USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 502 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 29 LYS NZ :NH3+ 178:sc= -0.0206 (180deg=-0.0291) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 179:sc= -0.0115 (180deg=-0.0173) USER MOD Set 2.1: A 24 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 26 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.74) USER MOD Set 2.3: A 28 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00794) USER MOD Single : A 1 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 1 GLN N :NH3+ -170:sc= 0 (180deg=-0.0683) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0203) USER MOD Single : A 10 HIS : no HD1:sc= -0.625 X(o=-0.62,f=-0.62) USER MOD Single : A 12 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.95) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc=-0.00516 (180deg=-0.163) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0145 K(o=-0.015,f=-0.58) USER MOD Single : A 31 GLN : amide:sc=-0.000764 K(o=-0.00076,f=-2.2) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 42:sc= 0.425 USER MOD Single : A 43 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.71) USER MOD Single : A 44 SER OG : rot 180:sc= 0.123 USER MOD Single : A 45 ASN : amide:sc= -0.471 K(o=-0.47,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.066) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -17.009 -10.854 -1.314 1.00 0.00 N ATOM 2 CA GLN A 1 -16.077 -9.727 -1.121 1.00 0.00 C ATOM 3 C GLN A 1 -15.407 -9.347 -2.453 1.00 0.00 C ATOM 4 O GLN A 1 -14.346 -9.887 -2.770 1.00 0.00 O ATOM 5 CB GLN A 1 -15.017 -10.073 -0.053 1.00 0.00 C ATOM 6 CG GLN A 1 -15.598 -10.224 1.364 1.00 0.00 C ATOM 7 CD GLN A 1 -16.247 -8.934 1.878 1.00 0.00 C ATOM 8 OE1 GLN A 1 -17.458 -8.883 2.085 1.00 0.00 O ATOM 9 NE2 GLN A 1 -15.445 -7.885 2.083 1.00 0.00 N ATOM 0 H1 GLN A 1 -17.575 -10.988 -0.452 1.00 0.00 H new ATOM 0 H2 GLN A 1 -17.641 -10.649 -2.114 1.00 0.00 H new ATOM 0 H3 GLN A 1 -16.469 -11.721 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 1 -16.646 -8.867 -0.767 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -14.520 -11.001 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -14.255 -9.294 -0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -16.339 -11.024 1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -14.804 -10.524 2.048 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -14.445 -7.964 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -15.833 -7.005 2.422 1.00 0.00 H new ATOM 20 N PRO A 2 -16.008 -8.432 -3.244 1.00 0.00 N ATOM 21 CA PRO A 2 -15.482 -7.965 -4.528 1.00 0.00 C ATOM 22 C PRO A 2 -14.026 -7.478 -4.431 1.00 0.00 C ATOM 23 O PRO A 2 -13.200 -7.870 -5.254 1.00 0.00 O ATOM 24 CB PRO A 2 -16.433 -6.853 -4.987 1.00 0.00 C ATOM 25 CG PRO A 2 -17.760 -7.274 -4.357 1.00 0.00 C ATOM 26 CD PRO A 2 -17.317 -7.839 -3.007 1.00 0.00 C ATOM 0 HA PRO A 2 -15.445 -8.780 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -16.110 -5.872 -4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -16.499 -6.798 -6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -18.440 -6.430 -4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -18.277 -8.020 -4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.262 -7.054 -2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.025 -8.583 -2.642 1.00 0.00 H new ATOM 34 N LEU A 3 -13.717 -6.639 -3.425 1.00 0.00 N ATOM 35 CA LEU A 3 -12.378 -6.105 -3.180 1.00 0.00 C ATOM 36 C LEU A 3 -11.373 -7.257 -2.969 1.00 0.00 C ATOM 37 O LEU A 3 -11.715 -8.303 -2.418 1.00 0.00 O ATOM 38 CB LEU A 3 -12.376 -5.076 -2.022 1.00 0.00 C ATOM 39 CG LEU A 3 -12.964 -5.400 -0.627 1.00 0.00 C ATOM 40 CD1 LEU A 3 -14.492 -5.556 -0.601 1.00 0.00 C ATOM 41 CD2 LEU A 3 -12.281 -6.567 0.099 1.00 0.00 C ATOM 0 H LEU A 3 -14.409 -6.311 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.054 -5.554 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.338 -4.785 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.902 -4.194 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.730 -4.499 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.817 -5.782 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.958 -4.629 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.786 -6.369 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.758 -6.722 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.373 -7.473 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.226 -6.336 0.247 1.00 0.00 H new ATOM 53 N ARG A 4 -10.133 -7.076 -3.446 1.00 0.00 N ATOM 54 CA ARG A 4 -9.057 -8.041 -3.380 1.00 0.00 C ATOM 55 C ARG A 4 -8.466 -8.214 -1.978 1.00 0.00 C ATOM 56 O ARG A 4 -8.658 -7.382 -1.091 1.00 0.00 O ATOM 57 CB ARG A 4 -7.961 -7.617 -4.370 1.00 0.00 C ATOM 58 CG ARG A 4 -8.442 -7.085 -5.731 1.00 0.00 C ATOM 59 CD ARG A 4 -7.245 -6.879 -6.672 1.00 0.00 C ATOM 60 NE ARG A 4 -7.654 -6.303 -7.962 1.00 0.00 N ATOM 61 CZ ARG A 4 -8.240 -6.964 -8.978 1.00 0.00 C ATOM 62 NH1 ARG A 4 -8.505 -8.278 -8.900 1.00 0.00 N ATOM 63 NH2 ARG A 4 -8.565 -6.295 -10.093 1.00 0.00 N ATOM 0 H ARG A 4 -9.854 -6.210 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.473 -9.013 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.352 -6.847 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.310 -8.473 -4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.147 -7.787 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.973 -6.143 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.518 -6.222 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.748 -7.834 -6.842 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.477 -5.308 -8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.262 -8.798 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.950 -8.756 -9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.368 -5.297 -10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.009 -6.784 -10.870 1.00 0.00 H new ATOM 77 N LYS A 5 -7.729 -9.322 -1.813 1.00 0.00 N ATOM 78 CA LYS A 5 -7.041 -9.694 -0.578 1.00 0.00 C ATOM 79 C LYS A 5 -5.706 -8.960 -0.424 1.00 0.00 C ATOM 80 O LYS A 5 -5.149 -8.927 0.673 1.00 0.00 O ATOM 81 CB LYS A 5 -6.881 -11.223 -0.490 1.00 0.00 C ATOM 82 CG LYS A 5 -5.941 -11.807 -1.559 1.00 0.00 C ATOM 83 CD LYS A 5 -5.853 -13.336 -1.425 1.00 0.00 C ATOM 84 CE LYS A 5 -4.951 -13.964 -2.497 1.00 0.00 C ATOM 85 NZ LYS A 5 -3.542 -13.558 -2.351 1.00 0.00 N ATOM 0 H LYS A 5 -7.594 -10.002 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.659 -9.377 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.501 -11.484 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.862 -11.689 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.304 -11.544 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.948 -11.370 -1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.470 -13.590 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.853 -13.763 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.022 -15.050 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.309 -13.675 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.959 -14.072 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.456 -12.535 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.215 -13.780 -1.389 1.00 0.00 H new ATOM 99 N LEU A 6 -5.199 -8.373 -1.516 1.00 0.00 N ATOM 100 CA LEU A 6 -3.971 -7.587 -1.539 1.00 0.00 C ATOM 101 C LEU A 6 -4.154 -6.286 -0.736 1.00 0.00 C ATOM 102 O LEU A 6 -3.174 -5.671 -0.323 1.00 0.00 O ATOM 103 CB LEU A 6 -3.578 -7.309 -3.001 1.00 0.00 C ATOM 104 CG LEU A 6 -2.094 -6.935 -3.189 1.00 0.00 C ATOM 105 CD1 LEU A 6 -1.183 -8.074 -2.698 