USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0627 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 55:sc= 1.24 USER MOD Single : A 5 SER OG : rot 180:sc= -0.139 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 8 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.082) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.74 K(o=-2.7,f=-4.5!) USER MOD Single : A 13 GLN : amide:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 39:sc= 0.167 USER MOD Single : A 17 LYS NZ :NH3+ 157:sc= -0.0393 (180deg=-0.355) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= -0.0805 (180deg=-0.462) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0226 (180deg=-0.3) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0516 K(o=-0.052,f=-0.86) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.38) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.029 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 94:sc= 1.18 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -59:sc= 0.0286 USER MOD Single : A 60 SER OG : rot 23:sc= 0.282! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.840 -9.272 -11.793 1.00 0.00 N ATOM 2 CA GLY A 1 -35.527 -8.142 -10.937 1.00 0.00 C ATOM 3 C GLY A 1 -34.035 -7.927 -10.784 1.00 0.00 C ATOM 4 O GLY A 1 -33.240 -8.827 -11.057 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.119 -8.928 -12.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.003 -9.883 -11.882 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.623 -9.816 -11.377 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.980 -7.241 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.971 -8.301 -9.954 1.00 0.00 H new ATOM 8 N SER A 2 -33.652 -6.731 -10.349 1.00 0.00 N ATOM 9 CA SER A 2 -32.244 -6.398 -10.166 1.00 0.00 C ATOM 10 C SER A 2 -32.047 -5.535 -8.923 1.00 0.00 C ATOM 11 O SER A 2 -33.007 -5.008 -8.361 1.00 0.00 O ATOM 12 CB SER A 2 -31.707 -5.667 -11.399 1.00 0.00 C ATOM 13 OG SER A 2 -32.088 -4.302 -11.389 1.00 0.00 O ATOM 0 H SER A 2 -34.297 -5.976 -10.117 1.00 0.00 H new ATOM 0 HA SER A 2 -31.690 -7.327 -10.033 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.620 -5.744 -11.427 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.084 -6.146 -12.303 1.00 0.00 H new ATOM 0 HG SER A 2 -31.731 -3.857 -12.186 1.00 0.00 H new ATOM 19 N SER A 3 -30.795 -5.396 -8.500 1.00 0.00 N ATOM 20 CA SER A 3 -30.470 -4.601 -7.321 1.00 0.00 C ATOM 21 C SER A 3 -28.962 -4.415 -7.190 1.00 0.00 C ATOM 22 O SER A 3 -28.185 -5.001 -7.943 1.00 0.00 O ATOM 23 CB SER A 3 -31.025 -5.269 -6.061 1.00 0.00 C ATOM 24 OG SER A 3 -32.356 -4.854 -5.808 1.00 0.00 O ATOM 0 H SER A 3 -29.989 -5.823 -8.956 1.00 0.00 H new ATOM 0 HA SER A 3 -30.930 -3.620 -7.436 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.994 -6.352 -6.176 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.395 -5.021 -5.207 1.00 0.00 H new ATOM 0 HG SER A 3 -32.906 -5.018 -6.602 1.00 0.00 H new ATOM 30 N GLY A 4 -28.555 -3.593 -6.227 1.00 0.00 N ATOM 31 CA GLY A 4 -27.141 -3.343 -6.014 1.00 0.00 C ATOM 32 C GLY A 4 -26.893 -2.248 -4.997 1.00 0.00 C ATOM 33 O GLY A 4 -27.716 -1.347 -4.831 1.00 0.00 O ATOM 0 H GLY A 4 -29.179 -3.096 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.659 -4.262 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.677 -3.067 -6.961 1.00 0.00 H new ATOM 37 N SER A 5 -25.756 -2.324 -4.312 1.00 0.00 N ATOM 38 CA SER A 5 -25.405 -1.334 -3.301 1.00 0.00 C ATOM 39 C SER A 5 -23.930 -1.441 -2.926 1.00 0.00 C ATOM 40 O SER A 5 -23.244 -2.382 -3.322 1.00 0.00 O ATOM 41 CB SER A 5 -26.274 -1.515 -2.055 1.00 0.00 C ATOM 42 OG SER A 5 -26.070 -0.459 -1.132 1.00 0.00 O ATOM 0 H SER A 5 -25.062 -3.061 -4.439 1.00 0.00 H new ATOM 0 HA SER A 5 -25.585 -0.344 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.325 -1.552 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.040 -2.468 -1.580 1.00 0.00 H new ATOM 0 HG SER A 5 -26.638 -0.598 -0.346 1.00 0.00 H new ATOM 48 N SER A 6 -23.449 -0.467 -2.159 1.00 0.00 N ATOM 49 CA SER A 6 -22.055 -0.448 -1.732 1.00 0.00 C ATOM 50 C SER A 6 -21.878 0.424 -0.493 1.00 0.00 C ATOM 51 O SER A 6 -22.691 1.304 -0.218 1.00 0.00 O ATOM 52 CB SER A 6 -21.161 0.065 -2.863 1.00 0.00 C ATOM 53 OG SER A 6 -19.796 0.044 -2.482 1.00 0.00 O ATOM 0 H SER A 6 -24.004 0.319 -1.821 1.00 0.00 H new ATOM 0 HA SER A 6 -21.763 -1.468 -1.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.304 -0.550 -3.751 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.452 1.081 -3.129 1.00 0.00 H new ATOM 0 HG SER A 6 -19.245 0.375 -3.222 1.00 0.00 H new ATOM 59 N GLY A 7 -20.806 0.171 0.253 1.00 0.00 N ATOM 60 CA GLY A 7 -20.540 0.940 1.454 1.00 0.00 C ATOM 61 C GLY A 7 -19.124 0.753 1.961 1.00 0.00 C ATOM 62 O GLY A 7 -18.298 0.130 1.295 1.00 0.00 O ATOM 0 H GLY A 7 -20.118 -0.553 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.713 1.997 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.243 0.646 2.233 1.00 0.00 H new ATOM 66 N GLN A 8 -18.843 1.296 3.141 1.00 0.00 N ATOM 67 CA GLN A 8 -17.515 1.187 3.734 1.00 0.00 C ATOM 68 C GLN A 8 -17.604 1.089 5.254 1.00 0.00 C ATOM 69 O GLN A 8 -18.455 1.710 5.891 1.00 0.00 O ATOM 70 CB GLN A 8 -16.657 2.390 3.338 1.00 0.00 C ATOM 71 CG GLN A 8 -16.035 2.264 1.957 1.00 0.00 C ATOM 72 CD GLN A 8 -14.847 1.323 1.935 1.00 0.00 C ATOM 73 OE1 GLN A 8 -13.707 1.737 2.152 1.00 0.00 O ATOM 74 NE2 GLN A 8 -15.106 0.048 1.672 1.00 0.00 N ATOM 0 H GLN A 8 -19.516 1.815 3.705 1.00 0.00 H new ATOM 0 HA GLN A 8 -17.049 0.277 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -17.271 3.290 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.864 2.518 4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.789 1.908 1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.719 3.249 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.065 -0.252 1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.346 -0.632 1.644 1.00 0.00 H new ATOM 83 N PRO A 9 -16.706 0.291 5.849 1.00 0.00 N ATOM 84 CA PRO A 9 -16.662 0.094 7.301 1.00 0.00 C ATOM 85 C PRO A 9 -16.192 1.341 8.042 1.00 0.00 C ATOM 86 O PRO A 9 -15.950 2.383 7.434 1.00 0.00 O ATOM 87 CB PRO A 9 -15.653 -1.044 7.474 1.00 0.00 C ATOM 88 CG PRO A 9 -14.781 -0.963 6.269 1.00 0.00 C ATOM 89 CD PRO A 9 -15.663 -0.479 5.152 1.00 0.00 C ATOM 0 HA PRO A 9 -17.647 -0.125 7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.075 -0.924 8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.153 -2.010 7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.949 -0.278 6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.350 -1.936 6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.112 0.140 