USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 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 34 LYS NZ :NH3+ -168:sc= 0.387 (180deg=0.0185) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0.21 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.52) USER MOD Single : A 18 ASN : amide:sc= -0.83 K(o=-0.83,f=-4.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.24) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -117:sc= -0.682 (180deg=-2.53!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.029) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= -0.0521 (180deg=-0.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 61 SER OG : rot -46:sc= 0.357 USER MOD Single : A 65 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.308) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc=-0.00382 (180deg=-0.104) USER MOD Single : A 68 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.062) USER MOD Single : A 69 TYR OH : rot -161:sc= 0.514 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.599 5.037 0.657 1.00 0.00 N ATOM 67 CA ASP A 8 2.980 4.586 0.786 1.00 0.00 C ATOM 68 C ASP A 8 3.057 3.062 0.782 1.00 0.00 C ATOM 69 O ASP A 8 2.687 2.410 1.759 1.00 0.00 O ATOM 70 CB ASP A 8 3.601 5.137 2.070 1.00 0.00 C ATOM 71 CG ASP A 8 3.607 6.653 2.106 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.903 7.269 1.061 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.317 7.223 3.179 1.00 0.00 O ATOM 0 HA ASP A 8 3.540 4.962 -0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.048 4.758 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.623 4.770 2.162 1.00 0.00 H new ATOM 78 N TYR A 9 3.538 2.502 -0.322 1.00 0.00 N ATOM 79 CA TYR A 9 3.660 1.055 -0.454 1.00 0.00 C ATOM 80 C TYR A 9 4.534 0.478 0.656 1.00 0.00 C ATOM 81 O TYR A 9 4.267 -0.607 1.171 1.00 0.00 O ATOM 82 CB TYR A 9 4.247 0.694 -1.819 1.00 0.00 C ATOM 83 CG TYR A 9 3.358 1.077 -2.981 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.014 0.725 -2.998 1.00 0.00 C ATOM 85 CD2 TYR A 9 3.862 1.791 -4.061 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.198 1.072 -4.057 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.053 2.143 -5.124 1.00 0.00 C ATOM 88 CZ TYR A 9 1.722 1.781 -5.118 1.00 0.00 C ATOM 89 OH TYR A 9 0.913 2.129 -6.175 1.00 0.00 O ATOM 0 H TYR A 9 3.850 3.028 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 9 2.663 0.623 -0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.212 1.188 -1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.433 -0.380 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.600 0.170 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.904 2.076 -4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.156 0.790 -4.054 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.461 2.699 -5.955 1.00 0.00 H new ATOM 0 HH TYR A 9 1.436 2.626 -6.838 1.00 0.00 H new ATOM 99 N TYR A 10 5.579 1.214 1.020 1.00 0.00 N ATOM 100 CA TYR A 10 6.494 0.776 2.067 1.00 0.00 C ATOM 101 C TYR A 10 5.738 0.462 3.355 1.00 0.00 C ATOM 102 O TYR A 10 6.195 -0.331 4.178 1.00 0.00 O ATOM 103 CB TYR A 10 7.550 1.850 2.332 1.00 0.00 C ATOM 104 CG TYR A 10 8.493 2.071 1.171 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.437 1.112 0.824 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.440 3.239 0.420 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.300 1.310 -0.236 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.298 3.445 -0.643 1.00 0.00 C ATOM 109 CZ TYR A 10 10.227 2.478 -0.966 1.00 0.00 C ATOM 110 OH TYR A 10 11.085 2.679 -2.023 1.00 0.00 O ATOM 0 H TYR A 10 5.813 2.116 0.605 1.00 0.00 H new ATOM 0 HA TYR A 10 6.988 -0.134 1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.050 2.790 2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.129 1.569 3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.497 0.196 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.715 3.999 0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.028 0.554 -0.492 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.242 4.358 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 10 10.902 3.551 -2.432 1.00 0.00 H new ATOM 120 N GLN A 11 4.578 1.090 3.521 1.00 0.00 N ATOM 121 CA GLN A 11 3.758 0.879 4.708 1.00 0.00 C ATOM 122 C GLN A 11 2.850 -0.334 4.532 1.00 0.00 C ATOM 123 O GLN A 11 2.627 -1.096 5.474 1.00 0.00 O ATOM 124 CB GLN A 11 2.918 2.123 5.001 1.00 0.00 C ATOM 125 CG GLN A 11 3.674 3.203 5.758 1.00 0.00 C ATOM 126 CD GLN A 11 3.883 2.855 7.218 1.00 0.00 C ATOM 127 OE1 GLN A 11 2.975 2.362 7.887 1.00 0.00 O ATOM 128 NE2 GLN A 11 5.085 3.111 7.722 1.00 0.00 N ATOM 0 H GLN A 11 4.185 1.749 2.849 1.00 0.00 H new ATOM 0 HA GLN A 11 4.423 0.693 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.556 2.537 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.041 1.831 5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.643 3.363 5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.126 4.142 5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.809 3.520 7.132 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.284 2.898 8.699 1.00 0.00 H new ATOM 137 N ILE A 12 2.328 -0.506 3.323 1.00 0.00 N ATOM 138 CA ILE A 12 1.444 -1.626 3.025 1.00 0.00 C ATOM 139 C ILE A 12 2.171 -2.957 3.184 1.00 0.00 C ATOM 140 O ILE A 12 1.581 -3.952 3.608 1.00 0.00 O ATOM 141 CB ILE A 12 0.877 -1.531 1.596 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.032 -0.264 1.442 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.052 -2.767 1.270 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.374 0.021 0.013 1.00 0.00 C ATOM 0 H ILE A 12 2.502 0.116 2.533 1.00 0.00 H new ATOM 0 HA ILE A 12 0.621 -1.577 3.738 1.00 0.00 H new ATOM 0 HB ILE A 12 1.709 -1.478 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.865 -0.358 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.593 0.587 1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.342 -2.685 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.681 -3.654 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.775 -2.849 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.970 0.933 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.518 0.148 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.963 -0.812 -0.371 1.00 0.00 H new ATOM 156 N LEU A 13 3.454 -2.968 2.843 1.00 0.00 N ATOM 157 CA LEU A 13 4.264 -4.177 2.950 1.00 0.00 C ATOM 158 C LEU A 13 4.961 -4.248 4.305 1.00 0.00 C ATOM 159 O LEU A 13 5.345 -5.323 4.762 1.00 0.00 O ATOM 160 CB LEU A 13 5.302 -4.220 1.827 1.00 0.00 C ATOM 161 CG LEU A 13 4.777 -4.601 0.443 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.765 -4.184 -0.636 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.503 -6.096 0.368 1.00 0.00 C ATOM 0 H LEU A 13 3.957 -2.154 2.490 1.00 0.00 H new ATOM 0 HA LEU A 13 3.602 -5.038 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.774 -3.240 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.081 -4.930 2.106 1.00 0.00 H new ATOM 0 HG LEU A 