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.819 -6.644 -4.672 1.00 0.00 C ATOM 0 H LEU A 6 -5.648 -8.437 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.162 -8.144 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.799 -8.192 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.198 -6.499 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.879 -6.044 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.140 -7.792 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.369 -8.259 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.394 -8.979 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.770 -6.380 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.047 -7.530 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.445 -5.815 -5.002 1.00 0.00 H new ATOM 118 N CYS A 7 -5.418 -5.891 -0.515 1.00 0.00 N ATOM 119 CA CYS A 7 -5.843 -4.722 0.249 1.00 0.00 C ATOM 120 C CYS A 7 -6.252 -5.170 1.667 1.00 0.00 C ATOM 121 O CYS A 7 -7.117 -4.547 2.284 1.00 0.00 O ATOM 122 CB CYS A 7 -7.033 -4.076 -0.481 1.00 0.00 C ATOM 123 SG CYS A 7 -6.680 -3.257 -2.059 1.00 0.00 S ATOM 0 H CYS A 7 -6.211 -6.413 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.034 -3.996 0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.781 -4.848 -0.659 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.484 -3.343 0.188 1.00 0.00 H new ATOM 128 N ILE A 8 -5.640 -6.248 2.187 1.00 0.00 N ATOM 129 CA ILE A 8 -5.930 -6.826 3.500 1.00 0.00 C ATOM 130 C ILE A 8 -4.630 -7.312 4.171 1.00 0.00 C ATOM 131 O ILE A 8 -4.659 -7.613 5.364 1.00 0.00 O ATOM 132 CB ILE A 8 -6.992 -7.962 3.368 1.00 0.00 C ATOM 133 CG1 ILE A 8 -8.241 -7.478 2.590 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.434 -8.475 4.755 1.00 0.00 C ATOM 135 CD1 ILE A 8 -9.376 -8.506 2.473 1.00 0.00 C ATOM 0 H ILE A 8 -4.909 -6.752 1.686 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.357 -6.059 4.146 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.519 -8.774 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.630 -6.585 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.933 -7.184 1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.174 -9.266 4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.569 -8.868 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.871 -7.655 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.204 -8.072 1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.012 -9.393 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.719 -8.784 3.469 1.00 0.00 H new ATOM 147 N LEU A 9 -3.486 -7.362 3.458 1.00 0.00 N ATOM 148 CA LEU A 9 -2.220 -7.817 4.016 1.00 0.00 C ATOM 149 C LEU A 9 -1.650 -6.725 4.937 1.00 0.00 C ATOM 150 O LEU A 9 -2.217 -6.449 5.994 1.00 0.00 O ATOM 151 CB LEU A 9 -1.278 -8.250 2.867 1.00 0.00 C ATOM 152 CG LEU A 9 -1.851 -9.337 1.933 1.00 0.00 C ATOM 153 CD1 LEU A 9 -0.765 -9.791 0.947 1.00 0.00 C ATOM 154 CD2 LEU A 9 -2.402 -10.555 2.690 1.00 0.00 C ATOM 0 H LEU A 9 -3.426 -7.085 2.478 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.351 -8.700 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.029 -7.373 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.346 -8.616 3.299 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.691 -8.889 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.170 -10.559 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.434 -8.939 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.082 -10.198 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.790 -11.282 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.604 -11.011 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.204 -10.237 3.356 1.00 0.00 H new ATOM 166 N HIS A 10 -0.539 -6.109 4.530 1.00 0.00 N ATOM 167 CA HIS A 10 0.190 -5.056 5.234 1.00 0.00 C ATOM 168 C HIS A 10 1.176 -4.406 4.260 1.00 0.00 C ATOM 169 O HIS A 10 1.692 -5.070 3.358 1.00 0.00 O ATOM 170 CB HIS A 10 0.987 -5.630 6.427 1.00 0.00 C ATOM 171 CG HIS A 10 0.159 -6.099 7.598 1.00 0.00 C ATOM 172 ND1 HIS A 10 -0.573 -5.203 8.379 1.00 0.00 N ATOM 173 CD2 HIS A 10 -0.033 -7.368 8.081 1.00 0.00 C ATOM 174 CE1 HIS A 10 -1.182 -5.965 9.292 1.00 0.00 C ATOM 175 NE2 HIS A 10 -0.893 -7.270 9.155 1.00 0.00 N ATOM 0 H HIS A 10 -0.097 -6.349 3.643 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.530 -4.329 5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 10 1.587 -6.467 6.071 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.681 -4.867 6.778 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.407 -8.275 7.693 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.836 -5.574 10.057 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -1.241 -8.037 9.731 1.00 0.00 H new ATOM 183 N ARG A 11 1.454 -3.108 4.453 1.00 0.00 N ATOM 184 CA ARG A 11 2.374 -2.350 3.639 1.00 0.00 C ATOM 185 C ARG A 11 3.796 -2.787 4.020 1.00 0.00 C ATOM 186 O ARG A 11 4.309 -2.449 5.086 1.00 0.00 O ATOM 187 CB ARG A 11 2.063 -0.852 3.811 1.00 0.00 C ATOM 188 CG ARG A 11 2.772 -0.034 4.903 1.00 0.00 C ATOM 189 CD ARG A 11 2.361 -0.435 6.329 1.00 0.00 C ATOM 190 NE ARG A 11 3.267 0.130 7.340 1.00 0.00 N ATOM 191 CZ ARG A 11 3.373 1.425 7.691 1.00 0.00 C ATOM 192 NH1 ARG A 11 2.614 2.372 7.121 1.00 0.00 N ATOM 193 NH2 ARG A 11 4.261 1.777 8.632 1.00 0.00 N ATOM 0 H ARG A 11 1.029 -2.558 5.199 1.00 0.00 H new ATOM 0 HA ARG A 11 2.274 -2.539 2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.272 -0.367 2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.991 -0.763 3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.850 -0.156 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.554 1.024 4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.344 -0.095 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.355 -1.522 6.413 1.00 0.00 H new ATOM 0 HE ARG A 11 3.878 -0.527 7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.936 2.118 6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.715 3.346 7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.846 1.067 9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.352 2.755 8.907 1.00 0.00 H new ATOM 207 N ASN A 12 4.399 -3.616 3.162 1.00 0.00 N ATOM 208 CA ASN A 12 5.739 -4.163 3.322 1.00 0.00 C ATOM 209 C ASN A 12 6.638 -3.500 2.270 1.00 0.00 C ATOM 210 O ASN A 12 6.729 -3.998 1.147 1.00 0.00 O ATOM 211 CB ASN A 12 5.713 -5.704 3.256 1.00 0.00 C ATOM 212 CG ASN A 12 4.543 -6.353 4.012 1.00 0.00 C ATOM 213 OD1 ASN A 12 4.128 -5.866 5.062 1.00 0.00 O ATOM 214 ND2 ASN A 12 4.018 -7.467 3.498 1.00 0.00 N ATOM 0 H ASN A 12 3.945 -3.933 2.306 1.00 0.00 H new ATOM 0 HA ASN A 12 6.151 -3.939 4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.668 -6.010 2.211 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.649 -6.089 3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.251 -7.938 3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.383 -7.847 2.625 1.00 0.00 H new ATOM 221 N PRO A 13 7.286 -2.364 2.602 1.00 0.00 N ATOM 222 CA PRO A 13 8.160 -1.636 1.687 1.00 0.00 C ATOM 223 C PRO A 13 9.367 -2.471 1.239 1.00 0.00 C ATOM 224 O PRO A 13 9.774 -2.405 0.079 1.00 0.00 O ATOM 225 CB PRO A 13 8.526 -0.339 2.420 1.00 0.00 C ATOM 226 CG PRO A 13 8.409 -0.707 3.893 1.00 0.00 C ATOM 227 CD PRO A 13 7.212 -1.652 3.871 1.00 0.00 C ATOM 0 HA PRO A 13 7.665 -1.407 0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.534 -0.009 2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.850 0.474 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.310 -1.193 4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.232 0.166 4.522 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.247 -2.346 