USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 574 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 20 LYS NZ :NH3+ 180:sc= 0.00219 (180deg=0.00219) USER MOD Set 1.2: A 57 SER OG : rot -120:sc= -0.0326 USER MOD Single : A 3 SER OG : rot 23:sc= 0.092 USER MOD Single : A 4 TYR OH : rot 68:sc= 0.635 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -50:sc= 0.233 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00851 USER MOD Single : A 21 LYS NZ :NH3+ -109:sc= -0.124 (180deg=-1.25!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 0.771 (180deg=0.685) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 31 HIS : no HE2:sc= -0.794! C(o=-0.79!,f=-7.4!) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -0.141 (180deg=-0.544) USER MOD Single : A 35 ASN : amide:sc= -2.9 K(o=-2.9,f=-3.9!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.0054) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0792 (180deg=-0.355) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0.947 (180deg=0.773) USER MOD Single : A 45 LYS NZ :NH3+ -114:sc= 0.5 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.321) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0804 (180deg=-0.436) USER MOD Single : A 60 HIS : no HE2:sc= 1.03 K(o=1,f=-5.2!) USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= -0.019 (180deg=-0.175) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.270 0.901 9.449 1.00 0.00 N ATOM 31 CA SER A 3 -6.816 0.844 9.596 1.00 0.00 C ATOM 32 C SER A 3 -6.103 1.163 8.282 1.00 0.00 C ATOM 33 O SER A 3 -4.971 0.735 8.055 1.00 0.00 O ATOM 34 CB SER A 3 -6.386 -0.531 10.120 1.00 0.00 C ATOM 35 OG SER A 3 -7.037 -0.833 11.347 1.00 0.00 O ATOM 0 HA SER A 3 -6.526 1.605 10.321 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.622 -1.296 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.306 -0.548 10.263 1.00 0.00 H new ATOM 0 HG SER A 3 -7.859 -0.304 11.420 1.00 0.00 H new ATOM 41 N TYR A 4 -6.758 1.935 7.423 1.00 0.00 N ATOM 42 CA TYR A 4 -6.171 2.316 6.146 1.00 0.00 C ATOM 43 C TYR A 4 -4.996 3.261 6.361 1.00 0.00 C ATOM 44 O TYR A 4 -4.009 3.227 5.625 1.00 0.00 O ATOM 45 CB TYR A 4 -7.215 2.967 5.237 1.00 0.00 C ATOM 46 CG TYR A 4 -8.264 2.012 4.718 1.00 0.00 C ATOM 47 CD1 TYR A 4 -7.926 0.991 3.838 1.00 0.00 C ATOM 48 CD2 TYR A 4 -9.592 2.137 5.098 1.00 0.00 C ATOM 49 CE1 TYR A 4 -8.883 0.122 3.352 1.00 0.00 C ATOM 50 CE2 TYR A 4 -10.556 1.270 4.619 1.00 0.00 C ATOM 51 CZ TYR A 4 -10.197 0.265 3.746 1.00 0.00 C ATOM 52 OH TYR A 4 -11.157 -0.597 3.264 1.00 0.00 O ATOM 0 H TYR A 4 -7.693 2.308 7.588 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.809 1.412 5.657 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.709 3.769 5.786 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.707 3.427 4.389 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.898 0.875 3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.878 2.925 5.779 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.604 -0.665 2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.585 1.379 4.927 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.999 -1.496 3.622 1.00 0.00 H new ATOM 62 N TYR A 5 -5.103 4.091 7.391 1.00 0.00 N ATOM 63 CA TYR A 5 -4.018 4.983 7.771 1.00 0.00 C ATOM 64 C TYR A 5 -2.802 4.159 8.186 1.00 0.00 C ATOM 65 O TYR A 5 -1.655 4.546 7.954 1.00 0.00 O ATOM 66 CB TYR A 5 -4.471 5.879 8.929 1.00 0.00 C ATOM 67 CG TYR A 5 -3.569 7.067 9.197 1.00 0.00 C ATOM 68 CD1 TYR A 5 -3.741 8.252 8.498 1.00 0.00 C ATOM 69 CD2 TYR A 5 -2.562 7.011 10.154 1.00 0.00 C ATOM 70 CE1 TYR A 5 -2.940 9.348 8.739 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.753 8.106 10.399 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.947 9.272 9.688 1.00 0.00 C ATOM 73 OH TYR A 5 -1.149 10.369 9.928 1.00 0.00 O ATOM 0 H TYR A 5 -5.933 4.164 7.979 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.747 5.612 6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.476 6.243 8.718 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.534 5.276 9.835 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.517 8.318 7.750 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.409 6.100 10.714 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.092 10.263 8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.973 8.048 11.144 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.497 10.153 10.627 1.00 0.00 H new ATOM 83 N GLU A 6 -3.075 3.021 8.815 1.00 0.00 N ATOM 84 CA GLU A 6 -2.031 2.115 9.261 1.00 0.00 C ATOM 85 C GLU A 6 -1.411 1.344 8.108 1.00 0.00 C ATOM 86 O GLU A 6 -0.190 1.203 8.039 1.00 0.00 O ATOM 87 CB GLU A 6 -2.587 1.144 10.292 1.00 0.00 C ATOM 88 CG GLU A 6 -2.822 1.799 11.631 1.00 0.00 C ATOM 89 CD GLU A 6 -1.539 2.349 12.212 1.00 0.00 C ATOM 90 OE1 GLU A 6 -0.617 1.553 12.487 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.430 3.583 12.366 1.00 0.00 O ATOM 0 H GLU A 6 -4.021 2.705 9.028 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.246 2.721 9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.525 0.726 9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.894 0.312 10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.547 2.605 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.254 1.074 12.321 1.00 0.00 H new ATOM 98 N ILE A 7 -2.252 0.844 7.207 1.00 0.00 N ATOM 99 CA ILE A 7 -1.779 -0.020 6.131 1.00 0.00 C ATOM 100 C ILE A 7 -0.938 0.748 5.112 1.00 0.00 C ATOM 101 O ILE A 7 0.081 0.246 4.644 1.00 0.00 O ATOM 102 CB ILE A 7 -2.945 -0.775 5.427 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.991 0.182 4.844 1.00 0.00 C ATOM 104 CG2 ILE A 7 -3.618 -1.725 6.403 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.785 0.520 3.384 1.00 0.00 C ATOM 0 H ILE A 7 -3.257 1.021 7.200 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.138 -0.768 6.598 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.509 -1.335 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.979 -0.262 4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.983 1.106 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.432 -2.247 5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.890 -2.451 6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.016 -1.159 7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.569 1.202 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.813 0.995 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.824 -0.393 2.790 1.00 0.00 H new ATOM 117 N LEU A 8 -1.354 1.959 4.768 1.00 0.00 N ATOM 118 CA LEU A 8 -0.577 2.769 3.850 1.00 0.00 C ATOM 119 C LEU A 8 0.205 3.847 4.598 1.00 0.00 C ATOM 120 O LEU A 8 1.202 3.556 5.261 1.00 0.00 O ATOM 121 CB LEU A 8 -1.465 3.393 2.766 1.00 0.00 C ATOM 122 CG LEU A 8 -0.708 4.086 1.629 1.00 0.00 C ATOM 123 CD1 LEU A 8 0.162 3.088 0.879 1.00 0.00 C ATOM 124 CD2 LEU A 8 -1.679 4.765 0.678 1.00 0.00 C ATOM 0 H LEU A 8 -2.212 2.394 5.106 1.00 0.00 H new ATOM 0 HA LEU A 8 0.138 2.112 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.095 2.612 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.130 4.119 3.235 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.061 4.848 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.692 3.599 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.884 2.646 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.466 2.303 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.123 5.252 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.352 4.021 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.260 5.510 1.222 1.00 0.00 H new ATOM 136 N ASP A 9 -0.287 5.083 4.515 1.00 0.00 N ATOM 137 CA ASP A 9 0.367 6.248 5.121 1.00 0.00 C ATOM 138 C ASP A 9 -0.644 7.371 5.323 1.00 0.00 C ATOM 139 O ASP A 9 -0.460 8.253 6.162 1.00 0.00 O ATOM 140 CB ASP A 9 1.511 6.774 4.240 1.00 0.00 C ATOM 141 CG ASP A 9 2.732 5.876 4.222 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.623 6.058 5.077 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.820 5.000 3.339 1.00 0.00 O ATOM 0 H ASP A 9 -1.153 5.308 4.025 1.00 0.00 H new ATOM 0 HA ASP A 9 0.776 5.928 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.146 6.895 3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.804 7.763 4.593 1.00 0.00 H new ATOM 148 N VAL A 10 -1.720 7.325 4.550 1.00 0.00 N ATOM 149 CA VAL A 10 -2.737 8.370 4.579 1.00 0.00 C ATOM 150 C VAL A 10 -4.086 7.797 5.010 1.00 0.00 C ATOM 151 O VAL A 10 -4.304 6.591 4.910 1.00 0.00 O ATOM 152 CB VAL A 10 -2.879 9.044 3.196 1.00 0.00 C ATOM 153 CG1 VAL A 10 -1.596 9.763 2.817 1.00 0.00 C ATOM 154 CG2 VAL A 10 -3.250 8.021 2.132 1.00 0.00 C ATOM 0 H VAL A 10 -1.913 6.571 3.891 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.419 9.120 5.303 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.681 9.779 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.716 10.231 