USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 673 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 93 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 MET CE :methyl 139:sc= -0.0104 (180deg=-0.384) USER MOD Set 2.1: A 27 TYR OH : rot 56:sc= 0.0811 USER MOD Set 2.2: A 30 GLN : amide:sc= 0.185 K(o=-1.7,f=-2.7) USER MOD Set 2.3: A 32 MET CE :methyl -172:sc= -0.0186 (180deg=-0.0808) USER MOD Set 2.4: A 80 GLN : amide:sc= -1.99! C(o=-1.7!,f=-3.1!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.178 K(o=0.18,f=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= -0.198 (180deg=-0.245) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -109:sc= 1.18 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -154:sc= -0.445 (180deg=-1.91) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -2.88! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.184) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= -0.0038 (180deg=-0.0903) USER MOD Single : A 65 MET CE :methyl -120:sc= -2.16! (180deg=-3.97!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.808 F(o=-3.5!,f=-0.81) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.00754) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 10.613 10.237 -13.781 1.00 0.00 N ATOM 75 CA LYS A 6 9.562 10.010 -12.765 1.00 0.00 C ATOM 76 C LYS A 6 9.464 8.499 -12.539 1.00 0.00 C ATOM 77 O LYS A 6 9.947 7.983 -11.549 1.00 0.00 O ATOM 78 CB LYS A 6 8.200 10.558 -13.247 1.00 0.00 C ATOM 79 CG LYS A 6 8.389 11.781 -14.157 1.00 0.00 C ATOM 80 CD LYS A 6 8.547 13.045 -13.304 1.00 0.00 C ATOM 81 CE LYS A 6 9.233 14.139 -14.129 1.00 0.00 C ATOM 82 NZ LYS A 6 8.366 15.351 -14.170 1.00 0.00 N ATOM 0 HA LYS A 6 9.817 10.530 -11.841 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.661 9.779 -13.786 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.589 10.831 -12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.268 11.644 -14.787 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.533 11.886 -14.823 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.571 13.390 -12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.136 12.824 -12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.200 14.386 -13.692 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.423 13.781 -15.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.833 16.093 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.453 15.110 -14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.207 15.697 -13.202 1.00 0.00 H new ATOM 96 N LEU A 7 8.870 7.783 -13.468 1.00 0.00 N ATOM 97 CA LEU A 7 8.755 6.303 -13.326 1.00 0.00 C ATOM 98 C LEU A 7 10.161 5.682 -13.332 1.00 0.00 C ATOM 99 O LEU A 7 10.734 5.428 -14.378 1.00 0.00 O ATOM 100 CB LEU A 7 7.928 5.738 -14.489 1.00 0.00 C ATOM 101 CG LEU A 7 6.435 5.943 -14.210 1.00 0.00 C ATOM 102 CD1 LEU A 7 5.642 5.738 -15.503 1.00 0.00 C ATOM 103 CD2 LEU A 7 5.962 4.934 -13.159 1.00 0.00 C ATOM 0 H LEU A 7 8.460 8.167 -14.320 1.00 0.00 H new ATOM 0 HA LEU A 7 8.258 6.061 -12.386 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.205 6.234 -15.419 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.141 4.677 -14.617 1.00 0.00 H new ATOM 0 HG LEU A 7 6.274 6.955 -13.838 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.580 5.884 -15.305 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.974 6.458 -16.251 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.807 