4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.087 -1.309 4.586 1.00 0.00 H new ATOM 97 N THR A 10 -16.064 1.227 9.361 1.00 0.00 N ATOM 98 CA THR A 10 -15.623 2.345 10.185 1.00 0.00 C ATOM 99 C THR A 10 -14.259 2.066 10.806 1.00 0.00 C ATOM 100 O THR A 10 -14.164 1.656 11.962 1.00 0.00 O ATOM 101 CB THR A 10 -16.633 2.648 11.308 1.00 0.00 C ATOM 102 OG1 THR A 10 -16.109 3.657 12.179 1.00 0.00 O ATOM 103 CG2 THR A 10 -16.945 1.392 12.108 1.00 0.00 C ATOM 0 H THR A 10 -16.260 0.371 9.881 1.00 0.00 H new ATOM 0 HA THR A 10 -15.550 3.212 9.528 1.00 0.00 H new ATOM 0 HB THR A 10 -17.555 3.007 10.851 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.758 3.845 12.889 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.660 1.630 12.895 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.371 0.636 11.448 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.028 1.008 12.555 1.00 0.00 H new ATOM 111 N ALA A 11 -13.203 2.293 10.030 1.00 0.00 N ATOM 112 CA ALA A 11 -11.844 2.068 10.505 1.00 0.00 C ATOM 113 C ALA A 11 -10.824 2.720 9.577 1.00 0.00 C ATOM 114 O ALA A 11 -10.864 2.526 8.363 1.00 0.00 O ATOM 115 CB ALA A 11 -11.568 0.577 10.632 1.00 0.00 C ATOM 0 H ALA A 11 -13.264 2.632 9.070 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.749 2.528 11.489 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.549 0.425 10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.269 0.136 11.340 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.688 0.101 9.659 1.00 0.00 H new ATOM 121 N GLN A 12 -9.912 3.493 10.158 1.00 0.00 N ATOM 122 CA GLN A 12 -8.882 4.174 9.382 1.00 0.00 C ATOM 123 C GLN A 12 -7.878 4.866 10.298 1.00 0.00 C ATOM 124 O GLN A 12 -8.260 5.546 11.250 1.00 0.00 O ATOM 125 CB GLN A 12 -9.518 5.196 8.438 1.00 0.00 C ATOM 126 CG GLN A 12 -10.365 6.237 9.151 1.00 0.00 C ATOM 127 CD GLN A 12 -11.718 5.699 9.573 1.00 0.00 C ATOM 128 OE1 GLN A 12 -11.870 5.161 10.671 1.00 0.00 O ATOM 129 NE2 GLN A 12 -12.711 5.841 8.703 1.00 0.00 N ATOM 0 H GLN A 12 -9.865 3.663 11.163 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.352 3.426 8.793 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.730 5.701 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.138 4.671 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.830 6.595 10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.508 7.095 8.494 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.541 6.293 7.804 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.644 5.498 8.933 1.00 0.00 H new ATOM 138 N GLN A 13 -6.595 4.686 10.004 1.00 0.00 N ATOM 139 CA GLN A 13 -5.536 5.293 10.802 1.00 0.00 C ATOM 140 C GLN A 13 -4.933 6.495 10.083 1.00 0.00 C ATOM 141 O GLN A 13 -4.852 6.519 8.855 1.00 0.00 O ATOM 142 CB GLN A 13 -4.445 4.265 11.107 1.00 0.00 C ATOM 143 CG GLN A 13 -3.441 4.733 12.148 1.00 0.00 C ATOM 144 CD GLN A 13 -3.908 4.474 13.567 1.00 0.00 C ATOM 145 OE1 GLN A 13 -4.213 5.405 14.313 1.00 0.00 O ATOM 146 NE2 GLN A 13 -3.967 3.203 13.947 1.00 0.00 N ATOM 0 H GLN A 13 -6.263 4.125 9.219 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.974 5.636 11.739 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.913 3.344 11.454 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.915 4.026 10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.490 4.226 11.984 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.259 5.800 12.018 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.705 2.463 13.296 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.275 2.966 14.890 1.00 0.00 H new ATOM 155 N GLN A 14 -4.510 7.490 10.856 1.00 0.00 N ATOM 156 CA GLN A 14 -3.915 8.696 10.292 1.00 0.00 C ATOM 157 C GLN A 14 -2.596 9.026 10.983 1.00 0.00 C ATOM 158 O GLN A 14 -2.314 10.187 11.283 1.00 0.00 O ATOM 159 CB GLN A 14 -4.881 9.875 10.420 1.00 0.00 C ATOM 160 CG GLN A 14 -5.289 10.175 11.853 1.00 0.00 C ATOM 161 CD GLN A 14 -6.579 10.966 11.939 1.00 0.00 C ATOM 162 OE1 GLN A 14 -7.659 10.448 11.656 1.00 0.00 O ATOM 163 NE2 GLN A 14 -6.473 12.230 12.333 1.00 0.00 N ATOM 0 H GLN A 14 -4.568 7.485 11.874 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.715 8.513 9.236 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.417 10.762 9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.775 9.667 9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.405 9.238 12.397 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.492 10.733 12.345 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.557 12.619 12.558 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.307 12.812 12.411 1.00 0.00 H new ATOM 172 N LEU A 15 -1.791 7.999 11.234 1.00 0.00 N ATOM 173 CA LEU A 15 -0.501 8.181 11.890 1.00 0.00 C ATOM 174 C LEU A 15 0.609 8.376 10.863 1.00 0.00 C ATOM 175 O LEU A 15 1.354 9.356 10.916 1.00 0.00 O ATOM 176 CB LEU A 15 -0.185 6.976 12.778 1.00 0.00 C ATOM 177 CG LEU A 15 0.681 7.256 14.006 1.00 0.00 C ATOM 178 CD1 LEU A 15 1.954 7.987 13.607 1.00 0.00 C ATOM 179 CD2 LEU A 15 -0.098 8.061 15.036 1.00 0.00 C ATOM 0 H LEU A 15 -2.009 7.032 10.993 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.558 9.076 12.509 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.126 6.541 13.114 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.315 6.223 12.169 1.00 0.00 H new ATOM 0 HG LEU A 15 0.960 6.303 14.455 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.558 8.178 14.494 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.522 7.374 12.907 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.696 8.934 13.133 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.534 8.251 15.903 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.408 9.010 14.598 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.980 7.500 15.346 1.00 0.00 H new ATOM 191 N THR A 16 0.715 7.438 9.927 1.00 0.00 N ATOM 192 CA THR A 16 1.733 7.508 8.887 1.00 0.00 C ATOM 193 C THR A 16 1.165 7.101 7.533 1.00 0.00 C ATOM 194 O THR A 16 0.629 6.003 7.376 1.00 0.00 O ATOM 195 CB THR A 16 2.937 6.605 9.218 1.00 0.00 C ATOM 196 OG1 THR A 16 2.488 5.276 9.506 1.00 0.00 O ATOM 197 CG2 THR A 16 3.713 7.152 10.407 1.00 0.00 C ATOM 0 H THR A 16 0.108 6.621 9.868 1.00 0.00 H new ATOM 0 HA THR A 16 2.067 8.545 8.841 1.00 0.00 H new ATOM 0 HB THR A 16 3.597 6.585 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.755 5.040 8.900 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.558 6.498 10.622 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.078 8.152 10.174 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.059 7.198 11.278 1.00 0.00 H new ATOM 205 N LYS A 17 1.285 7.992 6.554 1.00 0.00 N ATOM 206 CA LYS A 17 0.784 7.725 5.211 1.00 0.00 C ATOM 207 C LYS A 17 1.706 6.762 