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.374 10.528 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.775 9.047 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.345 8.518 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.473 7.259 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.199 7.552 2.393 1.00 0.00 H new ATOM 164 N PRO A 11 -4.999 8.655 5.510 1.00 0.00 N ATOM 165 CA PRO A 11 -6.267 8.216 6.116 1.00 0.00 C ATOM 166 C PRO A 11 -7.162 7.409 5.176 1.00 0.00 C ATOM 167 O PRO A 11 -7.172 6.180 5.230 1.00 0.00 O ATOM 168 CB PRO A 11 -6.957 9.526 6.522 1.00 0.00 C ATOM 169 CG PRO A 11 -6.273 10.590 5.734 1.00 0.00 C ATOM 170 CD PRO A 11 -4.861 10.121 5.541 1.00 0.00 C ATOM 0 HA PRO A 11 -6.078 7.536 6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.023 9.495 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.861 9.706 7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.767 10.743 4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.298 11.543 6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.431 10.505 4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.213 10.448 6.354 1.00 0.00 H new ATOM 178 N ARG A 12 -7.914 8.100 4.323 1.00 0.00 N ATOM 179 CA ARG A 12 -8.848 7.433 3.418 1.00 0.00 C ATOM 180 C ARG A 12 -9.435 8.407 2.398 1.00 0.00 C ATOM 181 O ARG A 12 -9.668 8.035 1.250 1.00 0.00 O ATOM 182 CB ARG A 12 -9.979 6.748 4.204 1.00 0.00 C ATOM 183 CG ARG A 12 -10.732 7.675 5.147 1.00 0.00 C ATOM 184 CD ARG A 12 -11.816 6.941 5.912 1.00 0.00 C ATOM 185 NE ARG A 12 -12.559 7.837 6.800 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.527 7.437 7.627 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.886 6.161 7.674 1.00 0.00 N ATOM 188 NH2 ARG A 12 -14.138 8.319 8.405 1.00 0.00 N ATOM 0 H ARG A 12 -7.896 9.116 4.239 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.285 6.673 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.686 6.314 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.558 5.924 4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.032 8.125 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.178 8.490 4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.505 6.474 5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.367 6.139 6.498 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.322 8.829 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.421 5.478 7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.627 5.863 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.868 9.302 8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.878 8.015 9.038 1.00 0.00 H new ATOM 202 N SER A 13 -9.676 9.647 2.815 1.00 0.00 N ATOM 203 CA SER A 13 -10.233 10.658 1.922 1.00 0.00 C ATOM 204 C SER A 13 -9.119 11.534 1.345 1.00 0.00 C ATOM 205 O SER A 13 -9.333 12.696 1.000 1.00 0.00 O ATOM 206 CB SER A 13 -11.258 11.518 2.673 1.00 0.00 C ATOM 207 OG SER A 13 -12.048 12.288 1.781 1.00 0.00 O ATOM 0 H SER A 13 -9.495 9.975 3.764 1.00 0.00 H new ATOM 0 HA SER A 13 -10.737 10.156 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.905 10.875 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.740 12.181 3.366 1.00 0.00 H new ATOM 0 HG SER A 13 -11.464 12.763 1.154 1.00 0.00 H new ATOM 213 N ALA A 14 -7.930 10.968 1.245 1.00 0.00 N ATOM 214 CA ALA A 14 -6.790 11.666 0.698 1.00 0.00 C ATOM 215 C ALA A 14 -6.821 11.627 -0.828 1.00 0.00 C ATOM 216 O ALA A 14 -7.310 10.661 -1.417 1.00 0.00 O ATOM 217 CB ALA A 14 -5.516 11.036 1.223 1.00 0.00 C ATOM 0 H ALA A 14 -7.732 10.012 1.541 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.825 12.710 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.654 11.561 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.498 11.105 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.479 9.988 0.925 1.00 0.00 H new ATOM 223 N SER A 15 -6.346 12.696 -1.454 1.00 0.00 N ATOM 224 CA SER A 15 -6.233 12.753 -2.908 1.00 0.00 C ATOM 225 C SER A 15 -5.405 11.572 -3.413 1.00 0.00 C ATOM 226 O SER A 15 -4.306 11.322 -2.929 1.00 0.00 O ATOM 227 CB SER A 15 -5.574 14.072 -3.308 1.00 0.00 C ATOM 228 OG SER A 15 -6.197 15.161 -2.647 1.00 0.00 O ATOM 0 H SER A 15 -6.031 13.540 -0.976 1.00 0.00 H new ATOM 0 HA SER A 15 -7.225 12.696 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.514 14.046 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.643 14.207 -4.387 1.00 0.00 H new ATOM 0 HG SER A 15 -5.762 15.998 -2.913 1.00 0.00 H new ATOM 234 N ALA A 16 -5.964 10.855 -4.390 1.00 0.00 N ATOM 235 CA ALA A 16 -5.418 9.583 -4.860 1.00 0.00 C ATOM 236 C ALA A 16 -3.945 9.669 -5.254 1.00 0.00 C ATOM 237 O ALA A 16 -3.204 8.706 -5.076 1.00 0.00 O ATOM 238 CB ALA A 16 -6.242 9.062 -6.026 1.00 0.00 C ATOM 0 H ALA A 16 -6.812 11.143 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.476 8.888 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.828 8.114 -6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.273 8.912 -5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.217 9.785 -6.841 1.00 0.00 H new ATOM 244 N ASP A 17 -3.527 10.813 -5.791 1.00 0.00 N ATOM 245 CA ASP A 17 -2.126 11.012 -6.176 1.00 0.00 C ATOM 246 C ASP A 17 -1.215 10.932 -4.958 1.00 0.00 C ATOM 247 O ASP A 17 -0.083 10.457 -5.046 1.00 0.00 O ATOM 248 CB ASP A 17 -1.924 12.359 -6.858 1.00 0.00 C ATOM 249 CG ASP A 17 -0.549 12.487 -7.491 1.00 0.00 C ATOM 250 OD1 ASP A 17 0.401 12.893 -6.791 1.00 0.00 O ATOM 251 OD2 ASP A 17 -0.412 12.182 -8.696 1.00 0.00 O ATOM 0 H ASP A 17 -4.132 11.614 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.870 10.218 -6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.688 12.493 -7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.061 13.157 -6.128 1.00 0.00 H new ATOM 256 N ASP A 18 -1.715 11.410 -3.827 1.00 0.00 N ATOM 257 CA ASP A 18 -0.964 11.380 -2.580 1.00 0.00 C ATOM 258 C ASP A 18 -0.816 9.942 -2.103 1.00 0.00 C ATOM 259 O ASP A 18 0.208 9.563 -1.540 1.00 0.00 O ATOM 260 CB ASP A 18 -1.657 12.220 -1.511 1.00 0.00 C ATOM 261 CG ASP A 18 -0.740 12.548 -0.350 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.363 13.084 -0.593 1.00 0.00 O ATOM 263 OD2 ASP A 18 -1.128 12.306 0.811 1.00 0.00 O ATOM 0 H ASP A 18 -2.643 11.826 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 18 0.025 11.803 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.018 13.146 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.530 11.683 -1.140 1.00 0.00 H new ATOM 268 N ILE A 19 -1.853 9.146 -2.334 1.00 0.00 N ATOM 269 CA ILE A 19 -1.775 7.706 -2.110 1.00 0.00 C ATOM 270 C ILE A 19 -0.675 7.107 -2.984 1.00 0.00 C ATOM 271 O ILE A 19 0.115 6.275 -2.532 1.00 0.00 O ATOM 272 CB ILE A 19 -3.118 6.992 -2.403 1.00 0.00 C ATOM 273 CG1 ILE A 19 -4.108 7.225 -1.269 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.915 5.501 -2.629 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.750 8.582 -1.316 1.00 0.00 C ATOM 0 H ILE A 19 -2.757 9.472 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.544 7.552 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.527 7.419 -3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.884 6.461 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.593 7.106 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.877 5.030 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.250 5.349 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.473 5.055 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.444 8.685 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.981 9.351 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.292 8.696 -2.255 1.00 0.00 H new ATOM 287 N LYS A 20 -0.619 7.558 -4.237 1.00 0.00 N ATOM 288 CA LYS A 20 0.441 7.146 -5.148 1.00 0.00 C ATOM 289 C LYS A 20 1.793 7.579 -4.588 1.00 0.00 C ATOM 290 O LYS A 20 2.783 6.865 -4.718 1.00 0.00 O ATOM 291 CB LYS A 20 0.256 7.765 -6.539 1.00 0.00 C ATOM 292 CG LYS A 20 -1.162 7.693 -7.085 1.00 0.00 C ATOM 293 CD LYS A 20 -1.625 6.270 -7.350 1.00 0.00 C ATOM 294 CE LYS A 20 -3.066 6.259 -7.834 1.00 0.00 C ATOM 295 NZ LYS A 20 -3.535 4.900 -8.211 1.00 0.00 N ATOM 0 H LYS A 20 -1.295 8.207 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 20 0.399 6.061 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.563 8.810 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.925 7.262 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.843 8.165 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.219 8.266 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.981 5.805 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.537 5.677 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.711 6.657 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.161 6.923 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.523 4.951 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.939 4.527 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.472 