4.726 -15.874 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.900 5.083 -12.963 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.124 3.921 -13.528 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.525 5.079 -12.237 1.00 0.00 H new ATOM 115 N HIS A 8 10.714 5.441 -12.165 1.00 0.00 N ATOM 116 CA HIS A 8 12.077 4.838 -12.078 1.00 0.00 C ATOM 117 C HIS A 8 12.040 3.606 -11.169 1.00 0.00 C ATOM 118 O HIS A 8 11.504 3.636 -10.075 1.00 0.00 O ATOM 119 CB HIS A 8 13.059 5.860 -11.510 1.00 0.00 C ATOM 120 CG HIS A 8 14.470 5.396 -11.753 1.00 0.00 C ATOM 121 ND1 HIS A 8 15.134 4.556 -10.874 1.00 0.00 N ATOM 122 CD2 HIS A 8 15.355 5.646 -12.772 1.00 0.00 C ATOM 123 CE1 HIS A 8 16.361 4.331 -11.376 1.00 0.00 C ATOM 124 NE2 HIS A 8 16.549 4.971 -12.533 1.00 0.00 N ATOM 0 H HIS A 8 10.274 5.639 -11.266 1.00 0.00 H new ATOM 0 HA HIS A 8 12.400 4.542 -13.076 1.00 0.00 H new ATOM 0 HB2 HIS A 8 12.899 6.831 -11.978 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.887 5.989 -10.441 1.00 0.00 H new ATOM 0 HD1 HIS A 8 14.760 4.177 -10.004 1.00 0.00 H new ATOM 0 HD2 HIS A 8 15.155 6.272 -13.629 1.00 0.00 H new ATOM 0 HE1 HIS A 8 17.104 3.708 -10.901 1.00 0.00 H new ATOM 132 N LYS A 9 12.613 2.529 -11.631 1.00 0.00 N ATOM 133 CA LYS A 9 12.640 1.260 -10.837 1.00 0.00 C ATOM 134 C LYS A 9 13.481 1.444 -9.567 1.00 0.00 C ATOM 135 O LYS A 9 14.555 2.019 -9.596 1.00 0.00 O ATOM 136 CB LYS A 9 13.249 0.144 -11.694 1.00 0.00 C ATOM 137 CG LYS A 9 12.254 -0.263 -12.784 1.00 0.00 C ATOM 138 CD LYS A 9 12.670 -1.608 -13.385 1.00 0.00 C ATOM 139 CE LYS A 9 11.454 -2.282 -14.025 1.00 0.00 C ATOM 140 NZ LYS A 9 11.578 -3.762 -13.901 1.00 0.00 N ATOM 0 H LYS A 9 13.072 2.470 -12.540 1.00 0.00 H new ATOM 0 HA LYS A 9 11.622 0.997 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.180 0.485 -12.146 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.493 -0.716 -11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.250 -0.336 -12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.220 0.499 -13.562 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.450 -1.459 -14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.089 -2.250 -12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.540 -1.942 -13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.381 -2.000 -15.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.805 -4.220 -14.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.491 -4.068 -14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.525 -4.032 -12.898 1.00 0.00 H new ATOM 154 N GLU A 10 12.990 0.949 -8.455 1.00 0.00 N ATOM 155 CA GLU A 10 13.730 1.068 -7.161 1.00 0.00 C ATOM 156 C GLU A 10 13.270 -0.066 -6.239 1.00 0.00 C ATOM 157 O GLU A 10 12.131 -0.072 -5.809 1.00 0.00 O ATOM 158 CB GLU A 10 13.405 2.417 -6.505 1.00 0.00 C ATOM 159 CG GLU A 10 14.490 3.442 -6.850 1.00 0.00 C ATOM 160 CD GLU A 10 13.836 4.789 -7.181 1.00 0.00 C ATOM 161 OE1 GLU A 10 13.472 4.983 -8.329 1.00 0.00 O ATOM 162 OE2 GLU A 10 13.711 5.603 -6.280 1.00 0.00 O ATOM 0 H GLU A 10 12.096 0.462 -8.390 1.00 0.00 H new ATOM 0 HA GLU A 10 14.804 1.005 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.434 2.773 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.336 2.298 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.177 3.556 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.078 3.093 -7.699 1.00 0.00 H