USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 39 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= -0.691 X(o=-0.69,f=-0.32) USER MOD Set 2.1: A 35 CYS SG : rot 31:sc= -0.949 USER MOD Set 2.2: A 69 SER OG : rot -91:sc= 1.38 USER MOD Set 2.3: A 71 THR OG1 : rot -52:sc= 0.59 USER MOD Set 3.1: A 18 ASN : amide:sc= 1.1 K(o=1.8,f=-1.3) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 135:sc= 0.715 (180deg=0) USER MOD Set 4.1: A 16 GLN : amide:sc= -0.0369 X(o=-3.7,f=-4.1) USER MOD Set 4.2: A 81 MET CE :methyl 165:sc= -3.68! (180deg=-4.81!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.011) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0877 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 150:sc= -0.0185 USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0122) USER MOD Single : A 45 MET CE :methyl -115:sc= -0.765 (180deg=-3.47!) USER MOD Single : A 47 MET CE :methyl -147:sc= -0.764 (180deg=-2.02!) USER MOD Single : A 50 GLN :FLIP amide:sc=-0.00953 F(o=-0.59,f=-0.0095) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 53 THR OG1 : rot -120:sc= -0.663 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 135:sc= -2.83 (180deg=-9.56!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.905 8.342 0.565 1.00 0.00 N ATOM 66 CA TYR A 5 -5.636 7.404 -0.530 1.00 0.00 C ATOM 67 C TYR A 5 -6.867 7.272 -1.427 1.00 0.00 C ATOM 68 O TYR A 5 -6.753 7.184 -2.652 1.00 0.00 O ATOM 69 CB TYR A 5 -5.269 6.015 0.014 1.00 0.00 C ATOM 70 CG TYR A 5 -4.044 6.118 0.895 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.765 6.087 0.327 1.00 0.00 C ATOM 72 CD2 TYR A 5 -4.191 6.251 2.281 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.636 6.190 1.145 1.00 0.00 C ATOM 74 CE2 TYR A 5 -3.061 6.352 3.099 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.782 6.323 2.532 1.00 0.00 C ATOM 76 OH TYR A 5 -0.669 6.427 3.339 1.00 0.00 O ATOM 0 HA TYR A 5 -4.797 7.797 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.104 5.605 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.078 5.330 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.651 5.984 -0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.178 6.276 2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.649 6.167 0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.176 6.452 4.168 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.950 6.514 4.274 1.00 0.00 H new ATOM 86 N LYS A 6 -8.046 7.266 -0.796 1.00 0.00 N ATOM 87 CA LYS A 6 -9.308 7.151 -1.532 1.00 0.00 C ATOM 88 C LYS A 6 -9.794 8.521 -2.025 1.00 0.00 C ATOM 89 O LYS A 6 -10.637 8.602 -2.920 1.00 0.00 O ATOM 90 CB LYS A 6 -10.390 6.533 -0.642 1.00 0.00 C ATOM 91 CG LYS A 6 -10.383 5.010 -0.812 1.00 0.00 C ATOM 92 CD LYS A 6 -11.215 4.365 0.300 1.00 0.00 C ATOM 93 CE LYS A 6 -10.287 3.847 1.402 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.003 3.868 2.711 1.00 0.00 N ATOM 0 H LYS A 6 -8.152 7.339 0.216 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.125 6.509 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.211 6.794 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.368 6.935 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.790 4.741 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.360 4.635 -0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.915 5.092 0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.808 3.545 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.962 2.833 1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.391 4.465 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.371 3.516 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.292 4.842 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.846 3.261 2.656 1.00 0.00 H new ATOM 108 N ALA A 7 -9.259 9.598 -1.433 1.00 0.00 N ATOM 109 CA ALA A 7 -9.651 10.955 -1.823 1.00 0.00 C ATOM 110 C ALA A 7 -9.113 11.310 -3.213 1.00 0.00 C ATOM 111 O ALA A 7 -9.707 12.117 -3.924 1.00 0.00 O ATOM 112 CB ALA A 7 -9.124 11.976 -0.811 1.00 0.00 C ATOM 0 H ALA A 7 -8.561 9.555 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.740 10.986 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.424 12.979 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.536 11.758 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.036 11.920 -0.770 1.00 0.00 H new ATOM 118 N ALA A 8 -7.983 10.704 -3.593 1.00 0.00 N ATOM 119 CA ALA A 8 -7.383 10.974 -4.901 1.00 0.00 C ATOM 120 C ALA A 8 -8.027 10.115 -5.989 1.00 0.00 C ATOM 121 O ALA A 8 -8.306 10.599 -7.086 1.00 0.00 O ATOM 122 CB ALA A 8 -5.881 10.689 -4.870 1.00 0.00 C ATOM 0 H ALA A 8 -7.472 10.032 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.554 12.026 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.451 10.895 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.405 11.326 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.714 9.643 -4.613 1.00 0.00 H new ATOM 128 N VAL A 9 -8.255 8.837 -5.674 1.00 0.00 N ATOM 129 CA VAL A 9 -8.867 7.913 -6.637 1.00 0.00 C ATOM 130 C VAL A 9 -10.313 8.322 -6.962 1.00 0.00 C ATOM 131 O VAL A 9 -10.833 7.991 -8.029 1.00 0.00 O ATOM 132 CB VAL A 9 -8.843 6.471 -6.100 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.826 6.321 -4.934 1.00 0.00 C ATOM 134 CG2 VAL A 9 -9.234 5.500 -7.219 1.00 0.00 C ATOM 0 H VAL A 9 -8.029 8.421 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.280 7.961 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.836 6.244 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.798 5.296 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.546 7.004 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.834 6.556 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.217 4.479 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.237 5.738 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.527 5.591 -8.043 1.00 0.00 H new ATOM 144 N GLU A 10 -10.955 9.046 -6.037 1.00 0.00 N ATOM 145 CA GLU A 10 -12.332 9.490 -6.250 1.00 0.00 C ATOM 146 C GLU A 10 -12.391 10.751 -7.123 1.00 0.00 C ATOM 147 O GLU A 10 -13.439 11.063 -7.691 1.00 0.00 O ATOM 148 CB GLU A 10 -13.019 9.762 -4.905 1.00 0.00 C ATOM 149 CG GLU A 10 -12.374 10.972 -4.217 1.00 0.00 C ATOM 150 CD GLU A 10 -13.359 11.589 -3.230 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.140 12.427 -3.650 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.315 11.218 -2.069 1.00 0.00 O ATOM 0 H GLU A 10 -10.548 9.332 -5.147 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.856 8.690 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.082 9.947 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.940 8.884 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.467 10.665 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.080 11.711 -4.962 1.00 0.00 H new ATOM 159 N GLN A 11 -11.266 11.476 -7.226 1.00 0.00 N ATOM 160 CA GLN A 11 -11.235 12.696 -8.040 1.00 0.00 C ATOM 161 C GLN A 11 -10.006 12.727 -8.959 1.00 0.00 C ATOM 162 O GLN A 11 -9.493 13.798 -9.296 1.00 0.00 O ATOM 163 CB GLN A 11 -11.237 13.941 -7.142 1.00 0.00 C ATOM 164 CG GLN A 11 -9.959 13.984 -6.295 1.00 0.00 C ATOM 165 CD GLN A 11 -10.163 14.915 -5.103 1.00 0.00 C ATOM 166 OE1 GLN A 11 -9.505 15.950 -4.998 1.00 0.00 O ATOM 167 NE2 GLN A 11 -11.045 14.609 -4.188 1.00 0.00 N ATOM 0 H GLN A 11 -10.386 11.244 -6.766 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.130 12.696 -8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.307 14.840 -7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.112 13.929 -6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.708 12.982 -5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.121 14.331 -6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.591 13.752 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.187 15.227 -3.389 1.00 0.00 H new ATOM 176 N LEU A 12 -9.545 11.542 -9.372 1.00 0.00 N ATOM 177 CA LEU A 12 -8.379 11.453 -10.262 1.00 0.00 C ATOM 178 C LEU A 12 -8.773 11.794 -11.701 1.00 0.00 C ATOM 179 O LEU A 12 -9.955 11.960 -12.015 1.00 0.00 O ATOM 180 CB LEU A 12 -7.749 10.049 -10.234 1.00 0.00 C ATOM 181 CG LEU A 12 -8.717 8.871 -10.061 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.836 8.948 -11.104 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.952 7.556 -10.233 1.00 0.00 C ATOM 0 H LEU A 12 -9.952 10.644 -9.111 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.645 12.173 -9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.196 9.904 -11.162 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.022 10.016 -9.422 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.157 8.916 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.516 8.107 -10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.385 9.882 -10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.404 8.911 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.638 6.718 -10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.509 7.520 -11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.164 7.493 -9.483 1.00 0.00 H new ATOM 195 N THR A 13 -7.767 11.899 -12.572 1.00 0.00 N ATOM 196 CA THR A 13 -8.012 12.221 -13.979 1.00 0.00 C ATOM 197 C THR A 13 -8.158 10.948 -14.808 1.00 0.00 C ATOM 198 O THR A 13 -7.813 9.851 -14.362 1.00 0.00 O ATOM 199 CB THR A 13 -6.857 13.051 -14.566 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.683 12.872 -13.785 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.244 14.530 -14.582 1.00 0.00 C ATOM 0 H THR A 13 -6.785 11.767 -12.331 1.00 0.00 H new ATOM 0 HA THR A 13 -8.935 12.799 -14.020 1.00 0.00 H new ATOM 0 HB THR A 13 -6.660 12.717 -15.585 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.952 13.402 -14.166 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.425 