4.270 -7.386 1.00 0.00 H new ATOM 309 N LYS A 21 1.829 8.765 -3.978 1.00 0.00 N ATOM 310 CA LYS A 21 3.046 9.259 -3.340 1.00 0.00 C ATOM 311 C LYS A 21 3.446 8.383 -2.162 1.00 0.00 C ATOM 312 O LYS A 21 4.601 7.992 -2.051 1.00 0.00 O ATOM 313 CB LYS A 21 2.877 10.702 -2.857 1.00 0.00 C ATOM 314 CG LYS A 21 2.813 11.740 -3.965 1.00 0.00 C ATOM 315 CD LYS A 21 4.076 11.747 -4.812 1.00 0.00 C ATOM 316 CE LYS A 21 3.943 10.839 -6.020 1.00 0.00 C ATOM 317 NZ LYS A 21 2.768 11.216 -6.857 1.00 0.00 N ATOM 0 H LYS A 21 1.032 9.398 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 21 3.832 9.226 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.965 10.767 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.707 10.948 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.951 11.539 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.664 12.728 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.288 12.764 -5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.923 11.426 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.851 10.894 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.840 9.805 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.028 10.491 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.396 12.134 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.059 11.286 -7.853 1.00 0.00 H new ATOM 331 N ALA A 22 2.486 8.065 -1.300 1.00 0.00 N ATOM 332 CA ALA A 22 2.749 7.227 -0.137 1.00 0.00 C ATOM 333 C ALA A 22 3.251 5.856 -0.571 1.00 0.00 C ATOM 334 O ALA A 22 4.169 5.296 0.027 1.00 0.00 O ATOM 335 CB ALA A 22 1.500 7.104 0.731 1.00 0.00 C ATOM 0 H ALA A 22 1.518 8.376 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 22 3.528 7.699 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.717 6.475 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.195 8.093 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.695 6.656 0.149 1.00 0.00 H new ATOM 341 N TYR A 23 2.657 5.342 -1.640 1.00 0.00 N ATOM 342 CA TYR A 23 3.073 4.076 -2.217 1.00 0.00 C ATOM 343 C TYR A 23 4.468 4.174 -2.836 1.00 0.00 C ATOM 344 O TYR A 23 5.336 3.354 -2.544 1.00 0.00 O ATOM 345 CB TYR A 23 2.026 3.608 -3.242 1.00 0.00 C ATOM 346 CG TYR A 23 2.576 2.871 -4.450 1.00 0.00 C ATOM 347 CD1 TYR A 23 2.960 1.539 -4.371 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.700 3.517 -5.675 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.453 0.871 -5.476 1.00 0.00 C ATOM 350 CE2 TYR A 23 3.191 2.856 -6.785 1.00 0.00 C ATOM 351 CZ TYR A 23 3.565 1.535 -6.680 1.00 0.00 C ATOM 352 OH TYR A 23 4.052 0.870 -7.784 1.00 0.00 O ATOM 0 H TYR A 23 1.880 5.789 -2.126 1.00 0.00 H new ATOM 0 HA TYR A 23 3.138 3.332 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.313 2.958 -2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.471 4.479 -3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.872 1.016 -3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.408 4.553 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.749 -0.165 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.281 3.373 -7.729 1.00 0.00 H new ATOM 0 HH TYR A 23 4.066 1.478 -8.552 1.00 0.00 H new ATOM 362 N ARG A 24 4.687 5.184 -3.668 1.00 0.00 N ATOM 363 CA ARG A 24 5.965 5.339 -4.357 1.00 0.00 C ATOM 364 C ARG A 24 7.091 5.693 -3.396 1.00 0.00 C ATOM 365 O ARG A 24 8.210 5.219 -3.554 1.00 0.00 O ATOM 366 CB ARG A 24 5.861 6.370 -5.484 1.00 0.00 C ATOM 367 CG ARG A 24 5.431 5.743 -6.790 1.00 0.00 C ATOM 368 CD ARG A 24 5.080 6.790 -7.819 1.00 0.00 C ATOM 369 NE ARG A 24 4.726 6.177 -9.101 1.00 0.00 N ATOM 370 CZ ARG A 24 3.509 6.206 -9.645 1.00 0.00 C ATOM 371 NH1 ARG A 24 2.521 6.842 -9.037 1.00 0.00 N ATOM 372 NH2 ARG A 24 3.284 5.598 -10.805 1.00 0.00 N ATOM 0 H ARG A 24 4.000 5.907 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 24 6.210 4.374 -4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.148 7.144 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.826 6.859 -5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.232 5.111 -7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.570 5.097 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.246 7.392 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.925 7.465 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 24 5.463 5.693 -9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.688 7.313 -8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.592 6.861 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.043 5.109 -11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.353 5.621 -11.220 1.00 0.00 H new ATOM 386 N ARG A 25 6.793 6.515 -2.405 1.00 0.00 N ATOM 387 CA ARG A 25 7.766 6.843 -1.364 1.00 0.00 C ATOM 388 C ARG A 25 8.169 5.591 -0.586 1.00 0.00 C ATOM 389 O ARG A 25 9.354 5.353 -0.335 1.00 0.00 O ATOM 390 CB ARG A 25 7.180 7.887 -0.405 1.00 0.00 C ATOM 391 CG ARG A 25 7.839 7.899 0.965 1.00 0.00 C ATOM 392 CD ARG A 25 7.057 8.748 1.953 1.00 0.00 C ATOM 393 NE ARG A 25 7.278 8.308 3.328 1.00 0.00 N ATOM 394 CZ ARG A 25 6.320 7.801 4.100 1.00 0.00 C ATOM 395 NH1 ARG A 25 5.062 7.815 3.688 1.00 0.00 N ATOM 396 NH2 ARG A 25 6.615 7.292 5.290 1.00 0.00 N ATOM 0 H ARG A 25 5.887 6.970 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 25 8.655 7.255 -1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.279 8.875 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.114 7.697 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.916 6.879 1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.855 8.284 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.353 9.792 1.852 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.994 8.694 1.719 1.00 0.00 H new ATOM 0 HE ARG A 25 8.217 8.394 3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.827 8.214 2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.327 7.426 4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.581 7.288 5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.876 6.905 5.877 1.00 0.00 H new ATOM 410 N LYS A 26 7.179 4.782 -0.235 1.00 0.00 N ATOM 411 CA LYS A 26 7.417 3.562 0.507 1.00 0.00 C ATOM 412 C LYS A 26 8.204 2.572 -0.350 1.00 0.00 C ATOM 413 O LYS A 26 9.136 1.919 0.118 1.00 0.00 O ATOM 414 CB LYS A 26 6.071 2.974 0.902 1.00 0.00 C ATOM 415 CG LYS A 26 6.152 1.787 1.833 1.00 0.00 C ATOM 416 CD LYS A 26 4.782 1.166 2.022 1.00 0.00 C ATOM 417 CE LYS A 26 3.750 2.177 2.515 1.00 0.00 C ATOM 418 NZ LYS A 26 4.115 2.779 3.825 1.00 0.00 N ATOM 0 H LYS A 26 6.198 4.955 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 26 8.004 3.773 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.475 3.752 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.541 2.675 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.841 1.046 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.552 2.100 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.446 0.739 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.853 0.345 2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.641 2.969 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.781 1.687 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.407 3.494 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.144 2.036 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.050 3.228 3.752 1.00 0.00 H new ATOM 432 N ALA A 27 7.812 2.487 -1.615 1.00 0.00 N ATOM 433 CA ALA A 27 8.496 1.651 -2.593 1.00 0.00 C ATOM 434 C ALA A 27 9.936 2.111 -2.805 1.00 0.00 C ATOM 435 O ALA A 27 10.832 1.298 -2.997 1.00 0.00 O ATOM 436 CB ALA A 27 7.748 1.676 -3.920 1.00 0.00 C ATOM 0 H ALA A 27 7.012 2.995 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 27 8.515 0.632 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.268 1.048 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.736 1.299 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.704 2.699 -4.294 1.00 0.00 H new ATOM 442 N LEU A 28 10.139 3.424 -2.777 1.00 0.00 N ATOM 443 CA LEU A 28 11.454 4.011 -3.007 1.00 0.00 C ATOM 444 C LEU A 28 12.426 3.661 -1.888 1.00 0.00 C ATOM 445 O LEU A 28 13.611 3.440 -2.138 1.00 0.00 O ATOM 446 CB LEU A 28 11.349 5.533 -3.151 1.00 0.00 C ATOM 447 CG LEU A 28 11.902 6.093 -4.459 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.035 5.641 -5.623 1.00 0.00 C ATOM 449 CD2 LEU A 28 11.976 7.612 -4.403 1.00 0.00 C ATOM 0 H LEU A 28 9.403 4.106 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 28 11.840 3.591 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.301 5.820 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.878 6.000 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 28 12.912 5.711 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.435 6.044 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.030 4.552 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.017 6.002 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.373 