13 3.839 -4.072 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.374 -4.463 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.911 -3.104 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.719 -4.685 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.130 -6.348 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.425 -6.645 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.757 -6.367 1.115 1.00 0.00 H new ATOM 175 N GLY A 14 5.118 -3.093 4.945 1.00 0.00 N ATOM 176 CA GLY A 14 5.767 -3.046 6.243 1.00 0.00 C ATOM 177 C GLY A 14 7.279 -3.034 6.135 1.00 0.00 C ATOM 178 O GLY A 14 7.969 -3.678 6.924 1.00 0.00 O ATOM 0 H GLY A 14 4.808 -2.189 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.437 -2.156 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.455 -3.907 6.833 1.00 0.00 H new ATOM 182 N VAL A 15 7.795 -2.300 5.155 1.00 0.00 N ATOM 183 CA VAL A 15 9.235 -2.207 4.946 1.00 0.00 C ATOM 184 C VAL A 15 9.704 -0.757 4.991 1.00 0.00 C ATOM 185 O VAL A 15 8.955 0.174 4.693 1.00 0.00 O ATOM 186 CB VAL A 15 9.648 -2.827 3.598 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.614 -4.346 3.677 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.746 -2.323 2.482 1.00 0.00 C ATOM 0 H VAL A 15 7.237 -1.761 4.493 1.00 0.00 H new ATOM 0 HA VAL A 15 9.709 -2.765 5.754 1.00 0.00 H new ATOM 0 HB VAL A 15 10.670 -2.521 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.909 -4.767 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.305 -4.686 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.604 -4.675 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.052 -2.771 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.713 -2.598 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.825 -1.238 2.412 1.00 0.00 H new ATOM 198 N PRO A 16 10.975 -0.558 5.372 1.00 0.00 N ATOM 199 CA PRO A 16 11.574 0.777 5.464 1.00 0.00 C ATOM 200 C PRO A 16 11.781 1.415 4.095 1.00 0.00 C ATOM 201 O PRO A 16 11.891 0.718 3.085 1.00 0.00 O ATOM 202 CB PRO A 16 12.921 0.515 6.142 1.00 0.00 C ATOM 203 CG PRO A 16 13.243 -0.901 5.810 1.00 0.00 C ATOM 204 CD PRO A 16 11.924 -1.620 5.742 1.00 0.00 C ATOM 0 HA PRO A 16 10.936 1.474 6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.689 1.193 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.857 0.664 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.774 -0.968 4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.890 -1.342 6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.940 -2.420 5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.665 -2.075 6.698 1.00 0.00 H new ATOM 212 N ARG A 17 11.835 2.742 4.067 1.00 0.00 N ATOM 213 CA ARG A 17 12.029 3.474 2.821 1.00 0.00 C ATOM 214 C ARG A 17 13.372 3.121 2.187 1.00 0.00 C ATOM 215 O ARG A 17 13.636 3.468 1.037 1.00 0.00 O ATOM 216 CB ARG A 17 11.951 4.981 3.072 1.00 0.00 C ATOM 217 CG ARG A 17 10.531 5.500 3.228 1.00 0.00 C ATOM 218 CD ARG A 17 9.959 5.154 4.594 1.00 0.00 C ATOM 219 NE ARG A 17 10.936 5.348 5.662 1.00 0.00 N ATOM 220 CZ ARG A 17 11.344 6.542 6.076 1.00 0.00 C ATOM 221 NH1 ARG A 17 10.862 7.643 5.516 1.00 0.00 N ATOM 222 NH2 ARG A 17 12.236 6.638 7.054 1.00 0.00 N ATOM 0 H ARG A 17 11.747 3.333 4.894 1.00 0.00 H new ATOM 0 HA ARG A 17 11.235 3.186 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.517 5.221 3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.431 5.504 2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.520 6.581 3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.899 5.074 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.083 5.773 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.623 4.117 4.594 1.00 0.00 H new ATOM 0 HE ARG A 17 11.326 4.521 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.176 7.575 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.178 8.558 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.609 5.794 7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.548 7.556 7.371 1.00 0.00 H new ATOM 236 N ASN A 18 14.216 2.431 2.947 1.00 0.00 N ATOM 237 CA ASN A 18 15.531 2.032 2.460 1.00 0.00 C ATOM 238 C ASN A 18 15.710 0.520 2.552 1.00 0.00 C ATOM 239 O ASN A 18 16.793 0.031 2.875 1.00 0.00 O ATOM 240 CB ASN A 18 16.629 2.737 3.260 1.00 0.00 C ATOM 241 CG ASN A 18 16.404 2.643 4.757 1.00 0.00 C ATOM 242 OD1 ASN A 18 15.897 1.639 5.258 1.00 0.00 O ATOM 243 ND2 ASN A 18 16.782 3.692 5.478 1.00 0.00 N ATOM 0 H ASN A 18 14.013 2.137 3.902 1.00 0.00 H new ATOM 0 HA ASN A 18 15.608 2.325 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.595 2.297 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.672 3.786 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.656 3.687 6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.198 4.503 5.020 1.00 0.00 H new ATOM 250 N ALA A 19 14.641 -0.215 2.265 1.00 0.00 N ATOM 251 CA ALA A 19 14.681 -1.672 2.313 1.00 0.00 C ATOM 252 C ALA A 19 15.521 -2.236 1.172 1.00 0.00 C ATOM 253 O ALA A 19 15.952 -1.501 0.284 1.00 0.00 O ATOM 254 CB ALA A 19 13.270 -2.240 2.263 1.00 0.00 C ATOM 0 H ALA A 19 13.737 0.174 1.997 1.00 0.00 H new ATOM 0 HA ALA A 19 15.147 -1.968 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.314 -3.328 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.699 -1.871 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.785 -1.928 1.338 1.00 0.00 H new ATOM 260 N SER A 20 15.750 -3.545 1.203 1.00 0.00 N ATOM 261 CA SER A 20 16.543 -4.206 0.174 1.00 0.00 C ATOM 262 C SER A 20 15.669 -5.113 -0.686 1.00 0.00 C ATOM 263 O SER A 20 14.756 -5.769 -0.185 1.00 0.00 O ATOM 264 CB SER A 20 17.669 -5.022 0.813 1.00 0.00 C ATOM 265 OG SER A 20 18.552 -5.530 -0.171 1.00 0.00 O ATOM 0 H SER A 20 15.398 -4.168 1.929 1.00 0.00 H new ATOM 0 HA SER A 20 16.978 -3.437 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.222 -4.397 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.245 -5.847 1.386 1.00 0.00 H new ATOM 0 HG SER A 20 19.263 -6.046 0.263 1.00 0.00 H new ATOM 271 N GLN A 21 15.956 -5.144 -1.984 1.00 0.00 N ATOM 272 CA GLN A 21 15.195 -5.970 -2.914 1.00 0.00 C ATOM 273 C GLN A 21 14.775 -7.282 -2.260 1.00 0.00 C ATOM 274 O GLN A 21 13.688 -7.798 -2.520 1.00 0.00 O ATOM 275 CB GLN A 21 16.021 -6.254 -4.170 1.00 0.00 C ATOM 276 CG GLN A 21 16.491 -4.998 -4.886 1.00 0.00 C ATOM 277 CD GLN A 21 15.480 -3.871 -4.811 1.00 0.00 C ATOM 278 OE1 GLN A 21 15.750 -2.816 -4.236 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.306 -4.088 -5.394 1.00 0.00 N ATOM 0 H GLN A 21 16.709 -4.607 -2.415 1.00 0.00 H new ATOM 0 HA GLN A 21 14.296 -5.422 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.890 -6.852 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.425 -6.853 -4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.433 -4.666 -4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.690 -5.233 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.124 -4.977 -5.860 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.586 -3.365 -5.376 1.00 0.00 H new ATOM 288 N LYS