 C ATOM 377 CG GLN A 24 -13.096 -1.223 -5.955 1.00 0.00 C ATOM 378 CD GLN A 24 -14.463 -0.776 -5.471 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.394 -1.575 -5.381 1.00 0.00 O ATOM 380 NE2 GLN A 24 -14.587 0.508 -5.157 1.00 0.00 N ATOM 0 H GLN A 24 -10.687 -1.985 -6.712 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.131 -1.825 -9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -14.086 -1.574 -7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.124 -2.925 -7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.685 -1.949 -5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.420 -0.368 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.787 1.135 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.482 0.868 -4.825 1.00 0.00 H new ATOM 389 N PHE A 25 -11.158 0.781 -7.568 1.00 0.00 N ATOM 390 CA PHE A 25 -11.066 2.237 -7.596 1.00 0.00 C ATOM 391 C PHE A 25 -9.757 2.696 -8.233 1.00 0.00 C ATOM 392 O PHE A 25 -9.704 3.744 -8.876 1.00 0.00 O ATOM 393 CB PHE A 25 -11.179 2.802 -6.179 1.00 0.00 C ATOM 394 CG PHE A 25 -11.721 4.202 -6.133 1.00 0.00 C ATOM 395 CD1 PHE A 25 -12.974 4.491 -6.649 1.00 0.00 C ATOM 396 CD2 PHE A 25 -10.977 5.229 -5.573 1.00 0.00 C ATOM 397 CE1 PHE A 25 -13.476 5.779 -6.608 1.00 0.00 C ATOM 398 CE2 PHE A 25 -11.473 6.518 -5.530 1.00 0.00 C ATOM 399 CZ PHE A 25 -12.724 6.793 -6.048 1.00 0.00 C ATOM 0 H PHE A 25 -10.548 0.332 -6.885 1.00 0.00 H new ATOM 0 HA PHE A 25 -11.891 2.612 -8.201 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.824 2.152 -5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.195 2.786 -5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.565 3.701 -7.088 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.999 5.019 -5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.454 5.991 -7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.883 7.310 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 25 -13.113 7.800 -6.015 1.00 0.00 H new ATOM 409 N GLY A 26 -8.703 1.907 -8.049 1.00 0.00 N ATOM 410 CA GLY A 26 -7.411 2.256 -8.609 1.00 0.00 C ATOM 411 C GLY A 26 -6.949 1.280 -9.675 1.00 0.00 C ATOM 412 O GLY A 26 -6.157 1.635 -10.547 1.00 0.00 O ATOM 0 H GLY A 26 -8.721 1.033 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.464 3.257 -9.038 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.671 2.291 -7.809 1.00 0.00 H new ATOM 416 N LYS A 27 -7.440 0.047 -9.603 1.00 0.00 N ATOM 417 CA LYS A 27 -7.067 -0.980 -10.568 1.00 0.00 C ATOM 418 C LYS A 27 -5.572 -1.280 -10.488 1.00 0.00 C ATOM 419 O LYS A 27 -4.860 -1.230 -11.491 1.00 0.00 O ATOM 420 CB LYS A 27 -7.442 -0.538 -11.987 1.00 0.00 C ATOM 421 CG LYS A 27 -8.104 -1.633 -12.810 1.00 0.00 C ATOM 422 CD LYS A 27 -7.102 -2.695 -13.239 1.00 0.00 C ATOM 423 CE LYS A 27 -7.081 -2.866 -14.750 1.00 0.00 C ATOM 424 NZ LYS A 27 -5.698 -3.057 -15.268 1.00 0.00 N ATOM 0 H LYS A 27 -8.096 -0.265 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.614 -1.891 -10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.115 0.317 -11.926 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.543 -0.200 -12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.899 -2.097 -12.227 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.570 -1.194 -13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.107 -2.420 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.354 -3.645 -12.768 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.694 -3.724 -15.027 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.527 -1.990 -15.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.721 -3.119 -16.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.106 -2.251 -14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.299 -3.935 -14.878 1.00 0.00 H new ATOM 438 N VAL A 28 -5.103 -1.591 -9.283 1.00 0.00 N ATOM 439 CA VAL A 28 -3.695 -1.899 -9.066 1.00 0.00 C ATOM 440 C VAL A 28 -3.243 -3.063 -9.944 1.00 0.00 C ATOM 441 O VAL A 28 -3.998 -4.006 -10.179 1.00 0.00 O ATOM 442 CB VAL A 28 -3.418 -2.242 -7.588 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.238 -3.449 -7.154 1.00 0.00 C ATOM 444 CG2 VAL A 28 -1.933 -2.485 -7.362 1.00 0.00 C ATOM 0 H VAL A 28 -5.679 -1.636 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.130 -1.007 -9.336 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.718 -1.391 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.028 -3.675 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.299 -3.229 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.975 -4.308 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.759 -2.725 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.601 -3.316 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.373 -1.588 -7.626 1.00 0.00 H new ATOM 454 N PHE A 29 -2.006 -2.987 -10.424 1.00 0.00 N ATOM 455 CA PHE A 29 -1.451 -4.032 -11.276 1.00 0.00 C ATOM 456 C PHE A 29 -0.532 -4.952 -10.479 1.00 0.00 C ATOM 457 O PHE A 29 -0.538 -6.168 -10.667 1.00 0.00 O ATOM 458 CB PHE A 29 -0.682 -3.412 -12.444 1.00 0.00 C ATOM 459 CG PHE A 29 -1.522 -2.513 -13.306 1.00 0.00 C ATOM 460 CD1 PHE A 29 -2.026 -1.323 -12.804 1.00 0.00 C ATOM 461 CD2 PHE A 29 -1.809 -2.858 -14.617 1.00 0.00 C ATOM 462 CE1 PHE A 29 -2.799 -0.494 -13.594 1.00 0.00 C ATOM 463 CE2 PHE A 29 -2.582 -2.032 -15.411 1.00 0.00 C ATOM 464 CZ PHE A 29 -3.077 -0.850 -14.900 1.00 0.00 C ATOM 0 H PHE A 29 -1.369 -2.213 -10.237 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.278 -4.624 -11.668 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.161 -2.842 -12.052 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.268 -4.210 -13.060 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.812 -1.041 -11.784 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.425 -3.782 -15.023 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.185 0.431 -13.192 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.799 -2.312 -16.431 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.681 -0.204 -15.520 1.00 0.00 H new ATOM 474 N ASN A 30 0.257 -4.361 -9.587 1.00 0.00 N ATOM 475 CA ASN A 30 1.182 -5.127 -8.759 1.00 0.00 C ATOM 476 C ASN A 30 1.186 -4.608 -7.324 1.00 0.00 C ATOM 477 O ASN A 30 1.392 -3.418 -7.085 1.00 0.00 O ATOM 478 CB ASN A 30 2.595 -5.062 -9.343 1.00 0.00 C ATOM 479 CG ASN A 30 3.316 -6.394 -9.261 1.00 0.00 C ATOM 480 OD1 ASN A 30 3.319 -7.048 -8.218 1.00 0.00 O ATOM 481 ND2 ASN A 30 3.933 -6.801 -10.364 1.00 0.00 N ATOM 0 H ASN A 30 0.274 -3.355 -9.419 1.00 0.00 H new ATOM 0 HA ASN A 30 0.848 -6.165 -8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.541 -4.745 -10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.171 -4.306 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.436 -7.688 -10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.904 -6.226 -11.206 1.00 0.00 H new ATOM 488 N VAL A 31 0.956 -5.508 -6.375 1.00 0.00 N ATOM 489 CA VAL A 31 0.933 -5.141 -4.964 1.00 0.00 C ATOM 490 C VAL A 31 1.466 -6.275 -4.093 1.00 0.00 C ATOM 491 O VAL A 31 1.064 -7.428 -4.245 1.00 0.00 O ATOM 492 CB VAL A 31 -0.492 -4.774 -4.502 1.00 0.00 C ATOM 493 CG1 VAL A 31 -1.431 -5.962 -4.661 1.00 0.00 C ATOM 494 CG2 VAL A 31 -0.479 -4.282 -3.063 1.00 0.00 C ATOM 0 H VAL A 31 0.783 -6.497 -6.557 1.00 0.00 H new ATOM 0 HA VAL A 31 1.577 -4.269 -4.852 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.860 -3.965 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.431 -5.682 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.466 -6.260 -5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.069 -6.795 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.494 -4.028 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.089 -5.066 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.155 -3.399 -2.986 1.00 0.00 H new ATOM 504 N LYS A 32 2.373 -5.938 -3.183 1.00 0.00 N ATOM 505 CA LYS A 32 2.961 -6.929 -2.288 1.00 0.00 C ATOM 506 C LYS A 32 3.786 -6.254 -1.195 1.00 0.00 C ATOM 507 O LYS A 32 4.039 -5.051 -1.249 1.00 0.00 O ATOM 508 CB LYS A 32 3.835 -7.905 -3.081 1.00 0.00 C ATOM 509 CG LYS A 32 3.301 -9.329 -3.091 1.00 0.00 C ATOM 510 CD LYS A 32 2.987 -9.798 -4.504 1.00 0.00 C ATOM 511 CE LYS A 32 4.135 -10.605 -5.090 1.00 0.00 C ATOM 512 NZ LYS A 32 3.902 -12.072 -4.971 1.00 0.00 N ATOM 0 H LYS A 32 2.717 -4.988 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 32 2.151 -7.483 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.921 -7.551 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.840 -7.905 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.035 -9.997 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.400 -9.385 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.082 -10.405 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.786 -8.935 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.264 -10.342 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.061 -10.342 -4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.707 -12.586 -5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.804 -12.328 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.032 -12.328 -5.480 1.00 0.00 H new ATOM 526 N LEU A 33 4.200 -7.038 -0.206 1.00 0.00 N ATOM 527 CA LEU A 33 4.996 -6.517 0.901 1.00 0.00 C ATOM 528 C LEU A 33 6.483 -6.756 0.659 1.00 0.00 C ATOM 529 O LEU A 33 6.864 -7.682 -0.056 1.00 0.00 O ATOM 530 CB LEU A 33 4.570 -7.172 2.215 1.00 0.00 C ATOM 531 CG LEU A 33 3.069 -7.123 2.506 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.718 -8.058 3.652 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.636 -5.700 2.824 1.00 0.00 C ATOM 0 H LEU A 33 3.998 -8.036 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 33 4.824 -5.443 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.889 -8.214 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.100 -6.686 3.034 1.00 0.00 H new ATOM 0 HG LEU A 33 2.533 -7.455 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.646 -8.010 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.994 -9.079 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.262 -7.757 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.566 -5.683 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.179 -5.341 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.853 -5.055 1.973 1.00 0.00 H new ATOM 545 N ILE A 34 7.317 -5.916 1.263 1.00 0.00 N ATOM 546 CA ILE A 34 8.763 -6.039 1.111 1.00 0.00 C ATOM 547 C ILE A 34 9.362 -6.889 2.227 1.00 0.00 C ATOM 548 O ILE A 34 8.661 -7.309 3.147 1.00 0.00 O ATOM 549 CB ILE A 34 9.450 -4.658 1.106 1.00 0.00 C ATOM 550 CG1 ILE A 34 9.201 -3.928 2.428 1.00 0.00 C ATOM 551 CG2 ILE A 34 8.954 -3.825 -0.067 1.00 0.00 C ATOM 552 CD1 ILE A 34 10.296 -4.138 3.449 1.00 0.00 C ATOM 0 H ILE A 34 7.018 -5.145 1.860 1.00 0.00 H new ATOM 0 HA ILE A 34 8.939 -6.526 0.152 1.00 0.00 H new ATOM 0 HB ILE A 34 10.524 -4.806 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.099 -2.861 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.254 -4.267 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.448 -2.853 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.183 -4.339 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.876 -3.685 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.053 -3.592 4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.384 -5.201 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.242 -3.773 3.048 1.00 0.00 H new ATOM 564 N TYR A 35 10.664 -7.140 2.138 1.00 0.00 N ATOM 565 CA TYR A 35 11.360 -7.940 3.138 1.00 0.00 C ATOM 566 C TYR A 35 12.778 -7.423 3.357 1.00 0.00 C ATOM 567 O TYR A 35 13.250 -6.549 2.630 1.00 0.00 O ATOM 568 CB TYR A 35 11.400 -9.408 2.710 1.00 0.00 C ATOM 569 CG TYR A 35 10.061 -10.104 2.808 1.00 0.00 C ATOM 570 CD1 TYR A 35 9.080 -9.901 1.846 1.00 0.00 C ATOM 571 CD2 TYR A 35 9.779 -10.964 3.862 1.00 0.00 C ATOM 572 CE1 TYR A 35 7.855 -10.535 1.932 1.00 0.00 C ATOM 573 CE2 TYR A 35 8.557 -11.601 3.954 1.00 0.00 C ATOM 574 CZ TYR A 35 7.598 -11.384 2.987 1.00 0.00 C ATOM 575 OH TYR A 35 6.380 -12.017 3.076 1.00 0.00 O ATOM 0 H TYR A 35 11.259 -6.800 1.382 1.00 0.00 H new ATOM 0 HA TYR A 35 10.813 -7.858 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.757 -9.468 1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.122 -9.939 3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.278 -9.237 1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.527 -11.137 4.621 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.102 -10.366 1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.353 -12.266 4.780 1.00 0.00 H new ATOM 0 HH TYR A 35 6.362 -12.580 3.878 1.00 0.00 H new ATOM 585 N ASP A 36 13.453 -7.967 4.364 1.00 0.00 N ATOM 586 CA ASP A 36 14.817 -7.560 4.678 1.00 0.00 C ATOM 587 C ASP A 36 15.819 -8.262 3.766 1.00 0.00 C ATOM 588 O ASP A 36 15.511 -9.292 3.166 1.00 0.00 O ATOM 589 CB ASP A 36 15.138 -7.864 6.145 1.00 0.00 C ATOM 590 CG ASP A 36 15.482 -6.614 6.931 1.00 0.00 C ATOM 591 OD1 ASP A 36 16.638 -6.150 6.832 1.00 0.00 O ATOM 592 OD2 ASP A 36 14.597 -6.100 7.647 1.00 0.00 O ATOM 0 H ASP A 36 13.077 -8.691 4.977 1.00 0.00 H new