new ATOM 169 N PRO A 11 14.160 -1.002 -5.968 1.00 0.00 N ATOM 170 CA PRO A 11 13.850 -2.161 -5.106 1.00 0.00 C ATOM 171 C PRO A 11 13.158 -1.720 -3.813 1.00 0.00 C ATOM 172 O PRO A 11 13.479 -0.695 -3.235 1.00 0.00 O ATOM 173 CB PRO A 11 15.202 -2.815 -4.829 1.00 0.00 C ATOM 174 CG PRO A 11 16.206 -2.211 -5.833 1.00 0.00 C ATOM 175 CD PRO A 11 15.540 -0.984 -6.482 1.00 0.00 C ATOM 0 HA PRO A 11 13.157 -2.855 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.520 -2.626 -3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.140 -3.897 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.127 -1.923 -5.326 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.476 -2.945 -6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.054 -0.062 -6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.560 -1.050 -7.570 1.00 0.00 H new ATOM 183 N ALA A 12 12.193 -2.489 -3.378 1.00 0.00 N ATOM 184 CA ALA A 12 11.434 -2.138 -2.139 1.00 0.00 C ATOM 185 C ALA A 12 11.603 -3.237 -1.079 1.00 0.00 C ATOM 186 O ALA A 12 12.528 -4.030 -1.128 1.00 0.00 O ATOM 187 CB ALA A 12 9.950 -1.989 -2.487 1.00 0.00 C ATOM 0 H ALA A 12 11.896 -3.353 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 12 11.820 -1.201 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.389 -1.733 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.828 -1.199 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.575 -2.929 -2.893 1.00 0.00 H new ATOM 193 N THR A 13 10.706 -3.279 -0.121 1.00 0.00 N ATOM 194 CA THR A 13 10.773 -4.300 0.957 1.00 0.00 C ATOM 195 C THR A 13 9.379 -4.392 1.577 1.00 0.00 C ATOM 196 O THR A 13 8.982 -3.542 2.356 1.00 0.00 O ATOM 197 CB THR A 13 11.818 -3.875 2.009 1.00 0.00 C ATOM 198 OG1 THR A 13 11.590 -4.572 3.229 1.00 0.00 O ATOM 199 CG2 THR A 13 11.724 -2.364 2.251 1.00 0.00 C ATOM 0 H THR A 13 9.919 -2.634 -0.046 1.00 0.00 H new ATOM 0 HA THR A 13 11.074 -5.272 0.567 1.00 0.00 H new ATOM 0 HB THR A 13 12.814 -4.119 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.258 -4.298 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.464 -2.068 2.995 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.915 -1.834 1.318 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.726 -2.115 2.612 1.00 0.00 H new ATOM 207 N LEU A 14 8.624 -5.398 1.203 1.00 0.00 N ATOM 208 CA LEU A 14 7.234 -5.546 1.732 1.00 0.00 C ATOM 209 C LEU A 14 7.208 -5.300 3.239 1.00 0.00 C ATOM 210 O LEU A 14 7.930 -5.927 3.998 1.00 0.00 O ATOM 211 CB LEU A 14 6.704 -6.953 1.437 1.00 0.00 C ATOM 212 CG LEU A 14 7.464 -7.997 2.266 1.00 0.00 C ATOM 213 CD1 LEU A 14 6.648 -8.358 3.512 1.00 0.00 C ATOM 214 CD2 LEU A 14 7.687 -9.252 1.423 1.00 0.00 C ATOM 0 H LEU A 14 8.914 -6.126 0.550 1.00 0.00 H new ATOM 0 HA LEU A 14 6.599 -4.809 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.639 -7.003 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.812 -7.174 0.375 1.00 0.00 H new ATOM 0 HG LEU A 14 8.427 -7.586 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.190 -9.100 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.489 -7.464 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.684 -8.768 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.227 -9.994 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.724 -9.661 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.270 -8.997 0.538 1.00 0.00 H new ATOM 226 N ILE A 15 6.382 -4.390 3.682 1.00 0.00 N