4.468 1.00 0.00 C ATOM 208 O LYS A 17 2.928 6.798 4.613 1.00 0.00 O ATOM 209 CB LYS A 17 0.654 9.032 4.424 1.00 0.00 C ATOM 210 CG LYS A 17 1.987 9.610 3.982 1.00 0.00 C ATOM 211 CD LYS A 17 2.720 10.269 5.138 1.00 0.00 C ATOM 212 CE LYS A 17 3.606 11.409 4.659 1.00 0.00 C ATOM 213 NZ LYS A 17 2.807 12.555 4.145 1.00 0.00 N ATOM 0 H LYS A 17 1.725 8.905 6.666 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.199 7.263 5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.034 8.857 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.135 9.767 5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.607 8.818 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.823 10.341 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.997 10.648 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.328 9.527 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.239 11.747 5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.269 11.048 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.375 13.425 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.537 12.375 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.950 12.668 4.723 1.00 0.00 H new ATOM 227 N PRO A 18 1.108 5.881 3.653 1.00 0.00 N ATOM 228 CA PRO A 18 1.857 4.893 2.870 1.00 0.00 C ATOM 229 C PRO A 18 2.663 5.535 1.746 1.00 0.00 C ATOM 230 O PRO A 18 2.111 6.222 0.888 1.00 0.00 O ATOM 231 CB PRO A 18 0.761 3.992 2.295 1.00 0.00 C ATOM 232 CG PRO A 18 -0.454 4.852 2.254 1.00 0.00 C ATOM 233 CD PRO A 18 -0.344 5.781 3.432 1.00 0.00 C ATOM 0 HA PRO A 18 2.590 4.362 3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.025 3.633 1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.603 3.113 2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.505 5.411 1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.361 4.250 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.786 6.754 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.857 5.383 4.307 1.00 0.00 H new ATOM 241 N ALA A 19 3.972 5.304 1.757 1.00 0.00 N ATOM 242 CA ALA A 19 4.854 5.858 0.737 1.00 0.00 C ATOM 243 C ALA A 19 5.197 4.812 -0.318 1.00 0.00 C ATOM 244 O ALA A 19 4.926 5.000 -1.505 1.00 0.00 O ATOM 245 CB ALA A 19 6.123 6.403 1.376 1.00 0.00 C ATOM 0 H ALA A 19 4.445 4.737 2.461 1.00 0.00 H new ATOM 0 HA ALA A 19 4.330 6.676 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.772 6.814 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.864 7.188 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.643 5.599 1.897 1.00 0.00 H new ATOM 251 N LYS A 20 5.796 3.710 0.120 1.00 0.00 N ATOM 252 CA LYS A 20 6.176 2.633 -0.786 1.00 0.00 C ATOM 253 C LYS A 20 4.995 1.707 -1.056 1.00 0.00 C ATOM 254 O LYS A 20 3.901 1.910 -0.528 1.00 0.00 O ATOM 255 CB LYS A 20 7.342 1.833 -0.200 1.00 0.00 C ATOM 256 CG LYS A 20 6.970 1.034 1.037 1.00 0.00 C ATOM 257 CD LYS A 20 8.177 0.788 1.926 1.00 0.00 C ATOM 258 CE LYS A 20 8.961 -0.435 1.476 1.00 0.00 C ATOM 259 NZ LYS A 20 10.395 -0.351 1.869 1.00 0.00 N ATOM 0 H LYS A 20 6.029 3.539 1.098 1.00 0.00 H new ATOM 0 HA LYS A 20 6.488 3.079 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.723 1.152 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.152 2.518 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.205 1.569 1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.537 0.080 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.826 1.664 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.849 0.652 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.517 -1.331 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.887 -0.536 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.895 -1.203 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.826 0.490 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.468 -0.281 2.904 1.00 0.00 H new ATOM 273 N ILE A 21 5.223 0.689 -1.879 1.00 0.00 N ATOM 274 CA ILE A 21 4.178 -0.270 -2.216 1.00 0.00 C ATOM 275 C ILE A 21 4.467 -1.636 -1.604 1.00 0.00 C ATOM 276 O ILE A 21 5.611 -2.092 -1.586 1.00 0.00 O ATOM 277 CB ILE A 21 4.028 -0.425 -3.741 1.00 0.00 C ATOM 278 CG1 ILE A 21 3.774 0.937 -4.392 1.00 0.00 C ATOM 279 CG2 ILE A 21 2.899 -1.392 -4.066 1.00 0.00 C ATOM 280 CD1 ILE A 21 3.916 0.922 -5.898 1.00 0.00 C ATOM 0 H ILE A 21 6.122 0.507 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 21 3.247 0.120 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 21 4.956 -0.831 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.770 1.273 -4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.471 1.665 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.805 -1.491 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.118 -2.367 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.964 -1.012 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.722 1.920 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.928 0.617 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.200 0.219 -6.324 1.00 0.00 H new ATOM 292 N THR A 22 3.422 -2.287 -1.103 1.00 0.00 N ATOM 293 CA THR A 22 3.562 -3.601 -0.490 1.00 0.00 C ATOM 294 C THR A 22 2.484 -4.558 -0.987 1.00 0.00 C ATOM 295 O THR A 22 1.343 -4.158 -1.217 1.00 0.00 O ATOM 296 CB THR A 22 3.487 -3.516 1.047 1.00 0.00 C ATOM 297 OG1 THR A 22 2.452 -2.606 1.436 1.00 0.00 O ATOM 298 CG2 THR A 22 4.816 -3.060 1.629 1.00 0.00 C ATOM 0 H THR A 22 2.469 -1.925 -1.110 1.00 0.00 H new ATOM 0 HA THR A 22 4.542 -3.980 -0.778 1.00 0.00 H new ATOM 0 HB THR A 22 3.261 -4.510 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.409 -2.558 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.739 -3.007 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.596 -3.770 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.067 -2.075 1.235 1.00 0.00 H new ATOM 306 N CYS A 23 2.854 -5.824 -1.151 1.00 0.00 N ATOM 307 CA CYS A 23 1.919 -6.839 -1.621 1.00 0.00 C ATOM 308 C CYS A 23 0.570 -6.702 -0.921 1.00 0.00 C ATOM 309 O CYS A 23 0.506 -6.492 0.289 1.00 0.00 O ATOM 310 CB CYS A 23 2.490 -8.238 -1.383 1.00 0.00 C ATOM 311 SG CYS A 23 1.374 -9.590 -1.877 1.00 0.00 S ATOM 0 H CYS A 23 3.795 -6.171 -0.965 1.00 0.00 H new ATOM 0 HA CYS A 23 1.770 -6.692 -2.691 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.426 -8.335 -1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.729 -8.346 -0.325 1.00 0.00 H new ATOM 316 N ALA A 24 -0.506 -6.822 -1.693 1.00 0.00 N ATOM 317 CA ALA A 24 -1.853 -6.715 -1.147 1.00 0.00 C ATOM 318 C ALA A 24 -2.308 -8.038 -0.542 1.00 0.00 C ATOM 319 O ALA A 24 -3.503 -8.274 -0.369 1.00 0.00 O ATOM 320 CB ALA A 24 -2.826 -6.264 -2.227 1.00 0.00 C ATOM 0 H ALA A 24 -0.470 -6.993 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.837 -5.969 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.828 -6.188 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.519 -5.291 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.829 -6.990 -3.040 1.00 0.00 H new ATOM 326 N ASN A 25 -1.347 -8.899 -0.223 1.00 0.00 N ATOM 327 CA ASN A 25 -1.650 -10.201 0.361 1.00 0.00 C ATOM 328 C ASN A 25 -0.791 -10.456 1.596 1.00 0.00 C ATOM 329 O ASN A 25 -1.306 -10.614 2.703 1.00 0.00 O ATOM 330 CB ASN A 25 -1.425 -11.310 -0.668 1.00 0.00 C ATOM 331 CG ASN A 25 -2.210 -12.567 -0.345 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.388 -12.681 -0.684 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.558 -13.518 0.315 1.00 0.00 N ATOM 0 H ASN A 25 -0.352 -8.719 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.698 -10.201 0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.712 -10.949 -1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.363 -11.550 -0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.034 -14.386 0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.582 -13.380 0.576 1.00 0.00 H new ATOM 340 N CYS A 26 0.523 -10.493 1.399 1.00 0.00 N ATOM 341 CA CYS A 26 1.455 -10.728 2.495 1.00 0.00 C ATOM 342 C CYS A 26 1.921 -9.409 3.105 1.00 0.00 C ATOM 343 O CYS A 26 2.441 -9.378 4.220 1.00 0.00 O ATOM 344 CB CYS A 26 2.662 -11.529 2.003 1.00 0.00 C ATOM 345 SG CYS A 26 3.511 -10.790 0.571 1.00 0.00 S ATOM 0 H CYS A 26 0.966 -10.363 0.490 1.00 0.00 H new ATOM 0 HA CYS A 26 0.936 -11.301 3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.375 -11.631 2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.334 -12.534 1.738 1.00 0.00 H new ATOM 350 N LYS A 27 1.730 -8.322 2.366 1.00 0.00 N ATOM 351 CA LYS A 27 2.128 -6.999 2.833 1.00 0.00 C ATOM 352 C LYS A 27 3.645 -6.901 2.959 1.00 0.00 C ATOM 353 O LYS A 27 4.165 -6.445 3.977 1.00 0.00 O ATOM 354 CB LYS A 27 1.473 -6.693 4.181 1.00 0.00 C ATOM 355 CG LYS A 27 -0.040 -6.829 4.167 1.00 0.00 C ATOM 356 CD LYS A 27 -0.710 -5.550 3.692 1.00 0.00 C ATOM 357 CE LYS A 27 -0.688 -4.476 4.768 1.00 0.00 C ATOM 358 NZ LYS A 27 -1.470 -4.878 5.970 1.00 0.00 N ATOM 0 H LYS A 27 1.302 -8.331 1.440 1.00 0.00 H new ATOM 0 HA LYS A 27 1.793 -6.266 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.883 -7.365 4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.735 -5.679 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.326 -7.655 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.393 -7.076 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.203 -5.183 2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.741 -5.762 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.343 -4.273 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.094 -3.549 4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.149 -4.128 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.984 -5.760 5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.823 -5.028 6.771 1.00 0.00 H new ATOM 372 N LYS A 28 4.350 -7.329 1.917 1.00 0.00 N ATOM 373 CA LYS A 28 5.807 -7.286 1.909 1.00 0.00 C ATOM 374 C LYS A 28 6.312 -6.093 1.105 1.00 0.00 C ATOM 375 O LYS A 28 5.699 -5.669 0.125 1.00 0.00 O ATOM 376 CB LYS A 28 6.372 -8.584 1.326 1.00 0.00 C ATOM 377 CG LYS A 28 6.483 -9.709 2.340 1.00 0.00 C ATOM 378 CD LYS A 28 6.756 -11.043 1.665 1.00 0.00 C ATOM 379 CE LYS A 28 8.212 -11.166 1.242 1.00 0.00 C ATOM 380 NZ LYS A 28 9.123 -11.273 2.415 1.00 0.00 N ATOM 0 H LYS A 28 3.935 -7.710 1.067 1.00 0.00 H new ATOM 0 HA LYS A 28 6.148 -7.178 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.736 -8.910 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.358 -8.385 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.284 -9.487 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.560 -9.774 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.504 -11.855 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.112 -11.149 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.333 -12.044 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.491 -10.299 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.035 -11.670 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.275 -10.329 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.696 -11.895 3.131 1.00 0.00 H new ATOM 394 N PRO A 29 7.458 -5.536 1.527 1.00 0.00 N ATOM 395 CA PRO A 29 8.071 -4.385 0.858 1.00 0.00 C ATOM 396 C PRO A 29 8.635 -4.743 -0.512 1.00 0.00 C ATOM 397 O PRO A 29 9.755 -5.245 -0.623 1.00 0.00 O ATOM 398 CB PRO A 29 9.199 -3.981 1.812 1.00 0.00 C ATOM 399 CG PRO A 29 9.533 -5.229 2.554 1.00 0.00 C ATOM 400 CD PRO A 29 8.242 -5.989 2.688 1.00 0.00 C ATOM 0 HA PRO A 29 7.349 -3.591 0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.063 -3.602 1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.879 -3.190 2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.277 -5.816 2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.955 -5.000 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.406 -7.066 2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.737 -5.762 3.627 1.00 0.00 H new ATOM 408 N LEU A 30 7.855 -4.482 -1.555 1.00 0.00 N ATOM 409 CA LEU A 30 8.277 -4.776 -2.920 1.00 0.00 C ATOM 410 C LEU A 30 9.340 -3.787 -3.386 1.00 0.00 C ATOM 411 O LEU A 30 9.166 -2.574 -3.272 1.00 0.00 O ATOM 412 CB LEU A 30 7.076 -4.735 -3.866 1.00 0.00 C ATOM 413 CG LEU A 30 5.855 -5.549 -3.437 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.681 -5.281 -4.367 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.187 -7.034 -3.410 1.00 0.00 C ATOM 0 H LEU A 30 6.926 -4.067 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 30 8.708 -5.777 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.770 -3.696 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.398 -5.089 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 30 5.573 -5.241 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.821 -5.869 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.428 -4.221 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.952 -5.561 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.306 -7.598 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.495 -7.356 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.997 -7.213 -2.703 1.00 0.00 H new ATOM 427 N GLN A 31 10.441 -4.315 -3.913 1.00 0.00 N ATOM 428 CA GLN A 31 11.532 -3.477 -4.398 1.00 0.00 C ATOM 429 C GLN A 31 11.339 -3.131 -5.870 1.00 0.00 C ATOM 430 O GLN A 31 10.450 -3.666 -6.534 1.00 0.00 O ATOM 431 CB GLN A 31 12.873 -4.186 -4.200 1.00 0.00 C ATOM 432 CG GLN A 31 13.141 -4.590 -2.759 1.00 0.00 C ATOM 433 CD GLN A 31 13.580 -3.423 -1.897 1.00 0.00 C ATOM 434 OE1 GLN A 31 14.731 -2.989 -1.958 1.00 0.00 O ATOM 435 NE2 GLN A 31 12.662 -2.906 -1.088 1.00 0.00 N ATOM 0 H GLN A 31 10.601 -5.317 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 31 11.530 -2.551 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.900 -5.076 -4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.675 -3.530 -4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.238 -5.030 -2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.911 -5.361 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.720 -3.297 -1.070 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.899 -2.118 -0.485 1.00 0.00 H new ATOM 444 N LYS A 32 12.177 -2.232 -6.376 1.00 0.00 N ATOM 445 CA LYS A 32 12.100 -1.814 -7.771 1.00 0.00 C ATOM 446 C LYS A 32 12.290 -3.003 -8.707 1.00 0.00 C ATOM 447 O LYS A 32 11.479 -3.237 -9.602 1.00 0.00 O ATOM 448 CB LYS A 32 13.157 -0.746 -8.063 1.00 0.00 C ATOM 449 CG LYS A 32 12.741 0.653 -7.644 1.00 0.00 C ATOM 450 CD LYS A 32 11.718 1.241 -8.601 1.00 0.00 C ATOM 451 CE LYS A 32 11.514 2.728 -8.354 1.00 0.00 C ATOM 452 NZ LYS A 32 10.316 3.250 -9.068 1.00 0.00 N ATOM 0 H LYS A 32 12.917 -1.779 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 32 11.110 -1.393 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.081 -1.011 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.376 -0.746 -9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.324 0.623 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.618 1.299 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.047 1.083 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.768 0.718 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.406 2.907 -7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.398 3.275 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.212 4.266 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.430 3.103 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.468 2.746 -8.738 1.00 0.00 H new ATOM 466 N GLY A 33 13.368 -3.753 -8.493 1.00 0.00 N ATOM 467 CA GLY A 33 13.644 -4.909 -9.325 1.00 0.00 C ATOM 468 C GLY A 33 12.541 -5.947 -9.259 1.00 0.00 C ATOM 469 O GLY A 33 12.110 -6.469 -10.287 1.00 0.00 O ATOM 0 H GLY A 33 14.054 -3.580 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.774 -4.587 -10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.585 -5.362 -9.012 1.00 0.00 H new ATOM 473 N GLN A 34 12.085 -6.248 -8.047 1.00 0.00 N ATOM 474 CA GLN A 34 11.028 -7.233 -7.852 1.00 0.00 C ATOM 475 C GLN A 34 9.850 -6.958 -8.781 1.00 0.00 C ATOM 476 O GLN A 34 9.532 -5.805 -9.074 1.00 0.00 O ATOM 477 CB GLN A 34 10.557 -7.226 -6.396 1.00 0.00 C ATOM 478 CG GLN A 34 11.678 -7.446 -5.394 1.00 0.00 C ATOM 479 CD GLN A 34 11.893 -8.912 -5.072 1.00 0.00 C ATOM 480 OE1 GLN A 34 11.539 -9.380 -3.989 1.00 0.00 O ATOM 481 NE2 GLN A 34 12.476 -9.646 -6.013 1.00 0.00 N ATOM 0 H GLN A 34 12.431 -5.824 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 34 11.434 -8.216 -8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.073 -6.273 -6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.804 -8.003 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.602 -7.026 -5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.450 -6.906 -4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.753 -9.217 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.647 -10.639 -5.853 1.00 0.00 H new ATOM 490 N THR A 35 9.205 -8.025 -9.242 1.00 0.00 N ATOM 491 CA THR A 35 8.063 -7.899 -10.139 1.00 0.00 C ATOM 492 C THR A 35 6.762 -7.757 -9.357 1.00 0.00 C ATOM 493 O THR A 35 6.738 -7.926 -8.138 1.00 0.00 O ATOM 494 CB THR A 35 7.952 -9.113 -11.081 1.00 0.00 C ATOM 495 OG1 THR A 35 6.958 -8.867 -12.082 1.00 0.00 O ATOM 496 CG2 THR A 35 7.595 -10.370 -10.304 1.00 0.00 C ATOM 0 H THR A 35 9.454 -8.986 -9.009 1.00 0.00 H new ATOM 0 HA THR A 35 8.226 -7.000 -10.734 1.00 0.00 H new ATOM 0 HB THR A 35 8.920 -9.263 -11.559 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.895 -9.643 -12.678 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.522 -11.214 -10.990 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.368 -10.571 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.638 -10.228 -9.801 1.00 0.00 H new ATOM 504 N ALA A 36 5.682 -7.446 -10.066 1.00 0.00 N ATOM 505 CA ALA A 36 4.377 -7.284 -9.437 1.00 0.00 C ATOM 506 C ALA A 36 3.273 -7.885 -10.301 1.00 0.00 C ATOM 507 O ALA A 36 3.351 -7.862 -11.530 1.00 0.00 O ATOM 508 CB ALA A 36 4.098 -5.812 -9.171 1.00 0.00 C ATOM 0 H ALA A 36 5.685 -7.301 -11.076 1.00 0.00 H new ATOM 0 HA ALA A 36 4.391 -7.818 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.120 -5.706 -8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.864 -5.410 -8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.109 -5.264 -10.113 1.00 0.00 H new ATOM 514 N TYR A 37 2.247 -8.423 -9.652 1.00 0.00 N ATOM 515 CA TYR A 37 1.128 -9.033 -10.362 1.00 0.00 C ATOM 516 C TYR A 37 -0.172 -8.289 -10.072 1.00 0.00 C ATOM 517 O TYR A 37 -0.480 -7.982 -8.920 1.00 0.00 O ATOM 518 CB TYR A 37 0.987 -10.503 -9.965 1.00 0.00 C ATOM 519 CG TYR A 37 2.217 -11.331 -10.261 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.423 -11.073 -9.619 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.175 -12.370 -11.181 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.550 -11.826 -9.886 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.297 -13.129 -11.453 1.00 0.00 C ATOM 524 CZ TYR A 37 4.482 -12.853 -10.803 1.00 0.00 C ATOM 525 OH TYR A 37 5.602 -13.606 -11.073 1.00 0.00 O ATOM 0 H TYR A 37 2.166 -8.449 -8.636 1.00 0.00 H new ATOM 0 HA TYR A 37 1.330 -8.970 -11.431 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.767 -10.563 -8.899 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.135 -10.933 -10.491 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.480 -10.270 -8.899 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.249 -12.589 -11.693 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.479 -11.611 -9.379 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.247 -13.934 -12.171 1.00 0.00 H new ATOM 0 HH TYR A 37 5.384 -14.289 -11.741 1.00 0.00 H new ATOM 535 N GLN A 38 -0.931 -8.004 -11.125 1.00 0.00 N ATOM 536 CA GLN A 38 -2.198 -7.297 -10.984 1.00 0.00 C ATOM 537 C GLN A 38 -3.262 -7.900 -11.894 1.00 0.00 C ATOM 538 O GLN A 38 -2.964 -8.353 -13.000 1.00 0.00 O ATOM 539 CB GLN A 38 -2.016 -5.812 -11.307 1.00 0.00 C ATOM 540 CG GLN A 38 -3.185 -4.946 -10.866 1.00 0.00 C ATOM 541 CD GLN A 38 -3.204 -3.597 -11.557 1.00 0.00 C ATOM 542 OE1 GLN A 38 -2.914 -3.493 -12.749 1.00 0.00 O ATOM 543 NE2 GLN A 38 -3.548 -2.554 -10.810 1.00 0.00 N ATOM 0 H GLN A 38 -0.691 -8.252 -12.085 