ATOM 0 HA ASP A 36 14.897 -6.486 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.283 -8.357 6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.973 -8.563 6.194 1.00 0.00 H new ATOM 597 N ARG A 37 17.018 -7.699 3.666 1.00 0.00 N ATOM 598 CA ARG A 37 18.066 -8.272 2.828 1.00 0.00 C ATOM 599 C ARG A 37 19.106 -8.998 3.675 1.00 0.00 C ATOM 600 O ARG A 37 20.283 -9.055 3.317 1.00 0.00 O ATOM 601 CB ARG A 37 18.740 -7.176 2.000 1.00 0.00 C ATOM 602 CG ARG A 37 19.125 -7.622 0.598 1.00 0.00 C ATOM 603 CD ARG A 37 18.146 -7.104 -0.444 1.00 0.00 C ATOM 604 NE ARG A 37 17.238 -8.149 -0.910 1.00 0.00 N ATOM 605 CZ ARG A 37 16.143 -7.913 -1.630 1.00 0.00 C ATOM 606 NH1 ARG A 37 15.817 -6.671 -1.968 1.00 0.00 N ATOM 607 NH2 ARG A 37 15.372 -8.921 -2.014 1.00 0.00 N ATOM 0 H ARG A 37 17.289 -6.846 4.155 1.00 0.00 H new ATOM 0 HA ARG A 37 17.604 -8.995 2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.068 -6.321 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 37 19.634 -6.836 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 37 20.128 -7.265 0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.157 -8.711 0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.567 -6.283 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.699 -6.700 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 37 17.455 -9.116 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.407 -5.892 -1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.977 -6.496 -2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.618 -9.877 -1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.533 -8.740 -2.566 1.00 0.00 H new ATOM 621 N GLU A 38 18.664 -9.551 4.801 1.00 0.00 N ATOM 622 CA GLU A 38 19.557 -10.273 5.699 1.00 0.00 C ATOM 623 C GLU A 38 18.842 -11.458 6.339 1.00 0.00 C ATOM 624 O GLU A 38 19.278 -12.602 6.212 1.00 0.00 O ATOM 625 CB GLU A 38 20.089 -9.336 6.786 1.00 0.00 C ATOM 626 CG GLU A 38 21.377 -9.820 7.431 1.00 0.00 C ATOM 627 CD GLU A 38 21.595 -9.232 8.811 1.00 0.00 C ATOM 628 OE1 GLU A 38 20.596 -8.870 9.466 1.00 0.00 O ATOM 629 OE2 GLU A 38 22.765 -9.134 9.235 1.00 0.00 O ATOM 0 H GLU A 38 17.693 -9.512 5.112 1.00 0.00 H new ATOM 0 HA GLU A 38 20.395 -10.650 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.258 -8.350 6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.328 -9.219 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 38 21.357 -10.907 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 38 22.220 -9.558 6.791 1.00 0.00 H new ATOM 636 N THR A 39 17.740 -11.177 7.026 1.00 0.00 N ATOM 637 CA THR A 39 16.962 -12.220 7.687 1.00 0.00 C ATOM 638 C THR A 39 15.720 -12.586 6.873 1.00 0.00 C ATOM 639 O THR A 39 14.994 -13.516 7.223 1.00 0.00 O ATOM 640 CB THR A 39 16.552 -11.767 9.088 1.00 0.00 C ATOM 641 OG1 THR A 39 16.419 -10.357 9.140 1.00 0.00 O ATOM 642 CG2 THR A 39 17.537 -12.175 10.162 1.00 0.00 C ATOM 0 H THR A 39 17.365 -10.235 7.140 1.00 0.00 H new ATOM 0 HA THR A 39 17.591 -13.107 7.766 1.00 0.00 H new ATOM 0 HB THR A 39 15.601 -12.261 9.284 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.154 -10.086 10.044 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.185 -11.822 11.131 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.625 -13.261 10.181 1.00 0.00 H new ATOM 0 HG23 THR A 39 18.511 -11.736 9.948 1.00 0.00 H new ATOM 650 N LYS A 40 15.477 -11.852 5.789 1.00 0.00 N ATOM 651 CA LYS A 40 14.322 -12.107 4.936 1.00 0.00 C ATOM 652 C LYS A 40 13.021 -11.879 5.698 1.00 0.00 C ATOM 653 O LYS A 40 12.025 -12.565 5.470 1.00 0.00 O ATOM 654 CB LYS A 40 14.368 -13.538 4.392 1.00 0.00 C ATOM 655 CG LYS A 40 15.000 -13.644 3.013 1.00 0.00 C ATOM 656 CD LYS A 40 16.424 -13.113 3.011 1.00 0.00 C ATOM 657 CE LYS A 40 16.824 -12.598 1.638 1.00 0.00 C ATOM 658 NZ LYS A 40 18.259 -12.859 1.343 1.00 0.00 N ATOM 0 H LYS A 40 16.065 -11.077 5.482 1.00 0.00 H new ATOM 0 HA LYS A 40 14.358 -11.408 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.926 -14.165 5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.354 -13.935 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.998 -14.685 2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.401 -13.086 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.515 -12.310 3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.109 -13.904 3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.205 -13.074 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.631 -11.527 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.491 -12.493 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.851 -12.384 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.439 -13.883 1.371 1.00 0.00 H new ATOM 672 N LYS A 41 13.036 -10.907 6.606 1.00 0.00 N ATOM 673 CA LYS A 41 11.857 -10.585 7.402 1.00 0.00 C ATOM 674 C LYS A 41 11.287 -9.225 7.003 1.00 0.00 C ATOM 675 O LYS A 41 12.035 -8.298 6.693 1.00 0.00 O ATOM 676 CB LYS A 41 12.205 -10.588 8.891 1.00 0.00 C ATOM 677 CG LYS A 41 12.612 -11.955 9.418 1.00 0.00 C ATOM 678 CD LYS A 41 11.745 -12.385 10.592 1.00 0.00 C ATOM 679 CE LYS A 41 12.422 -12.087 11.922 1.00 0.00 C ATOM 680 NZ LYS A 41 11.482 -12.231 13.067 1.00 0.00 N ATOM 0 H LYS A 41 13.852 -10.329 6.808 1.00 0.00 H new ATOM 0 HA LYS A 41 11.101 -11.347 7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.018 -9.883 9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.345 -10.231 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.534 -12.692 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.657 -11.930 9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.786 -11.868 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.536 -13.452 10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.267 -12.762 12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.823 -11.074 11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.981 -12.020 13.