4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.277 -1.099 3.954 1.00 0.00 H new ATOM 235 N GLY A 14 9.898 -3.263 2.174 1.00 0.00 N ATOM 236 CA GLY A 14 11.021 -4.181 2.018 1.00 0.00 C ATOM 237 C GLY A 14 12.251 -3.832 2.863 1.00 0.00 C ATOM 238 O GLY A 14 12.397 -2.715 3.357 1.00 0.00 O ATOM 0 H GLY A 14 9.527 -3.278 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.691 -5.186 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.312 -4.203 0.968 1.00 0.00 H new ATOM 242 N ARG A 15 13.121 -4.835 3.055 1.00 0.00 N ATOM 243 CA ARG A 15 14.386 -4.744 3.782 1.00 0.00 C ATOM 244 C ARG A 15 15.470 -4.375 2.755 1.00 0.00 C ATOM 245 O ARG A 15 16.301 -5.210 2.397 1.00 0.00 O ATOM 246 CB ARG A 15 14.664 -6.063 4.540 1.00 0.00 C ATOM 247 CG ARG A 15 14.491 -7.354 3.715 1.00 0.00 C ATOM 248 CD ARG A 15 14.944 -8.580 4.518 1.00 0.00 C ATOM 249 NE ARG A 15 14.784 -9.818 3.739 1.00 0.00 N ATOM 250 CZ ARG A 15 15.113 -11.054 4.157 1.00 0.00 C ATOM 251 NH1 ARG A 15 15.627 -11.263 5.379 1.00 0.00 N ATOM 252 NH2 ARG A 15 14.923 -12.097 3.336 1.00 0.00 N ATOM 0 H ARG A 15 12.950 -5.772 2.689 1.00 0.00 H new ATOM 0 HA ARG A 15 14.364 -3.973 4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.684 -6.032 4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 15 14.000 -6.112 5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.446 -7.469 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.070 -7.283 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 15 15.988 -8.462 4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.364 -8.649 5.438 1.00 0.00 H new ATOM 0 HE ARG A 15 14.390 -9.732 2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.775 -10.476 6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.869 -12.208 5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.533 -11.949 2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 15 15.169 -13.038 3.642 1.00 0.00 H new ATOM 266 N CYS A 16 15.466 -3.118 2.280 1.00 0.00 N ATOM 267 CA CYS A 16 16.403 -2.641 1.264 1.00 0.00 C ATOM 268 C CYS A 16 16.853 -1.212 1.605 1.00 0.00 C ATOM 269 O CYS A 16 17.612 -1.048 2.561 1.00 0.00 O ATOM 270 CB CYS A 16 15.731 -2.853 -0.106 1.00 0.00 C ATOM 271 SG CYS A 16 16.805 -2.910 -1.574 1.00 0.00 S ATOM 0 H CYS A 16 14.807 -2.406 2.595 1.00 0.00 H new ATOM 0 HA CYS A 16 17.340 -3.198 1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.170 -3.787 -0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.006 -2.052 -0.252 1.00 0.00 H new ATOM 276 N TYR A 17 16.412 -0.189 0.856 1.00 0.00 N ATOM 277 CA TYR A 17 16.786 1.211 1.075 1.00 0.00 C ATOM 278 C TYR A 17 15.531 2.104 1.209 1.00 0.00 C ATOM 279 O TYR A 17 14.848 2.033 2.229 1.00 0.00 O ATOM 280 CB TYR A 17 17.743 1.632 -0.061 1.00 0.00 C ATOM 281 CG TYR A 17 19.172 1.145 0.139 1.00 0.00 C ATOM 282 CD1 TYR A 17 20.072 1.876 0.948 1.00 0.00 C ATOM 283 CD2 TYR A 17 19.597 -0.060 -0.466 1.00 0.00 C ATOM 284 CE1 TYR A 17 21.387 1.406 1.150 1.00 0.00 C ATOM 285 CE2 TYR A 17 20.911 -0.532 -0.261 1.00 0.00 C ATOM 286 CZ TYR A 17 21.808 0.201 0.546 1.00 0.00 C ATOM 287 OH TYR A 17 23.080 -0.258 0.739 1.00 0.00 O ATOM 0 H TYR A 17 15.775 -0.317 0.069 1.00 0.00 H new ATOM 0 HA TYR A 17 17.315 1.335 2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 17 17.364 1.245 -1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.745 2.719 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.752 2.797 1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 17 18.914 -0.621 -1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 17 22.072 1.968 1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 17 21.231 -1.455 -0.722 1.00 0.00 H new ATOM 0 HH TYR A 17 23.201 -1.100 0.252 1.00 0.00 H new ATOM 297 N GLN A 18 15.238 2.946 0.202 1.00 0.00 N ATOM 298 CA GLN A 18 14.123 3.905 0.141 1.00 0.00 C ATOM 299 C GLN A 18 14.085 4.490 -1.283 1.00 0.00 C ATOM 300 O GLN A 18 15.058 5.150 -1.654 1.00 0.00 O ATOM 301 CB GLN A 18 14.349 5.017 1.188 1.00 0.00 C ATOM 302 CG GLN A 18 13.135 5.947 1.299 1.00 0.00 C ATOM 303 CD GLN A 18 13.376 7.093 2.285 1.00 0.00 C ATOM 304 OE1 GLN A 18 12.817 7.105 3.380 1.00 0.00 O ATOM 305 NE2 GLN A 18 14.207 8.064 1.897 1.00 0.00 N ATOM 0 H GLN A 18 15.809 2.976 -0.642 1.00 0.00 H new ATOM 0 HA GLN A 18 13.172 3.420 0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.552 4.566 2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.230 5.599 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.902 6.358 0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.266 5.372 1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.652 8.018 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.397 8.851 2.517 1.00 0.00 H new ATOM 314 N LYS A 19 13.009 4.295 -2.085 1.00 0.00 N ATOM 315 CA LYS A 19 13.021 4.806 -3.462 1.00 0.00 C ATOM 316 C LYS A 19 11.706 5.010 -4.235 1.00 0.00 C ATOM 317 O LYS A 19 11.750 5.701 -5.254 1.00 0.00 O ATOM 318 CB LYS A 19 13.896 3.817 -4.255 1.00 0.00 C ATOM 319 CG LYS A 19 14.361 4.261 -5.647 1.00 0.00 C ATOM 320 CD LYS A 19 15.155 5.575 -5.581 1.00 0.00 C ATOM 321 CE LYS A 19 15.889 5.885 -6.893 1.00 0.00 C ATOM 322 NZ LYS A 19 16.961 4.915 -7.181 1.00 0.00 N ATOM 0 H LYS A 19 12.157 3.806 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 19 13.374 5.833 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.780 3.593 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.341 2.886 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.981 3.482 -6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.496 4.389 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.476 6.395 -5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.879 5.518 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.173 5.886 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.314 6.887 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.574 5.289 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.525 4.755 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.541 4.016 -7.491 1.00 0.00 H new ATOM 336 N ILE A 20 10.559 4.461 -3.816 1.00 0.00 N ATOM 337 CA ILE A 20 9.304 4.608 -4.587 1.00 0.00 C ATOM 338 C ILE A 20 8.165 5.007 -3.644 1.00 0.00 C ATOM 339 O ILE A 20 7.327 4.170 -3.310 1.00 0.00 O ATOM 340 CB ILE A 20 8.981 3.295 -5.372 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.113 2.798 -6.302 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.696 3.417 -6.215 1.00 0.00 C ATOM 343 CD1 ILE A 20 10.295 3.550 -7.620 1.00 0.00 C ATOM 0 H ILE A 20 10.467 3.916 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 20 9.423 5.399 -5.327 1.00 0.00 H new ATOM 0 HB ILE A 20 8.852 2.560 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.052 2.845 -5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.930 1.748 -6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.515 2.479 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.851 3.635 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.811 4.223 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.118 3.107 -8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.379 3.483 -8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.519 4.597 -7.414 1.00 0.00 H new ATOM 355 N PRO A 21 8.072 6.277 -3.205 1.00 0.00 N ATOM 356 CA PRO A 21 6.995 6.666 -2.324 1.00 0.00 C ATOM 357 C PRO A 21 5.649 6.573 -3.043 1.00 0.00 C ATOM 358 O PRO A 21 5.496 6.998 -4.189 1.00 0.00 O ATOM 359 CB PRO A 21 7.280 8.058 -1.801 1.00 0.00 C ATOM 360 CG PRO A 21 8.619 8.465 -2.434 1.00 0.00 C ATOM 361 CD PRO A 21 8.925 7.410 -3.509 1.00 0.00 C ATOM 0 HA PRO A 21 6.933 5.985 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.487 8.752 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.342 