15.116 -14.998 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.135 14.666 -15.195 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.449 14.864 -13.565 1.00 0.00 H new ATOM 209 N ASP A 14 -8.655 11.119 -16.034 1.00 0.00 N ATOM 210 CA ASP A 14 -8.826 9.990 -16.949 1.00 0.00 C ATOM 211 C ASP A 14 -7.458 9.474 -17.393 1.00 0.00 C ATOM 212 O ASP A 14 -7.279 8.278 -17.631 1.00 0.00 O ATOM 213 CB ASP A 14 -9.627 10.411 -18.183 1.00 0.00 C ATOM 214 CG ASP A 14 -11.114 10.439 -17.841 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.582 11.475 -17.396 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.763 9.422 -18.025 1.00 0.00 O ATOM 0 H ASP A 14 -8.944 12.020 -16.414 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.369 9.203 -16.425 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.303 11.395 -18.522 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.445 9.716 -19.002 1.00 0.00 H new ATOM 221 N GLU A 15 -6.491 10.396 -17.484 1.00 0.00 N ATOM 222 CA GLU A 15 -5.128 10.039 -17.881 1.00 0.00 C ATOM 223 C GLU A 15 -4.489 9.124 -16.833 1.00 0.00 C ATOM 224 O GLU A 15 -3.700 8.242 -17.170 1.00 0.00 O ATOM 225 CB GLU A 15 -4.265 11.296 -18.034 1.00 0.00 C ATOM 226 CG GLU A 15 -4.732 12.099 -19.252 1.00 0.00 C ATOM 227 CD GLU A 15 -4.813 13.579 -18.889 1.00 0.00 C ATOM 228 OE1 GLU A 15 -5.802 13.969 -18.290 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.884 14.300 -19.214 1.00 0.00 O ATOM 0 H GLU A 15 -6.628 11.388 -17.289 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.183 9.518 -18.837 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.335 11.908 -17.135 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.218 11.018 -18.150 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.040 11.955 -20.082 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.707 11.742 -19.584 1.00 0.00 H new ATOM 236 N GLN A 16 -4.848 9.342 -15.562 1.00 0.00 N ATOM 237 CA GLN A 16 -4.318 8.530 -14.464 1.00 0.00 C ATOM 238 C GLN A 16 -4.920 7.127 -14.502 1.00 0.00 C ATOM 239 O GLN A 16 -4.214 6.131 -14.337 1.00 0.00 O ATOM 240 CB GLN A 16 -4.644 9.174 -13.115 1.00 0.00 C ATOM 241 CG GLN A 16 -3.426 9.946 -12.607 1.00 0.00 C ATOM 242 CD GLN A 16 -3.857 10.923 -11.515 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.524 12.106 -11.568 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.587 10.495 -10.519 1.00 0.00 N ATOM 0 H GLN A 16 -5.500 10.070 -15.271 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.236 8.467 -14.584 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.496 9.846 -13.218 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.928 8.407 -12.394 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.681 9.253 -12.216 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.957 10.487 -13.429 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.864 9.514 -10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.880 11.142 -9.787 1.00 0.00 H new ATOM 253 N LYS A 17 -6.238 7.066 -14.729 1.00 0.00 N ATOM 254 CA LYS A 17 -6.941 5.783 -14.802 1.00 0.00 C ATOM 255 C LYS A 17 -6.383 4.937 -15.946 1.00 0.00 C ATOM 256 O LYS A 17 -6.195 3.729 -15.804 1.00 0.00 O ATOM 257 CB LYS A 17 -8.439 6.000 -15.035 1.00 0.00 C ATOM 258 CG LYS A 17 -9.085 6.583 -13.773 1.00 0.00 C ATOM 259 CD LYS A 17 -10.293 7.441 -14.165 1.00 0.00 C ATOM 260 CE LYS A 17 -11.444 6.538 -14.622 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.279 7.261 -15.624 1.00 0.00 N ATOM 0 H LYS A 17 -6.833 7.883 -14.864 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.793 5.266 -13.854 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.591 6.676 -15.877 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.916 5.055 -15.295 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.398 5.779 -13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.360 7.186 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.610 8.049 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.018 8.129 -14.965 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.049 5.620 -15.057 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.054 6.248 -13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.060 6.647 -15.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.667 8.125 -15.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.693 7.516 -16.445 1.00 0.00 H new ATOM 275 N ASN A 18 -6.119 5.590 -17.082 1.00 0.00 N ATOM 276 CA ASN A 18 -5.578 4.895 -18.254 1.00 0.00 C ATOM 277 C ASN A 18 -4.073 4.648 -18.110 1.00 0.00 C ATOM 278 O ASN A 18 -3.532 3.723 -18.717 1.00 0.00 O ATOM 279 CB ASN A 18 -5.832 5.711 -19.526 1.00 0.00 C ATOM 280 CG ASN A 18 -7.258 5.470 -20.013 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.477 4.707 -20.953 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.252 6.081 -19.424 1.00 0.00 N ATOM 0 H ASN A 18 -6.269 6.590 -17.215 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.087 3.934 -18.326 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.680 6.772 -19.326 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.120 5.427 -20.301 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.208 5.925 -19.744 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.072 6.714 -18.645 1.00 0.00 H new ATOM 289 N GLU A 19 -3.402 5.481 -17.303 1.00 0.00 N ATOM 290 CA GLU A 19 -1.957 5.343 -17.086 1.00 0.00 C ATOM 291 C GLU A 19 -1.618 3.934 -16.596 1.00 0.00 C ATOM 292 O GLU A 19 -0.731 3.273 -17.140 1.00 0.00 O ATOM 293 CB GLU A 19 -1.470 6.365 -16.052 1.00 0.00 C ATOM 294 CG GLU A 19 0.060 6.329 -15.966 1.00 0.00 C ATOM 295 CD GLU A 19 0.540 7.388 -14.979 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.639 7.074 -13.804 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.802 8.499 -15.413 1.00 0.00 O ATOM 0 H GLU A 19 -3.834 6.252 -16.793 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.457 5.523 -18.037 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.804 7.365 -16.330 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.903 6.144 -15.077 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.394 5.342 -15.647 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.494 6.510 -16.949 1.00 0.00 H new ATOM 304 N PHE A 20 -2.333 3.485 -15.562 1.00 0.00 N ATOM 305 CA PHE A 20 -2.101 2.154 -15.001 1.00 0.00 C ATOM 306 C PHE A 20 -2.894 1.093 -15.763 1.00 0.00 C ATOM 307 O PHE A 20 -2.372 0.024 -16.068 1.00 0.00 O ATOM 308 CB PHE A 20 -2.519 2.108 -13.532 1.00 0.00 C ATOM 309 CG PHE A 20 -1.469 2.772 -12.670 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.363 2.039 -12.218 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.608 4.118 -12.313 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.598 2.651 -11.410 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.645 4.732 -11.503 1.00 0.00 C ATOM 314 CZ PHE A 20 0.458 3.997 -11.049 1.00 0.00 C ATOM 0 H PHE A 20 -3.070 4.018 -15.101 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.035 1.946 -15.090 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.477 2.611 -13.403 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.657 1.073 -13.218 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.254 1.001 -12.495 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.459 4.684 -12.663 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.450 2.086 -11.063 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.752 5.771 -11.228 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.200 4.468 -10.421 1.00 0.00 H new ATOM 324 N LYS A 21 -4.165 1.398 -16.055 1.00 0.00 N ATOM 325 CA LYS A 21 -5.036 0.454 -16.771 1.00 0.00 C ATOM 326 C LYS A 21 -4.398 -0.013 -18.085 1.00 0.00 C ATOM 327 O LYS A 21 -4.600 -1.153 -18.503 1.00 0.00 O ATOM 328 CB LYS A 21 -6.398 1.095 -17.059 1.00 0.00 C ATOM 329 CG LYS A 21 -7.325 0.078 -17.736 1.00 0.00 C ATOM 330 CD LYS A 21 -7.349 0.326 -19.248 1.00 0.00 C ATOM 331 CE LYS A 21 -8.528 1.236 -19.601 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.295 1.859 -20.935 1.00 0.00 N ATOM 0 H LYS A 21 -4.611 2.282 -15.810 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.174 -0.416 -16.129 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.847 1.447 -16.130 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.270 1.966 -17.701 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.981 -0.936 -17.530 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.332 0.162 -17.328 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.414 0.786 -19.566 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.435 -0.621 -19.781 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.454 0.661 -19.613 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.644 2.010 -18.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.166 1.805 -21.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.024 2.855 -20.