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.688 -11.569 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.119 -13.205 13.098 1.00 0.00 H new ATOM 694 N PRO A 42 9.949 -9.085 7.005 1.00 0.00 N ATOM 695 CA PRO A 42 9.287 -7.828 6.641 1.00 0.00 C ATOM 696 C PRO A 42 9.812 -6.644 7.447 1.00 0.00 C ATOM 697 O PRO A 42 9.953 -6.724 8.666 1.00 0.00 O ATOM 698 CB PRO A 42 7.815 -8.087 6.972 1.00 0.00 C ATOM 699 CG PRO A 42 7.665 -9.567 6.904 1.00 0.00 C ATOM 700 CD PRO A 42 8.978 -10.138 7.360 1.00 0.00 C ATOM 0 HA PRO A 42 9.461 -7.565 5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.560 -7.708 7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.156 -7.589 6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.849 -9.906 7.542 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.431 -9.889 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.978 -10.340 8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.203 -11.079 6.858 1.00 0.00 H new ATOM 708 N LYS A 43 10.098 -5.545 6.755 1.00 0.00 N ATOM 709 CA LYS A 43 10.607 -4.343 7.408 1.00 0.00 C ATOM 710 C LYS A 43 9.474 -3.560 8.063 1.00 0.00 C ATOM 711 O LYS A 43 9.383 -3.486 9.288 1.00 0.00 O ATOM 712 CB LYS A 43 11.338 -3.457 6.396 1.00 0.00 C ATOM 713 CG LYS A 43 12.320 -2.488 7.034 1.00 0.00 C ATOM 714 CD LYS A 43 13.498 -3.223 7.651 1.00 0.00 C ATOM 715 CE LYS A 43 14.064 -2.468 8.843 1.00 0.00 C ATOM 716 NZ LYS A 43 13.451 -2.912 10.124 1.00 0.00 N ATOM 0 H LYS A 43 9.986 -5.462 5.745 1.00 0.00 H new ATOM 0 HA LYS A 43 11.309 -4.650 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.873 -4.092 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.603 -2.892 5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.680 -1.785 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.811 -1.903 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.183 -4.218 7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.277 -3.358 6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.143 -2.615 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.893 -1.400 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.864 -2.373 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.424 -2.748 10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.635 -3.926 10.264 1.00 0.00 H new ATOM 730 N GLY A 44 8.613 -2.979 7.237 1.00 0.00 N ATOM 731 CA GLY A 44 7.495 -2.208 7.751 1.00 0.00 C ATOM 732 C GLY A 44 6.867 -1.321 6.695 1.00 0.00 C ATOM 733 O GLY A 44 6.578 -0.151 6.950 1.00 0.00 O ATOM 0 H GLY A 44 8.668 -3.027 6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.740 -2.888 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.835 -1.592 8.583 1.00 0.00 H new ATOM 737 N PHE A 45 6.651 -1.877 5.506 1.00 0.00 N ATOM 738 CA PHE A 45 6.051 -1.127 4.409 1.00 0.00 C ATOM 739 C PHE A 45 5.865 -2.012 3.181 1.00 0.00 C ATOM 740 O PHE A 45 6.377 -3.130 3.124 1.00 0.00 O ATOM 741 CB PHE A 45 6.918 0.084 4.055 1.00 0.00 C ATOM 742 CG PHE A 45 8.287 -0.281 3.558 1.00 0.00 C ATOM 743 CD1 PHE A 45 9.272 -0.693 4.442 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.591 -0.208 2.208 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.533 -1.027 3.988 1.00 0.00 C ATOM 746 CE2 PHE A 45 9.851 -0.541 1.749 1.00 0.00 C ATOM 747 CZ PHE A 45 10.824 -0.952 2.640 1.00 0.00 C ATOM 0 H PHE A 45 6.883 -2.844 5.279 1.00 0.00 H new ATOM 0 HA PHE A 45 5.071 -0.779 4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.409 0.674 3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.018 0.719 4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.051 -0.754 5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.835 0.113 1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.291 -1.347 4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.075 -0.480 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.809 -1.214 2.283 1.00 0.00 H new ATOM 757 N GLY A 46 5.130 -1.502 2.198 1.00 0.00 N ATOM 758 CA GLY A 46 4.891 -2.259 0.983 1.00 0.00 C ATOM 759 C GLY A 46 4.977 -1.399 -0.262 1.00 0.00 C ATOM 760 O GLY A 46 5.208 -0.191 -0.177 1.00 0.00 O ATOM 0 H GLY A 46 4.696 -0.579 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.619 -3.068 0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.905 -2.721 1.034 1.00 0.00 H new ATOM 764 N PHE A 47 4.792 -2.021 -1.422 1.00 0.00 N ATOM 765 CA PHE A 47 4.850 -1.306 -2.691 1.00 0.00 C ATOM 766 C PHE A 47 3.613 -1.595 -3.536 1.00 0.00 C ATOM 767 O PHE A 47 3.170 -2.740 -3.633 1.00 0.00 O ATOM 768 CB PHE A 47 6.114 -1.696 -3.462 1.00 0.00 C ATOM 769 CG PHE A 47 7.145 -0.605 -3.516 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.129 0.332 -4.538 1.00 0.00 C ATOM 771 CD2 PHE A 47 8.129 -0.515 -2.545 1.00 0.00 C ATOM 772 CE1 PHE A 47 8.076 1.336 -4.590 1.00 0.00 C ATOM 773 CE2 PHE A 47 9.080 0.488 -2.592 1.00 0.00 C ATOM 774 CZ PHE A 47 9.053 1.415 -3.615 1.00 0.00 C ATOM 0 H PHE A 47 4.601 -3.019 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 47 4.879 -0.238 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.555 -2.579 -2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.838 -1.974 -4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.368 0.276 -5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.154 -1.237 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.053 2.059 -5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.843 0.546 -1.830 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.794 2.200 -3.653 1.00 0.00 H new ATOM 784 N VAL A 48 3.061 -0.552 -4.146 1.00 0.00 N ATOM 785 CA VAL A 48 1.876 -0.694 -4.982 1.00 0.00 C ATOM 786 C VAL A 48 2.096 -0.070 -6.357 1.00 0.00 C ATOM 787 O VAL A 48 2.729 0.978 -6.479 1.00 0.00 O ATOM 788 CB VAL A 48 0.643 -0.043 -4.326 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.614 -0.352 -5.126 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.497 -0.510 -2.886 1.00 0.00 C ATOM 0 H VAL A 48 3.416 0.402 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 48 1.695 -1.763 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 48 0.784 1.038 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.474 0.116 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.506 0.037 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.764 -1.431 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.379 -0.040 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.378 -1.593 -2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.387 -0.231 -2.321 1.00 0.00 H new ATOM 800 N GLU A 49 1.570 -0.722 -7.388 1.00 0.00 N ATOM 801 CA GLU A 49 1.710 -0.231 -8.754 1.00 0.00 C ATOM 802 C GLU A 49 0.360 0.196 -9.320 1.00 0.00 C ATOM 803 O GLU A 49 -0.530 -0.630 -9.525 1.00 0.00 O ATOM 804 CB GLU A 49 2.330 -1.310 -9.644 1.00 0.00 C ATOM 805 CG GLU A 49 3.260 -0.757 -10.713 1.00 0.00 C ATOM 806 CD GLU A 49 2.775 -1.052 -12.119 1.00 0.00 C ATOM 807 OE1 GLU A 49 1.554 -0.952 -12.360 1.00 0.00 O ATOM 808 OE2 GLU A 49 3.618 -1.384 -12.979 1.00 0.00 O ATOM 0 H GLU A 49 1.043 -1.591 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 49 2.367 0.638 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.884 -2.010 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.532 -1.875 -10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.355 0.321 -10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.255 -1.182 -10.579 1.00 0.00 H new ATOM 815 N MET A 50 0.214 1.493 -9.573 1.00 0.00 N ATOM 816 CA MET A 50 -1.028 2.031 -10.116 1.00 0.00 C ATOM 817 C MET A 50 -0.748 3.203 -11.052 1.00 0.00 C ATOM 818 O MET A 50 0.406 3.577 -11.267 1.00 0.00 O ATOM 819 CB MET A 50 -1.954 2.479 -8.984 1.00 0.00 C ATOM 820 CG MET A 50 -2.559 1.323 -8.202 1.00 0.00 C ATOM 821 SD MET A 50 -3.086 1.807 -6.546 1.00 0.00 S ATOM 822 CE MET A 50 -4.432 2.924 -6.932 1.00 0.00 C ATOM 0 H MET A 50 0.940 2.190 -9.411 1.00 0.00 H new ATOM 0 HA MET A 50 -1.518 1.241 -10.685 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.396 3.118 -8.300 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.758 3.085 -9.401 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.414 0.926 -8.750 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.828 0.518 -8.126 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.174 3.931 -6.605 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.607 2.925 -8.008 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.336 2.596 -6.418 1.00 0.00 H new ATOM 832 N GLN A 51 -1.810 3.780 -11.606 1.00 0.00 N ATOM 833 CA GLN A 51 -1.677 4.909 -12.519 1.00 0.00 C ATOM 834 C GLN A 51 -1.018 6.096 -11.822 1.00 0.00 C ATOM 835 O GLN A 51 -1.130 6.255 -10.607 1.00 0.00 O ATOM 836 CB GLN A 51 -3.048 5.318 -13.061 1.00 0.00 C ATOM 837 CG GLN A 51 -2.996 5.902 -14.464 1.00 0.00 C ATOM 838 CD GLN A 51 -4.358 6.345 -14.961 1.00 0.00 C ATOM 839 OE1 GLN A 51 -5.093 7.036 -14.257 1.00 0.00 O ATOM 840 NE2 GLN A 51 -4.701 5.948 -16.181 1.00 0.00 N ATOM 0 H GLN A 51 -2.772 3.484 -11.438 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.043 4.600 -13.350 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.704 4.447 -13.063 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.492 6.051 -12.387 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.315 6.753 -14.474 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.588 5.158 -15.148 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.060 5.375 -16.730 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.606 6.216 -16.569 1.00 0.00 H new ATOM 849 N GLU A 52 -0.332 6.926 -12.600 1.00 0.00 N ATOM 850 CA GLU A 52 0.346 8.099 -12.058 1.00 0.00 C ATOM 851 C GLU A 52 -0.660 9.142 -11.585 1.00 0.00 C ATOM 852 O GLU A 52 -0.411 9.869 -10.623 1.00 0.00 O ATOM 853 CB GLU A 52 1.274 8.709 -13.110 1.00 0.00 C ATOM 854 CG GLU A 52 0.566 9.085 -14.402 1.00 0.00 C ATOM 855 CD GLU A 52 1.472 9.819 -15.371 1.00 0.00 C ATOM 856 OE1 GLU A 52 2.665 9.459 -15.458 1.00 0.00 O ATOM 857 OE2 GLU A 52 0.989 10.755 -16.042 1.00 0.00 O ATOM 0 H GLU A 52 -0.230 6.809 -13.608 1.00 0.00 H new ATOM 0 HA GLU A 52 0.939 7.779 -11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.747 9.598 -12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.070 8.000 -13.335 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.185 8.182 -14.879 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.296 9.711 -14.171 1.00 0.00 H new ATOM 864 N GLU A 53 -1.800 9.211 -12.267 1.00 0.00 N ATOM 865 CA GLU A 53 -2.844 10.166 -11.915 1.00 0.00 C ATOM 866 C GLU A 53 -3.624 9.698 -10.691 1.00 0.00 C ATOM 867 O GLU A 53 -4.133 10.510 -9.919 1.00 0.00 O ATOM 868 CB GLU A 53 -3.796 10.368 -13.096 1.00 0.00 C ATOM 869 CG GLU A 53 -3.503 11.620 -13.908 1.00 0.00 C ATOM 870 CD GLU A 53 -4.277 12.827 -13.417 1.00 0.00 C ATOM 871 OE1 GLU A 53 -5.467 12.671 -13.075 1.00 0.00 O ATOM 872 OE2 GLU A 53 -3.691 13.930 -13.375 1.00 0.00 O ATOM 0 H GLU A 53 -2.023 8.617 -13.066 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.366 11.116 -11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.738 9.499 -13.751 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.819 10.418 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.435 11.835 -13.865 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.749 11.436 -14.954 1.00 0.00 H new ATOM 879 N SER A 54 -3.714 8.383 -10.519 1.00 0.00 N ATOM 880 CA SER A 54 -4.434 7.807 -9.388 1.00 0.00 C ATOM 881 C SER A 54 -3.643 7.973 -8.094 1.00 0.00 C ATOM 882 O SER A 54 -4.221 8.123 -7.019 1.00 0.00 O ATOM 883 CB SER A 54 -4.717 6.325 -9.639 1.00 0.00 C ATOM 884 OG SER A 54 -5.546 6.149 -10.775 1.00 0.00 O ATOM 0 H SER A 54 -3.298 7.696 -11.148 1.00 0.00 H new ATOM 0 HA SER A 54 -5.380 8.339 -9.284 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.778 5.792 -9.784 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.198 5.890 -8.763 1.00 0.00 H new ATOM 0 HG SER A 54 -5.711 5.193 -10.915 1.00 0.00 H new ATOM 890 N VAL A 55 -2.319 7.943 -8.206 1.00 0.00 N ATOM 891 CA VAL A 55 -1.450 8.088 -7.044 1.00 0.00 C ATOM 892 C VAL A 55 -1.732 9.389 -6.300 1.00 0.00 C ATOM 893 O VAL A 55 -1.900 9.394 -5.080 1.00 0.00 O ATOM 894 CB VAL A 55 0.037 8.053 -7.446 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.924 8.005 -6.211 1.00 0.00 C ATOM 896 CG2 VAL A 55 0.317 6.869 -8.360 1.00 0.00 C ATOM 0 H VAL A 55 -1.825 7.820 -9.090 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.663 7.245 -6.387 1.00 0.00 H new ATOM 0 HB VAL A 55 0.267 8.967 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.970 7.981 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.744 8.889 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.694 7.111 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.372 6.862 -8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.070 5.943 -7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.290 6.954 -9.261 1.00 0.00 H new ATOM 906 N SER A 56 -1.784 10.491 -7.042 1.00 0.00 N ATOM 907 CA SER A 56 -2.044 11.802 -6.453 1.00 0.00 C ATOM 908 C SER A 56 -3.316 11.782 -5.609 1.00 0.00 C ATOM 909 O SER A 56 -3.274 12.008 -4.400 1.00 0.00 O ATOM 910 CB SER A 56 -2.164 12.861 -7.550 1.00 0.00 C ATOM 911 OG SER A 56 -1.270 12.594 -8.617 1.00 0.00 O ATOM 0 H SER A 56 -1.650 10.503 -8.053 1.00 0.00 H new ATOM 0 HA SER A 56 -1.205 12.052 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.187 12.885 -7.926 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.954 13.846 -7.133 1.00 0.00 H new ATOM 0 HG SER A 56 -1.367 13.284 -9.306 1.00 0.00 H new ATOM 917 N GLU A 57 -4.444 11.511 -6.256 1.00 0.00 N ATOM 918 CA GLU A 57 -5.727 11.462 -5.572 1.00 0.00 C ATOM 919 C GLU A 57 -5.749 10.347 -4.530 1.00 0.00 C ATOM 920 O GLU A 57 -6.444 10.443 -3.518 1.00 0.00 O ATOM 921 CB GLU A 57 -6.850 11.248 -6.585 1.00 0.00 C ATOM 922 CG GLU A 57 -6.562 10.142 -7.588 1.00 0.00 C ATOM 923 CD GLU A 57 -7.810 9.667 -8.306 1.00 0.00 C ATOM 924 OE1 GLU A 57 -8.426 10.480 -9.026 1.00 0.00 O ATOM 925 OE2 GLU A 57 -8.170 8.482 -8.149 1.00 0.00 O ATOM 0 H GLU A 57 -4.494 11.321 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.877 12.413 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.770 11.012 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.024 12.179 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.840 10.501 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.101 9.300 -7.072 1.00 0.00 H new ATOM 932 N ALA A 58 -4.987 9.290 -4.787 1.00 0.00 N ATOM 933 CA ALA A 58 -4.921 8.154 -3.876 1.00 0.00 C ATOM 934 C ALA A 58 -4.268 8.539 -2.552 1.00 0.00 C ATOM 935 O ALA A 58 -4.702 8.107 -1.491 1.00 0.00 O ATOM 936 CB ALA A 58 -4.167 7.004 -4.523 1.00 0.00 C ATOM 0 H ALA A 58 -4.406 9.196 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.941 7.835 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.125 6.162 -3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.680 6.700 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.154 7.324 -4.767 1.00 0.00 H new ATOM 942 N ILE A 59 -3.221 9.352 -2.627 1.00 0.00 N ATOM 943 CA ILE A 59 -2.501 9.798 -1.437 1.00 0.00 C ATOM 944 C ILE A 59 -3.098 11.095 -0.890 1.00 0.00 C ATOM 945 O ILE A 59 -2.952 11.410 0.291 1.00 0.00 O ATOM 946 CB ILE A 59 -1.001 10.011 -1.756 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.379 8.704 -2.244 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.240 10.533 -0.543 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.640 8.894 -3.347 1.00 0.00 C ATOM 0 H ILE A 59 -2.849 9.718 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.599 9.020 -0.679 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.929 10.762 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.098 8.202 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.171 8.045 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.809 10.671 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.664 11.487 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.320 9.815 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.040 7.924 -3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.163 9.368 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.452 9.527 -2.988 1.00 0.00 H new ATOM 961 N ALA A 60 -3.760 11.845 -1.762 1.00 0.00 N ATOM 962 CA ALA A 60 -4.368 13.115 -1.388 1.00 0.00 C ATOM 963 C ALA A 60 -5.436 12.961 -0.306 1.00 0.00 C ATOM 964 O ALA A 60 -5.404 13.653 0.711 1.00 0.00 O ATOM 965 CB ALA A 60 -4.970 13.777 -2.616 1.00 0.00 C ATOM 0 H ALA A 60 -3.890 11.592 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.578 13.741 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.424 14.726 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.188 13.955 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.731 13.125 -3.045 1.00 0.00 H new ATOM 971 N LYS A 61 -6.397 12.072 -0.541 1.00 0.00 N ATOM 972 CA LYS A 61 -7.487 11.861 0.408 1.00 0.00 C ATOM 973 C LYS A 61 -7.158 10.776 1.425 1.00 0.00 C ATOM 974 O LYS A 61 -7.735 10.741 2.513 1.00 0.00 O ATOM 975 CB LYS A 61 -8.770 11.493 -0.341 1.00 0.00 C ATOM 976 CG LYS A 61 -9.569 12.700 -0.807 1.00 0.00 C ATOM 977 CD LYS A 61 -8.821 13.485 -1.872 1.00 0.00 C ATOM 978 CE LYS A 61 -9.753 14.406 -2.642 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.039 15.142 -3.722 1.00 0.00 N ATOM 0 H LYS A 61 -6.444 11.488 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.630 12.794 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.513 10.881 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.397 10.881 0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.530 12.371 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.780 13.348 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.031 14.073 -1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.338 12.794 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.564 13.821 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.207 15.120 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.709 15.759 -4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.281 15.720 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.627 14.462 -4.392 1.00 0.00 H new ATOM 993 N LEU A 62 -6.246 9.883 1.067 1.00 0.00 N ATOM 994 CA LEU A 62 -5.869 8.791 1.955 1.00 0.00 C ATOM 995 C LEU A 62 -4.785 9.214 2.940 1.00 0.00 C ATOM 996 O LEU A 62 -5.056 9.420 4.123 1.00 0.00 O ATOM 997 CB LEU A 62 -5.396 7.599 1.131 1.00 0.00 C ATOM 998 CG LEU A 62 -6.449 7.006 0.194 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.898 5.784 -0.525 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.710 6.651 0.967 1.00 0.00 C ATOM 0 H LEU A 62 -5.755 9.892 0.173 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.747 8.509 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.534 7.905 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.055 6.818 1.811 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.705 7.756 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.662 5.376 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.025 6.070 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.612 5.029 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.449 6.230 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.470 5.919 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.116 7.549 1.433 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.555 9.331 2.451 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.428 9.717 3.293 1.00 0.00 C ATOM 1014 C ASP A 63 -2.727 11.004 4.064 1.00 0.00 C ATOM 1015 O ASP A 63 -3.229 11.976 3.500 1.00 0.00 O ATOM 1016 CB ASP A 63 -1.161 9.864 2.437 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.591 11.274 2.430 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.290 12.196 1.960 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.555 11.453 2.894 1.00 0.00 O ATOM 0 H ASP A 63 -3.313 9.164 1.474 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.261 8.931 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.401 9.176 2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.388 9.568 1.413 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.414 10.996 5.356 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.644 12.157 6.209 1.00 0.00 C ATOM 1026 C ASN A 64 -2.216 11.869 7.645 1.00 0.00 C ATOM 1027 O ASN A 64 -1.661 12.734 8.323 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.121 12.559 6.175 