A 22 15.644 -7.818 -1.410 1.00 0.00 N ATOM 289 CA LYS A 22 15.364 -9.070 -0.717 1.00 0.00 C ATOM 290 C LYS A 22 14.202 -8.905 0.257 1.00 0.00 C ATOM 291 O LYS A 22 13.228 -9.655 0.207 1.00 0.00 O ATOM 292 CB LYS A 22 16.608 -9.550 0.034 1.00 0.00 C ATOM 293 CG LYS A 22 17.501 -10.463 -0.788 1.00 0.00 C ATOM 294 CD LYS A 22 18.548 -9.675 -1.557 1.00 0.00 C ATOM 295 CE LYS A 22 18.048 -9.283 -2.938 1.00 0.00 C ATOM 296 NZ LYS A 22 19.070 -8.512 -3.700 1.00 0.00 N ATOM 0 H LYS A 22 16.549 -7.405 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 22 15.087 -9.815 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.186 -8.683 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.297 -10.076 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.994 -11.179 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.892 -11.037 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.814 -8.778 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.455 -10.271 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.780 -10.181 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.141 -8.686 -2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.691 -8.264 -4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.307 -7.643 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.926 -9.091 -3.816 1.00 0.00 H new ATOM 310 N GLU A 23 14.311 -7.917 1.140 1.00 0.00 N ATOM 311 CA GLU A 23 13.268 -7.655 2.124 1.00 0.00 C ATOM 312 C GLU A 23 11.941 -7.341 1.439 1.00 0.00 C ATOM 313 O GLU A 23 10.875 -7.730 1.918 1.00 0.00 O ATOM 314 CB GLU A 23 13.673 -6.492 3.032 1.00 0.00 C ATOM 315 CG GLU A 23 14.481 -6.920 4.246 1.00 0.00 C ATOM 316 CD GLU A 23 15.720 -7.711 3.872 1.00 0.00 C ATOM 317 OE1 GLU A 23 16.602 -7.145 3.193 1.00 0.00 O ATOM 318 OE2 GLU A 23 15.807 -8.895 4.259 1.00 0.00 O ATOM 0 H GLU A 23 15.110 -7.286 1.194 1.00 0.00 H new ATOM 0 HA GLU A 23 13.142 -8.552 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.255 -5.776 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.774 -5.975 3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.776 -6.036 4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.853 -7.524 4.902 1.00 0.00 H new ATOM 325 N ILE A 24 12.014 -6.634 0.316 1.00 0.00 N ATOM 326 CA ILE A 24 10.819 -6.268 -0.434 1.00 0.00 C ATOM 327 C ILE A 24 10.079 -7.506 -0.927 1.00 0.00 C ATOM 328 O ILE A 24 8.859 -7.607 -0.797 1.00 0.00 O ATOM 329 CB ILE A 24 11.164 -5.375 -1.641 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.630 -3.997 -1.168 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.962 -5.246 -2.565 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.280 -3.172 -2.256 1.00 0.00 C ATOM 0 H ILE A 24 12.888 -6.304 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 24 10.176 -5.711 0.248 1.00 0.00 H new ATOM 0 HB ILE A 24 11.977 -5.841 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.775 -3.450 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.337 -4.123 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.221 -4.612 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.672 -6.233 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.130 -4.800 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.585 -2.208 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.155 -3.698 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.569 -3.014 -3.067 1.00 0.00 H new ATOM 344 N LYS A 25 10.825 -8.449 -1.494 1.00 0.00 N ATOM 345 CA LYS A 25 10.241 -9.683 -2.004 1.00 0.00 C ATOM 346 C LYS A 25 9.659 -10.520 -0.869 1.00 0.00 C ATOM 347 O LYS A 25 8.468 -10.831 -0.862 1.00 0.00 O ATOM 348 CB LYS A 25 11.295 -10.495 -2.761 1.00 0.00 C ATOM 349 CG LYS A 25 10.728 -11.704 -3.484 1.00 0.00 C ATOM 350 CD LYS A 25 11.816 -12.485 -4.203 1.00 0.00 C ATOM 351 CE LYS A 25 12.350 -11.720 -5.404 1.00 0.00 C ATOM 352 NZ LYS A 25 13.450 -10.791 -5.026 1.00 0.00 N ATOM 0 H LYS A 25 11.836 -8.381 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 25 9.434 -9.418 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.789 -9.848 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.059 -10.828 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.225 -12.354 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.976 -11.379 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.632 -12.695 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.420 -13.447 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.712 -12.425 -6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.539 -11.155 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.159 -9.811 -5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.661 -10.897 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.300 -11.015 -5.582 1.00 0.00 H new ATOM 366 N LYS A 26 10.506 -10.880 0.089 1.00 0.00 N ATOM 367 CA LYS A 26 10.076 -11.677 1.231 1.00 0.00 C ATOM 368 C LYS A 26 8.842 -11.067 1.888 1.00 0.00 C ATOM 369 O LYS A 26 7.843 -11.751 2.109 1.00 0.00 O ATOM 370 CB LYS A 26 11.207 -11.791 2.255 1.00 0.00 C ATOM 371 CG LYS A 26 11.035 -12.947 3.226 1.00 0.00 C ATOM 372 CD LYS A 26 12.376 -13.469 3.715 1.00 0.00 C ATOM 373 CE LYS A 26 12.876 -12.681 4.916 1.00 0.00 C ATOM 374 NZ LYS A 26 14.286 -13.020 5.254 1.00 0.00 N ATOM 0 H LYS A 26 11.495 -10.632 0.097 1.00 0.00 H new ATOM 0 HA LYS A 26 9.819 -12.673 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.153 -11.909 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.270 -10.860 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.438 -12.622 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.485 -13.753 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.282 -14.522 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.107 -13.409 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.799 -11.614 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.237 -12.885 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.589 -12.462 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.355 -14.033 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.899 -12.802 4.443 1.00 0.00 H new ATOM 388 N ALA A 27 8.917 -9.776 2.195 1.00 0.00 N ATOM 389 CA ALA A 27 7.805 -9.073 2.822 1.00 0.00 C ATOM 390 C ALA A 27 6.533 -9.207 1.991 1.00 0.00 C ATOM 391 O ALA A 27 5.438 -9.349 2.535 1.00 0.00 O ATOM 392 CB ALA A 27 8.154 -7.606 3.024 1.00 0.00 C ATOM 0 H ALA A 27 9.737 -9.196 2.019 1.00 0.00 H new ATOM 0 HA ALA A 27 7.622 -9.528 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.314 -7.093 3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.032 -7.526 3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.366 -7.146 2.059 1.00 0.00 H new ATOM 398 N TYR A 28 6.686 -9.159 0.673 1.00 0.00 N ATOM 399 CA TYR A 28 5.548 -9.272 -0.233 1.00 0.00 C ATOM 400 C TYR A 28 4.935 -10.667 -0.166 1.00 0.00 C ATOM 401 O TYR A 28 3.765 -10.827 0.184 1.00 0.00 O ATOM 402 CB TYR A 28 5.979 -8.959 -1.667 1.00 0.00 C ATOM 403 CG TYR A 28 4.959 -9.365 -2.707 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.677 -8.830 -2.697 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.278 -10.282 -3.701 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.742 -9.199 -3.645 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.350 -10.656 -4.653 1.00 0.00 C ATOM 408 CZ TYR A 28 3.083 -10.111 -4.621 1.00 0.00 C ATOM 409 OH TYR A 28 2.155 -10.480 -5.568 1.00 0.00 O ATOM 0 H TYR A 28 7.586 -9.043 0.207 1.00 0.00 H new ATOM 0 HA TYR A 28 4.794 -8.549 0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.170 -7.889 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.920 -9.469 -1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.407 -8.114 -1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.269 -10.710 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.749 -8.775 -3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.615 -11.371 -5.418 1.00 0.00 H new ATOM 0 HH TYR A 28 2.556 -11.129 -6.183 1.00 0.00 H new ATOM 419 N TYR A 29 5.733 -11.673 -0.504 1.00 0.00 N ATOM 420 CA TYR A 29 5.270 -13.056 -0.485 1.00 0.00 C ATOM 421 C TYR A 29 4.691 -13.417 0.879 1.00 0.00 C ATOM 422 O TYR A 29 3.623 -14.023 0.971 1.00 0.00 O ATOM 423 CB TYR A 29 6.418 -14.005 -0.832 1.00 0.00 C ATOM 424 CG TYR A 29 6.557 -14.271 -2.314 1.00 0.00 C ATOM 425 CD1 TYR A 29 7.314 -13.433 -3.122 1.00 0.00 C ATOM 426 CD2 TYR A 29 5.932 -15.363 -2.905 1.00 0.00 C ATOM 427 CE1 TYR A 29 7.443 -13.672 -4.477 1.00 0.00 C ATOM 428 CE2 TYR A 29 6.057 -15.610 -4.258 1.00 0.00 C ATOM 429 CZ TYR A 29 6.813 -14.762 -5.040 1.00 0.00 C ATOM 430 OH TYR A 29 6.940 -15.004 -6.389 1.00 0.00 O ATOM 0 H TYR A 29 6.704 -11.557 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 29 4.484 -13.160 -1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.351 -13.585 -0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.265 -14.952 -0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.811 -12.580 -2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.339 -16.029 -2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.034 -13.009 -5.092 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.565 -16.463 -4.702 1.00 0.00 H new ATOM 0 HH TYR A 29 6.436 -15.811 -6.626 1.00 0.00 H new ATOM 440 N GLN A 30 5.403 -13.041 1.936 1.00 0.00 N ATOM 441 CA GLN A 30 4.960 -13.325 3.296 1.00 0.00 C ATOM 442 C GLN A 30 3.532 -12.838 3.516 1.00 0.00 C ATOM 443 O GLN A 30 2.668 -13.596 3.960 1.00 0.00 O ATOM 444 CB GLN A 30 5.898 -12.666 4.309 1.00 0.00 C ATOM 445 CG GLN A 30 7.129 -13.499 4.630 1.00 0.00 C ATOM 446 CD GLN A 30 6.814 -14.686 5.518 1.00 0.00 C ATOM 447 OE1 GLN A 30 6.794 -14.571 6.744 1.00 0.00 O ATOM 448 NE2 GLN A 30 6.565 -15.837 4.903 1.00 0.00 N ATOM 0 H GLN A 30 6.289 -12.539 1.877 1.00 0.00 H new ATOM 0 HA GLN A 30 4.982 -14.405 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.216 -11.698 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.348 -12.476 5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.576 -13.853 3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.871 -12.870 5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.592 -15.887 3.885 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.347 -16.670 5.449 1.00 0.00 H new ATOM 457 N LEU A 31 3.290 -11.569 3.205 1.00 0.00 N ATOM 458 CA LEU A 31 1.966 -10.980 3.369 1.00 0.00 C ATOM 459 C LEU A 31 0.956 -11.643 2.438 1.00 0.00 C ATOM 460 O LEU A 31 -0.085 -12.128 2.879 1.00 0.00 O ATOM 461 CB LEU A 31 2.017 -9.476 3.097 1.00 0.00 C ATOM 462 CG LEU A 31 2.577 -8.608 4.225 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.678 -7.157 3.783 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.711 -8.729 5.470 1.00 0.00 C ATOM 0 H LEU A 31 3.994 -10.928 2.838 1.00 0.00 H new ATOM 0 HA LEU A 31 1.647 -11.146 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.619 -9.309 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.007 -9.134 2.869 1.00 0.00 H new ATOM 0 HG LEU A 31 3.579 -8.963 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.078 -6.555 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.340 -7.085 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.688 -6.789 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.124 -8.105 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.697 -8.401 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.691 -9.768 5.800 1.00 0.00 H new ATOM 476 N ALA A 32 1.272 -11.660 1.147 1.00 0.00 N ATOM 477 CA ALA A 32 0.394 -12.266 0.154 1.00 0.00 C ATOM 478 C ALA A 32 -0.261 -13.530 0.699 1.00 0.00 C ATOM 479 O ALA A 32 -1.484 -13.674 0.662 1.00 0.00 O ATOM 480 CB ALA A 32 1.171 -12.578 -1.117 1.00 0.00 C ATOM 0 H ALA A 32 2.129 -11.261 0.765 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.395 -11.552 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.503 -13.030 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.587 -11.657 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.981 -13.271 -0.888 1.00 0.00 H new ATOM 486 N LYS A 33 0.559 -14.446 1.204 1.00 0.00 N ATOM 487 CA LYS A 33 0.059 -15.699 1.758 1.00 0.00 C ATOM 488 C LYS A 33 -0.917 -15.437 2.901 1.00 0.00 C ATOM 489 O LYS A 33 -1.893 -16.167 3.077 1.00 0.00 O ATOM 490 CB LYS A 33 1.223 -16.560 2.255 1.00 0.00 C ATOM 491 CG LYS A 33 0.937 -18.051 2.210 1.00 0.00 C ATOM 492 CD LYS A 33 1.983 -18.842 2.978 1.00 0.00 C ATOM 493 CE LYS A 33 1.908 -20.327 2.655 1.00 0.00 C ATOM 494 NZ LYS A 33 2.537 -21.158 3.717 1.00 0.00 N ATOM 0 H LYS A 33 1.573 -14.344 1.241 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.469 -16.233 0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.105 -16.349 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.464 -16.275 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.050 -18.246 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.914 -18.387 1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.977 -18.465 2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.839 -18.694 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.865 -20.620 2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.404 -20.517 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.465 -22.163 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.539 -20.896 3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.047 -20.996 4.620 1.00 0.00 H new ATOM 508 N LYS A 34 -0.649 -14.391 3.675 1.00 0.00 N ATOM 509 CA LYS A 34 -1.505 -14.031 4.799 1.00 0.00 C ATOM 510 C LYS A 34 -2.834 -13.463 4.311 1.00 0.00 C ATOM 511 O LYS A 34 -3.879 -13.688 4.922 1.00 0.00 O ATOM 512 CB LYS A 34 -0.801 -13.010 5.696 1.00 0.00 C ATOM 513 CG LYS A 34 -1.605 -12.625 6.925 1.00 0.00 C ATOM 514 CD LYS A 34 -1.072 -11.353 7.564 1.00 0.00 C ATOM 515 CE LYS A 34 -1.578 -11.191 8.989 1.00 0.00 C ATOM 516 NZ LYS A 34 -2.941 -10.592 9.029 1.00 0.00 N ATOM 0 H LYS A 34 0.155 -13.777 3.544 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.706 -14.935 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.159 -13.418 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.590 -12.113 