7.992 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.978 8.019 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.630 7.915 -3.585 1.00 0.00 H new ATOM 461 N GLN A 29 11.930 3.614 -0.656 1.00 0.00 N ATOM 462 CA GLN A 29 12.779 3.295 0.492 1.00 0.00 C ATOM 463 C GLN A 29 13.326 1.869 0.388 1.00 0.00 C ATOM 464 O GLN A 29 14.462 1.597 0.779 1.00 0.00 O ATOM 465 CB GLN A 29 12.012 3.472 1.807 1.00 0.00 C ATOM 466 CG GLN A 29 12.889 3.312 3.040 1.00 0.00 C ATOM 467 CD GLN A 29 12.141 3.525 4.339 1.00 0.00 C ATOM 468 OE1 GLN A 29 11.170 4.284 4.405 1.00 0.00 O ATOM 469 NE2 GLN A 29 12.603 2.867 5.389 1.00 0.00 N ATOM 0 H GLN A 29 10.952 3.791 -0.425 1.00 0.00 H new ATOM 0 HA GLN A 29 13.619 3.989 0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.553 4.460 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.202 2.744 1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 29 13.325 2.313 3.040 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.715 4.021 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.409 2.249 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.154 2.977 6.298 1.00 0.00 H new ATOM 478 N TRP A 30 12.519 0.973 -0.161 1.00 0.00 N ATOM 479 CA TRP A 30 12.909 -0.423 -0.332 1.00 0.00 C ATOM 480 C TRP A 30 13.206 -0.720 -1.798 1.00 0.00 C ATOM 481 O TRP A 30 13.208 -1.873 -2.229 1.00 0.00 O ATOM 482 CB TRP A 30 11.816 -1.354 0.197 1.00 0.00 C ATOM 483 CG TRP A 30 11.643 -1.271 1.683 1.00 0.00 C ATOM 484 CD1 TRP A 30 10.706 -0.546 2.365 1.00 0.00 C ATOM 485 CD2 TRP A 30 12.443 -1.929 2.674 1.00 0.00 C ATOM 486 NE1 TRP A 30 10.865 -0.726 3.717 1.00 0.00 N ATOM 487 CE2 TRP A 30 11.928 -1.566 3.933 1.00 0.00 C ATOM 488 CE3 TRP A 30 13.547 -2.792 2.622 1.00 0.00 C ATOM 489 CZ2 TRP A 30 12.473 -2.037 5.126 1.00 0.00 C ATOM 490 CZ3 TRP A 30 14.086 -3.258 3.808 1.00 0.00 C ATOM 491 CH2 TRP A 30 13.550 -2.877 5.043 1.00 0.00 C ATOM 0 H TRP A 30 11.581 1.189 -0.499 1.00 0.00 H new ATOM 0 HA TRP A 30 13.818 -0.600 0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.871 -1.108 -0.287 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.057 -2.381 -0.078 1.00 0.00 H new ATOM 0 HD1 TRP A 30 9.952 0.077 1.908 1.00 0.00 H new ATOM 0 HE1 TRP A 30 10.286 -0.304 4.443 1.00 0.00 H new ATOM 0 HE3 TRP A 30 13.969 -3.088 1.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 12.060 -1.749 6.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 14.934 -3.926 3.780 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.996 -3.254 5.951 1.00 0.00 H new ATOM 502 N HIS A 31 13.456 0.339 -2.555 1.00 0.00 N ATOM 503 CA HIS A 31 13.724 0.226 -3.980 1.00 0.00 C ATOM 504 C HIS A 31 15.095 -0.398 -4.187 1.00 0.00 C ATOM 505 O HIS A 31 15.960 -0.240 -3.338 1.00 0.00 O ATOM 506 CB HIS A 31 13.686 1.620 -4.620 1.00 0.00 C ATOM 507 CG HIS A 31 12.918 1.692 -5.902 1.00 0.00 C ATOM 508 ND1 HIS A 31 13.489 2.025 -7.114 1.00 0.00 N ATOM 509 CD2 HIS A 31 11.601 1.507 -6.148 1.00 0.00 C ATOM 510 CE1 HIS A 31 12.557 2.035 -8.047 1.00 0.00 C ATOM 511 NE2 HIS A 31 11.401 1.724 -7.487 1.00 0.00 N ATOM 0 H HIS A 31 13.479 1.295 -2.200 1.00 0.00 H new ATOM 0 HA HIS A 31 12.966 -0.404 -4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.249 2.321 -3.909 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.708 1.950 -4.804 1.00 0.00 H new ATOM 0 HD1 HIS A 31 14.477 2.231 -7.264 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.846 1.238 -5.424 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.712 2.259 -9.092 1.00 0.00 H new ATOM 520 N PRO A 32 15.325 -1.099 -5.310 1.00 0.00 N ATOM 521 CA PRO A 32 16.617 -1.749 -5.586 1.00 0.00 C ATOM 522 C PRO A 32 17.781 -0.767 -5.507 1.00 0.00 C ATOM 523 O PRO A 32 18.899 -1.127 -5.142 1.00 0.00 O ATOM 524 CB PRO A 32 16.463 -2.282 -7.018 1.00 0.00 C ATOM 525 CG PRO A 32 15.255 -1.601 -7.567 1.00 0.00 C ATOM 526 CD PRO A 32 14.361 -1.344 -6.390 1.00 0.00 C ATOM 0 HA PRO A 32 16.843 -2.526 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 32 17.346 -2.059 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 32 16.340 -3.365 -7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.524 -0.669 -8.065 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.756 -2.226 -8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.709 -0.486 -6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.718 -2.197 -6.175 1.00 0.00 H new ATOM 534 N ASP A 33 17.496 0.483 -5.829 1.00 0.00 N ATOM 535 CA ASP A 33 18.495 1.541 -5.774 1.00 0.00 C ATOM 536 C ASP A 33 18.851 1.879 -4.329 1.00 0.00 C ATOM 537 O ASP A 33 19.931 2.400 -4.054 1.00 0.00 O ATOM 538 CB ASP A 33 17.973 2.804 -6.462 1.00 0.00 C ATOM 539 CG ASP A 33 17.280 2.514 -7.777 1.00 0.00 C ATOM 540 OD1 ASP A 33 17.971 2.327 -8.800 1.00 0.00 O ATOM 541 OD2 ASP A 33 16.031 2.463 -7.787 1.00 0.00 O ATOM 0 H ASP A 33 16.574 0.794 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 33 19.386 1.182 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.278 3.314 -5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.805 3.486 -6.638 1.00 0.00 H new ATOM 546 N LYS A 34 17.931 1.595 -3.412 1.00 0.00 N ATOM 547 CA LYS A 34 18.080 1.986 -2.019 1.00 0.00 C ATOM 548 C LYS A 34 18.193 0.782 -1.081 1.00 0.00 C ATOM 549 O LYS A 34 18.385 0.951 0.124 1.00 0.00 O ATOM 550 CB LYS A 34 16.880 2.833 -1.593 1.00 0.00 C ATOM 551 CG LYS A 34 17.236 3.869 -0.550 1.00 0.00 C ATOM 552 CD LYS A 34 18.146 4.913 -1.156 1.00 0.00 C ATOM 553 CE LYS A 34 17.356 6.018 -1.840 1.00 0.00 C ATOM 554 NZ LYS A 34 16.530 6.790 -0.874 1.00 0.00 N ATOM 0 H LYS A 34 17.068 1.091 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 34 19.005 2.557 -1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.464 3.333 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.101 2.180 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.330 4.340 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.728 3.391 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.775 5.344 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.812 4.441 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.043 6.693 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.710 5.583 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.368 7.748 -1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.616 6.312 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.027 6.851 0.037 1.00 0.00 H new ATOM 568 N ASN A 35 18.075 -0.427 -1.611 1.00 0.00 N ATOM 569 CA ASN A 35 18.089 -1.608 -0.759 1.00 0.00 C ATOM 570 C ASN A 35 19.439 -2.313 -0.847 1.00 0.00 C ATOM 571 O ASN A 35 20.070 -2.356 -1.904 1.00 0.00 O ATOM 572 CB ASN A 35 16.909 -2.559 -1.086 1.00 0.00 C ATOM 573 CG ASN A 35 16.939 -3.194 -2.471 1.00 0.00 C ATOM 574 OD1 ASN A 35 17.988 -3.482 -3.042 1.00 0.00 O ATOM 575 ND2 ASN A 35 15.756 -3.423 -3.018 1.00 0.00 N ATOM 0 H ASN A 35 17.970 -0.615 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 35 17.951 -1.288 0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.890 -3.355 -0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.978 -2.003 -0.981 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.696 -3.851 -3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.905 -3.171 -2.516 1.00 0.00 H new ATOM 582 N PRO A 36 19.936 -2.806 0.298 1.00 0.00 N ATOM 583 CA PRO A 36 21.225 -3.461 0.385 1.00 0.00 C ATOM 584 C PRO A 36 21.134 -4.979 0.205 1.00 0.00 C ATOM 585 O PRO A 36 20.951 -5.463 -0.911 1.00 0.00 O ATOM 586 CB PRO A 36 21.693 -3.093 1.793 1.00 0.00 C ATOM 587 CG PRO A 36 20.444 -2.834 2.583 1.00 0.00 C ATOM 588 CD PRO A 36 19.290 -2.733 1.610 1.00 0.00 C ATOM 0 HA PRO A 36 21.907 -3.144 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.275 -3.901 2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.334 -2.212 1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.271 -3.639 3.298 1.00 0.00 H new ATOM 0 HG3 PRO A 36 20.540 -1.913 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.576 -3.544 1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 36 18.741 -1.800 1.735 1.00 0.00 H new ATOM 596 N ASP A 37 21.251 -5.731 1.296 1.00 0.00 N ATOM 597 CA ASP A 37 21.254 -7.189 1.211 1.00 0.00 C ATOM 598 C ASP A 37 19.887 -7.776 1.517 1.00 0.00 C ATOM 599 O ASP A 37 19.664 -8.977 1.353 1.00 0.00 O ATOM 600 CB ASP A 37 22.306 -7.784 2.147 1.00 0.00 C ATOM 601 CG ASP A 37 23.712 -7.471 1.689 1.00 0.00 C ATOM 602 OD1 ASP A 37 24.146 -8.035 0.666 1.00 0.00 O ATOM 603 OD2 ASP A 37 24.393 -6.656 2.345 1.00 0.00 O ATOM 0 H ASP A 37 21.344 -5.360 2.241 1.00 0.00 H new ATOM 0 HA ASP A 37 21.506 -7.451 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.157 -7.394 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.174 -8.865 2.201 1.00 0.00 H new ATOM 608 N ASN A 38 18.963 -6.931 1.949 1.00 0.00 N ATOM 609 CA ASN A 38 17.618 -7.394 2.249 1.00 0.00 C ATOM 610 C ASN A 38 16.716 -7.200 1.043 