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.308 14.059 6.066 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.430 14.604 4.969 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -4.333 14.737 7.209 1.00 0.00 N ATOM 0 H ASN A 64 -2.000 10.197 5.836 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.042 12.982 5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.608 12.072 5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.614 12.199 7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.457 15.749 7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.228 14.245 8.096 1.00 0.00 H new ATOM 1038 N THR A 65 -2.477 10.649 8.102 1.00 0.00 N ATOM 1039 CA THR A 65 -2.119 10.247 9.458 1.00 0.00 C ATOM 1040 C THR A 65 -1.765 8.762 9.507 1.00 0.00 C ATOM 1041 O THR A 65 -1.551 8.132 8.473 1.00 0.00 O ATOM 1042 CB THR A 65 -3.268 10.547 10.423 1.00 0.00 C ATOM 1043 OG1 THR A 65 -4.223 11.402 9.820 1.00 0.00 O ATOM 1044 CG2 THR A 65 -2.813 11.203 11.709 1.00 0.00 C ATOM 0 H THR A 65 -2.935 9.921 7.554 1.00 0.00 H new ATOM 0 HA THR A 65 -1.244 10.820 9.763 1.00 0.00 H new ATOM 0 HB THR A 65 -3.703 9.577 10.662 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.949 11.580 10.454 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.676 11.389 12.348 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.114 10.545 12.225 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.321 12.148 11.481 1.00 0.00 H new ATOM 1052 N ASP A 66 -1.707 8.211 10.716 1.00 0.00 N ATOM 1053 CA ASP A 66 -1.381 6.802 10.898 1.00 0.00 C ATOM 1054 C ASP A 66 -2.520 6.065 11.597 1.00 0.00 C ATOM 1055 O ASP A 66 -2.628 6.090 12.824 1.00 0.00 O ATOM 1056 CB ASP A 66 -0.090 6.655 11.706 1.00 0.00 C ATOM 1057 CG ASP A 66 0.792 5.536 11.189 1.00 0.00 C ATOM 1058 OD1 ASP A 66 0.944 5.422 9.955 1.00 0.00 O ATOM 1059 OD2 ASP A 66 1.331 4.774 12.019 1.00 0.00 O ATOM 0 H ASP A 66 -1.882 8.719 11.583 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.237 6.359 9.913 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.463 7.594 11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.338 6.465 12.750 1.00 0.00 H new ATOM 1064 N PHE A 67 -3.367 5.411 10.810 1.00 0.00 N ATOM 1065 CA PHE A 67 -4.499 4.668 11.354 1.00 0.00 C ATOM 1066 C PHE A 67 -4.349 3.173 11.081 1.00 0.00 C ATOM 1067 O PHE A 67 -3.269 2.704 10.720 1.00 0.00 O ATOM 1068 CB PHE A 67 -5.809 5.184 10.753 1.00 0.00 C ATOM 1069 CG PHE A 67 -6.880 5.438 11.776 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -6.744 6.461 12.700 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -8.022 4.654 11.813 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -7.728 6.698 13.642 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -9.008 4.885 12.752 1.00 0.00 C ATOM 1074 CZ PHE A 67 -8.861 5.909 13.668 1.00 0.00 C ATOM 0 H PHE A 67 -3.292 5.380 9.793 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.520 4.820 12.433 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.611 6.108 10.209 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -6.176 4.459 10.027 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.859 7.080 12.684 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.142 3.853 11.099 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.611 7.499 14.357 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.893 4.266 12.770 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.631 6.092 14.403 1.00 0.00 H new ATOM 1084 N MET A 68 -5.438 2.431 11.257 1.00 0.00 N ATOM 1085 CA MET A 68 -5.426 0.990 11.031 1.00 0.00 C ATOM 1086 C MET A 68 -5.952 0.649 9.640 1.00 0.00 C ATOM 1087 O MET A 68 -6.628 -0.362 9.451 1.00 0.00 O ATOM 1088 CB MET A 68 -6.265 0.279 12.094 1.00 0.00 C ATOM 1089 CG MET A 68 -5.481 -0.089 13.344 1.00 0.00 C ATOM 1090 SD MET A 68 -4.644 -1.678 13.194 1.00 0.00 S ATOM 1091 CE MET A 68 -3.070 -1.170 12.507 1.00 0.00 C ATOM 0 H MET A 68 -6.339 2.804 11.555 1.00 0.00 H new ATOM 0 HA MET A 68 -4.394 0.647 11.102 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.100 0.921 12.375 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.691 -0.627 11.663 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.744 0.688 13.548 1.00 0.00 H new ATOM 0 HG3 MET A 68 -6.158 -0.118 14.198 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.267 -1.734 12.982 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.063 -1.361 11.434 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.921 -0.105 12.687 1.00 0.00 H new ATOM 1101 N GLY A 69 -5.637 1.500 8.668 1.00 0.00 N ATOM 1102 CA GLY A 69 -6.086 1.270 7.307 1.00 0.00 C ATOM 1103 C GLY A 69 -7.117 2.285 6.855 1.00 0.00 C ATOM 1104 O GLY A 69 -7.957 1.988 6.005 1.00 0.00 O ATOM 0 H GLY A 69 -5.079 2.344 8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.229 1.304 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.510 0.269 7.232 1.00 0.00 H new ATOM 1108 N ARG A 70 -7.054 3.484 7.423 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.990 4.547 7.073 1.00 0.00 C ATOM 1110 C ARG A 70 -7.286 5.665 6.310 1.00 0.00 C ATOM 1111 O ARG A 70 -7.887 6.326 5.463 1.00 0.00 O ATOM 1112 CB ARG A 70 -8.650 5.110 8.333 1.00 0.00 C ATOM 1113 CG ARG A 70 -10.087 5.556 8.120 1.00 0.00 C ATOM 1114 CD ARG A 70 -10.941 5.292 9.349 1.00 0.00 C ATOM 1115 NE ARG A 70 -11.705 4.053 9.231 1.00 0.00 N ATOM 1116 CZ ARG A 70 -12.770 3.763 9.974 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -13.201 4.621 10.892 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -13.408 2.614 9.800 1.00 0.00 N ATOM 0 H ARG A 70 -6.365 3.745 8.128 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.759 4.121 6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.626 4.351 9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.065 5.957 8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.107 6.620 7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.509 5.031 7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.301 5.241 10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.626 6.127 9.500 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.404 3.369 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.715 5.507 11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.018 4.394 11.459 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.083 1.951 9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.224 2.393 10.370 1.00 0.00 H new ATOM 1132 N THR A 71 -6.009 5.870 6.616 1.00 0.00 N ATOM 1133 CA THR A 71 -5.223 6.908 5.958 1.00 0.00 C ATOM 1134 C THR A 71 -3.802 6.424 5.682 1.00 0.00 C ATOM 1135 