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.650 -12.484 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.575 -13.438 7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.018 -11.374 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.375 -10.491 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.594 -12.163 9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.888 -10.561 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.168 -10.311 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.971 -9.756 8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.637 -11.291 8.699 1.00 0.00 H new ATOM 530 N TYR A 35 -2.788 -12.728 3.205 1.00 0.00 N ATOM 531 CA TYR A 35 -3.988 -12.127 2.636 1.00 0.00 C ATOM 532 C TYR A 35 -4.323 -12.754 1.286 1.00 0.00 C ATOM 533 O TYR A 35 -4.488 -12.053 0.287 1.00 0.00 O ATOM 534 CB TYR A 35 -3.803 -10.617 2.478 1.00 0.00 C ATOM 535 CG TYR A 35 -3.595 -9.892 3.788 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.628 -9.773 4.710 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.366 -9.325 4.104 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.443 -9.111 5.908 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.172 -8.662 5.300 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.213 -8.557 6.199 1.00 0.00 C ATOM 541 OH TYR A 35 -3.024 -7.897 7.391 1.00 0.00 O ATOM 0 H TYR A 35 -1.932 -12.534 2.685 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.816 -12.314 3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.947 -10.430 1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.678 -10.203 1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.592 -10.206 4.486 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.549 -9.404 3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.257 -9.027 6.613 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.210 -8.228 5.530 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.102 -7.568 7.440 1.00 0.00 H new ATOM 551 N HIS A 36 -4.423 -14.079 1.265 1.00 0.00 N ATOM 552 CA HIS A 36 -4.739 -14.803 0.038 1.00 0.00 C ATOM 553 C HIS A 36 -6.249 -14.933 -0.141 1.00 0.00 C ATOM 554 O HIS A 36 -6.995 -15.158 0.812 1.00 0.00 O ATOM 555 CB HIS A 36 -4.095 -16.189 0.058 1.00 0.00 C ATOM 556 CG HIS A 36 -3.736 -16.702 -1.303 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.453 -17.687 -1.949 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.730 -16.360 -2.141 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.902 -17.929 -3.125 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.855 -17.137 -3.266 1.00 0.00 N ATOM 0 H HIS A 36 -4.290 -14.674 2.083 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.338 -14.237 -0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.196 -16.154 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.779 -16.892 0.533 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.970 -15.614 -1.959 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.249 -18.652 -3.848 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.239 -17.107 -4.079 1.00 0.00 H new ATOM 704 N ALA A 46 -10.246 -8.208 1.903 1.00 0.00 N ATOM 705 CA ALA A 46 -9.072 -8.919 1.411 1.00 0.00 C ATOM 706 C ALA A 46 -8.845 -8.643 -0.071 1.00 0.00 C ATOM 707 O ALA A 46 -7.770 -8.197 -0.473 1.00 0.00 O ATOM 708 CB ALA A 46 -9.220 -10.414 1.654 1.00 0.00 C ATOM 0 HA ALA A 46 -8.202 -8.557 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.336 -10.932 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.327 -10.600 2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.103 -10.782 1.132 1.00 0.00 H new ATOM 714 N LYS A 47 -9.863 -8.912 -0.882 1.00 0.00 N ATOM 715 CA LYS A 47 -9.775 -8.692 -2.321 1.00 0.00 C ATOM 716 C LYS A 47 -8.984 -7.424 -2.630 1.00 0.00 C ATOM 717 O LYS A 47 -7.980 -7.467 -3.340 1.00 0.00 O ATOM 718 CB LYS A 47 -11.176 -8.593 -2.929 1.00 0.00 C ATOM 719 CG LYS A 47 -11.747 -9.932 -3.362 1.00 0.00 C ATOM 720 CD LYS A 47 -12.495 -10.612 -2.228 1.00 0.00 C ATOM 721 CE LYS A 47 -13.893 -10.037 -2.058 1.00 0.00 C ATOM 722 NZ LYS A 47 -14.780 -10.389 -3.201 1.00 0.00 N ATOM 0 H LYS A 47 -10.759 -9.283 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.253 -9.541 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.848 -8.139 -2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.143 -7.926 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.420 -9.785 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.940 -10.579 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.562 -11.682 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.936 -10.493 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.329 -10.410 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.831 -8.953 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.774 -10.271 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.573 -9.765 -4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.614 -11.378 -3.478 1.00 0.00 H new ATOM 736 N GLU A 48 -9.444 -6.299 -2.091 1.00 0.00 N ATOM 737 CA GLU A 48 -8.778 -5.021 -2.310 1.00 0.00 C ATOM 738 C GLU A 48 -7.387 -5.017 -1.683 1.00 0.00 C ATOM 739 O GLU A 48 -6.438 -4.475 -2.250 1.00 0.00 O ATOM 740 CB GLU A 48 -9.614 -3.879 -1.729 1.00 0.00 C ATOM 741 CG GLU A 48 -9.437 -2.560 -2.463 1.00 0.00 C ATOM 742 CD GLU A 48 -9.646 -1.358 -1.562 1.00 0.00 C ATOM 743 OE1 GLU A 48 -8.935 -1.253 -0.540 1.00 0.00 O ATOM 744 OE2 GLU A 48 -10.520 -0.524 -1.878 1.00 0.00 O ATOM 0 H GLU A 48 -10.274 -6.247 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.673 -4.875 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.667 -4.161 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.347 -3.741 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.436 -2.518 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.141 -2.513 -3.294 1.00 0.00 H new ATOM 751 N LYS A 49 -7.273 -5.626 -0.507 1.00 0.00 N ATOM 752 CA LYS A 49 -5.999 -5.695 0.199 1.00 0.00 C ATOM 753 C LYS A 49 -4.924 -6.329 -0.678 1.00 0.00 C ATOM 754 O LYS A 49 -3.881 -5.727 -0.932 1.00 0.00 O ATOM 755 CB LYS A 49 -6.153 -6.496 1.494 1.00 0.00 C ATOM 756 CG LYS A 49 -6.878 -5.739 2.594 1.00 0.00 C ATOM 757 CD LYS A 49 -5.908 -4.955 3.463 1.00 0.00 C ATOM 758 CE LYS A 49 -6.583 -4.437 4.724 1.00 0.00 C ATOM 759 NZ LYS A 49 -7.188 -3.092 4.517 1.00 0.00 N ATOM 0 H LYS A 49 -8.048 -6.079 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.692 -4.678 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.695 -7.417 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.165 -6.784 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.604 -5.057 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.437 -6.441 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.066 -5.591 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.504 -4.117 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.356 -5.139 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.853 -4.386 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.638 -2.774 