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.529 -7.399 -9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.106 -5.453 -10.826 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.874 -5.697 -12.382 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.118 -5.469 -11.073 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.135 -4.797 -9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.781 -2.686 -9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.580 -1.621 -11.221 1.00 0.00 H new ATOM 552 N ARG A 39 -4.504 -7.904 -11.422 1.00 0.00 N ATOM 553 CA ARG A 39 -5.613 -8.453 -12.193 1.00 0.00 C ATOM 554 C ARG A 39 -6.400 -7.342 -12.882 1.00 0.00 C ATOM 555 O ARG A 39 -6.129 -6.158 -12.681 1.00 0.00 O ATOM 556 CB ARG A 39 -6.541 -9.263 -11.286 1.00 0.00 C ATOM 557 CG ARG A 39 -5.991 -10.630 -10.915 1.00 0.00 C ATOM 558 CD ARG A 39 -6.852 -11.311 -9.864 1.00 0.00 C ATOM 559 NE ARG A 39 -8.183 -11.635 -10.372 1.00 0.00 N ATOM 560 CZ ARG A 39 -8.457 -12.733 -11.067 1.00 0.00 C ATOM 561 NH1 ARG A 39 -7.498 -13.609 -11.335 1.00 0.00 N ATOM 562 NH2 ARG A 39 -9.692 -12.958 -11.495 1.00 0.00 N ATOM 0 H ARG A 39 -4.768 -7.533 -10.509 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.200 -9.110 -12.958 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.728 -8.697 -10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.502 -9.391 -11.785 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.939 -11.256 -11.806 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.973 -10.524 -10.540 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.360 -12.224 -9.528 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.944 -10.661 -8.994 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.943 -10.982 -10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.547 -13.440 -11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.711 -14.451 -11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.433 -12.287 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.901 -13.802 -12.029 1.00 0.00 H new ATOM 576 N LYS A 40 -7.375 -7.732 -13.697 1.00 0.00 N ATOM 577 CA LYS A 40 -8.202 -6.770 -14.416 1.00 0.00 C ATOM 578 C LYS A 40 -9.310 -6.227 -13.519 1.00 0.00 C ATOM 579 O LYS A 40 -9.904 -6.965 -12.734 1.00 0.00 O ATOM 580 CB LYS A 40 -8.812 -7.421 -15.660 1.00 0.00 C ATOM 581 CG LYS A 40 -9.481 -6.431 -16.597 1.00 0.00 C ATOM 582 CD LYS A 40 -9.445 -6.915 -18.037 1.00 0.00 C ATOM 583 CE LYS A 40 -9.680 -5.774 -19.015 1.00 0.00 C ATOM 584 NZ LYS A 40 -9.326 -6.157 -20.410 1.00 0.00 N ATOM 0 H LYS A 40 -7.612 -8.708 -13.876 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.566 -5.939 -14.722 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.030 -7.951 -16.203 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.544 -8.166 -15.348 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.515 -6.279 -16.289 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.981 -5.465 -16.524 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.480 -7.378 -18.242 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.205 -7.683 -18.183 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.727 -5.472 -18.976 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.087 -4.910 -18.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.500 -5.353 -21.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.321 -6.421 -20.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.909 -6.965 -20.707 1.00 0.00 H new ATOM 598 N GLY A 41 -9.583 -4.932 -13.641 1.00 0.00 N ATOM 599 CA GLY A 41 -10.620 -4.313 -12.836 1.00 0.00 C ATOM 600 C GLY A 41 -10.285 -4.316 -11.358 1.00 0.00 C ATOM 601 O GLY A 41 -11.151 -4.562 -10.519 1.00 0.00 O ATOM 0 H GLY A 41 -9.105 -4.300 -14.283 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.770 -3.286 -13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.561 -4.840 -12.993 1.00 0.00 H new ATOM 605 N SER A 42 -9.024 -4.042 -11.038 1.00 0.00 N ATOM 606 CA SER A 42 -8.575 -4.019 -9.650 1.00 0.00 C ATOM 607 C SER A 42 -7.339 -3.139 -9.494 1.00 0.00 C ATOM 608 O SER A 42 -6.480 -3.095 -10.373 1.00 0.00 O ATOM 609 CB SER A 42 -8.269 -5.439 -9.168 1.00 0.00 C ATOM 610 OG SER A 42 -8.058 -5.467 -7.767 1.00 0.00 O ATOM 0 H SER A 42 -8.295 -3.833 -11.721 1.00 0.00 H new ATOM 0 HA SER A 42 -9.376 -3.601 -9.041 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.095 -6.101 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.384 -5.818 -9.680 1.00 0.00 H new ATOM 0 HG SER A 42 -7.866 -6.385 -7.483 1.00 0.00 H new ATOM 616 N ALA A 43 -7.258 -2.440 -8.366 1.00 0.00 N ATOM 617 CA ALA A 43 -6.127 -1.562 -8.092 1.00 0.00 C ATOM 618 C ALA A 43 -5.259 -2.119 -6.969 1.00 0.00 C ATOM 619 O ALA A 43 -4.808 -1.379 -6.094 1.00 0.00 O ATOM 620 CB ALA A 43 -6.617 -0.165 -7.740 1.00 0.00 C ATOM 0 H ALA A 43 -7.962 -2.465 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.516 -1.505 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.762 0.480 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.189 0.241 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.252 -0.214 -6.855 1.00 0.00 H new ATOM 626 N HIS A 44 -5.030 -3.428 -6.998 1.00 0.00 N ATOM 627 CA HIS A 44 -4.215 -4.085 -5.982 1.00 0.00 C ATOM 628 C HIS A 44 -3.064 -4.854 -6.622 1.00 0.00 C ATOM 629 O HIS A 44 -3.262 -5.612 -7.572 1.00 0.00 O ATOM 630 CB HIS A 44 -5.074 -5.032 -5.144 1.00 0.00 C ATOM 631 CG HIS A 44 -5.738 -4.366 -3.978 1.00 0.00 C ATOM 632 ND1 HIS A 44 -5.096 -3.456 -3.165 1.00 0.00 N ATOM 633 CD2 HIS A 44 -6.996 -4.481 -3.492 1.00 0.00 C ATOM 634 CE1 HIS A 44 -5.930 -3.041 -2.228 1.00 0.00 C ATOM 635 NE2 HIS A 44 -7.090 -3.647 -2.404 1.00 0.00 N ATOM 0 H HIS A 44 -5.397 -4.055 -7.714 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.797 -3.316 -5.333 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.838 -5.476 -5.782 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.450 -5.848 -4.779 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.780 -5.111 -3.886 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.702 -2.327 -1.450 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.921 -3.517 -1.826 1.00 0.00 H new ATOM 644 N LEU A 45 -1.861 -4.655 -6.095 1.00 0.00 N ATOM 645 CA LEU A 45 -0.676 -5.329 -6.615 1.00 0.00 C ATOM 646 C LEU A 45 -0.311 -6.532 -5.751 1.00 0.00 C ATOM 647 O LEU A 45 -0.812 -6.683 -4.636 1.00 0.00 O ATOM 648 CB LEU A 45 0.502 -4.356 -6.681 1.00 0.00 C ATOM 649 CG LEU A 45 0.359 -3.194 -7.663 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.379 -2.108 -7.358 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.511 -3.684 -9.096 1.00 0.00 C ATOM 0 H LEU A 45 -1.680 -4.032 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.902 -5.683 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.664 -3.945 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.398 -4.919 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.638 -2.769 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.262 -1.289 -8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.223 -1.736 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.385 -2.520 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.406 -2.843 -9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.495 -4.136 -9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.259 -4.425 -9.311 1.00 0.00 H new ATOM 663 N PHE A 46 0.567 -7.383 -6.271 1.00 0.00 N ATOM 664 CA PHE A 46 1.001 -8.571 -5.546 1.00 0.00 C ATOM 665 C PHE A 46 2.481 -8.850 -5.795 1.00 0.00 C ATOM 666 O PHE A 46 3.030 -8.470 -6.829 1.00 0.00 O ATOM 667 CB PHE A 46 0.165 -9.783 -5.963 1.00 0.00 C ATOM 668 CG PHE A 46 -1.289 -9.658 -5.608 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.702 -9.724 -4.287 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.243 -9.474 -6.596 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.040 -9.610 -3.959 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.582 -9.359 -6.273 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.981 -9.426 -4.953 1.00 0.00 C ATOM 0 H PHE A 46 0.992 -7.272 -7.192 1.00 0.00 H new ATOM 0 HA PHE A 46 0.858 -8.388 -4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.257 -9.925 -7.040 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.572 -10.676 -5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.971 -9.866 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.937 -9.420 -7.630 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.349 -9.665 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.316 -9.217 -7.053 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.027 -9.335 -4.698 1.00 0.00 H new ATOM 683 N CYS A 47 3.120 -9.516 -4.840 1.00 0.00 N ATOM 684 CA CYS A 47 4.536 -9.846 -4.953 1.00 0.00 C ATOM 685 C CYS A 47 4.746 -11.025 -5.899 1.00 0.00 C ATOM 686 O CYS A 47 5.682 -11.033 -6.698 1.00 0.00 O ATOM 687 CB CYS A 47 5.116 -10.174 -3.576 1.00 0.00 C ATOM 688 SG CYS A 47 4.550 -11.764 -2.889 1.00 0.00 S ATOM 0 H CYS A 47 2.680 -9.838 -3.978 1.00 0.00 H new ATOM 0 HA CYS A 47 5.054 -8.978 -5.361 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.204 -10.187 -3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.851 -9.376 -2.883 1.00 0.00 H new ATOM 693 N SER A 48 3.867 -12.018 -5.803 1.00 0.00 N ATOM 694 CA SER A 48 3.958 -13.203 -6.647 1.00 0.00 C ATOM 695 C SER A 48 2.575 -13.793 -6.905 1.00 0.00 C ATOM 696 O SER A 48 1.563 -13.255 -6.454 1.00 0.00 O ATOM 697 CB SER A 48 4.859 -14.253 -5.994 1.00 0.00 C ATOM 698 OG SER A 48 5.421 -15.118 -6.965 1.00 0.00 O ATOM 0 H SER A 48 3.084 -12.025 -5.149 1.00 0.00 H new ATOM 0 HA SER A 48 4.392 -12.906 -7.602 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.656 -13.758 -5.439 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.283 -14.835 -5.275 1.00 0.00 H new ATOM 0 HG SER A 48 5.994 -15.779 -6.522 1.00 0.00 H new ATOM 704 N THR A 49 2.539 -14.904 -7.636 1.00 0.00 N ATOM 705 CA THR A 49 1.281 -15.567 -7.956 1.00 0.00 C ATOM 706 C THR A 49 0.620 -16.127 -6.702 1.00 0.00 C ATOM 707 O THR A 49 -0.559 -15.880 -6.446 1.00 0.00 O ATOM 708 CB THR A 49 1.491 -16.711 -8.966 1.00 0.00 C ATOM 709 OG1 THR A 49 2.509 -17.600 -8.494 1.00 0.00 O ATOM 710 CG2 THR A 49 1.882 -16.163 -10.331 1.00 0.00 C ATOM 0 H THR A 49 3.367 -15.363 -8.017 1.00 0.00 H new ATOM 0 HA THR A 49 0.631 -14.814 -8.401 1.00 0.00 H new ATOM 0 HB THR A 49 0.552 -17.255 -9.066 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.635 -18.325 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.025 -16.989 -11.027 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.092 -15.509 -10.701 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.810 -15.597 -10.244 1.00 0.00 H new ATOM 718 N THR A 50 1.386 -16.882 -5.921 1.00 0.00 N ATOM 719 CA THR A 50 0.874 -17.477 -4.693 1.00 0.00 C ATOM 720 C THR A 50 -0.088 -16.532 -3.984 1.00 0.00 C ATOM 721 O THR A 50 -1.085 -16.964 -3.404 1.00 0.00 O ATOM 722 CB THR A 50 2.017 -17.847 -3.729 1.00 0.00 C ATOM 723 OG1 THR A 50 1.484 -18.462 -2.551 1.00 0.00 O ATOM 724 CG2 THR A 50 2.820 -16.613 -3.344 1.00 0.00 C ATOM 0 H THR A 50 2.364 -17.096 -6.117 1.00 0.00 H new ATOM 0 HA THR A 50 0.342 -18.384 -4.979 1.00 0.00 H new ATOM 0 HB THR A 50 2.679 -18.548 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.217 -18.696 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.622 -16.898 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.248 -16.163 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.166 -15.892 -2.853 1.00 0.00 H new ATOM 732 N CYS A 51 0.215 -15.239 -4.033 1.00 0.00 N ATOM 733 CA CYS A 51 -0.623 -14.231 -3.395 1.00 0.00 C ATOM 734 C CYS A 51 -1.726 -13.763 -4.340 1.00 0.00 C ATOM 735 O CYS A 51 -2.892 -13.672 -3.955 1.00 0.00 O ATOM 736 CB CYS A 51 0.225 -13.037 -2.952 1.00 0.00 C ATOM 737 SG CYS A 51 1.317 -13.385 -1.536 1.00 0.00 S ATOM 0 H CYS A 51 1.036 -14.864 -4.509 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.087 -14.683 -2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.833 -12.705 -3.793 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.437 -12.211 -2.692 1.00 0.00 H new ATOM 742 N LEU A 52 -1.348 -13.467 -5.579 1.00 0.00 N ATOM 743 CA LEU A 52 -2.304 -13.008 -6.581 1.00 0.00 C ATOM 744 C LEU A 52 -3.582 -13.840 -6.535 1.00 0.00 C ATOM 745 O LEU A 52 -4.687 -13.297 -6.494 1.00 0.00 O ATOM 746 CB LEU A 52 -1.684 -13.082 -7.978 1.00 0.00 C ATOM 747 CG LEU A 52 -2.646 -12.885 -9.150 1.00 0.00 C ATOM 748 CD1 LEU A 52 -2.783 -11.408 -9.486 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.172 -13.669 -10.365 1.00 0.00 C ATOM 0 H LEU A 52 -0.387 -13.537 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.558 -11.972 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.900 -12.328 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.202 -14.053 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.626 -13.262 -8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.471 -11.287 -10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.168 -10.872 -8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.808 -11.005 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.868 -13.518 -11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.181 -13.322 -10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.127 -14.730 -10.119 1.00 0.00 H new ATOM 761 N SER A 53 -3.424 -15.159 -6.541 1.00 0.00 N ATOM 762 CA SER A 53 -4.565 -16.066 -6.502 