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.532 1.352 -21.426 1.00 0.00 H new ATOM 346 N ALA A 22 -3.622 0.869 -18.726 1.00 0.00 N ATOM 347 CA ALA A 22 -2.954 0.514 -19.984 1.00 0.00 C ATOM 348 C ALA A 22 -2.023 -0.677 -19.761 1.00 0.00 C ATOM 349 O ALA A 22 -2.157 -1.717 -20.408 1.00 0.00 O ATOM 350 CB ALA A 22 -2.138 1.695 -20.514 1.00 0.00 C ATOM 0 H ALA A 22 -3.443 1.819 -18.401 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.719 0.253 -20.715 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.651 1.411 -21.447 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.799 2.543 -20.693 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.382 1.973 -19.780 1.00 0.00 H new ATOM 356 N ALA A 23 -1.093 -0.513 -18.815 1.00 0.00 N ATOM 357 CA ALA A 23 -0.151 -1.578 -18.474 1.00 0.00 C ATOM 358 C ALA A 23 -0.903 -2.758 -17.860 1.00 0.00 C ATOM 359 O ALA A 23 -0.596 -3.918 -18.125 1.00 0.00 O ATOM 360 CB ALA A 23 0.886 -1.074 -17.465 1.00 0.00 C ATOM 0 H ALA A 23 -0.974 0.344 -18.275 1.00 0.00 H new ATOM 0 HA ALA A 23 0.356 -1.892 -19.386 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.579 -1.880 -17.222 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.437 -0.239 -17.896 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.380 -0.745 -16.557 1.00 0.00 H new ATOM 366 N PHE A 24 -1.900 -2.436 -17.037 1.00 0.00 N ATOM 367 CA PHE A 24 -2.711 -3.457 -16.376 1.00 0.00 C ATOM 368 C PHE A 24 -3.389 -4.377 -17.398 1.00 0.00 C ATOM 369 O PHE A 24 -3.444 -5.589 -17.208 1.00 0.00 O ATOM 370 CB PHE A 24 -3.791 -2.791 -15.513 1.00 0.00 C ATOM 371 CG PHE A 24 -4.316 -3.778 -14.498 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.261 -4.738 -14.877 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.854 -3.733 -13.179 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.745 -5.652 -13.938 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.339 -4.648 -12.240 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.283 -5.607 -12.620 1.00 0.00 C ATOM 0 H PHE A 24 -2.165 -1.477 -16.812 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.047 -4.055 -15.751 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.378 -1.919 -15.006 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.606 -2.436 -16.144 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.616 -4.772 -15.896 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.124 -2.993 -12.886 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.475 -6.392 -14.230 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.984 -4.614 -11.220 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.656 -6.314 -11.894 1.00 0.00 H new ATOM 386 N ASP A 25 -3.914 -3.781 -18.473 1.00 0.00 N ATOM 387 CA ASP A 25 -4.607 -4.549 -19.514 1.00 0.00 C ATOM 388 C ASP A 25 -3.662 -5.517 -20.236 1.00 0.00 C ATOM 389 O ASP A 25 -4.018 -6.671 -20.484 1.00 0.00 O ATOM 390 CB ASP A 25 -5.230 -3.602 -20.546 1.00 0.00 C ATOM 391 CG ASP A 25 -6.353 -4.318 -21.290 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.480 -4.252 -20.827 1.00 0.00 O ATOM 393 OD2 ASP A 25 -6.069 -4.924 -22.312 1.00 0.00 O ATOM 0 H ASP A 25 -3.873 -2.776 -18.645 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.385 -5.130 -19.018 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.619 -2.713 -20.050 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.470 -3.266 -21.251 1.00 0.00 H new ATOM 398 N ILE A 26 -2.467 -5.033 -20.586 1.00 0.00 N ATOM 399 CA ILE A 26 -1.491 -5.868 -21.302 1.00 0.00 C ATOM 400 C ILE A 26 -0.890 -6.948 -20.392 1.00 0.00 C ATOM 401 O ILE A 26 -0.635 -8.069 -20.837 1.00 0.00 O ATOM 402 CB ILE A 26 -0.359 -5.011 -21.894 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.301 -4.171 -20.790 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.938 -4.082 -22.965 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.503 -3.410 -21.354 1.00 0.00 C ATOM 0 H ILE A 26 -2.153 -4.083 -20.390 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.031 -6.359 -22.112 1.00 0.00 H new ATOM 0 HB ILE A 26 0.392 -5.665 -22.337 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.422 -3.468 -20.376 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.621 -4.818 -19.973 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.140 -3.472 -23.388 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.396 -4.678 -23.754 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.691 -3.434 -22.516 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.963 -2.818 -20.563 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.231 -4.120 -21.746 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.172 -2.749 -22.155 1.00 0.00 H new ATOM 417 N PHE A 27 -0.658 -6.603 -19.120 1.00 0.00 N ATOM 418 CA PHE A 27 -0.077 -7.562 -18.170 1.00 0.00 C ATOM 419 C PHE A 27 -1.125 -8.566 -17.675 1.00 0.00 C ATOM 420 O PHE A 27 -0.795 -9.714 -17.372 1.00 0.00 O ATOM 421 CB PHE A 27 0.543 -6.833 -16.969 1.00 0.00 C ATOM 422 CG PHE A 27 1.723 -6.005 -17.434 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.698 -6.572 -18.267 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.836 -4.666 -17.042 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.779 -5.801 -18.707 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.919 -3.896 -17.483 1.00 0.00 C ATOM 427 CZ PHE A 27 3.889 -4.463 -18.316 1.00 0.00 C ATOM 0 H PHE A 27 -0.859 -5.683 -18.728 1.00 0.00 H new ATOM 0 HA PHE A 27 0.703 -8.108 -18.700 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.201 -6.192 -16.496 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.865 -7.555 -16.219 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.614 -7.605 -18.569 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.088 -4.227 -16.399 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.529 -6.239 -19.349 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.005 -2.863 -17.180 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.723 -3.867 -18.657 1.00 0.00 H new ATOM 437 N ILE A 28 -2.391 -8.133 -17.608 1.00 0.00 N ATOM 438 CA ILE A 28 -3.473 -9.014 -17.161 1.00 0.00 C ATOM 439 C ILE A 28 -4.243 -9.562 -18.382 1.00 0.00 C ATOM 440 O ILE A 28 -5.465 -9.715 -18.372 1.00 0.00 O ATOM 441 CB ILE A 28 -4.393 -8.249 -16.180 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.945 -9.215 -15.119 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.546 -7.541 -16.908 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.972 -10.170 -15.732 1.00 0.00 C ATOM 0 H ILE A 28 -2.687 -7.189 -17.855 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.063 -9.871 -16.627 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.794 -7.479 -15.694 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.127 -9.787 -14.681 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.407 -8.648 -14.310 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.167 -7.016 -16.182 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.140 -6.825 -17.623 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.150 -8.279 -17.437 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.348 -10.843 -14.962 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.800 -9.596 -16.148 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.500 -10.752 -16.524 1.00 0.00 H new ATOM 456 N GLN A 29 -3.487 -9.868 -19.440 1.00 0.00 N ATOM 457 CA GLN A 29 -4.071 -10.402 -20.669 1.00 0.00 C ATOM 458 C GLN A 29 -4.390 -11.890 -20.509 1.00 0.00 C ATOM 459 O GLN A 29 -5.526 -12.319 -20.715 1.00 0.00 O ATOM 460 CB GLN A 29 -3.100 -10.216 -21.839 1.00 0.00 C ATOM 461 CG GLN A 29 -3.813 -10.523 -23.157 1.00 0.00 C ATOM 462 CD GLN A 29 -2.923 -10.109 -24.326 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.320 -10.956 -24.984 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.800 -8.843 -24.625 1.00 0.00 N ATOM 0 H GLN A 29 -2.474 -9.755 -19.469 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.994 -9.859 -20.872 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.720 -9.194 -21.850 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.240 -10.875 -21.718 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.042 -11.587 -23.220 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.762 -9.989 -23.202 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.299 -8.140 -24.081 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.205 -8.558 -25.403 1.00 0.00 H new ATOM 473 N ASP A 30 -3.370 -12.668 -20.137 1.00 0.00 N ATOM 474 CA ASP A 30 -3.541 -14.112 -19.949 1.00 0.00 C ATOM 475 C ASP A 30 -4.006 -14.452 -18.522 1.00 0.00 C ATOM 476 O ASP A 30 -4.214 -15.624 -18.200 1.00 0.00 O ATOM 477 CB ASP A 30 -2.221 -14.841 -20.230 1.00 0.00 C ATOM 478 CG ASP A 30 -2.508 -16.246 -20.752 1.00 0.00 C ATOM 479 OD1 ASP A 30 -2.835 -16.369 -21.921 1.00 0.00 O ATOM 480 OD2 ASP A 30 -2.394 -17.181 -19.975 1.00 0.00 O ATOM 0 H ASP A 30 -2.425 -12.327 -19.961 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.309 -14.440 -20.650 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.636 -14.284 -20.961 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.624 -14.896 -19.320 1.00 0.00 H new ATOM 485 N ALA A 31 -4.177 -13.429 -17.671 1.00 0.00 N ATOM 486 CA ALA A 31 -4.624 -13.660 -16.297 1.00 0.00 C ATOM 487 C ALA A 31 -6.142 -13.507 -16.200 1.00 0.00 C ATOM 488 O ALA A 31 -6.762 -12.798 -16.997 1.00 0.00 O ATOM 489 CB ALA A 31 -3.956 -12.672 -15.338 1.00 0.00 C ATOM 0 H ALA A 31 -4.015 -12.450 -17.908 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.342 -14.675 -16.017 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.302 -12.861 -14.322 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.874 -12.797 -15.382 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.215 -11.653 -15.626 1.00 0.00 H new ATOM 495 N GLU A 32 -6.728 -14.186 -15.215 1.00 0.00 N ATOM 496 CA GLU A 32 -8.179 -14.130 -15.011 1.00 0.00 C ATOM 497 C GLU A 32 -8.514 -13.876 -13.536 1.00 0.00 C ATOM 498 O GLU A 32 -9.489 -14.412 -13.003 1.00 0.00 O ATOM 499 CB GLU A 32 -8.833 -15.443 -15.463 1.00 0.00 C ATOM 500 CG GLU A 32 -8.853 -15.512 -16.994 1.00 0.00 C ATOM 501 CD GLU A 32 -9.963 -14.614 -17.537 1.00 0.00 C ATOM 502 OE1 GLU A 32 -11.087 -15.080 -17.624 1.00 0.00 O ATOM 503 OE2 GLU A 32 -9.671 -13.472 -17.858 1.00 0.00 O ATOM 0 H GLU A 32 -6.228 -14.777 -14.550 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.569 -13.306 -15.609 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.282 -16.292 -15.059 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.849 -15.507 -15.