ATOM 227 CA ILE A 15 6.309 -4.118 5.144 1.00 0.00 C ATOM 228 C ILE A 15 5.060 -4.796 5.712 1.00 0.00 C ATOM 229 O ILE A 15 5.150 -5.686 6.537 1.00 0.00 O ATOM 230 CB ILE A 15 6.236 -2.608 5.422 1.00 0.00 C ATOM 231 CG1 ILE A 15 7.250 -1.854 4.556 1.00 0.00 C ATOM 232 CG2 ILE A 15 6.542 -2.346 6.899 1.00 0.00 C ATOM 233 CD1 ILE A 15 6.702 -0.460 4.238 1.00 0.00 C ATOM 0 H ILE A 15 5.761 -3.829 3.100 1.00 0.00 H new ATOM 0 HA ILE A 15 7.208 -4.512 5.618 1.00 0.00 H new ATOM 0 HB ILE A 15 5.233 -2.256 5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.203 -1.773 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.438 -2.403 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.490 -1.275 7.097 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.812 -2.865 7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.542 -2.711 7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.420 0.081 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.759 -0.554 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.536 0.086 5.167 1.00 0.00 H new ATOM 245 N LYS A 16 3.899 -4.375 5.270 1.00 0.00 N ATOM 246 CA LYS A 16 2.630 -4.979 5.768 1.00 0.00 C ATOM 247 C LYS A 16 1.516 -4.701 4.759 1.00 0.00 C ATOM 248 O LYS A 16 0.930 -3.633 4.749 1.00 0.00 O ATOM 249 CB LYS A 16 2.263 -4.353 7.119 1.00 0.00 C ATOM 250 CG LYS A 16 2.539 -5.355 8.244 1.00 0.00 C ATOM 251 CD LYS A 16 1.533 -5.143 9.380 1.00 0.00 C ATOM 252 CE LYS A 16 0.823 -6.465 9.692 1.00 0.00 C ATOM 253 NZ LYS A 16 -0.323 -6.652 8.756 1.00 0.00 N ATOM 0 H LYS A 16 3.779 -3.633 4.580 1.00 0.00 H new ATOM 0 HA LYS A 16 2.757 -6.055 5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.842 -3.444 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.211 -4.066 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.464 -6.374 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.555 -5.228 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.045 -4.775 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.803 -4.385 9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.522 -7.296 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.467 -6.464 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.803 -7.550 8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.994 -5.865 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.028 -6.672 7.777 1.00 0.00 H new ATOM 267 N ALA A 17 1.219 -5.655 3.907 1.00 0.00 N ATOM 268 CA ALA A 17 0.139 -5.452 2.895 1.00 0.00 C ATOM 269 C ALA A 17 -1.154 -5.072 3.614 1.00 0.00 C ATOM 270 O ALA A 17 -1.743 -5.865 4.325 1.00 0.00 O ATOM 271 CB ALA A 17 -0.072 -6.738 2.093 1.00 0.00 C ATOM 0 H ALA A 17 1.679 -6.564 3.871 1.00 0.00 H new ATOM 0 HA ALA A 17 0.426 -4.654 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.861 -6.583 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.853 -7.004 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.359 -7.545 2.768 1.00 0.00 H new ATOM 277 N ILE A 18 -1.584 -3.850 3.431 1.00 0.00 N ATOM 278 CA ILE A 18 -2.833 -3.364 4.086 1.00 0.00 C ATOM 279 C ILE A 18 -4.020 -4.237 3.645 1.00 0.00 C ATOM 280 O ILE A 18 -4.966 -4.421 4.388 1.00 0.00 O ATOM 281 CB ILE A 18 -3.055 -1.906 3.663 1.00 0.00 C ATOM 282 CG1 ILE A 18 -2.136 -0.991 4.482 1.00 0.00 C ATOM 283 CG2 ILE A 18 -4.515 -1.498 3.892 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.483 0.041 3.558 1.00 0.00 C ATOM 0 H ILE A 18 -1.114 -3.159 