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.446 -2.416 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.903 -3.145 3.763 1.00 0.00 H new ATOM 773 N PHE A 50 -5.187 -7.547 -1.140 1.00 0.00 N ATOM 774 CA PHE A 50 -4.242 -8.263 -1.990 1.00 0.00 C ATOM 775 C PHE A 50 -3.803 -7.395 -3.166 1.00 0.00 C ATOM 776 O PHE A 50 -2.612 -7.280 -3.456 1.00 0.00 O ATOM 777 CB PHE A 50 -4.868 -9.561 -2.505 1.00 0.00 C ATOM 778 CG PHE A 50 -3.877 -10.494 -3.139 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.061 -11.295 -2.356 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.761 -10.571 -4.518 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.148 -12.154 -2.937 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.849 -11.428 -5.104 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.042 -12.222 -4.313 1.00 0.00 C ATOM 0 H PHE A 50 -6.046 -8.059 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.364 -8.504 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.358 -10.072 -1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.643 -9.318 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.140 -11.247 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.391 -9.954 -5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.517 -12.772 -2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.767 -11.477 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.330 -12.894 -4.769 1.00 0.00 H new ATOM 793 N SER A 51 -4.774 -6.787 -3.840 1.00 0.00 N ATOM 794 CA SER A 51 -4.489 -5.933 -4.987 1.00 0.00 C ATOM 795 C SER A 51 -3.398 -4.920 -4.653 1.00 0.00 C ATOM 796 O SER A 51 -2.523 -4.642 -5.472 1.00 0.00 O ATOM 797 CB SER A 51 -5.758 -5.204 -5.435 1.00 0.00 C ATOM 798 OG SER A 51 -6.576 -6.046 -6.228 1.00 0.00 O ATOM 0 H SER A 51 -5.765 -6.870 -3.612 1.00 0.00 H new ATOM 0 HA SER A 51 -4.136 -6.566 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.316 -4.868 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.488 -4.314 -6.003 1.00 0.00 H new ATOM 0 HG SER A 51 -7.381 -5.558 -6.500 1.00 0.00 H new ATOM 804 N GLN A 52 -3.458 -4.373 -3.443 1.00 0.00 N ATOM 805 CA GLN A 52 -2.476 -3.390 -3.000 1.00 0.00 C ATOM 806 C GLN A 52 -1.090 -4.017 -2.890 1.00 0.00 C ATOM 807 O GLN A 52 -0.092 -3.415 -3.287 1.00 0.00 O ATOM 808 CB GLN A 52 -2.889 -2.797 -1.652 1.00 0.00 C ATOM 809 CG GLN A 52 -4.249 -2.117 -1.678 1.00 0.00 C ATOM 810 CD GLN A 52 -4.370 -1.015 -0.643 1.00 0.00 C ATOM 811 OE1 GLN A 52 -4.939 -1.216 0.430 1.00 0.00 O ATOM 812 NE2 GLN A 52 -3.833 0.157 -0.960 1.00 0.00 N ATOM 0 H GLN A 52 -4.176 -4.594 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.436 -2.593 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.903 -3.590 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.137 -2.074 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.424 -1.700 -2.670 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.026 -2.861 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.371 0.279 -1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.883 0.935 -0.303 1.00 0.00 H new ATOM 821 N LEU A 53 -1.036 -5.229 -2.348 1.00 0.00 N ATOM 822 CA LEU A 53 0.228 -5.939 -2.185 1.00 0.00 C ATOM 823 C LEU A 53 0.959 -6.061 -3.518 1.00 0.00 C ATOM 824 O LEU A 53 2.050 -5.519 -3.691 1.00 0.00 O ATOM 825 CB LEU A 53 -0.017 -7.328 -1.595 1.00 0.00 C ATOM 826 CG LEU A 53 -0.490 -7.366 -0.141 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.914 -8.774 0.245 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.604 -6.862 0.789 1.00 0.00 C ATOM 0 H LEU A 53 -1.853 -5.740 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 53 0.853 -5.366 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.759 -7.837 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.907 -7.901 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.354 -6.709 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.247 -8.782 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.730 -9.098 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.069 -9.453 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.250 -6.896 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.487 -7.493 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.860 -5.835 0.527 1.00 0.00 H new ATOM 840 N ALA A 54 0.350 -6.776 -4.458 1.00 0.00 N ATOM 841 CA ALA A 54 0.941 -6.967 -5.777 1.00 0.00 C ATOM 842 C ALA A 54 1.386 -5.637 -6.376 1.00 0.00 C ATOM 843 O ALA A 54 2.480 -5.531 -6.929 1.00 0.00 O ATOM 844 CB ALA A 54 -0.047 -7.660 -6.703 1.00 0.00 C ATOM 0 H ALA A 54 -0.553 -7.233 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 54 1.822 -7.599 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.408 -7.796 -7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.314 -8.632 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.944 -7.049 -6.801 1.00 0.00 H new ATOM 850 N GLU A 55 0.531 -4.625 -6.262 1.00 0.00 N ATOM 851 CA GLU A 55 0.838 -3.303 -6.794 1.00 0.00 C ATOM 852 C GLU A 55 2.062 -2.709 -6.103 1.00 0.00 C ATOM 853 O GLU A 55 2.831 -1.965 -6.711 1.00 0.00 O ATOM 854 CB GLU A 55 -0.362 -2.369 -6.623 1.00 0.00 C ATOM 855 CG GLU A 55 -0.063 -0.923 -6.979 1.00 0.00 C ATOM 856 CD GLU A 55 0.088 -0.709 -8.473 1.00 0.00 C ATOM 857 OE1 GLU A 55 -0.764 -1.215 -9.233 1.00 0.00 O ATOM 858 OE2 GLU A 55 1.057 -0.037 -8.882 1.00 0.00 O ATOM 0 H GLU A 55 -0.379 -4.696 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 55 1.058 -3.409 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.181 -2.726 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.704 -2.417 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.865 -0.287 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.853 -0.611 -6.477 1.00 0.00 H new ATOM 865 N ALA A 56 2.234 -3.042 -4.828 1.00 0.00 N ATOM 866 CA ALA A 56 3.364 -2.543 -4.054 1.00 0.00 C ATOM 867 C ALA A 56 4.653 -3.260 -4.440 1.00 0.00 C ATOM 868 O ALA A 56 5.660 -2.623 -4.752 1.00 0.00 O ATOM 869 CB ALA A 56 3.095 -2.702 -2.565 1.00 0.00 C ATOM 0 H ALA A 56 1.605 -3.655 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 56 3.487 -1.484 -4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.947 -2.325 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.202 -2.139 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.943 -3.756 -2.333 1.00 0.00 H new ATOM 875 N TYR A 57 4.616 -4.587 -4.417 1.00 0.00 N ATOM 876 CA TYR A 57 5.783 -5.391 -4.762 1.00 0.00 C ATOM 877 C TYR A 57 6.199 -5.153 -6.210 1.00 0.00 C ATOM 878 O TYR A 57 7.382 -4.986 -6.507 1.00 0.00 O ATOM 879 CB TYR A 57 5.489 -6.876 -4.541 1.00 0.00 C ATOM 880 CG TYR A 57 6.549 -7.793 -5.108 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.803 -7.886 -4.520 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.294 -8.568 -6.233 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.774 -8.723 -5.036 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.258 -9.408 -6.755 1.00 0.00 C ATOM 885 CZ TYR A 57 8.497 -9.482 -6.153 1.00 0.00 C ATOM 886 OH TYR A 57 9.460 -10.318 -6.669 1.00 0.00 O ATOM 