8.064 -0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.555 9.461 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.410 8.497 -1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.719 7.798 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.977 7.124 -3.488 1.00 0.00 H new ATOM 369 N ALA A 22 4.691 5.995 -2.321 1.00 0.00 N ATOM 370 CA ALA A 22 3.322 5.775 -2.794 1.00 0.00 C ATOM 371 C ALA A 22 2.338 5.797 -1.610 1.00 0.00 C ATOM 372 O ALA A 22 2.527 6.596 -0.693 1.00 0.00 O ATOM 373 CB ALA A 22 3.311 4.469 -3.609 1.00 0.00 C ATOM 0 H ALA A 22 4.846 5.659 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 22 2.985 6.576 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.303 4.277 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.993 4.562 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.630 3.642 -2.975 1.00 0.00 H new ATOM 379 N PHE A 23 1.276 4.970 -1.635 1.00 0.00 N ATOM 380 CA PHE A 23 0.264 4.877 -0.576 1.00 0.00 C ATOM 381 C PHE A 23 -0.124 3.407 -0.299 1.00 0.00 C ATOM 382 O PHE A 23 0.140 2.505 -1.094 1.00 0.00 O ATOM 383 CB PHE A 23 -1.029 5.606 -0.985 1.00 0.00 C ATOM 384 CG PHE A 23 -0.926 7.082 -1.319 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.299 7.502 -2.509 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.471 8.047 -0.443 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.077 8.876 -2.746 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.246 9.420 -0.671 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.539 9.834 -1.819 1.00 0.00 C ATOM 0 H PHE A 23 1.097 4.334 -2.413 1.00 0.00 H new ATOM 0 HA PHE A 23 0.705 5.332 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.444 5.093 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.749 5.494 -0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.012 6.772 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.062 7.732 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.446 9.193 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.614 10.153 0.032 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.351 10.884 -1.988 1.00 0.00 H new ATOM 399 N TYR A 24 -0.804 3.203 0.835 1.00 0.00 N ATOM 400 CA TYR A 24 -1.330 1.948 1.363 1.00 0.00 C ATOM 401 C TYR A 24 -2.664 2.208 2.075 1.00 0.00 C ATOM 402 O TYR A 24 -2.794 3.219 2.763 1.00 0.00 O ATOM 403 CB TYR A 24 -0.324 1.307 2.342 1.00 0.00 C ATOM 404 CG TYR A 24 -0.420 1.763 3.800 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.033 3.071 4.167 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.949 0.898 4.788 1.00 0.00 C ATOM 407 CE1 TYR A 24 -0.068 3.474 5.517 1.00 0.00 C ATOM 408 CE2 TYR A 24 -1.006 1.308 6.137 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.552 2.592 6.505 1.00 0.00 C ATOM 410 OH TYR A 24 -0.572 2.983 7.813 1.00 0.00 O ATOM 0 H TYR A 24 -1.016 3.983 1.458 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.491 1.258 0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.457 0.226 2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.684 1.515 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.292 3.767 3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.311 -0.080 4.508 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.276 4.459 5.795 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.398 0.638 6.888 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.692 3.954 7.862 1.00 0.00 H new ATOM 420 N TYR A 25 -3.606 1.255 2.011 1.00 0.00 N ATOM 421 CA TYR A 25 -4.920 1.373 2.643 1.00 0.00 C ATOM 422 C TYR A 25 -4.720 1.079 4.127 1.00 0.00 C ATOM 423 O TYR A 25 -4.510 -0.081 4.487 1.00 0.00 O ATOM 424 CB TYR A 25 -5.912 0.374 2.006 1.00 0.00 C ATOM 425 CG TYR A 25 -7.223 0.124 2.754 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.810 1.119 3.572 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.868 -1.129 2.629 1.00 0.00 C ATOM 428 CE1 TYR A 25 -8.992 0.848 4.292 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.097 -1.371 3.278 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.641 -0.397 4.141 1.00 0.00 C ATOM 431 OH TYR A 25 -10.803 -0.653 4.811 1.00 0.00 O ATOM 0 H TYR A 25 -3.472 0.375 1.514 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.340 2.369 2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.156 0.730 1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.402 -0.582 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.349 2.093 3.645 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.416 -1.907 2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.401 1.593 4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.621 -2.301 3.114 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.115 -1.556 4.592 1.00 0.00 H new ATOM 441 N ASN A 26 -4.779 2.117 4.987 1.00 0.00 N ATOM 442 CA ASN A 26 -4.586 1.908 6.410 1.00 0.00 C ATOM 443 C ASN A 26 -5.891 1.377 7.007 1.00 0.00 C ATOM 444 O ASN A 26 -6.876 2.114 7.084 1.00 0.00 O ATOM 445 CB ASN A 26 -4.175 3.240 7.054 1.00 0.00 C ATOM 446 CG ASN A 26 -3.824 3.164 8.544 1.00 0.00 C ATOM 447 OD1 ASN A 26 -4.015 4.141 9.266 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.305 2.028 9.020 1.00 0.00 N ATOM 0 H ASN A 26 -4.956 3.084 4.715 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.798 1.179 6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.315 3.636 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.988 3.954 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.056 1.955 10.006 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.158 1.234 8.397 1.00 0.00 H new ATOM 455 N GLN A 27 -5.893 0.104 7.434 1.00 0.00 N ATOM 456 CA GLN A 27 -7.057 -0.552 8.025 1.00 0.00 C ATOM 457 C GLN A 27 -7.134 -0.285 9.540 1.00 0.00 C ATOM 458 O GLN A 27 -7.334 -1.189 10.351 1.00 0.00 O ATOM 459 CB GLN A 27 -7.014 -2.058 7.707 1.00 0.00 C ATOM 460 CG GLN A 27 -6.861 -2.335 6.204 1.00 0.00 C ATOM 461 CD GLN A 27 -7.004 -3.826 5.896 1.00 0.00 C ATOM 462 OE1 GLN A 27 -6.109 -4.609 6.209 1.00 0.00 O ATOM 463 NE2 GLN A 27 -8.127 -4.225 5.291 1.00 0.00 N ATOM 0 H GLN A 27 -5.074 -0.501 7.375 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.965 -0.135 7.588 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.184 -2.516 8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.928 -2.529 8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.613 -1.773 5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.887 -1.983 5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.845 -3.543 5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.266 -5.212 5.072 1.00 0.00 H new ATOM 472 N LYS A 28 -6.973 0.994 9.887 1.00 0.00 N ATOM 473 CA LYS A 28 -7.025 1.625 11.207 1.00 0.00 C ATOM 474 C LYS A 28 -7.891 2.882 11.053 1.00 0.00 C ATOM 475 O LYS A 28 -8.705 3.230 11.908 1.00 0.00 O ATOM 476 CB LYS A 28 -5.608 1.934 11.715 1.00 0.00 C ATOM 477 CG LYS A 28 -5.616 2.579 13.110 1.00 0.00 C ATOM 478 CD LYS A 28 -4.200 2.808 13.667 1.00 0.00 C ATOM 479 CE LYS A 28 -3.312 3.715 12.798 1.00 0.00 C ATOM 480 NZ LYS A 28 -3.926 5.030 12.542 1.00 0.00 N ATOM 0 H LYS A 28 -6.781 1.691 9.167 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.464 0.967 11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.027 1.012 11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.110 2.601 11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.142 3.533 13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.174 1.942 13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.281 3.246 14.662 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.708 1.842 13.783 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.350 3.857 13.291 