2.846 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.747 -3.426 5.171 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.824 -1.809 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.708 -0.486 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.369 -1.582 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.655 -0.461 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.169 -2.141 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.760 -1.601 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.830 0.690 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.897 -0.472 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.256 0.641 3.078 1.00 0.00 H new ATOM 296 N ASP A 19 -3.965 -4.771 2.440 1.00 0.00 N ATOM 297 CA ASP A 19 -5.068 -5.639 1.911 1.00 0.00 C ATOM 298 C ASP A 19 -6.300 -4.782 1.612 1.00 0.00 C ATOM 299 O ASP A 19 -6.843 -4.129 2.487 1.00 0.00 O ATOM 300 CB ASP A 19 -5.442 -6.740 2.921 1.00 0.00 C ATOM 301 CG ASP A 19 -4.183 -7.443 3.448 1.00 0.00 C ATOM 302 OD1 ASP A 19 -3.427 -7.963 2.641 1.00 0.00 O ATOM 303 OD2 ASP A 19 -4.002 -7.457 4.655 1.00 0.00 O ATOM 0 H ASP A 19 -3.188 -4.637 1.793 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.716 -6.116 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.996 -6.305 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.099 -7.468 2.446 1.00 0.00 H new ATOM 308 N GLY A 20 -6.747 -4.785 0.380 1.00 0.00 N ATOM 309 CA GLY A 20 -7.948 -3.978 0.014 1.00 0.00 C ATOM 310 C GLY A 20 -7.620 -3.044 -1.153 1.00 0.00 C ATOM 311 O GLY A 20 -7.716 -3.426 -2.303 1.00 0.00 O ATOM 0 H GLY A 20 -6.330 -5.312 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.770 -4.639 -0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.280 -3.396 0.874 1.00 0.00 H new ATOM 315 N ASP A 21 -7.257 -1.816 -0.861 1.00 0.00 N ATOM 316 CA ASP A 21 -6.951 -0.837 -1.951 1.00 0.00 C ATOM 317 C ASP A 21 -5.453 -0.525 -2.018 1.00 0.00 C ATOM 318 O ASP A 21 -4.858 -0.564 -3.078 1.00 0.00 O ATOM 319 CB ASP A 21 -7.711 0.467 -1.679 1.00 0.00 C ATOM 320 CG ASP A 21 -9.141 0.355 -2.219 1.00 0.00 C ATOM 321 OD1 ASP A 21 -9.335 0.630 -3.393 1.00 0.00 O ATOM 322 OD2 ASP A 21 -10.019 -0.002 -1.450 1.00 0.00 O ATOM 0 H ASP A 21 -7.160 -1.451 0.086 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.257 -1.277 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.731 0.671 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.198 1.304 -2.153 1.00 0.00 H new ATOM 327 N THR A 22 -4.851 -0.174 -0.907 1.00 0.00 N ATOM 328 CA THR A 22 -3.401 0.191 -0.920 1.00 0.00 C ATOM 329 C THR A 22 -2.542 -0.890 -0.246 1.00 0.00 C ATOM 330 O THR A 22 -3.020 -1.687 0.538 1.00 0.00 O ATOM 331 CB THR A 22 -3.236 1.522 -0.181 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.843 2.560 -0.940 1.00 0.00 O ATOM 333 CG2 THR A 22 -1.754 1.840 0.020 1.00 0.00 C ATOM 0 H THR A 22 -5.301 -0.125 0.007 1.00 0.00 H new ATOM 0 HA THR A 22 -3.065 0.278 -1.953 1.00 0.00 H new ATOM 0 HB THR A 22 -3.715 1.446 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.148 3.141 -1.314 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.654 2.789 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.288 1.048 0.607 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.262 1.910 -0.950 1.00 0.00 H new ATOM 341 N VAL A 23 -1.263 -0.893 -0.553 1.00 0.00 N ATOM 342 CA VAL A 23 -0.316 -1.878 0.053 1.00 0.00 C ATOM 343 C