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.889 -15.197 -17.394 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.013 -16.540 -17.319 1.00 0.00 H new ATOM 510 N ASP A 33 -7.694 -13.047 -12.882 1.00 0.00 N ATOM 511 CA ASP A 33 -7.908 -12.723 -11.467 1.00 0.00 C ATOM 512 C ASP A 33 -8.024 -11.207 -11.239 1.00 0.00 C ATOM 513 O ASP A 33 -8.245 -10.763 -10.110 1.00 0.00 O ATOM 514 CB ASP A 33 -6.753 -13.266 -10.620 1.00 0.00 C ATOM 515 CG ASP A 33 -6.959 -14.757 -10.369 1.00 0.00 C ATOM 516 OD1 ASP A 33 -6.581 -15.542 -11.226 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.493 -15.093 -9.325 1.00 0.00 O ATOM 0 H ASP A 33 -6.884 -12.592 -13.304 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.846 -13.190 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.805 -13.101 -11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.701 -12.731 -9.672 1.00 0.00 H new ATOM 522 N GLY A 34 -7.871 -10.414 -12.311 1.00 0.00 N ATOM 523 CA GLY A 34 -7.961 -8.957 -12.196 1.00 0.00 C ATOM 524 C GLY A 34 -6.781 -8.397 -11.402 1.00 0.00 C ATOM 525 O GLY A 34 -6.954 -7.538 -10.536 1.00 0.00 O ATOM 0 H GLY A 34 -7.687 -10.755 -13.254 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.980 -8.511 -13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.896 -8.684 -11.706 1.00 0.00 H new ATOM 529 N CYS A 35 -5.580 -8.899 -11.707 1.00 0.00 N ATOM 530 CA CYS A 35 -4.368 -8.451 -11.019 1.00 0.00 C ATOM 531 C CYS A 35 -3.124 -8.784 -11.844 1.00 0.00 C ATOM 532 O CYS A 35 -3.067 -9.816 -12.518 1.00 0.00 O ATOM 533 CB CYS A 35 -4.251 -9.121 -9.647 1.00 0.00 C ATOM 534 SG CYS A 35 -4.436 -10.915 -9.827 1.00 0.00 S ATOM 0 H CYS A 35 -5.423 -9.611 -12.421 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.438 -7.371 -10.892 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.285 -8.888 -9.199 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.016 -8.732 -8.975 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.974 -11.285 -10.985 1.00 0.00 H new ATOM 540 N ILE A 36 -2.123 -7.901 -11.775 1.00 0.00 N ATOM 541 CA ILE A 36 -0.873 -8.113 -12.514 1.00 0.00 C ATOM 542 C ILE A 36 0.125 -8.886 -11.649 1.00 0.00 C ATOM 543 O ILE A 36 -0.162 -9.223 -10.498 1.00 0.00 O ATOM 544 CB ILE A 36 -0.248 -6.774 -12.952 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.300 -6.014 -11.732 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.302 -5.915 -13.655 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.833 -6.054 -11.748 1.00 0.00 C ATOM 0 H ILE A 36 -2.151 -7.044 -11.223 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.107 -8.692 -13.407 1.00 0.00 H new ATOM 0 HB ILE A 36 0.572 -6.981 -13.639 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.047 -4.981 -11.748 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.076 -6.462 -10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.855 -4.970 -13.962 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.675 -6.443 -14.533 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.128 -5.720 -12.971 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.220 -5.515 -10.883 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.170 -7.090 -11.711 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.200 -5.585 -12.661 1.00 0.00 H new ATOM 559 N SER A 37 1.299 -9.163 -12.216 1.00 0.00 N ATOM 560 CA SER A 37 2.331 -9.897 -11.487 1.00 0.00 C ATOM 561 C SER A 37 3.265 -8.933 -10.756 1.00 0.00 C ATOM 562 O SER A 37 4.061 -8.229 -11.381 1.00 0.00 O ATOM 563 CB SER A 37 3.153 -10.765 -12.444 1.00 0.00 C ATOM 564 OG SER A 37 3.924 -11.697 -11.694 1.00 0.00 O ATOM 0 H SER A 37 1.557 -8.894 -13.166 1.00 0.00 H new ATOM 0 HA SER A 37 1.832 -10.536 -10.758 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.492 -11.293 -13.132 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.808 -10.138 -13.049 1.00 0.00 H new ATOM 0 HG SER A 37 4.449 -12.254 -12.306 1.00 0.00 H new ATOM 570 N THR A 38 3.162 -8.918 -9.422 1.00 0.00 N ATOM 571 CA THR A 38 4.015 -8.050 -8.595 1.00 0.00 C ATOM 572 C THR A 38 5.490 -8.316 -8.897 1.00 0.00 C ATOM 573 O THR A 38 6.318 -7.404 -8.868 1.00 0.00 O ATOM 574 CB THR A 38 3.772 -8.299 -7.100 1.00 0.00 C ATOM 575 OG1 THR A 38 4.048 -9.658 -6.790 1.00 0.00 O ATOM 576 CG2 THR A 38 2.321 -7.979 -6.753 1.00 0.00 C ATOM 0 H THR A 38 2.504 -9.491 -8.894 1.00 0.00 H new ATOM 0 HA THR A 38 3.762 -7.017 -8.834 1.00 0.00 H new ATOM 0 HB THR A 38 4.431 -7.655 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.362 -9.725 -5.864 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.153 -8.157 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.114 -6.934 -6.983 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.658 -8.617 -7.337 1.00 0.00 H new ATOM 584 N LYS A 39 5.802 -9.581 -9.199 1.00 0.00 N ATOM 585 CA LYS A 39 7.177 -9.971 -9.524 1.00 0.00 C ATOM 586 C LYS A 39 7.631 -9.280 -10.808 1.00 0.00 C ATOM 587 O LYS A 39 8.809 -8.959 -10.974 1.00 0.00 O ATOM 588 CB LYS A 39 7.288 -11.494 -9.715 1.00 0.00 C ATOM 589 CG LYS A 39 6.557 -12.240 -8.589 1.00 0.00 C ATOM 590 CD LYS A 39 6.915 -11.628 -7.231 1.00 0.00 C ATOM 591 CE LYS A 39 6.199 -12.398 -6.119 1.00 0.00 C ATOM 592 NZ LYS A 39 6.651 -11.897 -4.790 1.00 0.00 N ATOM 0 H LYS A 39 5.127 -10.346 -9.225 1.00 0.00 H new ATOM 0 HA LYS A 39 7.813 -9.668 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.864 -11.776 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.338 -11.788 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.480 -12.188 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.830 -13.295 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.993 -11.664 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.625 -10.578 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.120 -12.277 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.410 -13.464 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.228 -12.478 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.688 -11.956 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.353 -10.908 -4.672 1.00 0.00 H new ATOM 606 N GLU A 40 6.673 -9.047 -11.712 1.00 0.00 N ATOM 607 CA GLU A 40 6.965 -8.384 -12.982 1.00 0.00 C ATOM 608 C GLU A 40 6.511 -6.918 -12.953 1.00 0.00 C ATOM 609 O GLU A 40 6.241 -6.324 -14.001 1.00 0.00 O ATOM 610 CB GLU A 40 6.257 -9.103 -14.134 1.00 0.00 C ATOM 611 CG GLU A 40 6.848 -10.505 -14.311 1.00 0.00 C ATOM 612 CD GLU A 40 6.336 -11.113 -15.615 1.00 0.00 C ATOM 613 OE1 GLU A 40 5.293 -11.747 -15.581 1.00 0.00 O ATOM 614 OE2 GLU A 40 6.996 -10.936 -16.626 1.00 0.00 O ATOM 0 H GLU A 40 5.695 -9.307 -11.586 1.00 0.00 H new ATOM 0 HA GLU A 40 8.044 -8.420 -13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.188 -9.172 -13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.370 -8.532 -15.055 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.937 -10.453 -14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.569 -11.138 -13.468 1.00 0.00 H new ATOM 621 N LEU A 41 6.434 -6.331 -11.746 1.00 0.00 N ATOM 622 CA LEU A 41 6.020 -4.930 -11.614 1.00 0.00 C ATOM 623 C LEU A 41 6.995 -4.007 -12.349 1.00 0.00 C ATOM 624 O LEU A 41 6.602 -2.951 -12.837 1.00 0.00 O ATOM 625 CB LEU A 41 5.944 -4.505 -10.146 1.00 0.00 C ATOM 626 CG LEU A 41 4.658 -3.766 -9.755 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.480 -3.819 -8.237 1.00 0.00 C ATOM 628 CD2 LEU A 41 4.745 -2.304 -10.206 1.00 0.00 C ATOM 0 H LEU A 41 6.649 -6.798 -10.865 1.00 0.00 H new ATOM 0 HA LEU A 41 5.028 -4.845 -12.058 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.041 -5.392 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.797 -3.863 -9.924 1.00 0.00 H new ATOM 0 HG LEU A 41 3.807 -4.244 -10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.566 -3.294 -7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.414 -4.858 -7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.333 -3.343 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.830 -1.782 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.597 -1.825 -9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.870 -2.264 -11.288 1.00 0.00 H new ATOM 640 N GLY A 42 8.268 -4.422 -12.437 1.00 0.00 N ATOM 641 CA GLY A 42 9.279 -3.627 -13.138 1.00 0.00 C ATOM 642 C GLY A 42 8.859 -3.372 -14.589 1.00 0.00 C ATOM 643 O GLY A 42 9.162 -2.323 -15.159 1.00 0.00 O ATOM 0 H GLY A 42 8.616 -5.293 -12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.422 -2.677 -12.624 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.236 -4.148 -13.118 1.00 0.00 H new ATOM 647 N LYS A 43 8.141 -4.345 -15.170 1.00 0.00 N ATOM 648 CA LYS A 43 7.658 -4.226 -16.550 1.00 0.00 C ATOM 649 C LYS A 43 6.592 -3.129 -16.659 1.00 0.00 C ATOM 650 O LYS A 43 6.430 -2.513 -17.713 1.00 0.00 O ATOM 651 CB LYS A 43 7.051 -5.551 -17.031 1.00 0.00 C ATOM 652 CG LYS A 43 8.086 -6.675 -16.916 1.00 0.00 C ATOM 653 CD LYS A 43 8.971 -6.689 -18.165 1.00 0.00 C ATOM 654 CE LYS A 43 9.735 -8.016 -18.237 1.00 0.00 C ATOM 655 NZ LYS A 43 8.852 -9.075 -18.805 1.00 0.00 N ATOM 0 H LYS A 43 7.884 -5.217 -14.707 1.00 0.00 H new ATOM 0 HA LYS A 43 8.513 -3.969 -17.175 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.171 -5.794 -16.436 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.720 -5.455 -18.065 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.698 -6.529 -16.026 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.583 -7.636 -16.804 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.359 -6.561 -19.058 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.672 -5.855 -18.136 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.625 -7.901 -18.856 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.073 -8.306 -17.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.133 -10.002 -18.