1.00 0.00 C ATOM 611 O ASN A 38 16.244 -6.098 0.776 1.00 0.00 O ATOM 612 CB ASN A 38 17.031 -6.654 3.459 1.00 0.00 C ATOM 613 CG ASN A 38 17.786 -6.938 4.745 1.00 0.00 C ATOM 614 OD1 ASN A 38 17.529 -7.931 5.421 1.00 0.00 O ATOM 615 ND2 ASN A 38 18.697 -6.048 5.113 1.00 0.00 N ATOM 0 H ASN A 38 19.117 -5.934 2.098 1.00 0.00 H new ATOM 0 HA ASN A 38 17.677 -8.455 2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.044 -5.582 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.987 -6.943 3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.212 -6.176 5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.883 -5.236 4.525 1.00 0.00 H new ATOM 622 N LYS A 39 16.482 -8.280 0.317 1.00 0.00 N ATOM 623 CA LYS A 39 15.606 -8.248 -0.843 1.00 0.00 C ATOM 624 C LYS A 39 14.255 -8.830 -0.474 1.00 0.00 C ATOM 625 O LYS A 39 13.223 -8.448 -1.024 1.00 0.00 O ATOM 626 CB LYS A 39 16.212 -9.048 -1.997 1.00 0.00 C ATOM 627 CG LYS A 39 17.626 -8.631 -2.368 1.00 0.00 C ATOM 628 CD LYS A 39 17.686 -7.188 -2.842 1.00 0.00 C ATOM 629 CE LYS A 39 19.082 -6.816 -3.312 1.00 0.00 C ATOM 630 NZ LYS A 39 19.518 -7.643 -4.469 1.00 0.00 N ATOM 0 H LYS A 39 16.889 -9.195 0.512 1.00 0.00 H new ATOM 0 HA LYS A 39 15.486 -7.213 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.215 -10.105 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.572 -8.942 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.280 -8.757 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.004 -9.287 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.975 -7.041 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.385 -6.524 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.102 -5.763 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.787 -6.942 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.326 -7.186 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.801 -8.586 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.733 -7.736 -5.145 1.00 0.00 H new ATOM 644 N GLU A 40 14.282 -9.751 0.480 1.00 0.00 N ATOM 645 CA GLU A 40 13.077 -10.401 0.974 1.00 0.00 C ATOM 646 C GLU A 40 12.109 -9.364 1.529 1.00 0.00 C ATOM 647 O GLU A 40 10.909 -9.407 1.275 1.00 0.00 O ATOM 648 CB GLU A 40 13.438 -11.393 2.077 1.00 0.00 C ATOM 649 CG GLU A 40 12.276 -12.263 2.509 1.00 0.00 C ATOM 650 CD GLU A 40 12.397 -12.736 3.939 1.00 0.00 C ATOM 651 OE1 GLU A 40 13.391 -13.414 4.272 1.00 0.00 O ATOM 652 OE2 GLU A 40 11.486 -12.436 4.734 1.00 0.00 O ATOM 0 H GLU A 40 15.139 -10.068 0.932 1.00 0.00 H new ATOM 0 HA GLU A 40 12.603 -10.929 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.250 -12.031 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.812 -10.844 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.347 -11.704 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.211 -13.128 1.849 1.00 0.00 H new ATOM 659 N PHE A 41 12.654 -8.424 2.283 1.00 0.00 N ATOM 660 CA PHE A 41 11.863 -7.350 2.858 1.00 0.00 C ATOM 661 C PHE A 41 11.413 -6.380 1.779 1.00 0.00 C ATOM 662 O PHE A 41 10.294 -5.877 1.817 1.00 0.00 O ATOM 663 CB PHE A 41 12.656 -6.623 3.941 1.00 0.00 C ATOM 664 CG PHE A 41 12.967 -7.487 5.129 1.00 0.00 C ATOM 665 CD1 PHE A 41 14.114 -8.266 5.161 1.00 0.00 C ATOM 666 CD2 PHE A 41 12.106 -7.527 6.214 1.00 0.00 C ATOM 667 CE1 PHE A 41 14.395 -9.066 6.249 1.00 0.00 C ATOM 668 CE2 PHE A 41 12.383 -8.324 7.307 1.00 0.00 C ATOM 669 CZ PHE A 41 13.530 -9.094 7.325 1.00 0.00 C ATOM 0 H PHE A 41 13.647 -8.384 2.512 1.00 0.00 H new ATOM 0 HA PHE A 41 10.975 -7.784 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 41 13.589 -6.255 3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.091 -5.751 4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.796 -8.246 4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.208 -6.928 6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.290 -9.670 6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 41 11.704 -8.345 8.147 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.750 -9.717 8.179 1.00 0.00 H new ATOM 679 N ALA A 42 12.289 -6.137 0.811 1.00 0.00 N ATOM 680 CA ALA A 42 11.993 -5.220 -0.277 1.00 0.00 C ATOM 681 C ALA A 42 10.823 -5.728 -1.116 1.00 0.00 C ATOM 682 O ALA A 42 9.927 -4.961 -1.465 1.00 0.00 O ATOM 683 CB ALA A 42 13.224 -5.012 -1.147 1.00 0.00 C ATOM 0 H ALA A 42 13.213 -6.566 0.760 1.00 0.00 H new ATOM 0 HA ALA A 42 11.707 -4.261 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.985 -4.323 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.030 -4.596 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.540 -5.968 -1.565 1.00 0.00 H new ATOM 689 N GLU A 43 10.817 -7.024 -1.430 1.00 0.00 N ATOM 690 CA GLU A 43 9.722 -7.594 -2.201 1.00 0.00 C ATOM 691 C GLU A 43 8.443 -7.625 -1.364 1.00 0.00 C ATOM 692 O GLU A 43 7.365 -7.347 -1.877 1.00 0.00 O ATOM 693 CB GLU A 43 10.058 -8.997 -2.733 1.00 0.00 C ATOM 694 CG GLU A 43 10.267 -10.050 -1.658 1.00 0.00 C ATOM 695 CD GLU A 43 10.388 -11.447 -2.225 1.00 0.00 C ATOM 696 OE1 GLU A 43 9.344 -12.110 -2.417 1.00 0.00 O ATOM 697 OE2 GLU A 43 11.525 -11.900 -2.480 1.00 0.00 O ATOM 0 H GLU A 43 11.547 -7.686 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 43 9.563 -6.953 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.253 -9.324 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.961 -8.934 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.168 -9.812 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.433 -10.018 -0.957 1.00 0.00 H new ATOM 704 N LYS A 44 8.572 -7.940 -0.071 1.00 0.00 N ATOM 705 CA LYS A 44 7.422 -7.942 0.830 1.00 0.00 C ATOM 706 C LYS A 44 6.776 -6.565 0.891 1.00 0.00 C ATOM 707 O LYS A 44 5.559 -6.435 0.753 1.00 0.00 O ATOM 708 CB LYS A 44 7.822 -8.369 2.242 1.00 0.00 C ATOM 709 CG LYS A 44 7.931 -9.872 2.428 1.00 0.00 C ATOM 710 CD LYS A 44 8.179 -10.225 3.886 1.00 0.00 C ATOM 711 CE LYS A 44 8.029 -11.718 4.138 1.00 0.00 C ATOM 712 NZ LYS A 44 9.103 -12.509 3.485 1.00 0.00 N ATOM 0 H LYS A 44 9.456 -8.195 0.370 1.00 0.00 H new ATOM 0 HA LYS A 44 6.706 -8.661 0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.780 -7.913 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.090 -7.978 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.014 -10.352 2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.743 -10.260 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.182 -9.907 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.479 -9.677 4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.043 -11.907 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.059 -12.051 3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.862 -13.520 3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.197 -12.213 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.003 -12.349 3.981 1.00 0.00 H new ATOM 726 N LYS A 45 7.604 -5.542 1.072 1.00 0.00 N ATOM 727 CA LYS A 45 7.123 -4.171 1.190 1.00 0.00 C ATOM 728 C LYS A 45 6.484 -3.714 -0.107 1.00 0.00 C ATOM 729 O LYS A 45 5.505 -2.970 -0.099 1.00 0.00 O ATOM 730 CB LYS A 45 8.262 -3.230 1.588 1.00 0.00 C ATOM 731 CG LYS A 45 8.655 -3.359 3.050 1.00 0.00 C ATOM 732 CD LYS A 45 7.445 -3.204 3.944 1.00 0.00 C ATOM 733 CE LYS A 45 7.822 -3.124 5.409 1.00 0.00 C ATOM 734 NZ LYS A 45 6.626 -2.936 6.275 1.00 0.00 N ATOM 0 H LYS A 45 8.617 -5.638 1.140 1.00 0.00 H new ATOM 0 HA LYS A 45 6.366 -4.143 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.132 -3.437 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.963 -2.201 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.119 -4.330 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.398 -2.602 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.900 -2.304 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.771 -4.047 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.343 -4.036 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.516 -2.297 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.669 -2.001 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.765 -3.000 5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.607 -3.675 7.007 1.00 0.00 H new ATOM 748 N PHE A 46 7.036 -4.174 -1.216 1.00 0.00 N ATOM 749 CA PHE A 46 6.495 -3.843 -2.526 1.00 0.00 C ATOM 750 C PHE A 46 5.119 -4.479 -2.712 1.00 0.00 C ATOM 751 O PHE A 46 4.204 -3.855 -3.247 1.00 0.00 O ATOM 752 CB PHE A 46 7.447 -4.306 -3.633 1.00 0.00 C ATOM 753 CG PHE A 46 6.954 -3.992 -5.020 1.00 0.00 C ATOM 754 CD1 PHE A 46 6.982 -2.692 -5.501 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.462 -4.995 -5.840 1.00 0.00 C ATOM 756 CE1 PHE A 46 6.527 -2.399 -6.773 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.007 -4.709 -7.112 1.00 0.00 C ATOM 758 CZ PHE A 46 6.038 -3.410 -7.579 1.00 0.00 C ATOM 0 H PHE A 46 7.858 -4.778 -1.237 1.00 0.00 H new ATOM 0 HA PHE A 46 6.389 -2.760 -2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.419 -3.835 -3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.598 -5.382 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.364 -1.899 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.434 -6.013 -5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.554 -1.382 -7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.627 -5.501 -7.741 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.681 -3.184 -8.573 1.00 0.00 H new ATOM 768 N LYS A 47 4.976 -5.717 -2.257 1.00 0.00 N ATOM 769 CA LYS A 47 3.712 -6.433 -2.388 1.00 0.00 C ATOM 770 C LYS A 47 2.639 -5.810 -1.507 1.00 0.00 C ATOM 771 O LYS A 47 1.519 -5.568 -1.962 1.00 0.00 O ATOM 772 CB LYS A 47 3.879 -7.906 -2.019 1.00 0.00 C ATOM 773 CG LYS A 47 4.886 -8.643 -2.883 1.00 0.00 C ATOM 774 CD LYS A 47 5.115 -10.055 -2.378 1.00 0.00 C ATOM 775 CE LYS A 47 6.340 -10.686 -3.017 1.00 0.00 C ATOM 776 NZ LYS A 47 6.585 -12.058 -2.502 1.00 0.00 N ATOM 0 H LYS A 47 5.716 -6.245 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 47 3.402 -6.360 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.188 -7.977 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.912 -8.403 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.530 -8.676 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.830 -8.099 -2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.236 -10.039 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.237 -10.665 -2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.208 -10.722 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.213 -10.063 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.590 -12.299 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.336 -12.100 -1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.001 -12.737 -3.031 1.00 0.00 H new ATOM 790 N GLU A 48 2.990 -5.531 -0.254 1.00 0.00 N ATOM 791 CA GLU A 48 2.020 -5.018 0.707 1.00 0.00 C ATOM 792 C GLU A 48 1.556 -3.615 0.333 1.00 0.00 C ATOM 793 O GLU A 48 0.384 -3.287 0.493 1.00 0.00 O ATOM 794 CB GLU A 48 2.582 -5.036 2.136 1.00 0.00 C ATOM 795 CG GLU A 48 3.850 -4.225 2.321 1.00 0.00 C ATOM 796 CD GLU A 48 4.343 -4.238 3.751 1.00 0.00 C ATOM 797 OE1 GLU A 48 4.874 -5.275 4.197 1.00 0.00 O ATOM 798 OE2 GLU A 48 4.211 -3.207 4.439 1.00 0.00 O ATOM 0 H GLU A 48 3.933 -5.651 0.117 1.00 0.00 H new ATOM 0 HA GLU A 48 1.155 -5.681 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.820 -4.657 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.781 -6.069 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.628 -4.620 1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.667 -3.196 2.013 1.00 0.00 H new ATOM 805 N VAL A 49 2.459 -2.786 -0.180 1.00 0.00 N ATOM 806 CA VAL A 49 2.072 -1.446 -0.590 1.00 0.00 C ATOM 807 C VAL A 49 1.229 -1.503 -1.857 1.00 0.00 C ATOM 808 O VAL A 49 0.266 -0.756 -1.998 1.00 0.00 O ATOM 809 CB VAL A 49 3.280 -0.500 -0.796 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.177 -0.965 -1.932 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.802 0.916 -1.050 1.00 0.00 C ATOM 0 H VAL A 49 3.444 -3.014 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 49 1.482 -1.030 0.227 1.00 0.00 H new ATOM 0 HB VAL A 49 3.872 -0.520 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.012 -0.273 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.558 -1.962 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.605 -0.994 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.662 1.570 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.179 0.935 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.221 1.263 -0.196 1.00 0.00 H new ATOM 821 N ALA A 50 1.571 -2.409 -2.766 1.00 0.00 N ATOM 822 CA ALA A 50 0.845 -2.524 -4.022 1.00 0.00 C ATOM 823 C ALA A 50 -0.605 -2.929 -3.789 1.00 0.00 C ATOM 824 O ALA A 50 -1.516 -2.345 -4.371 1.00 0.00 O ATOM 825 CB ALA A 50 1.530 -3.508 -4.946 1.00 0.00 C ATOM 0 H ALA A 50 2.341 -3.069 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 50 0.845 -1.543 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.972 -3.580 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.544 -3.166 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.568 -4.488 -4.470 1.00 0.00 H new ATOM 831 N GLU A 51 -0.822 -3.903 -2.913 1.00 0.00 N ATOM 832 CA GLU A 51 -2.169 -4.371 -2.632 1.00 0.00 C ATOM 833 C GLU A 51 -2.940 -3.333 -1.824 1.00 0.00 C ATOM 834 O GLU A 51 -4.112 -3.061 -2.088 1.00 0.00 O ATOM 835 CB GLU A 51 -2.129 -5.717 -1.893 1.00 0.00 C ATOM 836 CG GLU A 51 -1.442 -5.669 -0.532 1.00 0.00 C ATOM 837 CD GLU A 51 -1.415 -7.022 0.159 1.00 0.00 C ATOM 838 OE1 GLU A 51 -2.499 -7.579 0.429 1.00 0.00 O ATOM 839 OE2 GLU A 51 -0.309 -7.545 0.428 1.00 0.00 O ATOM 0 H GLU A 51 -0.087 -4.379 -2.390 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.687 -4.518 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.150 -6.074 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.616 -6.447 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.421 -5.309 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.957 -4.950 0.105 1.00 0.00 H new ATOM 846 N ALA A 52 -2.257 -2.729 -0.863 1.00 0.00 N ATOM 847 CA ALA A 52 -2.883 -1.798 0.056 1.00 0.00 C ATOM 848 C ALA A 52 -3.163 -0.446 -0.598 1.00 0.00 C ATOM 849 O ALA A 52 -4.199 0.168 -0.346 1.00 0.00 O ATOM 850 CB ALA A 52 -2.014 -1.632 1.285 1.00 0.00 C ATOM 0 H ALA A 52 -1.260 -2.871 -0.701 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.848 -2.212 0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.487 -0.932 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.891 -2.597 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.037 -1.247 0.991 1.00 0.00 H new ATOM 856 N TYR A 53 -2.245 0.022 -1.432 1.00 0.00 N ATOM 857 CA TYR A 53 -2.437 1.292 -2.118 1.00 0.00 C ATOM 858 C TYR A 53 -3.497 1.141 -3.205 1.00 0.00 C ATOM 859 O TYR A 53 -4.286 2.054 -3.440 1.00 0.00 O ATOM 860 CB TYR A 53 -1.107 1.811 -2.695 1.00 0.00 C ATOM 861 CG TYR A 53 -1.029 1.843 -4.210 1.00 0.00 C ATOM 862 CD1 TYR A 53 -0.597 0.736 -4.935 1.00 0.00 C ATOM 863 CD2 TYR A 53 -1.385 2.987 -4.916 1.00 0.00 C ATOM 864 CE1 TYR A 53 -0.526 0.770 -6.316 1.00 0.00 C ATOM 865 CE2 TYR A 53 -1.316 3.025 -6.294 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.887 1.917 -6.989 1.00 0.00 C ATOM 867 OH TYR A 53 -0.825 1.956 -8.365 1.00 0.00 O ATOM 0 H TYR A 53 -1.369 -0.453 -1.649 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.788 2.032 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.934 2.819 -2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.297 1.186 -2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.313 -0.164 -4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.721 3.860 -4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.189 -0.098 -6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.598 3.922 -6.826 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.115 2.837 -8.681 1.00 0.00 H new ATOM 877 N GLU A 54 -3.522 -0.023 -3.851 1.00 0.00 N ATOM 878 CA GLU A 54 -4.483 -0.275 -4.916 1.00 0.00 C ATOM 879 C GLU A 54 -5.905 -0.239 -4.368 1.00 0.00 C ATOM 880 O GLU A 54 -6.787 0.390 -4.953 1.00 0.00 O ATOM 881 CB GLU A 54 -4.205 -1.621 -5.596 1.00 0.00 C ATOM 882 CG GLU A 54 -5.101 -1.904 -6.795 1.00 0.00 C ATOM 883 CD GLU A 54 -4.701 -3.164 -7.540 1.00 0.00 C ATOM 884 OE1 GLU A 54 -3.769 -3.099 -8.370 1.00 0.00 O ATOM 885 OE2 GLU A 54 -5.321 -4.223 -7.311 1.00 0.00 O ATOM 0 H GLU A 54 -2.891 -0.800 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.377 0.511 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.164 -1.646 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.331 -2.419 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.133 -1.998 -6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.065 -1.056 -7.479 1.00 0.00 H new ATOM 892 N VAL A 55 -6.116 -0.898 -3.233 1.00 0.00 N ATOM 893 CA VAL A 55 -7.435 -0.939 -2.618 1.00 0.00 C ATOM 894 C VAL A 55 -7.834 0.423 -2.039 1.00 0.00 C ATOM 895 O VAL A 55 -8.976 0.851 -2.181 1.00 0.00 O ATOM 896 CB VAL A 55 -7.541 -2.043 -1.535 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.566 -1.810 -0.401 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.962 -2.145 -1.002 1.00 0.00 C ATOM 0 H VAL A 55 -5.394 -1.408 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.137 -1.188 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.279 -2.989 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.671 -2.605 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.548 -1.809 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.776 -0.849 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.011 -2.926 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.254 -1.192 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.640 -2.390 -1.819 1.00 0.00 H new ATOM 908 N LEU A 56 -6.894 1.113 -1.401 1.00 0.00 N