VAL A 23 0.783 -1.111 0.806 1.00 0.00 C ATOM 344 O VAL A 23 1.151 -0.014 0.420 1.00 0.00 O ATOM 345 CB VAL A 23 0.305 -2.752 -1.048 1.00 0.00 C ATOM 346 CG1 VAL A 23 -0.741 -3.748 -1.557 1.00 0.00 C ATOM 347 CG2 VAL A 23 0.775 -1.872 -2.214 1.00 0.00 C ATOM 0 H VAL A 23 -0.832 -0.242 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.850 -2.526 0.748 1.00 0.00 H new ATOM 0 HB VAL A 23 1.159 -3.290 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.302 -4.369 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.072 -4.381 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.594 -3.204 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.214 -2.500 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.075 -1.328 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.521 -1.162 -1.856 1.00 0.00 H new ATOM 357 N LYS A 24 1.298 -1.664 1.885 1.00 0.00 N ATOM 358 CA LYS A 24 2.354 -0.946 2.660 1.00 0.00 C ATOM 359 C LYS A 24 3.726 -1.570 2.385 1.00 0.00 C ATOM 360 O LYS A 24 4.085 -2.586 2.955 1.00 0.00 O ATOM 361 CB LYS A 24 2.035 -1.028 4.157 1.00 0.00 C ATOM 362 CG LYS A 24 2.642 0.179 4.877 1.00 0.00 C ATOM 363 CD LYS A 24 2.401 0.048 6.384 1.00 0.00 C ATOM 364 CE LYS A 24 3.641 0.524 7.146 1.00 0.00 C ATOM 365 NZ LYS A 24 3.419 0.360 8.610 1.00 0.00 N ATOM 0 H LYS A 24 1.031 -2.576 2.256 1.00 0.00 H new ATOM 0 HA LYS A 24 2.376 0.099 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.956 -1.050 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.435 -1.952 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.711 0.238 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.195 1.101 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.533 0.639 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.181 -0.989 6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.515 -0.048 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.845 1.569 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.261 0.683 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.596 0.925 8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.245 -0.643 8.825 1.00 0.00 H new ATOM 379 N LEU A 25 4.498 -0.951 1.527 1.00 0.00 N ATOM 380 CA LEU A 25 5.861 -1.472 1.213 1.00 0.00 C ATOM 381 C LEU A 25 6.849 -0.301 1.187 1.00 0.00 C ATOM 382 O LEU A 25 6.526 0.790 0.748 1.00 0.00 O ATOM 383 CB LEU A 25 5.861 -2.205 -0.140 1.00 0.00 C ATOM 384 CG LEU A 25 5.726 -1.209 -1.297 1.00 0.00 C ATOM 385 CD1 LEU A 25 6.287 -1.837 -2.573 1.00 0.00 C ATOM 386 CD2 LEU A 25 4.252 -0.865 -1.504 1.00 0.00 C ATOM 0 H LEU A 25 4.239 -0.100 1.027 1.00 0.00 H new ATOM 0 HA LEU A 25 6.161 -2.185 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.784 -2.775 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.039 -2.920 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 25 6.281 -0.300 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.192 -1.131 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.338 -2.084 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.731 -2.745 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.156 -0.157 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.696 -1.773 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.851 -0.420 -0.593 1.00 0.00 H new ATOM 398 N MET A 26 8.045 -0.520 1.667 1.00 0.00 N ATOM 399 CA MET A 26 9.060 0.569 1.684 1.00 0.00 C ATOM 400 C MET A 26 9.930 0.450 0.435 1.00 0.00 C ATOM 401 O MET