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.864 -8.879 -18.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.942 -9.084 -19.841 1.00 0.00 H new ATOM 669 N VAL A 44 5.874 -2.885 -15.555 1.00 0.00 N ATOM 670 CA VAL A 44 4.836 -1.850 -15.533 1.00 0.00 C ATOM 671 C VAL A 44 5.441 -0.525 -15.057 1.00 0.00 C ATOM 672 O VAL A 44 5.071 0.546 -15.538 1.00 0.00 O ATOM 673 CB VAL A 44 3.633 -2.257 -14.637 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.620 -3.773 -14.409 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.694 -1.554 -13.271 1.00 0.00 C ATOM 0 H VAL A 44 5.992 -3.386 -14.674 1.00 0.00 H new ATOM 0 HA VAL A 44 4.454 -1.730 -16.547 1.00 0.00 H new ATOM 0 HB VAL A 44 2.725 -1.953 -15.157 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.771 -4.039 -13.780 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.535 -4.284 -15.368 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.545 -4.075 -13.917 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.840 -1.859 -12.667 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.617 -1.830 -12.760 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.669 -0.474 -13.416 1.00 0.00 H new ATOM 685 N MET A 45 6.389 -0.617 -14.112 1.00 0.00 N ATOM 686 CA MET A 45 7.057 0.571 -13.580 1.00 0.00 C ATOM 687 C MET A 45 7.787 1.312 -14.697 1.00 0.00 C ATOM 688 O MET A 45 7.751 2.540 -14.761 1.00 0.00 O ATOM 689 CB MET A 45 8.068 0.184 -12.494 1.00 0.00 C ATOM 690 CG MET A 45 7.336 -0.057 -11.172 1.00 0.00 C ATOM 691 SD MET A 45 7.134 1.515 -10.296 1.00 0.00 S ATOM 692 CE MET A 45 8.038 1.063 -8.795 1.00 0.00 C ATOM 0 H MET A 45 6.706 -1.497 -13.706 1.00 0.00 H new ATOM 0 HA MET A 45 6.295 1.219 -13.147 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.609 -0.715 -12.791 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.807 0.976 -12.373 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.362 -0.508 -11.361 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.898 -0.759 -10.556 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.353 1.052 -7.947 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.477 0.073 -8.919 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.829 1.791 -8.614 1.00 0.00 H new ATOM 702 N ARG A 46 8.440 0.550 -15.588 1.00 0.00 N ATOM 703 CA ARG A 46 9.163 1.155 -16.713 1.00 0.00 C ATOM 704 C ARG A 46 8.190 1.932 -17.603 1.00 0.00 C ATOM 705 O ARG A 46 8.527 2.992 -18.133 1.00 0.00 O ATOM 706 CB ARG A 46 9.894 0.090 -17.545 1.00 0.00 C ATOM 707 CG ARG A 46 8.887 -0.888 -18.161 1.00 0.00 C ATOM 708 CD ARG A 46 9.635 -2.026 -18.858 1.00 0.00 C ATOM 709 NE ARG A 46 10.332 -1.540 -20.053 1.00 0.00 N ATOM 710 CZ ARG A 46 11.278 -2.267 -20.663 1.00 0.00 C ATOM 711 NH1 ARG A 46 11.607 -3.455 -20.213 1.00 0.00 N ATOM 712 NH2 ARG A 46 11.881 -1.786 -21.722 1.00 0.00 N ATOM 0 H ARG A 46 8.482 -0.469 -15.552 1.00 0.00 H new ATOM 0 HA ARG A 46 9.909 1.838 -16.306 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.474 0.570 -18.333 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.599 -0.452 -16.915 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.234 -1.290 -17.386 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.250 -0.367 -18.876 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.353 -2.470 -18.169 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.932 -2.812 -19.136 1.00 0.00 H new ATOM 0 HE ARG A 46 10.090 -0.624 -20.430 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.141 -3.835 -19.389 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.329 -3.998 -20.687 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.629 -0.864 -22.077 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.602 -2.334 -22.191 1.00 0.00 H new ATOM 726 N MET A 47 6.965 1.403 -17.731 1.00 0.00 N ATOM 727 CA MET A 47 5.927 2.062 -18.525 1.00 0.00 C ATOM 728 C MET A 47 5.540 3.389 -17.867 1.00 0.00 C ATOM 729 O MET A 47 5.254 4.375 -18.549 1.00 0.00 O ATOM 730 CB MET A 47 4.681 1.172 -18.627 1.00 0.00 C ATOM 731 CG MET A 47 4.623 0.511 -20.007 1.00 0.00 C ATOM 732 SD MET A 47 5.994 -0.659 -20.183 1.00 0.00 S ATOM 733 CE MET A 47 7.025 0.353 -21.274 1.00 0.00 C ATOM 0 H MET A 47 6.673 0.527 -17.297 1.00 0.00 H new ATOM 0 HA MET A 47 6.320 2.243 -19.526 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.704 0.409 -17.849 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.783 1.768 -18.462 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.672 -0.007 -20.133 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.678 1.270 -20.787 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.576 -0.294 -21.957 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.392 1.031 -21.847 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.728 0.932 -20.676 1.00 0.00 H new ATOM 743 N LEU A 48 5.553 3.399 -16.527 1.00 0.00 N ATOM 744 CA LEU A 48 5.224 4.603 -15.761 1.00 0.00 C ATOM 745 C LEU A 48 6.360 5.627 -15.868 1.00 0.00 C ATOM 746 O LEU A 48 6.118 6.836 -15.888 1.00 0.00 O ATOM 747 CB LEU A 48 5.010 4.254 -14.284 1.00 0.00 C ATOM 748 CG LEU A 48 3.580 3.860 -13.889 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.078 2.726 -14.788 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.573 3.388 -12.431 1.00 0.00 C ATOM 0 H LEU A 48 5.787 2.588 -15.955 1.00 0.00 H new ATOM 0 HA LEU A 48 4.308 5.027 -16.172 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.677 3.432 -14.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.310 5.111 -13.681 1.00 0.00 H new ATOM 0 HG LEU A 48 2.926 4.724 -14.006 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.063 2.455 -14.499 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.083 3.056 -15.827 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.730 1.859 -14.679 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.560 3.107 -12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.233 2.527 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.922 4.194 -11.786 1.00 0.00 H new ATOM 762 N GLY A 49 7.599 5.125 -15.945 1.00 0.00 N ATOM 763 CA GLY A 49 8.773 5.996 -16.059 1.00 0.00 C ATOM 764 C GLY A 49 9.855 5.677 -15.013 1.00 0.00 C ATOM 765 O GLY A 49 10.835 6.414 -14.891 1.00 0.00 O ATOM 0 H GLY A 49 7.813 4.128 -15.931 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.199 5.896 -17.058 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.461 7.035 -15.948 1.00 0.00 H new ATOM 769 N GLN A 50 9.678 4.582 -14.257 1.00 0.00 N ATOM 770 CA GLN A 50 10.655 4.200 -13.229 1.00 0.00 C ATOM 771 C GLN A 50 11.135 2.763 -13.441 1.00 0.00 C ATOM 772 O GLN A 50 10.454 1.954 -14.069 1.00 0.00 O ATOM 773 CB GLN A 50 10.035 4.316 -11.833 1.00 0.00 C ATOM 774 CG GLN A 50 9.488 5.732 -11.629 1.00 0.00 C ATOM 775 CD GLN A 50 7.969 5.683 -11.490 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.222 6.206 -12.425 1.00 0.00 O flip ATOM 777 NE2 GLN A 50 7.446 5.159 -10.506 1.00 0.00 N flip ATOM 0 H GLN A 50 8.878 3.954 -14.337 1.00 0.00 H new ATOM 0 HA GLN A 50 11.505 4.878 -13.311 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.234 3.586 -11.718 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.783 4.091 -11.072 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.930 6.178 -10.738 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.765 6.364 -12.473 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.029 4.750 -9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.430 5.134 -10.421 1.00 0.00 H new ATOM 786 N ASN A 51 12.318 2.453 -12.905 1.00 0.00 N ATOM 787 CA ASN A 51 12.878 1.107 -13.040 1.00 0.00 C ATOM 788 C ASN A 51 13.757 0.765 -11.830 1.00 0.00 C ATOM 789 O ASN A 51 14.982 0.910 -11.875 1.00 0.00 O ATOM 790 CB ASN A 51 13.708 0.996 -14.326 1.00 0.00 C ATOM 791 CG ASN A 51 13.724 -0.456 -14.807 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.072 -1.364 -14.052 1.00 0.00 O ATOM 793 ND2 ASN A 51 13.368 -0.730 -16.034 1.00 0.00 N ATOM 0 H ASN A 51 12.900 3.106 -12.380 1.00 0.00 H new ATOM 0 HA ASN A 51 12.050 0.400 -13.089 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.287 1.640 -15.098 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.726 1.340 -14.144 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.379 -1.695 -16.365 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.079 0.021 -16.661 1.00 0.00 H new ATOM 800 N PRO A 52 13.135 0.306 -10.737 1.00 0.00 N ATOM 801 CA PRO A 52 13.858 -0.064 -9.505 1.00 0.00 C ATOM 802 C PRO A 52 14.405 -1.497 -9.551 1.00 0.00 C ATOM 803 O PRO A 52 14.546 -2.088 -10.625 1.00 0.00 O ATOM 804 CB PRO A 52 12.764 0.069 -8.449 1.00 0.00 C ATOM 805 CG PRO A 52 11.430 -0.105 -9.163 1.00 0.00 C ATOM 806 CD PRO A 52 11.671 0.128 -10.658 1.00 0.00 C ATOM 0 HA PRO A 52 14.738 0.553 -9.326 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.886 -0.685 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.816 1.042 -7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.031 -1.105 -8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.695 0.602 -8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.335 -0.718 -11.257 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.138 1.007 -11.020 1.00 0.00 H new ATOM 814 N THR A 53 14.696 -2.049 -8.371 1.00 0.00 N ATOM 815 CA THR A 53 15.213 -3.418 -8.270 1.00 0.00 C ATOM 816 C THR A 53 14.088 -4.348 -7.797 1.00 0.00 C ATOM 817 O THR A 53 12.984 -3.883 -7.502 1.00 0.00 O ATOM 818 CB THR A 53 16.398 -3.478 -7.281 1.00 0.00 C ATOM 819 OG1 THR A 53 15.914 -3.646 -5.953 1.00 0.00 O ATOM 820 CG2 THR A 53 17.221 -2.188 -7.361 1.00 0.00 C ATOM 0 H THR A 53 14.584 -1.573 -7.476 1.00 0.00 H new ATOM 0 HA THR A 53 15.568 -3.739 -9.249 1.00 0.00 H new ATOM 0 HB THR A 53 17.031 -4.324 -7.548 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.205 -2.890 -5.401 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.053 -2.243 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.607 -2.065 -8.373 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.589 -1.337 -7.108 1.00 0.00 H new ATOM 828 N PRO A 54 14.342 -5.664 -7.705 1.00 0.00 N ATOM 829 CA PRO A 54 13.314 -6.620 -7.249 1.00 0.00 C ATOM 830 C PRO A 54 13.079 -6.542 -5.738 1.00 0.00 C ATOM 831 O PRO A 54 11.982 -6.826 -5.257 1.00 0.00 O ATOM 832 CB PRO A 54 13.896 -7.964 -7.669 1.00 0.00 C ATOM 833 CG PRO A 54 15.400 -7.774 -7.801 1.00 0.00 C ATOM 834 CD PRO A 54 15.650 -6.279 -8.027 1.00 0.00 C ATOM 0 HA PRO A 54 12.331 -6.425 -7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.667 -8.732 -6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.464 -8.293 -8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.912 -8.118 -6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.790 -8.359 -8.634 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.442 -5.901 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.950 -6.072 -9.054 1.00 0.00 H new ATOM 842 N GLU A 55 14.116 -6.123 -5.001 1.00 0.00 N ATOM 843 CA GLU A 55 14.002 -5.976 -3.549 1.00 0.00 C ATOM 844 C GLU A 55 13.325 -4.645 -3.198 1.00 0.00 C ATOM 845 O GLU A 55 12.629 -4.541 -2.185 1.00 0.00 O ATOM 846 CB GLU A 55 15.381 -6.047 -2.872 1.00 0.00 C ATOM 847 CG GLU A 55 16.309 -4.961 -3.430 1.00 0.00 C ATOM 848 CD GLU A 55 17.472 -4.735 -2.468 1.00 0.00 C ATOM 849 OE1 GLU A 55 18.467 -5.429 -2.598 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.351 -3.869 -1.618 1.00 0.00 O ATOM 0 H GLU A 55 15.031 -5.883 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 55 13.392 -6.801 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.271 -5.921 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.823 -7.030 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.686 -5.259 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.755 -4.033 -3.571 1.00 0.00 H new ATOM 857 N GLU A 56 13.534 -3.629 -4.051 1.00 0.00 N ATOM 858 CA GLU A 56 12.937 -2.310 -3.825 1.00 0.00 C ATOM 859 C GLU A 56 11.448 -2.324 -4.170 1.00 0.00 C ATOM 860 O GLU A 56 10.632 -1.752 -3.447 1.00 0.00 O ATOM 861 CB GLU A 56 13.632 -1.248 -4.681 1.00 0.00 C ATOM 862 CG GLU A 56 14.832 -0.677 -3.919 1.00 0.00 C ATOM 863 CD GLU A 56 15.287 0.619 -4.584 1.00 0.00 C ATOM 864 OE1 GLU A 56 16.084 0.542 -5.505 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.831 1.669 -4.162 1.00 0.00 O ATOM 0 H GLU A 56 14.106 -3.697 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 56 13.064 -2.068 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.962 -1.685 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.932 -0.450 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.561 -0.489 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.648 -1.400 -3.910 1.00 0.00 H new ATOM 872 N LEU A 57 11.100 -2.980 -5.282 1.00 0.00 N ATOM 873 CA LEU A 57 9.702 -3.058 -5.702 1.00 0.00 C ATOM 874 C LEU A 57 8.901 -3.982 -4.780 1.00 0.00 C ATOM 875 O LEU A 57 7.703 -3.782 -4.585 1.00 0.00 O ATOM 876 CB LEU A 57 9.595 -3.558 -7.150 1.00 0.00 C ATOM 877 CG LEU A 57 10.073 -4.996 -7.406 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.919 -5.978 -7.170 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.549 -5.119 -8.856 1.00 0.00 C ATOM 0 H LEU A 57 11.758 -3.457 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 57 9.285 -2.053 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.554 -3.482 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.170 -2.887 -7.788 1.00 0.00 H new ATOM 0 HG LEU A 57 10.891 -5.230 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.264 -6.996 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.573 -5.892 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.099 -5.745 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.889 -6.138 -9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.726 -4.882 -9.530 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.371 -4.425 -9.029 1.00 0.00 H new ATOM 891 N GLN A 58 9.574 -4.996 -4.217 1.00 0.00 N ATOM 892 CA GLN A 58 8.905 -5.945 -3.319 1.00 0.00 C ATOM 893 C GLN A 58 8.343 -5.234 -2.088 1.00 0.00 C ATOM 894 O GLN A 58 7.164 -5.381 -1.768 1.00 0.00 O ATOM 895 CB GLN A 58 9.871 -7.047 -2.866 1.00 0.00 C ATOM 896 CG GLN A 58 9.508 -8.366 -3.557 1.00 0.00 C ATOM 897 CD GLN A 58 8.129 -8.832 -3.090 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.995 -9.412 -2.013 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.086 -8.607 -3.845 1.00 0.00 N ATOM 0 H GLN A 58 10.567 -5.178 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 58 8.084 -6.395 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.896 -6.768 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.821 -7.166 -1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.510 -8.233 -4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.256 -9.125 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.197 -8.126 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.161 -8.912 -3.541 1.00 0.00 H new ATOM 908 N GLU A 59 9.194 -4.459 -1.403 1.00 0.00 N ATOM 909 CA GLU A 59 8.760 -3.727 -0.206 1.00 0.00 C ATOM 910 C GLU A 59 7.603 -2.772 -0.532 1.00 0.00 C ATOM 911 O GLU A 59 6.734 -2.532 0.307 1.00 0.00 O ATOM 912 CB GLU A 59 9.926 -2.936 0.404 1.00 0.00 C ATOM 913 CG GLU A 59 10.467 -1.918 -0.606 1.00 0.00 C ATOM 914 CD GLU A 59 11.269 -0.844 0.123 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.656 0.077 0.639 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.483 -0.956 0.151 1.00 0.00 O ATOM 0 H GLU A 59 10.174 -4.323 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 59 8.413 -4.463 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.593 -2.422 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.721 -3.620 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.097 -2.420 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.642 -1.461 -1.153 1.00 0.00 H new ATOM 923 N MET A 60 7.593 -2.248 -1.765 1.00 0.00 N ATOM 924 CA MET A 60 6.525 -1.340 -2.195 1.00 0.00 C ATOM 925 C MET A 60 5.218 -2.114 -2.329 1.00 0.00 C ATOM 926 O MET A 60 4.159 -1.650 -1.905 1.00 0.00 O ATOM 927 CB MET A 60 6.858 -0.696 -3.547 1.00 0.00 C ATOM 928 CG MET A 60 8.206 0.023 -3.462 1.00 0.00 C ATOM 929 SD MET A 60 7.935 1.795 -3.211 1.00 0.00 S ATOM 930 CE MET A 60 9.569 2.353 -3.755 1.00 0.00 C ATOM 0 H MET A 60 8.303 -2.435 -2.473 1.00 0.00 H new ATOM 0 HA MET A 60 6.427 -0.555 -1.445 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.891 -1.459 -4.325 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.076 0.010 -3.826 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.796 -0.385 -2.641 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.776 -0.142 -4.376 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.626 3.439 -3.682 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.335 1.906 -3.122 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.731 2.050 -4.789 1.00 0.00 H new ATOM 940 N ILE A 61 5.322 -3.309 -2.913 1.00 0.00 N ATOM 941 CA ILE A 61 4.158 -4.177 -3.100 1.00 0.00 C ATOM 942 C ILE A 61 3.597 -4.597 -1.743 1.00 0.00 C ATOM 943 O ILE A 61 2.401 -4.494 -1.503 1.00 0.00 O ATOM 944 CB ILE A 61 4.534 -5.432 -3.900 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.991 -5.023 -5.303 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.320 -6.362 -4.016 1.00 0.00 C ATOM 947 CD1 ILE A 61 6.012 -6.035 -5.823 1.00 0.00 C ATOM 0 H ILE A 61 6.198 -3.697 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 61 3.405 -3.617 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 61 5.340 -5.955 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.135 -4.976 -5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.432 -4.026 -5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.595 -7.250 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.991 -6.657 -3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.510 -5.841 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.337 -5.744 -6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.872 -6.060 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.556 -7.024 -5.864 1.00 0.00 H new ATOM 959 N ASP A 62 4.481 -5.067 -0.859 1.00 0.00 N ATOM 960 CA ASP A 62 4.063 -5.495 0.481 1.00 0.00 C ATOM 961 C ASP A 62 3.265 -4.392 1.190 1.00 0.00 C ATOM 962 O ASP A 62 2.357 -4.678 1.972 1.00 0.00 O ATOM 963 CB ASP A 62 5.284 -5.856 1.335 1.00 0.00 C ATOM 964 CG ASP A 62 5.755 -7.266 0.985 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.185 -8.208 1.511 1.00 0.00 O ATOM 966 OD2 ASP A 62 6.679 -7.383 0.196 1.00 0.00 O ATOM 0 H ASP A 62 5.480 -5.161 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 62 3.427 -6.372 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.087 -5.140 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.030 -5.799 2.393 1.00 0.00 H new ATOM 971 N GLU A 63 3.614 -3.131 0.905 1.00 0.00 N ATOM 972 CA GLU A 63 2.925 -1.990 1.516 1.00 0.00 C ATOM 973 C GLU A 63 1.556 -1.755 0.868 1.00 0.00 C ATOM 974 O GLU A 63 0.531 -1.750 1.550 1.00 0.00 O ATOM 975 CB GLU A 63 3.762 -0.713 1.368 1.00 0.00 C ATOM 976 CG GLU A 63 4.780 -0.623 2.508 1.00 0.00 C ATOM 977 CD GLU A 63 5.663 0.604 2.302 1.00 0.00 C ATOM 978 OE1 GLU A 63 5.277 1.673 2.751 1.00 0.00 O ATOM 979 OE2 GLU A 63 6.713 0.459 1.695 1.00 0.00 O ATOM 0 H GLU A 63 4.363 -2.877 0.261 1.00 0.00 H new ATOM 0 HA GLU A 63 2.787 -2.224 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.277 -0.715 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.112 0.162 