ATOM 909 CA LEU A 56 -7.206 2.380 -0.749 1.00 0.00 C ATOM 910 C LEU A 56 -7.402 3.519 -1.745 1.00 0.00 C ATOM 911 O LEU A 56 -8.199 4.430 -1.505 1.00 0.00 O ATOM 912 CB LEU A 56 -6.115 2.743 0.259 1.00 0.00 C ATOM 913 CG LEU A 56 -6.326 4.063 1.010 1.00 0.00 C ATOM 914 CD1 LEU A 56 -7.623 4.038 1.795 1.00 0.00 C ATOM 915 CD2 LEU A 56 -5.152 4.335 1.930 1.00 0.00 C ATOM 0 H LEU A 56 -5.920 0.820 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.153 2.243 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.036 1.938 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.161 2.792 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.391 4.868 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.750 4.985 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.459 3.886 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.594 3.224 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.313 5.275 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.061 3.524 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.237 4.402 1.342 1.00 0.00 H new ATOM 927 N SER A 57 -6.706 3.458 -2.871 1.00 0.00 N ATOM 928 CA SER A 57 -6.770 4.530 -3.853 1.00 0.00 C ATOM 929 C SER A 57 -8.004 4.390 -4.733 1.00 0.00 C ATOM 930 O SER A 57 -8.464 5.365 -5.334 1.00 0.00 O ATOM 931 CB SER A 57 -5.505 4.537 -4.722 1.00 0.00 C ATOM 932 OG SER A 57 -5.495 5.634 -5.620 1.00 0.00 O ATOM 0 H SER A 57 -6.094 2.683 -3.126 1.00 0.00 H new ATOM 0 HA SER A 57 -6.836 5.475 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.624 4.582 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.444 3.605 -5.284 1.00 0.00 H new ATOM 0 HG SER A 57 -5.457 5.302 -6.541 1.00 0.00 H new ATOM 938 N ASP A 58 -8.549 3.185 -4.795 1.00 0.00 N ATOM 939 CA ASP A 58 -9.656 2.907 -5.699 1.00 0.00 C ATOM 940 C ASP A 58 -10.934 2.642 -4.923 1.00 0.00 C ATOM 941 O ASP A 58 -10.982 1.758 -4.071 1.00 0.00 O ATOM 942 CB ASP A 58 -9.333 1.721 -6.598 1.00 0.00 C ATOM 943 CG ASP A 58 -10.413 1.484 -7.630 1.00 0.00 C ATOM 944 OD1 ASP A 58 -10.347 2.095 -8.717 1.00 0.00 O ATOM 945 OD2 ASP A 58 -11.344 0.706 -7.357 1.00 0.00 O ATOM 0 H ASP A 58 -8.246 2.388 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.807 3.787 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.382 1.896 -7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.211 0.826 -5.988 1.00 0.00 H new ATOM 950 N LYS A 59 -11.970 3.408 -5.238 1.00 0.00 N ATOM 951 CA LYS A 59 -13.224 3.350 -4.512 1.00 0.00 C ATOM 952 C LYS A 59 -13.933 2.009 -4.719 1.00 0.00 C ATOM 953 O LYS A 59 -14.608 1.518 -3.817 1.00 0.00 O ATOM 954 CB LYS A 59 -14.101 4.555 -4.906 1.00 0.00 C ATOM 955 CG LYS A 59 -15.594 4.283 -4.966 1.00 0.00 C ATOM 956 CD LYS A 59 -15.994 3.780 -6.343 1.00 0.00 C ATOM 957 CE LYS A 59 -15.879 4.869 -7.396 1.00 0.00 C ATOM 958 NZ LYS A 59 -16.720 6.054 -7.073 1.00 0.00 N ATOM 0 H LYS A 59 -11.961 4.084 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.023 3.415 -3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.924 5.360 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.775 4.916 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.865 3.545 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.144 5.194 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.361 2.938 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -17.019 3.411 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.837 5.178 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.176 4.468 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.843 6.636 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -17.650 5.737 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.255 6.618 -6.333 1.00 0.00 H new ATOM 972 N HIS A 60 -13.767 1.410 -5.895 1.00 0.00 N ATOM 973 CA HIS A 60 -14.359 0.102 -6.163 1.00 0.00 C ATOM 974 C HIS A 60 -13.678 -0.961 -5.320 1.00 0.00 C ATOM 975 O HIS A 60 -14.334 -1.842 -4.772 1.00 0.00 O ATOM 976 CB HIS A 60 -14.263 -0.273 -7.643 1.00 0.00 C ATOM 977 CG HIS A 60 -15.154 0.529 -8.533 1.00 0.00 C ATOM 978 ND1 HIS A 60 -16.466 0.804 -8.234 1.00 0.00 N ATOM 979 CD2 HIS A 60 -14.917 1.098 -9.735 1.00 0.00 C ATOM 980 CE1 HIS A 60 -17.003 1.504 -9.215 1.00 0.00 C ATOM 981 NE2 HIS A 60 -16.082 1.698 -10.141 1.00 0.00 N ATOM 0 H HIS A 60 -13.234 1.804 -6.670 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.415 0.159 -5.900 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -13.231 -0.149 -7.972 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -14.509 -1.329 -7.756 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -16.950 0.512 -7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -13.983 1.083 -10.277 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -18.023 1.858 -9.254 1.00 0.00 H new ATOM 990 N LYS A 61 -12.357 -0.875 -5.221 1.00 0.00 N ATOM 991 CA LYS A 61 -11.599 -1.762 -4.343 1.00 0.00 C ATOM 992 C LYS A 61 -12.023 -1.569 -2.891 1.00 0.00 C ATOM 993 O LYS A 61 -12.084 -2.524 -2.120 1.00 0.00 O ATOM 994 CB LYS A 61 -10.097 -1.524 -4.486 1.00 0.00 C ATOM 995 CG LYS A 61 -9.426 -2.348 -5.577 1.00 0.00 C ATOM 996 CD LYS A 61 -9.994 -2.057 -6.950 1.00 0.00 C ATOM 997 CE LYS A 61 -9.235 -2.803 -8.029 1.00 0.00 C ATOM 998 NZ LYS A 61 -9.269 -4.276 -7.827 1.00 0.00 N ATOM 0 H LYS A 61 -11.788 -0.203 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.814 -2.789 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.928 -0.467 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.615 -1.745 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.356 -2.142 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.546 -3.408 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.046 -2.342 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.949 -0.986 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.661 -2.562 -9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.199 -2.464 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.903 -4.751 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.679 -4.528 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.248 -4.580 -7.655 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.318 -0.325 -2.525 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.842 -0.014 -1.197 1.00 0.00 C ATOM 1014 C ARG A 62 -14.160 -0.752 -0.974 1.00 0.00 C ATOM 1015 O ARG A 62 -14.418 -1.281 0.111 1.00 0.00 O ATOM 1016 CB ARG A 62 -13.059 1.496 -1.052 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.796 2.321 -1.235 1.00 0.00 C ATOM 1018 CD ARG A 62 -10.921 2.302 0.004 1.00 0.00 C ATOM 1019 NE ARG A 62 -11.567 2.973 1.128 1.00 0.00 N ATOM 1020 CZ ARG A 62 -11.448 4.273 1.385 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -10.639 5.034 0.653 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -12.125 4.809 2.388 1.00 0.00 N ATOM 0 H ARG A 62 -12.203 0.487 -3.131 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.119 -0.338 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.801 1.818 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.475 1.700 -0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.231 1.936 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.066 3.350 -1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.696 1.271 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.970 2.789 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.144 2.411 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.104 4.622 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.553 6.030 0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.735 4.226 2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.037 5.805 2.588 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.988 -0.786 -2.015 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.238 -1.535 -1.986 1.00 0.00 C ATOM 1038 C GLU A 63 -15.949 -3.027 -1.871 1.00 0.00 C ATOM 1039 O GLU A 63 -16.625 -3.747 -1.137 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.062 -1.267 -3.252 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.403 0.198 -3.472 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.163 0.435 -4.764 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -17.530 0.474 -5.840 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -19.400 0.590 -4.712 1.00 0.00 O ATOM 0 H GLU A 63 -14.813 -0.299 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.812 -1.208 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.509 -1.634 -4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.987 -1.840 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.999 0.558 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.483 0.783 -3.484 1.00 0.00 H new ATOM 1051 N ILE A 64 -14.925 -3.480 -2.591 1.00 0.00 N ATOM 1052 CA ILE A 64 -14.546 -4.887 -2.593 1.00 0.00 C ATOM 1053 C ILE A 64 -14.073 -5.321 -1.212 1.00 0.00 C ATOM 1054 O ILE A 64 -14.477 -6.370 -0.723 1.00 0.00 O ATOM 1055 CB ILE A 