0 H TYR A 57 3.790 -5.130 -4.163 1.00 0.00 H new ATOM 0 HA TYR A 57 6.605 -5.090 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.392 -7.064 -3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.529 -7.119 -4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.024 -7.294 -3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.325 -8.512 -6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.745 -8.782 -4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.043 -10.004 -7.630 1.00 0.00 H new ATOM 0 HH TYR A 57 9.103 -10.782 -7.455 1.00 0.00 H new ATOM 896 N GLU A 58 5.218 -5.140 -7.106 1.00 0.00 N ATOM 897 CA GLU A 58 5.482 -4.923 -8.524 1.00 0.00 C ATOM 898 C GLU A 58 6.287 -3.644 -8.738 1.00 0.00 C ATOM 899 O GLU A 58 7.296 -3.644 -9.443 1.00 0.00 O ATOM 900 CB GLU A 58 4.168 -4.848 -9.304 1.00 0.00 C ATOM 901 CG GLU A 58 4.352 -4.899 -10.812 1.00 0.00 C ATOM 902 CD GLU A 58 4.944 -6.213 -11.283 1.00 0.00 C ATOM 903 OE1 GLU A 58 6.181 -6.368 -11.207 1.00 0.00 O ATOM 904 OE2 GLU A 58 4.170 -7.086 -11.728 1.00 0.00 O ATOM 0 H GLU A 58 4.234 -5.277 -6.876 1.00 0.00 H new ATOM 0 HA GLU A 58 6.067 -5.766 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.525 -5.673 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.651 -3.925 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.388 -4.744 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.001 -4.080 -11.123 1.00 0.00 H new ATOM 911 N VAL A 59 5.832 -2.556 -8.125 1.00 0.00 N ATOM 912 CA VAL A 59 6.509 -1.270 -8.247 1.00 0.00 C ATOM 913 C VAL A 59 7.913 -1.330 -7.657 1.00 0.00 C ATOM 914 O VAL A 59 8.905 -1.148 -8.365 1.00 0.00 O ATOM 915 CB VAL A 59 5.717 -0.150 -7.547 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.575 1.097 -7.397 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.441 0.160 -8.315 1.00 0.00 C ATOM 0 H VAL A 59 4.997 -2.539 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 59 6.575 -1.047 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 59 5.440 -0.493 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.999 1.878 -6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.457 0.862 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.885 1.446 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.894 0.954 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.694 0.483 -9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.820 -0.734 -8.365 1.00 0.00 H new ATOM 927 N LEU A 60 7.991 -1.588 -6.356 1.00 0.00 N ATOM 928 CA LEU A 60 9.275 -1.673 -5.669 1.00 0.00 C ATOM 929 C LEU A 60 10.218 -2.630 -6.392 1.00 0.00 C ATOM 930 O LEU A 60 11.290 -2.234 -6.850 1.00 0.00 O ATOM 931 CB LEU A 60 9.073 -2.133 -4.224 1.00 0.00 C ATOM 932 CG LEU A 60 8.058 -1.337 -3.402 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.593 -2.146 -2.201 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.656 -0.011 -2.955 1.00 0.00 C ATOM 0 H LEU A 60 7.181 -1.742 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 60 9.725 -0.680 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.761 -3.177 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.035 -2.093 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 60 7.193 -1.128 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.871 -1.564 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.125 -3.069 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.449 -2.385 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.920 0.542 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.538 -0.198 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.939 0.574 -3.830 1.00 0.00 H new ATOM 946 N SER A 61 9.809 -3.891 -6.493 1.00 0.00 N ATOM 947 CA SER A 61 10.618 -4.905 -7.159 1.00 0.00 C ATOM 948 C SER A 61 11.351 -4.314 -8.359 1.00 0.00 C ATOM 949 O SER A 61 12.551 -4.525 -8.534 1.00 0.00 O ATOM 950 CB SER A 61 9.739 -6.074 -7.609 1.00 0.00 C ATOM 951 OG SER A 61 8.859 -5.680 -8.648 1.00 0.00 O ATOM 0 H SER A 61 8.923 -4.234 -6.122 1.00 0.00 H new ATOM 0 HA SER A 61 11.358 -5.269 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.368 -6.895 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.163 -6.447 -6.762 1.00 0.00 H new ATOM 0 HG SER A 61 8.443 -4.823 -8.417 1.00 0.00 H new ATOM 957 N ASP A 62 10.619 -3.572 -9.184 1.00 0.00 N ATOM 958 CA ASP A 62 11.198 -2.948 -10.368 1.00 0.00 C ATOM 959 C ASP A 62 11.992 -1.700 -9.992 1.00 0.00 C ATOM 960 O ASP A 62 11.444 -0.749 -9.437 1.00 0.00 O ATOM 961 CB ASP A 62 10.100 -2.586 -11.368 1.00 0.00 C ATOM 962 CG ASP A 62 10.590 -2.616 -12.803 1.00 0.00 C ATOM 963 OD1 ASP A 62 10.504 -3.688 -13.437 1.00 0.00 O ATOM 964 OD2 ASP A 62 11.060 -1.567 -13.290 1.00 0.00 O ATOM 0 H ASP A 62 9.624 -3.388 -9.054 1.00 0.00 H new ATOM 0 HA ASP A 62 11.878 -3.664 -10.830 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.268 -3.281 -11.257 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.717 -1.591 -11.139 1.00 0.00 H new ATOM 969 N GLU A 63 13.286 -1.714 -10.296 1.00 0.00 N ATOM 970 CA GLU A 63 14.155 -0.585 -9.988 1.00 0.00 C ATOM 971 C GLU A 63 13.641 0.693 -10.645 1.00 0.00 C ATOM 972 O GLU A 63 13.727 1.778 -10.071 1.00 0.00 O ATOM 973 CB GLU A 63 15.585 -0.871 -10.453 1.00 0.00 C ATOM 974 CG GLU A 63 15.699 -1.125 -11.946 1.00 0.00 C ATOM 975 CD GLU A 63 17.063 -1.655 -12.345 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.311 -2.863 -12.148 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.882 -0.862 -12.853 1.00 0.00 O ATOM 0 H GLU A 63 13.755 -2.495 -10.755 1.00 0.00 H new ATOM 0 HA GLU A 63 14.154 -0.443 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.221 -0.026 -10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.966 -1.739 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.933 -1.839 -12.249 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.502 -0.198 -12.485 1.00 0.00 H new ATOM 984 N VAL A 64 13.105 0.555 -11.854 1.00 0.00 N ATOM 985 CA VAL A 64 12.576 1.697 -12.591 1.00 0.00 C ATOM 986 C VAL A 64 11.357 2.286 -11.890 1.00 0.00 C ATOM 987 O VAL A 64 11.343 3.462 -11.528 1.00 0.00 O ATOM 988 CB VAL A 64 12.188 1.306 -14.029 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.579 2.493 -14.759 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.399 0.772 -14.780 1.00 0.00 C ATOM 0 H VAL A 64 13.026 -0.336 -12.344 1.00 0.00 H new ATOM 0 HA VAL A 64 13.368 2.445 -12.627 1.00 0.00 H new ATOM 0 HB VAL A 64 11.439 0.515 -13.983 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.311 2.198 -15.773 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.686 2.826 -14.230 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.303 3.307 -14.797 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.107 0.500 -15.794 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.171 1.540 -14.818 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.787 -0.108 -14.266 1.00 0.00 H new ATOM 1000 N LYS A 65 10.334 1.459 -11.700 1.00 0.00 N ATOM 1001 CA LYS A 65 9.109 1.896 -11.040 1.00 0.00 C ATOM 1002 C LYS A 65 9.399 