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.113 3.220 11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.274 5.614 11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.815 4.902 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.124 5.503 13.447 1.00 0.00 H new ATOM 494 N LYS A 29 -7.679 3.526 9.907 1.00 0.00 N ATOM 495 CA LYS A 29 -8.288 4.683 9.330 1.00 0.00 C ATOM 496 C LYS A 29 -9.413 4.155 8.463 1.00 0.00 C ATOM 497 O LYS A 29 -10.290 3.432 8.948 1.00 0.00 O ATOM 498 CB LYS A 29 -7.158 5.444 8.609 1.00 0.00 C ATOM 499 CG LYS A 29 -7.533 6.820 8.025 1.00 0.00 C ATOM 500 CD LYS A 29 -7.130 7.997 8.931 1.00 0.00 C ATOM 501 CE LYS A 29 -7.792 7.986 10.317 1.00 0.00 C ATOM 502 NZ LYS A 29 -9.260 8.091 10.238 1.00 0.00 N ATOM 0 H LYS A 29 -6.957 3.175 9.278 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.738 5.400 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.335 5.582 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.785 4.817 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.053 6.938 7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.609 6.854 7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.048 7.987 9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.383 8.930 8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.523 7.067 10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.402 8.814 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.663 8.045 11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.520 8.996 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.634 7.306 9.667 1.00 0.00 H new ATOM 516 N LYS A 30 -9.385 4.513 7.186 1.00 0.00 N ATOM 517 CA LYS A 30 -10.443 4.193 6.251 1.00 0.00 C ATOM 518 C LYS A 30 -10.074 4.423 4.769 1.00 0.00 C ATOM 519 O LYS A 30 -10.973 4.350 3.929 1.00 0.00 O ATOM 520 CB LYS A 30 -11.670 5.084 6.609 1.00 0.00 C ATOM 521 CG LYS A 30 -11.608 6.086 7.772 1.00 0.00 C ATOM 522 CD LYS A 30 -12.977 6.744 8.010 1.00 0.00 C ATOM 523 CE LYS A 30 -12.942 7.757 9.164 1.00 0.00 C ATOM 524 NZ LYS A 30 -12.137 8.947 8.836 1.00 0.00 N ATOM 0 H LYS A 30 -8.616 5.039 6.771 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.649 3.127 6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.926 5.650 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.504 4.412 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.284 5.575 8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.865 6.854 7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.300 7.246 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.716 5.973 8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.959 8.064 9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.533 7.278 10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.156 9.610 9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.155 8.661 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.531 9.411 7.993 1.00 0.00 H new ATOM 538 N GLN A 31 -8.806 4.693 4.414 1.00 0.00 N ATOM 539 CA GLN A 31 -8.417 4.973 3.037 1.00 0.00 C ATOM 540 C GLN A 31 -6.908 4.833 2.893 1.00 0.00 C ATOM 541 O GLN A 31 -6.214 4.385 3.809 1.00 0.00 O ATOM 542 CB GLN A 31 -8.914 6.369 2.595 1.00 0.00 C ATOM 543 CG GLN A 31 -8.180 7.564 3.233 1.00 0.00 C ATOM 544 CD GLN A 31 -8.707 7.975 4.615 1.00 0.00 C ATOM 545 OE1 GLN A 31 -9.755 7.518 5.065 1.00 0.00 O ATOM 546 NE2 GLN A 31 -7.978 8.863 5.297 1.00 0.00 N ATOM 0 H GLN A 31 -8.031 4.721 5.077 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.890 4.247 2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.820 6.443 1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.975 6.449 2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.122 7.318 3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.254 8.419 2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.112 9.225 4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.288 9.178 6.216 1.00 0.00 H new ATOM 555 N CYS A 32 -6.397 5.260 1.734 1.00 0.00 N ATOM 556 CA CYS A 32 -5.000 5.163 1.422 1.00 0.00 C ATOM 557 C CYS A 32 -4.222 6.324 2.007 1.00 0.00 C ATOM 558 O CYS A 32 -4.359 7.474 1.589 1.00 0.00 O ATOM 559 CB CYS A 32 -4.800 5.070 -0.082 1.00 0.00 C ATOM 560 SG CYS A 32 -3.718 3.761 -0.706 1.00 0.00 S ATOM 0 H CYS A 32 -6.958 5.682 0.994 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.612 4.252 1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.779 4.944 -0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.405 6.025 -0.428 1.00 0.00 H new ATOM 565 N GLU A 33 -3.427 5.985 3.014 1.00 0.00 N ATOM 566 CA GLU A 33 -2.506 6.838 3.691 1.00 0.00 C ATOM 567 C GLU A 33 -1.206 6.642 2.901 1.00 0.00 C ATOM 568 O GLU A 33 -1.044 5.652 2.193 1.00 0.00 O ATOM 569 CB GLU A 33 -2.407 6.337 5.122 1.00 0.00 C ATOM 570 CG GLU A 33 -3.743 6.298 5.882 1.00 0.00 C ATOM 571 CD GLU A 33 -4.426 7.666 5.929 1.00 0.00 C ATOM 572 OE1 GLU A 33 -5.154 7.974 4.960 1.00 0.00 O ATOM 573 OE2 GLU A 33 -4.207 8.385 6.928 1.00 0.00 O ATOM 0 H GLU A 33 -3.422 5.038 3.392 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.773 7.894 3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.980 5.334 5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.712 6.974 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.409 5.579 5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.570 5.946 6.899 1.00 0.00 H new ATOM 580 N GLY A 34 -0.243 7.543 3.019 1.00 0.00 N ATOM 581 CA GLY A 34 0.984 7.388 2.234 1.00 0.00 C ATOM 582 C GLY A 34 1.978 6.432 2.888 1.00 0.00 C ATOM 583 O GLY A 34 1.983 6.317 4.115 1.00 0.00 O ATOM 0 H GLY A 34 -0.276 8.362 3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.731 7.020 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.454 8.363 2.104 1.00 0.00 H new ATOM 587 N PHE A 35 2.809 5.738 2.088 1.00 0.00 N ATOM 588 CA PHE A 35 3.804 4.837 2.664 1.00 0.00 C ATOM 589 C PHE A 35 5.024 4.947 1.732 1.00 0.00 C ATOM 590 O PHE A 35 4.861 5.082 0.515 1.00 0.00 O ATOM 591 CB PHE A 35 3.326 3.369 2.736 1.00 0.00 C ATOM 592 CG PHE A 35 3.457 2.416 1.559 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.964 2.719 0.280 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.145 1.196 1.767 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.093 1.785 -0.769 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.264 0.254 0.726 1.00 0.00 C ATOM 597 CZ PHE A 35 3.734 0.548 -0.545 1.00 0.00 C ATOM 0 H PHE A 35 2.808 5.786 1.069 1.00 0.00 H new ATOM 0 HA PHE A 35 4.018 5.120 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.853 2.909 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.269 3.396 3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.485 3.670 0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.582 0.986 2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.700 2.018 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.759 -0.689 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.818 -0.171 -1.346 1.00 0.00 H new ATOM 607 N THR A 36 6.246 4.884 2.278 1.00 0.00 N ATOM 608 CA THR A 36 7.459 4.991 1.465 1.00 0.00 C ATOM 609 C THR A 36 8.014 3.595 1.176 1.00 0.00 C ATOM 610 O THR A 36 8.363 2.872 2.108 1.00 0.00 O ATOM 611 CB THR A 36 8.521 5.890 2.125 1.00 0.00 C ATOM 612 OG1 THR A 36 7.960 7.141 2.476 1.00 0.00 O ATOM 613 CG2 THR A 36 9.669 6.127 1.126 1.00 0.00 C ATOM 0 H THR A 36 6.418 4.760 3.276 1.00 0.00 H new ATOM 0 HA THR A 36 7.193 5.468 0.522 1.00 0.00 H new ATOM 0 HB THR A 36 8.890 5.397 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.646 7.701 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.426 6.763 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.116 5.171 