64 -13.439 -5.184 -3.635 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -13.950 -4.915 -5.055 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -12.945 -6.621 -3.515 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -15.139 -5.767 -5.450 1.00 0.00 C ATOM 0 H ILE A 64 -14.342 -2.888 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 64 -15.435 -5.455 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.601 -4.517 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.225 -3.864 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.139 -5.090 -5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.168 -6.802 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.537 -6.783 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.775 -7.307 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.443 -5.519 -6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.864 -6.821 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -15.967 -5.575 -4.767 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.244 -4.504 -0.570 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.752 -4.833 0.761 1.00 0.00 C ATOM 1072 C TYR A 65 -13.903 -4.877 1.760 1.00 0.00 C ATOM 1073 O TYR A 65 -13.930 -5.717 2.654 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.695 -3.835 1.240 1.00 0.00 C ATOM 1075 CG TYR A 65 -11.092 -4.224 2.575 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -10.011 -5.093 2.642 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -11.622 -3.744 3.766 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -9.473 -5.469 3.859 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -11.095 -4.120 4.985 1.00 0.00 C ATOM 1080 CZ TYR A 65 -10.021 -4.981 5.026 1.00 0.00 C ATOM 1081 OH TYR A 65 -9.501 -5.362 6.242 1.00 0.00 O ATOM 0 H TYR A 65 -12.902 -3.619 -0.945 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.286 -5.816 0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.903 -3.764 0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.145 -2.846 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.584 -5.481 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.461 -3.065 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.628 -6.141 3.895 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.523 -3.741 5.902 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.002 -4.927 6.963 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.857 -3.975 1.590 1.00 0.00 N ATOM 1092 CA ASP A 66 -15.998 -3.893 2.494 1.00 0.00 C ATOM 1093 C ASP A 66 -16.818 -5.180 2.461 1.00 0.00 C ATOM 1094 O ASP A 66 -17.191 -5.715 3.504 1.00 0.00 O ATOM 1095 CB ASP A 66 -16.881 -2.702 2.122 1.00 0.00 C ATOM 1096 CG ASP A 66 -17.967 -2.440 3.146 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -17.682 -1.758 4.152 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -19.113 -2.896 2.944 1.00 0.00 O ATOM 0 H ASP A 66 -14.866 -3.289 0.835 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.618 -3.755 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.260 -1.812 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.339 -2.884 1.150 1.00 0.00 H new ATOM 1103 N ARG A 67 -17.074 -5.683 1.259 1.00 0.00 N ATOM 1104 CA ARG A 67 -17.895 -6.878 1.089 1.00 0.00 C ATOM 1105 C ARG A 67 -17.068 -8.169 1.144 1.00 0.00 C ATOM 1106 O ARG A 67 -17.413 -9.101 1.865 1.00 0.00 O ATOM 1107 CB ARG A 67 -18.671 -6.790 -0.231 1.00 0.00 C ATOM 1108 CG ARG A 67 -17.786 -6.702 -1.464 1.00 0.00 C ATOM 1109 CD ARG A 67 -18.435 -5.881 -2.561 1.00 0.00 C ATOM 1110 NE ARG A 67 -19.710 -6.444 -2.996 1.00 0.00 N ATOM 1111 CZ ARG A 67 -20.803 -5.718 -3.225 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -20.793 -4.409 -3.008 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -21.905 -6.306 -3.662 1.00 0.00 N ATOM 0 H ARG A 67 -16.726 -5.283 0.388 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.596 -6.919 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.315 -7.664 -0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.322 -5.916 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -16.828 -6.257 -1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.578 -7.705 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.593 -4.863 -2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.758 -5.819 -3.413 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.767 -7.453 -3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.946 -3.955 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.632 -3.856 -3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.916 -7.313 -3.823 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.743 -5.752 -3.838 1.00 0.00 H new ATOM 1127 N TYR A 68 -15.965 -8.209 0.406 1.00 0.00 N ATOM 1128 CA TYR A 68 -15.208 -9.443 0.215 1.00 0.00 C ATOM 1129 C TYR A 68 -14.068 -9.554 1.223 1.00 0.00 C ATOM 1130 O TYR A 68 -13.436 -10.602 1.348 1.00 0.00 O ATOM 1131 CB TYR A 68 -14.671 -9.500 -1.222 1.00 0.00 C ATOM 1132 CG TYR A 68 -13.972 -10.794 -1.584 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -14.665 -11.997 -1.612 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -12.619 -10.808 -1.896 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -14.028 -13.179 -1.944 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -11.976 -11.985 -2.228 1.00 0.00 C ATOM 1137 CZ TYR A 68 -12.683 -13.166 -2.250 1.00 0.00 C ATOM 1138 OH TYR A 68 -12.042 -14.338 -2.577 1.00 0.00 O ATOM 0 H TYR A 68 -15.573 -7.398 -0.072 1.00 0.00 H new ATOM 0 HA TYR A 68 -15.874 -10.290 0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.500 -9.345 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -13.976 -8.674 -1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.718 -12.010 -1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.060 -9.884 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.580 -14.107 -1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.923 -11.979 -2.469 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.098 -14.153 -2.766 1.00 0.00 H new ATOM 1148 N GLY A 69 -13.816 -8.475 1.949 1.00 0.00 N ATOM 1149 CA GLY A 69 -12.823 -8.507 3.007 1.00 0.00 C ATOM 1150 C GLY A 69 -13.204 -9.491 4.082 1.00 0.00 C ATOM 1151 O GLY A 69 -12.380 -10.265 4.568 1.00 0.00 O ATOM 0 H GLY A 69 -14.281 -7.576 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.853 -8.777 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.718 -7.513 3.441 1.00 0.00 H new ATOM 1155 N ARG A 70 -14.469 -9.432 4.446 1.00 0.00 N ATOM 1156 CA ARG A 70 -15.061 -10.361 5.398 1.00 0.00 C ATOM 1157 C ARG A 70 -15.114 -11.783 4.837 1.00 0.00 C ATOM 1158 O ARG A 70 -14.973 -12.759 5.579 1.00 0.00 O ATOM 1159 CB ARG A 70 -16.470 -9.894 5.762 1.00 0.00 C ATOM 1160 CG ARG A 70 -16.491 -8.564 6.493 1.00 0.00 C ATOM 1161 CD ARG A 70 -15.854 -8.686 7.867 1.00 0.00 C ATOM 1162 NE ARG A 70 -16.557 -9.660 8.705 1.00 0.00 N ATOM 1163 CZ ARG A 70 -16.270 -9.894 9.986 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -15.279 -9.245 10.588 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -16.979 -10.785 10.665 1.00 0.00 N ATOM 0 H ARG A 70 -15.123 -8.735 4.089 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.434 -10.377 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -17.064 -9.810 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.947 -10.651 6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.959 -7.815 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -17.519 -8.217 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.811 -8.984 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.859 -7.713 8.358 1.00 0.00 H new ATOM 0 HE ARG A 70 -17.316 -10.194 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.729 -8.560 10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.068 -9.432 11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.740 -11.287 10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.764 -10.968 11.645 1.00 0.00 H new ATOM 1179 N GLU A 71 -15.325 -11.891 3.529 1.00 0.00 N ATOM 1180 CA GLU A 71 -15.450 -13.186 2.874 1.00 0.00 C ATOM 1181 C GLU A 71 -14.074 -13.805 2.618 1.00 0.00 C ATOM 1182 O GLU A 71 -13.672 -13.910 1.442 1.00 0.00 O ATOM 1183 CB GLU A 71 -16.221 -13.040 1.555 1.00 0.00 C ATOM 1184 CG GLU A 71 -17.575 -12.364 1.713 1.00 0.00 C ATOM 1185 CD GLU A 71 -18.356 -12.293 0.415 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -18.117 -11.367 -0.388 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -19.229 -13.159 0.194 1.00 0.00 O ATOM 0 H GLU A 71 -15.413 -11.093 2.900 1.00 0.00 H new ATOM 0 HA GLU A 71 -16.004 -13.851 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.617 -12.466 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.366 -14.028 1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.162 -12.906 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.429 -11.355 2.098 1.00 0.00 H new