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.265 -0.557 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.392 -1.525 2.536 1.00 0.00 H new ATOM 986 N VAL A 64 1.557 -1.545 -0.456 1.00 0.00 N ATOM 987 CA VAL A 64 0.310 -1.288 -1.191 1.00 0.00 C ATOM 988 C VAL A 64 -0.628 -2.504 -1.158 1.00 0.00 C ATOM 989 O VAL A 64 -1.841 -2.355 -0.994 1.00 0.00 O ATOM 990 CB VAL A 64 0.609 -0.900 -2.652 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.332 -2.043 -3.373 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.700 -0.587 -3.382 1.00 0.00 C ATOM 0 H VAL A 64 2.397 -1.548 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.192 -0.457 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 64 1.250 -0.019 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.535 -1.752 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.272 -2.257 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.704 -2.934 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.484 -0.313 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.344 -1.466 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.205 0.241 -2.885 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.058 -3.704 -1.310 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.854 -4.931 -1.291 1.00 0.00 C ATOM 1004 C ASP A 65 -1.313 -5.237 0.133 1.00 0.00 C ATOM 1005 O ASP A 65 -0.547 -5.752 0.953 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.040 -6.117 -1.832 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.869 -6.893 -2.852 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.727 -7.652 -2.437 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.632 -6.717 -4.035 1.00 0.00 O ATOM 0 H ASP A 65 0.942 -3.849 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.724 -4.781 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.879 -5.758 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.252 -6.773 -1.012 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.573 -4.901 0.417 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.147 -5.129 1.750 1.00 0.00 C ATOM 1016 C GLU A 66 -3.177 -6.621 2.094 1.00 0.00 C ATOM 1017 O GLU A 66 -3.014 -7.003 3.255 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.573 -4.566 1.835 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.432 -5.112 0.688 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.907 -4.899 1.008 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.423 -3.847 0.663 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.501 -5.789 1.595 1.00 0.00 O ATOM 0 H GLU A 66 -3.214 -4.473 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.510 -4.612 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.020 -4.834 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.544 -3.477 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.175 -4.608 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.231 -6.173 0.543 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.391 -7.455 1.075 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.444 -8.905 1.277 1.00 0.00 C ATOM 1031 C ASP A 67 -2.067 -9.541 1.060 1.00 0.00 C ATOM 1032 O ASP A 67 -1.710 -10.507 1.736 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.471 -9.554 0.331 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.267 -9.065 -1.105 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.713 -7.971 -1.413 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.675 -9.794 -1.874 1.00 0.00 O ATOM 0 H ASP A 67 -3.529 -7.156 0.110 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.753 -9.082 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.373 -10.639 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.481 -9.314 0.662 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.300 -8.990 0.114 1.00 0.00 N ATOM 1042 CA GLY A 68 0.036 -9.512 -0.183 1.00 0.00 C ATOM 1043 C GLY A 68 -0.055 -10.856 -0.897 1.00 0.00 C ATOM 1044 O GLY A 68 0.610 -11.822 -0.520 1.00 0.00 O ATOM 0 H GLY A 68 -1.579 -8.190 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.579 -8.801 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.602 -9.624 0.742 1.00 0.00 H new ATOM 1048 N SER A 69 -0.895 -10.905 -1.932 1.00 0.00 N ATOM 1049 CA SER A 69 -1.087 -12.136 -2.705 1.00 0.00 C ATOM 1050 C SER A 69 -0.034 -12.294 -3.814 1.00 0.00 C ATOM 1051 O SER A 69 -0.053 -13.282 -4.553 1.00 0.00 O ATOM 1052 CB SER A 69 -2.475 -12.145 -3.353 1.00 0.00 C ATOM 1053 OG SER A 69 -2.633 -10.969 -4.144 1.00 0.00 O ATOM 0 H SER A 69 -1.451 -10.113 -2.254 1.00 0.00 H new ATOM 0 HA SER A 69 -0.985 -12.965 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.594 -13.033 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.247 -12.187 -2.585 1.00 0.00 H new ATOM 0 HG SER A 69 -3.027 -10.257 -3.597 1.00 0.00 H new ATOM 1059 N GLY A 70 0.867 -11.312 -3.946 1.00 0.00 N ATOM 1060 CA GLY A 70 1.889 -11.365 -4.991 1.00 0.00 C ATOM 1061 C GLY A 70 1.301 -10.929 -6.335 1.00 0.00 C ATOM 1062 O GLY A 70 1.836 -11.260 -7.396 1.00 0.00 O ATOM 0 H GLY A 70 0.907 -10.485 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.724 -10.717 -4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.284 -12.378 -5.071 1.00 0.00 H new ATOM 1066 N THR A 71 0.189 -10.180 -6.276 1.00 0.00 N ATOM 1067 CA THR A 71 -0.478 -9.696 -7.485 1.00 0.00 C ATOM 1068 C THR A 71 -1.097 -8.322 -7.223 1.00 0.00 C ATOM 1069 O THR A 71 -1.858 -8.142 -6.268 1.00 0.00 O ATOM 1070 CB THR A 71 -1.581 -10.671 -7.927 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.636 -10.666 -6.973 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.009 -12.086 -8.041 1.00 0.00 C ATOM 0 H THR A 71 -0.262 -9.900 -5.405 1.00 0.00 H new ATOM 0 HA THR A 71 0.266 -9.621 -8.278 1.00 0.00 H new ATOM 0 HB THR A 71 -1.965 -10.356 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.268 -10.817 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.796 -12.772 -8.355 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.205 -12.095 -8.777 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.619 -12.400 -7.073 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.759 -7.355 -8.080 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.291 -5.999 -7.925 1.00 0.00 C ATOM 1082 C VAL A 72 -2.612 -5.858 -8.674 1.00 0.00 C ATOM 1083 O VAL A 72 -2.658 -5.950 -9.900 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.318 -4.941 -8.468 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.693 -3.569 -7.901 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.119 -5.276 -8.061 1.00 0.00 C ATOM 0 H VAL A 72 -0.131 -7.481 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.437 -5.836 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.385 -4.928 -9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.004 -2.816 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.710 -3.317 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.632 -3.596 -6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.795 -4.516 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.193 -5.300 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.394 -6.250 -8.465 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.677 -5.602 -7.921 1.00 0.00 N ATOM 1097 CA ASP A 73 -4.998 -5.411 -8.521 1.00 0.00 C ATOM 1098 C ASP A 73 -5.088 -3.981 -9.042 1.00 0.00 C ATOM 1099 O ASP A 73 -4.259 -3.145 -8.692 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.104 -5.648 -7.486 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.152 -7.128 -7.113 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.331 -7.547 -6.311 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.011 -7.822 -7.632 1.00 0.00 O ATOM 0 H ASP A 73 -3.655 -5.522 -6.904 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.132 -6.125 -9.334 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.919 -5.045 -6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.066 -5.333 -7.890 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.085 -3.695 -9.881 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.221 -2.339 -10.419 1.00 0.00 C ATOM 1110 C PHE A 74 -6.372 -1.320 -9.285 1.00 0.00 C ATOM 1111 O PHE A 74 -5.888 -0.191 -9.387 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.414 -2.227 -11.374 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.274 -0.969 -12.194 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.050 -0.666 -12.802 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.363 -0.105 -12.342 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.917 0.501 -13.556 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.228 1.064 -13.098 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.005 1.367 -13.705 1.00 0.00 C ATOM 0 H PHE A 74 -6.791 -4.361 -10.196 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.312 -2.122 -10.980 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.456 -3.099 -12.027 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.346 -2.206 -10.810 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.210 -1.335 -12.688 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.307 -0.340 -11.873 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.973 0.736 -14.025 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.068 1.733 -13.213 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.901 2.270 -14.289 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.024 -1.739 -8.194 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.205 -0.863 -7.034 1.00 0.00 C ATOM 1130 C ASP A 75 -5.851 -0.593 -6.372 1.00 0.00 C ATOM 1131 O ASP A 75 -5.546 0.540 -5.997 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.144 -1.507 -6.006 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.533 -1.681 -6.617 