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.279 6.615 0.233 1.00 0.00 H new ATOM 621 N TRP A 37 8.110 3.231 -0.114 1.00 0.00 N ATOM 622 CA TRP A 37 8.638 1.931 -0.544 1.00 0.00 C ATOM 623 C TRP A 37 10.154 1.890 -0.309 1.00 0.00 C ATOM 624 O TRP A 37 10.828 2.908 -0.472 1.00 0.00 O ATOM 625 CB TRP A 37 8.317 1.763 -2.020 1.00 0.00 C ATOM 626 CG TRP A 37 8.636 0.490 -2.736 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.836 -0.595 -2.808 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.777 0.204 -3.596 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.289 -1.429 -3.809 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.447 -0.939 -4.383 1.00 0.00 C ATOM 631 CE3 TRP A 37 10.990 0.872 -3.900 1.00 0.00 C ATOM 632 CZ2 TRP A 37 10.224 -1.325 -5.491 1.00 0.00 C ATOM 633 CZ3 TRP A 37 11.807 0.442 -4.971 1.00 0.00 C ATOM 634 CH2 TRP A 37 11.419 -0.644 -5.775 1.00 0.00 C ATOM 0 H TRP A 37 7.823 3.832 -0.886 1.00 0.00 H new ATOM 0 HA TRP A 37 8.186 1.119 0.026 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.247 1.935 -2.136 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.828 2.565 -2.552 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.977 -0.781 -2.181 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.829 -2.295 -4.089 1.00 0.00 H new ATOM 0 HE3 TRP A 37 11.294 1.721 -3.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.903 -2.142 -6.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.737 0.952 -5.173 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.036 -0.953 -6.606 1.00 0.00 H new ATOM 645 N SER A 38 10.692 0.712 0.038 1.00 0.00 N ATOM 646 CA SER A 38 12.108 0.540 0.334 1.00 0.00 C ATOM 647 C SER A 38 12.940 0.443 -0.950 1.00 0.00 C ATOM 648 O SER A 38 13.414 1.462 -1.444 1.00 0.00 O ATOM 649 CB SER A 38 12.299 -0.660 1.271 1.00 0.00 C ATOM 650 OG SER A 38 13.622 -0.710 1.751 1.00 0.00 O ATOM 0 H SER A 38 10.149 -0.147 0.120 1.00 0.00 H new ATOM 0 HA SER A 38 12.478 1.423 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.605 -0.588 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.064 -1.583 0.741 1.00 0.00 H new ATOM 0 HG SER A 38 13.919 0.194 1.987 1.00 0.00 H new ATOM 656 N GLY A 39 13.114 -0.758 -1.515 1.00 0.00 N ATOM 657 CA GLY A 39 13.927 -0.932 -2.708 1.00 0.00 C ATOM 658 C GLY A 39 13.879 -2.339 -3.300 1.00 0.00 C ATOM 659 O GLY A 39 13.890 -2.482 -4.522 1.00 0.00 O ATOM 0 H GLY A 39 12.699 -1.619 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.598 -0.220 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.961 -0.686 -2.468 1.00 0.00 H new ATOM 663 N CYS A 40 13.831 -3.370 -2.441 1.00 0.00 N ATOM 664 CA CYS A 40 13.849 -4.765 -2.846 1.00 0.00 C ATOM 665 C CYS A 40 13.375 -5.677 -1.699 1.00 0.00 C ATOM 666 O CYS A 40 14.193 -6.196 -0.939 1.00 0.00 O ATOM 667 CB CYS A 40 15.290 -5.103 -3.312 1.00 0.00 C ATOM 668 SG CYS A 40 16.712 -4.883 -2.168 1.00 0.00 S ATOM 0 H CYS A 40 13.778 -3.244 -1.430 1.00 0.00 H new ATOM 0 HA CYS A 40 13.156 -4.936 -3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 40 15.290 -6.146 -3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 40 15.492 -4.500 -4.197 1.00 0.00 H new ATOM 673 N GLY A 41 12.053 -5.884 -1.571 1.00 0.00 N ATOM 674 CA GLY A 41 11.474 -6.745 -0.540 1.00 0.00 C ATOM 675 C GLY A 41 9.993 -6.467 -0.247 1.00 0.00 C ATOM 676 O GLY A 41 9.429 -5.464 -0.687 1.00 0.00 O ATOM 0 H GLY A 41 11.359 -5.455 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.583 -7.785 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.044 -6.624 0.381 1.00 0.00 H new ATOM 680 N GLY A 42 9.375 -7.384 0.516 1.00 0.00 N ATOM 681 CA GLY A 42 7.982 -7.335 0.948 1.00 0.00 C ATOM 682 C GLY A 42 6.959 -7.689 -0.141 1.00 0.00 C ATOM 683 O GLY A 42 7.313 -7.891 -1.303 1.00 0.00 O ATOM 0 H GLY A 42 9.860 -8.213 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.852 -8.020 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.766 -6.333 1.318 1.00 0.00 H new ATOM 687 N ASN A 43 5.678 -7.763 0.260 1.00 0.00 N ATOM 688 CA ASN A 43 4.528 -8.078 -0.588 1.00 0.00 C ATOM 689 C ASN A 43 4.177 -6.860 -1.457 1.00 0.00 C ATOM 690 O ASN A 43 4.989 -6.459 -2.293 1.00 0.00 O ATOM 691 CB ASN A 43 3.346 -8.569 0.282 1.00 0.00 C ATOM 692 CG ASN A 43 3.661 -9.806 1.135 1.00 0.00 C ATOM 693 OD1 ASN A 43 4.655 -10.496 0.915 1.00 0.00 O ATOM 694 ND2 ASN A 43 2.804 -10.093 2.119 1.00 0.00 N ATOM 0 H ASN A 43 5.410 -7.596 1.230 1.00 0.00 H new ATOM 0 HA ASN A 43 4.772 -8.894 -1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.033 -7.758 0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.501 -8.796 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.965 -10.905 2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.989 -9.500 2.275 1.00 0.00 H new ATOM 701 N SER A 44 2.982 -6.274 -1.277 1.00 0.00 N ATOM 702 CA SER A 44 2.522 -5.129 -2.050 1.00 0.00 C ATOM 703 C SER A 44 1.696 -4.135 -1.216 1.00 0.00 C ATOM 704 O SER A 44 2.284 -3.328 -0.494 1.00 0.00 O ATOM 705 CB SER A 44 1.760 -5.642 -3.286 1.00 0.00 C ATOM 706 OG SER A 44 2.633 -6.272 -4.202 1.00 0.00 O ATOM 0 H SER A 44 2.307 -6.592 -0.581 1.00 0.00 H new ATOM 0 HA SER A 44 3.389 -4.556 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.988 -6.345 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.254 -4.810 -3.776 1.00 0.00 H new ATOM 0 HG SER A 44 2.122 -6.589 -4.976 1.00 0.00 H new ATOM 712 N ASN A 45 0.351 -4.176 -1.318 1.00 0.00 N ATOM 713 CA ASN A 45 -0.587 -3.232 -0.679 1.00 0.00 C ATOM 714 C ASN A 45 -0.179 -1.778 -1.068 1.00 0.00 C ATOM 715 O ASN A 45 -0.367 -0.822 -0.320 1.00 0.00 O ATOM 716 CB ASN A 45 -0.722 -3.577 0.832 1.00 0.00 C ATOM 717 CG ASN A 45 -1.392 -2.545 1.756 1.00 0.00 C ATOM 718 OD1 ASN A 45 -0.844 -2.228 2.808 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.578 -2.028 1.421 1.00 0.00 N ATOM 0 H ASN A 45 -0.127 -4.891 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.610 -3.322 -1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.282 -4.509 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.278 -3.772 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.038 -1.362 2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.023 -2.299 0.544 1.00 0.00 H new ATOM 726 N ARG A 46 0.426 -1.660 -2.265 1.00 0.00 N ATOM 727 CA ARG A 46 0.965 -0.511 -2.976 1.00 0.00 C ATOM 728 C ARG A 46 -0.066 0.136 -3.908 1.00 0.00 C ATOM 729 O ARG A 46 -0.624 -0.562 -4.756 1.00 0.00 O ATOM 730 CB ARG A 46 2.162 -1.051 -3.772 1.00 0.00 C ATOM 731 CG ARG A 46 3.038 0.023 -4.435 1.00 0.00 C ATOM 732 CD ARG A 46 4.105 -0.608 -5.346 1.00 0.00 C ATOM 733 NE ARG A 46 4.972 -1.557 -4.622 1.00 0.00 N ATOM 734 CZ ARG A 46 4.803 -2.891 -4.517 1.00 0.00 C ATOM 735 NH1 ARG A 46 3.804 -3.531 -5.147 1.00 0.00 N ATOM 736 NH2 ARG A 46 5.647 -3.600 -3.754 1.00 0.00 N ATOM 0 H ARG A 46 0.561 -2.500 -2.827 1.00 0.00 H new ATOM 0 HA ARG A 46 1.253 0.276 -2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.785 -1.645 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.791 -1.724 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.411 0.697 -5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.523 0.625 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.615 -1.125 -6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.718 0.180 -5.783 1.00 0.00 H new ATOM 0 HE ARG A 46 5.786 -1.162 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.147 -3.007 -5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.703 -4.541 -5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.406 -3.130 -3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.530 -4.609 -3.666 1.00 0.00 H new ATOM 750 N PHE A 47 -0.283 1.458 -3.808 1.00 0.00 N ATOM 751 CA PHE A 47 -1.219 2.205 -4.614 1.00 0.00 C ATOM 752 C PHE A 47 -0.682 3.626 -4.856 1.00 0.00 C ATOM 753 O PHE A 47 -0.203 4.273 -3.930 1.00 0.00 O ATOM 754 CB PHE A 47 -2.528 2.175 -3.839 1.00 0.00 C ATOM 755 CG PHE A 47 -3.274 0.860 -4.022 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.916 0.571 -5.248 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.249 -0.117 -2.999 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.520 -0.688 -5.453 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.803 -1.394 -3.226 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.449 -1.676 -4.448 1.00 0.00 C ATOM 0 H PHE A 47 0.214 2.042 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.369 1.783 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.325 2.331 -2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.162 2.999 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.944 1.316 -6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.805 0.116 -2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.036 -0.895 -6.379 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.733 -2.156 -2.464 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.889 -2.648 -4.614 1.00 0.00 H new ATOM 770 N LYS A 48 -0.783 4.111 -6.103 1.00 0.00 N ATOM 771 CA LYS A 48 -0.306 5.404 -6.582 1.00 0.00 C ATOM 772 C LYS A 48 -1.125 6.581 -6.066 1.00 0.00 C ATOM 773 O LYS A 48 -0.562 7.519 -5.508 1.00 0.00 O ATOM 774 CB LYS A 48 -0.351 5.373 -8.121 1.00 0.00 C ATOM 775 CG LYS A 48 0.591 6.384 -8.779 1.00 0.00 C ATOM 776 CD LYS A 48 2.071 5.977 -8.677 1.00 0.00 C ATOM 777 CE LYS A 48 3.001 7.005 -9.338 1.00 0.00 C ATOM 778 NZ LYS A 48 2.772 7.119 -10.790 1.00 0.00 N ATOM 0 H LYS A 48 -1.229 3.572 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 48 0.706 5.556 -6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.093 4.371 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.371 5.570 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.321 6.494 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.454 7.359 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.344 5.864 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.212 5.005 -9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.851 7.979 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.038 6.721 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.509 7.720 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.807 6.174 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.838 7.544 -10.962 1.00 0.00 H new ATOM 792 N THR A 49 -2.435 6.555 -6.330 1.00 0.00 N ATOM 793 CA THR A 49 -3.373 7.592 -5.886 1.00 0.00 C ATOM 794 C THR A 49 -4.378 6.972 -4.909 1.00 0.00 C ATOM 795 O THR A 49 -4.638 5.769 -4.938 1.00 0.00 O ATOM 796 CB THR A 49 -4.037 8.346 -7.064 1.00 0.00 C ATOM 797 OG1 THR A 49 -5.117 7.619 -7.611 1.00 0.00 O ATOM 798 CG2 THR A 49 -3.048 8.649 -8.200 1.00 0.00 C ATOM 0 H THR A 49 -2.879 5.807 -6.863 1.00 0.00 H new ATOM 0 HA THR A 49 -2.820 8.368 -5.357 1.00 0.00 H new ATOM 0 HB THR A 49 -4.395 9.283 -6.638 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.512 8.127 -8.351 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.565 9.178 -9.001 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.236 9.269 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.641 7.715 -8.587 1.00 0.00 H new ATOM 806 N ILE A 50 -4.942 7.813 -4.035 1.00 0.00 N ATOM 807 CA ILE A 50 -5.910 7.419 -3.014 1.00 0.00 C ATOM 808 C ILE A 50 -7.235 6.929 -3.623 1.00 0.00 C ATOM 809 O ILE A 50 -7.952 6.143 -3.003 1.00 0.00 O ATOM 810 CB ILE A 50 -6.126 8.602 -2.029 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.777 9.128 -1.478 1.00 0.00 C ATOM 812 CG2 ILE A 50 -7.028 8.177 -0.854 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.917 10.302 -0.497 1.00 0.00 C ATOM 0 H ILE A 50 -4.730 8.811 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.507 6.569 -2.464 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.613 9.403 -2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.257 8.311 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.151 9.440 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.166 9.020 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.997 7.857 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.560 7.353 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.929 10.612 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.407 11.137 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.514 9.991 0.360 1.00 0.00 H new ATOM 825 N GLU A 51 -7.534 7.337 -4.861 1.00 0.00 N ATOM 826 CA GLU A 51 -8.760 6.986 -5.565 1.00 0.00 C ATOM 827 C GLU A 51 -8.633 5.568 -6.064 1.00 0.00 C ATOM 828 O GLU A 51 -9.463 4.718 -5.782 1.00 0.00 O ATOM 829 CB GLU A 51 -9.015 7.988 -6.703 1.00 0.00 C ATOM 830 CG GLU A 51 -8.988 9.434 -6.189 1.00 0.00 C ATOM 831 CD GLU A 51 -9.577 10.409 -7.209 1.00 0.00 C ATOM 832 OE1 GLU A 51 -8.807 10.844 -8.094 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.788 10.698 -7.094 1.00 0.00 O ATOM 0 H GLU A 51 -6.913 7.933 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.621 7.040 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.259 7.861 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.981 7.781 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.550 9.499 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.961 9.721 -5.963 1.00 0.00 H new ATOM 840 N GLU A 52 -7.551 5.367 -6.799 1.00 0.00 N ATOM 841 CA GLU A 52 -7.064 4.124 -7.372 1.00 0.00 C ATOM 842 C GLU A 52 -6.978 3.047 -6.287 1.00 0.00 C ATOM 843 O GLU A 52 -7.268 1.877 -6.535 1.00 0.00 O ATOM 844 CB GLU A 52 -5.667 4.436 -7.944 1.00 0.00 C ATOM 845 CG GLU A 52 -5.743 4.957 -9.385 1.00 0.00 C ATOM 846 CD GLU A 52 -4.367 5.349 -9.933 1.00 0.00 C ATOM 847 OE1 GLU A 52 -3.452 4.500 -9.848 1.00 0.00 O ATOM 848 OE2 GLU A 52 -4.253 6.486 -10.441 1.00 0.00 O ATOM 0 H GLU A 52 -6.933 6.145 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.730 3.748 -8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.174 5.178 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.053 3.536 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.181 4.190 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.407 5.821 -9.422 1.00 0.00 H new ATOM 855 N CYS A 53 -6.564 3.460 -5.083 1.00 0.00 N ATOM 856 CA CYS A 53 -6.463 2.618 -3.912 1.00 0.00 C ATOM 857 C CYS A 53 -7.872 2.221 -3.506 1.00 0.00 C ATOM 858 O CYS A 53 -8.185 1.034 -3.492 1.00 0.00 O ATOM 859 CB CYS A 53 -5.782 3.394 -2.790 1.00 0.00 C ATOM 860 SG CYS A 53 -5.057 2.414 -1.448 1.00 0.00 S ATOM 0 H CYS A 53 -6.283 4.424 -4.904 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.871 1.726 -4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.994 4.006 -3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.512 4.077 -2.357 1.00 0.00 H new ATOM 865 N ARG A 54 -8.725 3.224 -3.227 1.00 0.00 N ATOM 866 CA ARG A 54 -10.100 2.945 -2.818 1.00 0.00 C ATOM 867 C ARG A 54 -10.931 2.221 -3.901 1.00 0.00 C ATOM 868 O ARG A 54 -11.870 1.515 -3.552 1.00 0.00 O ATOM 869 CB ARG A 54 -10.800 4.224 -2.343 1.00 0.00 C ATOM 870 CG ARG A 54 -10.235 4.762 -1.012 1.00 0.00 C ATOM 871 CD ARG A 54 -11.287 5.609 -0.281 1.00 0.00 C ATOM 872 NE ARG A 54 -11.435 6.938 -0.895 1.00 0.00 N ATOM 873 CZ ARG A 54 -12.291 7.288 -1.875 1.00 0.00 C ATOM 874 NH1 ARG A 54 -13.190 6.424 -2.373 1.00 0.00 N ATOM 875 NH2 ARG A 54 -12.243 8.534 -2.366 1.00 0.00 N ATOM 0 H ARG A 54 -8.486 4.214 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.033 2.251 -1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.701 4.992 