1.00 0.00 C ATOM 763 C SER A 53 -5.111 -16.191 -5.083 1.00 0.00 C ATOM 764 O SER A 53 -6.312 -16.043 -4.853 1.00 0.00 O ATOM 765 CB SER A 53 -4.166 -17.446 -7.030 1.00 0.00 C ATOM 766 OG SER A 53 -5.309 -18.217 -7.358 1.00 0.00 O ATOM 0 H SER A 53 -2.517 -15.624 -6.573 1.00 0.00 H new ATOM 0 HA SER A 53 -5.347 -15.653 -7.139 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.535 -17.333 -7.911 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.574 -17.969 -6.279 1.00 0.00 H new ATOM 0 HG SER A 53 -5.027 -19.093 -7.694 1.00 0.00 H new ATOM 772 N SER A 54 -4.221 -16.465 -4.135 1.00 0.00 N ATOM 773 CA SER A 54 -4.613 -16.614 -2.738 1.00 0.00 C ATOM 774 C SER A 54 -5.609 -15.531 -2.335 1.00 0.00 C ATOM 775 O SER A 54 -6.663 -15.820 -1.769 1.00 0.00 O ATOM 776 CB SER A 54 -3.382 -16.553 -1.832 1.00 0.00 C ATOM 777 OG SER A 54 -2.810 -17.839 -1.663 1.00 0.00 O ATOM 0 H SER A 54 -3.223 -16.588 -4.309 1.00 0.00 H new ATOM 0 HA SER A 54 -5.093 -17.586 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.643 -15.876 -2.262 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.661 -16.145 -0.861 1.00 0.00 H new ATOM 0 HG SER A 54 -2.098 -17.970 -2.324 1.00 0.00 H new ATOM 783 N PHE A 55 -5.266 -14.281 -2.631 1.00 0.00 N ATOM 784 CA PHE A 55 -6.129 -13.153 -2.299 1.00 0.00 C ATOM 785 C PHE A 55 -7.584 -13.461 -2.642 1.00 0.00 C ATOM 786 O PHE A 55 -8.499 -13.083 -1.911 1.00 0.00 O ATOM 787 CB PHE A 55 -5.672 -11.898 -3.044 1.00 0.00 C ATOM 788 CG PHE A 55 -6.322 -10.637 -2.549 1.00 0.00 C ATOM 789 CD1 PHE A 55 -7.590 -10.281 -2.979 1.00 0.00 C ATOM 790 CD2 PHE A 55 -5.664 -9.808 -1.655 1.00 0.00 C ATOM 791 CE1 PHE A 55 -8.190 -9.121 -2.526 1.00 0.00 C ATOM 792 CE2 PHE A 55 -6.259 -8.647 -1.198 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.524 -8.304 -1.633 1.00 0.00 C ATOM 0 H PHE A 55 -4.397 -14.024 -3.100 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.057 -12.976 -1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.591 -11.802 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.888 -12.016 -4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.116 -10.917 -3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.675 -10.072 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.178 -8.854 -2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.735 -8.009 -0.502 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.992 -7.399 -1.276 1.00 0.00 H new ATOM 803 N SER A 56 -7.788 -14.150 -3.760 1.00 0.00 N ATOM 804 CA SER A 56 -9.131 -14.506 -4.204 1.00 0.00 C ATOM 805 C SER A 56 -9.722 -15.601 -3.323 1.00 0.00 C ATOM 806 O SER A 56 -9.539 -16.790 -3.584 1.00 0.00 O ATOM 807 CB SER A 56 -9.103 -14.969 -5.662 1.00 0.00 C ATOM 808 OG SER A 56 -10.415 -15.146 -6.166 1.00 0.00 O ATOM 0 H SER A 56 -7.041 -14.473 -4.375 1.00 0.00 H new ATOM 0 HA SER A 56 -9.760 -13.620 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.573 -14.236 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.551 -15.906 -5.739 1.00 0.00 H new ATOM 0 HG SER A 56 -10.370 -15.440 -7.100 1.00 0.00 H new ATOM 814 N SER A 57 -10.432 -15.191 -2.276 1.00 0.00 N ATOM 815 CA SER A 57 -11.048 -16.137 -1.352 1.00 0.00 C ATOM 816 C SER A 57 -10.156 -17.357 -1.150 1.00 0.00 C ATOM 817 O SER A 57 -10.618 -18.496 -1.212 1.00 0.00 O ATOM 818 CB SER A 57 -12.418 -16.573 -1.874 1.00 0.00 C ATOM 819 OG SER A 57 -13.197 -17.150 -0.841 1.00 0.00 O ATOM 0 H SER A 57 -10.595 -14.211 -2.047 1.00 0.00 H new ATOM 0 HA SER A 57 -11.175 -15.639 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.942 -15.713 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.290 -17.293 -2.683 1.00 0.00 H new ATOM 0 HG SER A 57 -12.724 -17.923 -0.467 1.00 0.00 H new ATOM 825 N GLY A 58 -8.872 -17.111 -0.907 1.00 0.00 N ATOM 826 CA GLY A 58 -7.934 -18.198 -0.698 1.00 0.00 C ATOM 827 C GLY A 58 -7.810 -18.586 0.762 1.00 0.00 C ATOM 828 O GLY A 58 -7.478 -17.766 1.618 1.00 0.00 O ATOM 0 H GLY A 58 -8.465 -16.177 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.254 -19.066 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.955 -17.906 -1.077 1.00 0.00 H new ATOM 832 N PRO A 59 -8.084 -19.864 1.064 1.00 0.00 N ATOM 833 CA PRO A 59 -8.010 -20.387 2.432 1.00 0.00 C ATOM 834 C PRO A 59 -6.576 -20.470 2.943 1.00 0.00 C ATOM 835 O PRO A 59 -6.336 -20.861 4.086 1.00 0.00 O ATOM 836 CB PRO A 59 -8.616 -21.787 2.309 1.00 0.00 C ATOM 837 CG PRO A 59 -8.398 -22.171 0.887 1.00 0.00 C ATOM 838 CD PRO A 59 -8.487 -20.896 0.095 1.00 0.00 C ATOM 0 HA PRO A 59 -8.529 -19.744 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.131 -22.489 2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.677 -21.783 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.425 -22.645 0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.149 -22.889 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.826 -20.914 -0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.497 -20.724 -0.278 1.00 0.00 H new ATOM 846 N SER A 60 -5.625 -20.101 2.090 1.00 0.00 N ATOM 847 CA SER A 60 -4.214 -20.137 2.456 1.00 0.00 C ATOM 848 C SER A 60 -4.018 -19.717 3.909 1.00 0.00 C ATOM 849 O SER A 60 -4.472 -18.651 4.325 1.00 0.00 O ATOM 850 CB SER A 60 -3.404 -19.223 1.534 1.00 0.00 C ATOM 851 OG SER A 60 -3.632 -17.859 1.839 1.00 0.00 O ATOM 0 H SER A 60 -5.806 -19.774 1.141 1.00 0.00 H new ATOM 0 HA SER A 60 -3.860 -21.162 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.342 -19.449 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.674 -19.417 0.496 1.00 0.00 H new ATOM 0 HG SER A 60 -3.944 -17.778 2.764 1.00 0.00 H new ATOM 857 N SER A 61 -3.338 -20.562 4.676 1.00 0.00 N ATOM 858 CA SER A 61 -3.084 -20.281 6.084 1.00 0.00 C ATOM 859 C SER A 61 -2.112 -19.115 6.239 1.00 0.00 C ATOM 860 O SER A 61 -1.464 -18.700 5.279 1.00 0.00 O ATOM 861 CB SER A 61 -2.523 -21.523 6.781 1.00 0.00 C ATOM 862 OG SER A 61 -2.876 -21.540 8.154 1.00 0.00 O ATOM 0 H SER A 61 -2.953 -21.447 4.346 1.00 0.00 H new ATOM 0 HA SER A 61 -4.030 -20.007 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.903 -22.421 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.438 -21.541 6.681 1.00 0.00 H new ATOM 0 HG SER A 61 -2.508 -22.344 8.577 1.00 0.00 H new ATOM 868 N GLY A 62 -2.016 -18.590 7.457 1.00 0.00 N ATOM 869 CA GLY A 62 -1.122 -17.477 7.717 1.00 0.00 C ATOM 870 C GLY A 62 -1.799 -16.356 8.481 1.00 0.00 C ATOM 871 O GLY A 62 -1.113 -15.603 9.171 1.00 0.00 O ATOM 0 H GLY A 62 -2.542 -18.916 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.261 -17.831 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.743 -17.091 6.771 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.678 -11.482 -1.491 1.00 0.00 ZN