2.392 -9.627 1.00 0.00 C ATOM 1003 O LYS A 65 8.782 3.347 -9.156 1.00 0.00 O ATOM 1004 CB LYS A 65 8.095 0.751 -10.992 1.00 0.00 C ATOM 1005 CG LYS A 65 7.781 0.158 -12.355 1.00 0.00 C ATOM 1006 CD LYS A 65 7.019 -1.151 -12.232 1.00 0.00 C ATOM 1007 CE LYS A 65 6.201 -1.438 -13.481 1.00 0.00 C ATOM 1008 NZ LYS A 65 5.990 -2.899 -13.682 1.00 0.00 N ATOM 0 H LYS A 65 10.329 0.482 -11.994 1.00 0.00 H new ATOM 0 HA LYS A 65 8.690 2.721 -11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.479 -0.036 -10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.171 1.114 -10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.193 0.869 -12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.709 -0.010 -12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.721 -1.967 -12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.359 -1.109 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.235 -0.939 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.708 -1.021 -14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.011 -3.116 -14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.744 -3.428 -13.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.068 -3.174 -13.288 1.00 0.00 H new ATOM 1022 N ARG A 66 10.343 1.738 -8.958 1.00 0.00 N ATOM 1023 CA ARG A 66 10.714 2.113 -7.599 1.00 0.00 C ATOM 1024 C ARG A 66 11.347 3.502 -7.572 1.00 0.00 C ATOM 1025 O ARG A 66 10.913 4.380 -6.826 1.00 0.00 O ATOM 1026 CB ARG A 66 11.685 1.088 -7.011 1.00 0.00 C ATOM 1027 CG ARG A 66 11.860 1.208 -5.506 1.00 0.00 C ATOM 1028 CD ARG A 66 12.457 -0.059 -4.912 1.00 0.00 C ATOM 1029 NE ARG A 66 12.777 0.100 -3.495 1.00 0.00 N ATOM 1030 CZ ARG A 66 13.877 0.700 -3.053 1.00 0.00 C ATOM 1031 NH1 ARG A 66 14.756 1.196 -3.912 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.098 0.805 -1.749 1.00 0.00 N ATOM 0 H ARG A 66 10.864 0.946 -9.335 1.00 0.00 H new ATOM 0 HA ARG A 66 9.807 2.133 -6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.329 0.085 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.657 1.203 -7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.506 2.056 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.895 1.409 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.754 -0.883 -5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.361 -0.326 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 66 12.120 -0.270 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.589 1.118 -4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.600 1.656 -3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.423 0.425 -1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.943 1.266 -1.410 1.00 0.00 H new ATOM 1046 N LYS A 67 12.377 3.693 -8.390 1.00 0.00 N ATOM 1047 CA LYS A 67 13.070 4.973 -8.462 1.00 0.00 C ATOM 1048 C LYS A 67 12.087 6.111 -8.718 1.00 0.00 C ATOM 1049 O LYS A 67 12.230 7.202 -8.167 1.00 0.00 O ATOM 1050 CB LYS A 67 14.129 4.942 -9.567 1.00 0.00 C ATOM 1051 CG LYS A 67 15.489 4.462 -9.092 1.00 0.00 C ATOM 1052 CD LYS A 67 16.590 4.862 -10.059 1.00 0.00 C ATOM 1053 CE LYS A 67 17.172 6.224 -9.710 1.00 0.00 C ATOM 1054 NZ LYS A 67 18.035 6.163 -8.498 1.00 0.00 N ATOM 0 H LYS A 67 12.750 2.976 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 67 13.559 5.147 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.784 4.292 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.233 5.942 -9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.699 4.879 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.475 3.378 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.381 4.112 -10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.194 4.884 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.754 6.597 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.362 6.934 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.608 7.029 -8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.438 6.082 -7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.662 5.336 -8.560 1.00 0.00 H new ATOM 1068 N GLN A 68 11.088 5.847 -9.555 1.00 0.00 N ATOM 1069 CA GLN A 68 10.081 6.850 -9.882 1.00 0.00 C ATOM 1070 C GLN A 68 9.090 7.019 -8.736 1.00 0.00 C ATOM 1071 O GLN A 68 8.606 8.122 -8.478 1.00 0.00 O ATOM 1072 CB GLN A 68 9.338 6.458 -11.161 1.00 0.00 C ATOM 1073 CG GLN A 68 10.205 6.512 -12.408 1.00 0.00 C ATOM 1074 CD GLN A 68 9.426 6.213 -13.674 1.00 0.00 C ATOM 1075 OE1 GLN A 68 8.869 7.115 -14.301 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.382 4.942 -14.056 1.00 0.00 N ATOM 0 H GLN A 68 10.955 4.948 -10.018 1.00 0.00 H new ATOM 0 HA GLN A 68 10.589 7.801 -10.042 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.942 5.449 -11.047 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.484 7.122 -11.293 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.657 7.501 -12.489 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.021 5.796 -12.310 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.858 4.227 -13.506 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.872 4.680 -14.900 1.00 0.00 H new ATOM 1085 N TYR A 69 8.791 5.921 -8.051 1.00 0.00 N ATOM 1086 CA TYR A 69 7.855 5.948 -6.933 1.00 0.00 C ATOM 1087 C TYR A 69 8.435 6.724 -5.755 1.00 0.00 C ATOM 1088 O TYR A 69 7.728 7.475 -5.083 1.00 0.00 O ATOM 1089 CB TYR A 69 7.507 4.524 -6.498 1.00 0.00 C ATOM 1090 CG TYR A 69 7.008 4.431 -5.074 1.00 0.00 C ATOM 1091 CD1 TYR A 69 5.946 5.212 -4.637 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.598 3.560 -4.166 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.487 5.131 -3.336 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.145 3.471 -2.864 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.090 4.259 -2.454 1.00 0.00 C ATOM 1096 OH TYR A 69 5.635 4.174 -1.158 1.00 0.00 O ATOM 0 H TYR A 69 9.183 5.001 -8.250 1.00 0.00 H new ATOM 0 HA TYR A 69 6.947 6.452 -7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.746 4.124 -7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.390 3.894 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.471 5.895 -5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.425 2.942 -4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.661 5.747 -3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.614 2.788 -2.171 1.00 0.00 H new ATOM 0 HH TYR A 69 6.324 3.763 -0.596 1.00 0.00 H new ATOM 1106 N ASP A 70 9.728 6.538 -5.512 1.00 0.00 N ATOM 1107 CA ASP A 70 10.406 7.222 -4.416 1.00 0.00 C ATOM 1108 C ASP A 70 10.636 8.692 -4.752 1.00 0.00 C ATOM 1109 O ASP A 70 10.367 9.574 -3.938 1.00 0.00 O ATOM 1110 CB ASP A 70 11.740 6.540 -4.110 1.00 0.00 C ATOM 1111 CG ASP A 70 12.175 6.739 -2.671 1.00 0.00 C ATOM 1112 OD1 ASP A 70 12.018 7.865 -2.153 1.00 0.00 O ATOM 1113 OD2 ASP A 70 12.670 5.768 -2.062 1.00 0.00 O ATOM 0 H ASP A 70 10.327 5.920 -6.059 1.00 0.00 H new ATOM 0 HA ASP A 70 9.768 7.166 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.655 5.473 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.507 6.934 -4.776 1.00 0.00 H new