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.865 4.026 -2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.926 3.930 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.346 5.363 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.246 5.092 -0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.002 5.721 0.765 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.824 7.674 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.238 5.472 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.825 6.719 -3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.565 9.202 -1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.884 8.815 -3.108 1.00 0.00 H new ATOM 889 N ARG A 55 -10.625 2.351 -5.200 1.00 0.00 N ATOM 890 CA ARG A 55 -11.354 1.681 -6.274 1.00 0.00 C ATOM 891 C ARG A 55 -11.322 0.147 -6.172 1.00 0.00 C ATOM 892 O ARG A 55 -12.273 -0.528 -6.564 1.00 0.00 O ATOM 893 CB ARG A 55 -10.663 2.084 -7.582 1.00 0.00 C ATOM 894 CG ARG A 55 -11.184 3.427 -8.109 1.00 0.00 C ATOM 895 CD ARG A 55 -12.456 3.297 -8.957 1.00 0.00 C ATOM 896 NE ARG A 55 -12.220 2.557 -10.208 1.00 0.00 N ATOM 897 CZ ARG A 55 -12.508 1.264 -10.452 1.00 0.00 C ATOM 898 NH1 ARG A 55 -13.033 0.463 -9.510 1.00 0.00 N ATOM 899 NH2 ARG A 55 -12.260 0.760 -11.669 1.00 0.00 N ATOM 0 H ARG A 55 -9.855 2.932 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.401 1.979 -6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.587 2.149 -7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.826 1.311 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.385 4.087 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.405 3.901 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.227 2.789 -8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.837 4.291 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.792 3.080 -10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.225 0.830 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.240 -0.512 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.859 1.354 -12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.473 -0.217 -11.869 1.00 0.00 H new ATOM 913 N THR A 56 -10.201 -0.369 -5.664 1.00 0.00 N ATOM 914 CA THR A 56 -9.864 -1.779 -5.509 1.00 0.00 C ATOM 915 C THR A 56 -10.032 -2.268 -4.066 1.00 0.00 C ATOM 916 O THR A 56 -10.579 -3.347 -3.851 1.00 0.00 O ATOM 917 CB THR A 56 -8.400 -1.968 -5.970 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.236 -1.482 -7.290 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.979 -3.443 -5.953 1.00 0.00 C ATOM 0 H THR A 56 -9.452 0.235 -5.326 1.00 0.00 H new ATOM 0 HA THR A 56 -10.548 -2.373 -6.115 1.00 0.00 H new ATOM 0 HB THR A 56 -7.776 -1.411 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.305 -1.605 -7.571 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.944 -3.530 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.070 -3.836 -4.940 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.623 -4.013 -6.623 1.00 0.00 H new ATOM 927 N CYS A 57 -9.546 -1.492 -3.088 1.00 0.00 N ATOM 928 CA CYS A 57 -9.557 -1.784 -1.676 1.00 0.00 C ATOM 929 C CYS A 57 -10.883 -1.479 -0.999 1.00 0.00 C ATOM 930 O CYS A 57 -11.309 -2.222 -0.114 1.00 0.00 O ATOM 931 CB CYS A 57 -8.435 -0.950 -1.044 1.00 0.00 C ATOM 932 SG CYS A 57 -6.722 -1.272 -1.571 1.00 0.00 S ATOM 0 H CYS A 57 -9.111 -0.592 -3.290 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.406 -2.855 -1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.651 0.101 -1.238 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.483 -1.091 0.036 1.00 0.00 H new ATOM 937 N ILE A 58 -11.506 -0.378 -1.414 1.00 0.00 N ATOM 938 CA ILE A 58 -12.788 0.087 -0.862 1.00 0.00 C ATOM 939 C ILE A 58 -13.975 -0.184 -1.806 1.00 0.00 C ATOM 940 O ILE A 58 -15.126 -0.044 -1.394 1.00 0.00 O ATOM 941 CB ILE A 58 -12.699 1.566 -0.446 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.465 1.872 0.434 1.00 0.00 C ATOM 943 CG2 ILE A 58 -13.937 2.017 0.355 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.332 1.038 1.697 1.00 0.00 C ATOM 0 H ILE A 58 -11.137 0.225 -2.149 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.986 -0.499 0.035 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.627 2.108 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.568 1.730 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.496 2.924 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.831 3.067 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.831 1.889 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.025 1.414 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.433 1.336 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.205 1.196 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.263 -0.017 1.431 1.00 0.00 H new ATOM 956 N ARG A 59 -13.697 -0.591 -3.052 1.00 0.00 N ATOM 957 CA ARG A 59 -14.644 -0.904 -4.122 1.00 0.00 C ATOM 958 C ARG A 59 -15.077 0.383 -4.857 1.00 0.00 C ATOM 959 O ARG A 59 -14.791 1.496 -4.412 1.00 0.00 O ATOM 960 CB ARG A 59 -15.839 -1.708 -3.575 1.00 0.00 C ATOM 961 CG ARG A 59 -16.237 -2.811 -4.561 1.00 0.00 C ATOM 962 CD ARG A 59 -17.568 -3.436 -4.154 1.00 0.00 C ATOM 963 NE ARG A 59 -17.486 -4.085 -2.835 1.00 0.00 N ATOM 964 CZ ARG A 59 -18.524 -4.402 -2.041 1.00 0.00 C ATOM 965 NH1 ARG A 59 -19.792 -4.200 -2.434 1.00 0.00 N ATOM 966 NH2 ARG A 59 -18.287 -4.931 -0.832 1.00 0.00 N ATOM 0 H ARG A 59 -12.732 -0.718 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.151 -1.538 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.579 -2.148 -2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.685 -1.043 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.315 -2.397 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.462 -3.577 -4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.340 -2.667 -4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.869 -4.169 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.554 -4.316 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.984 -3.798 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.564 -4.448 -1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.328 -5.089 -0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.066 -5.176 -0.221 1.00 0.00 H new ATOM 980 N LYS A 60 -15.785 0.226 -5.986 1.00 0.00 N ATOM 981 CA LYS A 60 -16.281 1.317 -6.822 1.00 0.00 C ATOM 982 C LYS A 60 -17.554 1.897 -6.191 1.00 0.00 C ATOM 983 O LYS A 60 -17.527 3.101 -5.855 1.00 0.00 O ATOM 984 CB LYS A 60 -16.556 0.778 -8.241 1.00 0.00 C ATOM 985 CG LYS A 60 -17.083 1.833 -9.230 1.00 0.00 C ATOM 986 CD LYS A 60 -16.048 2.925 -9.538 1.00 0.00 C ATOM 987 CE LYS A 60 -16.565 3.898 -10.605 1.00 0.00 C ATOM 988 NZ LYS A 60 -15.561 4.928 -10.926 1.00 0.00 N ATOM 989 OXT LYS A 60 -18.535 1.131 -6.054 1.00 0.00 O ATOM 0 H LYS A 60 -16.033 -0.694 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 60 -15.540 2.113 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.635 0.352 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.280 -0.034 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -17.374 1.342 -10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.981 2.294 -8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.813 3.474 -8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.122 2.465 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.823 3.346 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.479 4.376 -10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.942 5.570 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.333 5.470 -10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.699 4.472 -11.286 1.00 0.00 H new TER 1003 LYS A 60