O THR A 71 -3.343 6.438 4.540 1.00 0.00 O ATOM 1136 CB THR A 71 -5.188 8.177 6.813 1.00 0.00 C ATOM 1137 OG1 THR A 71 -4.142 9.036 6.397 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.996 7.907 8.291 1.00 0.00 C ATOM 0 H THR A 71 -5.497 5.332 7.315 1.00 0.00 H new ATOM 0 HA THR A 71 -5.700 7.137 5.005 1.00 0.00 H new ATOM 0 HB THR A 71 -6.164 8.641 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.127 9.084 5.418 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.981 8.852 8.835 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.816 7.290 8.658 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.052 7.384 8.446 1.00 0.00 H new ATOM 1146 N ILE A 72 -3.110 5.997 6.734 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.742 5.510 6.600 1.00 0.00 C ATOM 1148 C ILE A 72 -0.829 6.591 6.033 1.00 0.00 C ATOM 1149 O ILE A 72 -1.295 7.549 5.417 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.671 4.268 5.690 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.760 3.262 6.071 1.00 0.00 C ATOM 1152 CG2 ILE A 72 -0.296 3.624 5.776 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.985 2.190 5.027 1.00 0.00 C ATOM 0 H ILE A 72 -3.474 5.978 7.687 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.405 5.237 7.600 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.840 4.584 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.491 2.788 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.695 3.797 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.263 2.749 5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.462 4.340 5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.100 3.321 6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.770 1.513 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.285 2.654 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.062 1.629 4.876 1.00 0.00 H new ATOM 1165 N ARG A 73 0.474 6.432 6.242 1.00 0.00 N ATOM 1166 CA ARG A 73 1.449 7.397 5.747 1.00 0.00 C ATOM 1167 C ARG A 73 1.904 7.032 4.337 1.00 0.00 C ATOM 1168 O ARG A 73 3.100 6.908 4.071 1.00 0.00 O ATOM 1169 CB ARG A 73 2.654 7.461 6.689 1.00 0.00 C ATOM 1170 CG ARG A 73 3.351 8.811 6.694 1.00 0.00 C ATOM 1171 CD ARG A 73 3.906 9.145 8.069 1.00 0.00 C ATOM 1172 NE ARG A 73 4.716 10.360 8.053 1.00 0.00 N ATOM 1173 CZ ARG A 73 4.213 11.585 7.920 1.00 0.00 C ATOM 1174 NH1 ARG A 73 2.903 11.762 7.790 1.00 0.00 N ATOM 1175 NH2 ARG A 73 5.020 12.637 7.916 1.00 0.00 N ATOM 0 H ARG A 73 0.879 5.645 6.750 1.00 0.00 H new ATOM 0 HA ARG A 73 0.973 8.377 5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.326 7.227 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.371 6.692 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.161 8.806 5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.649 9.586 6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.082 9.268 8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.510 8.312 8.428 1.00 0.00 H new ATOM 0 HE ARG A 73 5.727 10.264 8.149 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.277 10.957 7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.523 12.703 7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.027 12.508 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.634 13.576 7.814 1.00 0.00 H new ATOM 1189 N VAL A 74 0.941 6.858 3.438 1.00 0.00 N ATOM 1190 CA VAL A 74 1.241 6.505 2.055 1.00 0.00 C ATOM 1191 C VAL A 74 1.788 7.703 1.286 1.00 0.00 C ATOM 1192 O VAL A 74 1.548 8.853 1.654 1.00 0.00 O ATOM 1193 CB VAL A 74 -0.008 5.964 1.331 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.098 7.025 1.271 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.350 5.479 -0.066 1.00 0.00 C ATOM 0 H VAL A 74 -0.054 6.956 3.642 1.00 0.00 H new ATOM 0 HA VAL A 74 2.000 5.723 2.085 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.391 5.116 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.970 6.622 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.377 7.317 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.728 7.896 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.545 5.101 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.762 6.306 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.090 4.682 0.004 1.00 0.00 H new ATOM 1205 N THR A 75 2.525 7.424 0.214 1.00 0.00 N ATOM 1206 CA THR A 75 3.107 8.478 -0.609 1.00 0.00 C ATOM 1207 C THR A 75 3.862 7.885 -1.795 1.00 0.00 C ATOM 1208 O THR A 75 4.429 6.797 -1.702 1.00 0.00 O ATOM 1209 CB THR A 75 4.049 9.346 0.227 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.691 10.313 -0.585 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.127 8.551 0.932 1.00 0.00 C ATOM 0 H THR A 75 2.733 6.477 -0.104 1.00 0.00 H new ATOM 0 HA THR A 75 2.295 9.098 -0.989 1.00 0.00 H new ATOM 0 HB THR A 75 3.417 9.818 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.288 10.860 -0.033 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.760 9.227 1.507 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.665 7.827 1.603 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.733 8.026 0.194 1.00 0.00 H new ATOM 1219 N GLU A 76 3.864 8.608 -2.910 1.00 0.00 N ATOM 1220 CA GLU A 76 4.550 8.154 -4.115 1.00 0.00 C ATOM 1221 C GLU A 76 6.047 8.003 -3.865 1.00 0.00 C ATOM 1222 O GLU A 76 6.698 8.919 -3.363 1.00 0.00 O ATOM 1223 CB GLU A 76 4.309 9.135 -5.263 1.00 0.00 C ATOM 1224 CG GLU A 76 4.729 10.561 -4.944 1.00 0.00 C ATOM 1225 CD GLU A 76 3.794 11.592 -5.546 1.00 0.00 C ATOM 1226 OE1 GLU A 76 2.621 11.652 -5.118 1.00 0.00 O ATOM 1227 OE2 GLU A 76 4.234 12.339 -6.444 1.00 0.00 O ATOM 0 H GLU A 76 3.398 9.511 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 76 4.146 7.179 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.854 8.793 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.250 9.126 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.762 10.693 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.739 10.730 -5.317 1.00 0.00 H new ATOM 1234 N ALA A 77 6.586 6.841 -4.217 1.00 0.00 N ATOM 1235 CA ALA A 77 8.006 6.569 -4.032 1.00 0.00 C ATOM 1236 C ALA A 77 8.858 7.454 -4.935 1.00 0.00 C ATOM 1237 O ALA A 77 9.374 8.479 -4.443 1.00 0.00 O ATOM 1238 CB ALA A 77 8.301 5.100 -4.299 1.00 0.00 C ATOM 0 H ALA A 77 6.060 6.072 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 77 8.262 6.798 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.365 4.911 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.727 4.482 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.022 4.853 -5.323 1.00 0.00 H new