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.303 -0.736 -6.569 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.804 -2.758 -7.124 1.00 0.00 O ATOM 0 H ASP A 75 -7.430 -2.669 -8.091 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.645 0.073 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.749 -2.474 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.204 -0.884 -5.113 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.041 -1.652 -6.252 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.707 -1.539 -5.653 1.00 0.00 C ATOM 1142 C GLU A 76 -2.740 -0.844 -6.621 1.00 0.00 C ATOM 1143 O GLU A 76 -1.798 -0.170 -6.202 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.154 -2.928 -5.302 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.152 -3.672 -4.401 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.668 -5.100 -4.135 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.269 -5.764 -5.079 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.717 -5.515 -2.990 1.00 0.00 O ATOM 0 H GLU A 76 -5.285 -2.593 -6.561 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.798 -0.946 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.976 -3.500 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.194 -2.830 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.268 -3.139 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.133 -3.696 -4.876 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.994 -1.019 -7.924 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.164 -0.419 -8.970 1.00 0.00 C ATOM 1157 C PHE A 77 -2.240 1.108 -8.905 1.00 0.00 C ATOM 1158 O PHE A 77 -1.217 1.792 -8.858 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.651 -0.888 -10.351 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.517 -0.986 -11.351 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.172 -1.051 -10.939 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.826 -1.021 -12.715 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.844 -1.147 -11.893 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.808 -1.118 -13.664 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.527 -1.180 -13.256 1.00 0.00 C ATOM 0 H PHE A 77 -3.773 -1.575 -8.278 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.132 -0.732 -8.814 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.133 -1.861 -10.254 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.404 -0.194 -10.724 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.074 -1.027 -9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.857 -0.973 -13.035 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.876 -1.196 -11.578 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.052 -1.145 -14.716 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.314 -1.253 -13.992 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.474 1.628 -8.899 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.693 3.077 -8.835 1.00 0.00 C ATOM 1177 C LEU A 78 -3.321 3.622 -7.452 1.00 0.00 C ATOM 1178 O LEU A 78 -2.857 4.756 -7.329 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.161 3.412 -9.131 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.510 3.595 -10.616 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.917 2.450 -11.437 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.031 3.604 -10.781 1.00 0.00 C ATOM 0 H LEU A 78 -4.328 1.072 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.056 3.544 -9.586 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.786 2.617 -8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.421 4.327 -8.599 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.095 4.539 -10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.169 2.588 -12.488 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.833 2.443 -11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.325 1.502 -11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.282 3.734 -11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.441 2.659 -10.424 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.455 4.425 -10.203 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.519 2.795 -6.416 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.189 3.195 -5.045 1.00 0.00 C ATOM 1196 C VAL A 79 -1.689 3.494 -4.933 1.00 0.00 C ATOM 1197 O VAL A 79 -1.290 4.505 -4.361 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.589 2.081 -4.058 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.619 2.031 -2.873 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.004 2.350 -3.541 1.00 0.00 C ATOM 0 H VAL A 79 -3.903 1.854 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.746 4.098 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.554 1.124 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.921 1.238 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.611 1.833 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.635 2.987 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.292 1.564 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.029 3.314 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.701 2.363 -4.379 1.00 0.00 H new ATOM 1210 N MET A 80 -0.870 2.598 -5.496 1.00 0.00 N ATOM 1211 CA MET A 80 0.590 2.760 -5.474 1.00 0.00 C ATOM 1212 C MET A 80 1.013 4.162 -5.941 1.00 0.00 C ATOM 1213 O MET A 80 2.061 4.668 -5.534 1.00 0.00 O ATOM 1214 CB MET A 80 1.252 1.720 -6.385 1.00 0.00 C ATOM 1215 CG MET A 80 2.387 1.023 -5.632 1.00 0.00 C ATOM 1216 SD MET A 80 3.374 0.047 -6.796 1.00 0.00 S ATOM 1217 CE MET A 80 2.340 -1.439 -6.788 1.00 0.00 C ATOM 0 H MET A 80 -1.192 1.755 -5.972 1.00 0.00 H new ATOM 0 HA MET A 80 0.914 2.621 -4.443 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.515 0.986 -6.711 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.640 2.203 -7.282 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.016 1.762 -5.136 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.979 0.378 -4.854 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.197 -1.788 -7.811 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.828 -2.219 -6.203 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.372 -1.206 -6.345 1.00 0.00 H new ATOM 1227 N MET A 81 0.185 4.783 -6.792 1.00 0.00 N ATOM 1228 CA MET A 81 0.478 6.124 -7.306 1.00 0.00 C ATOM 1229 C MET A 81 0.488 7.146 -6.166 1.00 0.00 C ATOM 1230 O MET A 81 1.458 7.886 -5.989 1.00 0.00 O ATOM 1231 CB MET A 81 -0.576 6.535 -8.340 1.00 0.00 C ATOM 1232 CG MET A 81 -0.018 7.631 -9.253 1.00 0.00 C ATOM 1233 SD MET A 81 -1.353 8.762 -9.724 1.00 0.00 S ATOM 1234 CE MET A 81 -2.419 7.545 -10.539 1.00 0.00 C ATOM 0 H MET A 81 -0.687 4.380 -7.136 1.00 0.00 H new ATOM 0 HA MET A 81 1.461 6.101 -7.775 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.870 5.670 -8.935 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.472 6.894 -7.834 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.773 8.178 -8.740 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.427 7.186 -10.143 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.416 7.966 -10.673 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.000 7.288 -11.512 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.484 6.648 -9.923 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.604 7.173 -5.396 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.722 8.103 -4.266 1.00 0.00 C ATOM 1246 C VAL A 82 0.212 7.700 -3.122 1.00 0.00 C ATOM 1247 O VAL A 82 0.691 8.552 -2.374 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.162 8.152 -3.739 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.094 8.668 -4.837 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.610 6.753 -3.309 1.00 0.00 C ATOM 0 H VAL A 82 -1.413 6.567 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.439 9.090 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.202 8.822 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.116 8.702 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.784 9.669 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.046 8.001 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.633 6.797 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.564 6.078 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.952 6.387 -2.521 1.00 0.00 H new ATOM 1260 N ARG A 83 0.465 6.390 -2.996 1.00 0.00 N ATOM 1261 CA ARG A 83 1.348 5.879 -1.942 1.00 0.00 C ATOM 1262 C ARG A 83 2.722 6.543 -2.032 1.00 0.00 C ATOM 1263 O ARG A 83 3.321 6.894 -1.014 1.00 0.00 O ATOM 1264 CB ARG A 83 1.520 4.360 -2.062 1.00 0.00 C ATOM 1265 CG ARG A 83 0.162 3.668 -1.906 1.00 0.00 C ATOM 1266 CD ARG A 83 0.216 2.668 -0.749 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.961 2.809 0.113 1.00 0.00 N ATOM 1268 CZ ARG A 83 -1.129 2.053 1.205 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -0.240 1.146 1.536 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -2.191 2.222 1.951 1.00 0.00 N ATOM 0 H ARG A 83 0.074 5.672 -3.606 1.00 0.00 H new ATOM 0 HA ARG A 83 0.889 6.112 -0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.957 4.110 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.210 4.002 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.615 4.410 -1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.102 3.154 -2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.266 1.652 -1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.122 2.829 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.671 3.501 -0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.590 1.011 0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.379 0.576 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.884 2.926 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.325 1.649 2.784 1.00 0.00 H new