A 26 10.533 -0.576 0.191 1.00 0.00 O ATOM 402 CB MET A 26 9.928 0.434 2.946 1.00 0.00 C ATOM 403 CG MET A 26 11.116 1.397 2.872 1.00 0.00 C ATOM 404 SD MET A 26 11.975 1.422 4.465 1.00 0.00 S ATOM 405 CE MET A 26 13.507 0.634 3.912 1.00 0.00 C ATOM 0 H MET A 26 8.362 -1.411 2.049 1.00 0.00 H new ATOM 0 HA MET A 26 8.569 1.542 1.693 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.331 0.648 3.832 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.286 -0.591 3.043 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.801 1.086 2.083 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.770 2.399 2.618 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.985 0.135 4.755 1.00 0.00 H new ATOM 0 HE2 MET A 26 13.280 -0.099 3.138 1.00 0.00 H new ATOM 0 HE3 MET A 26 14.180 1.390 3.509 1.00 0.00 H new ATOM 415 N TYR A 27 10.008 1.493 -0.356 1.00 0.00 N ATOM 416 CA TYR A 27 10.854 1.441 -1.597 1.00 0.00 C ATOM 417 C TYR A 27 12.333 1.660 -1.231 1.00 0.00 C ATOM 418 O TYR A 27 13.055 2.383 -1.899 1.00 0.00 O ATOM 419 CB TYR A 27 10.389 2.500 -2.619 1.00 0.00 C ATOM 420 CG TYR A 27 9.930 3.757 -1.912 1.00 0.00 C ATOM 421 CD1 TYR A 27 10.849 4.549 -1.212 1.00 0.00 C ATOM 422 CD2 TYR A 27 8.579 4.121 -1.952 1.00 0.00 C ATOM 423 CE1 TYR A 27 10.415 5.704 -0.554 1.00 0.00 C ATOM 424 CE2 TYR A 27 8.146 5.273 -1.293 1.00 0.00 C ATOM 425 CZ TYR A 27 9.062 6.065 -0.594 1.00 0.00 C ATOM 426 OH TYR A 27 8.631 7.200 0.061 1.00 0.00 O ATOM 0 H TYR A 27 9.525 2.377 -0.199 1.00 0.00 H new ATOM 0 HA TYR A 27 10.744 0.458 -2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.205 2.738 -3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.575 2.098 -3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.891 4.268 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.871 3.510 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.122 6.317 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.103 5.553 -1.323 1.00 0.00 H new ATOM 0 HH TYR A 27 9.141 7.974 -0.256 1.00 0.00 H new ATOM 436 N LYS A 28 12.781 1.017 -0.176 1.00 0.00 N ATOM 437 CA LYS A 28 14.199 1.139 0.274 1.00 0.00 C ATOM 438 C LYS A 28 14.554 2.607 0.504 1.00 0.00 C ATOM 439 O LYS A 28 15.448 3.162 -0.113 1.00 0.00 O ATOM 440 CB LYS A 28 15.133 0.506 -0.764 1.00 0.00 C ATOM 441 CG LYS A 28 16.360 -0.082 -0.061 1.00 0.00 C ATOM 442 CD LYS A 28 16.727 -1.423 -0.701 1.00 0.00 C ATOM 443 CE LYS A 28 17.702 -1.192 -1.858 1.00 0.00 C ATOM 444 NZ LYS A 28 19.103 -1.201 -1.344 1.00 0.00 N ATOM 0 H LYS A 28 12.208 0.401 0.401 1.00 0.00 H new ATOM 0 HA LYS A 28 14.323 0.608 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.607 -0.275 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.443 1.254 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.200 0.609 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.152 -0.219 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.178 -2.080 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.828 -1.922 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.576 -1.968 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.488 -0.239 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.763 -1.044 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.219 -0.445 -0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.305 -2.120 -0.902 1.00 0.00 H new ATOM 458 N GLY A 29 13.847 3.228 1.405 1.00 0.00 N ATOM 459 CA GLY A 29 14.102 4.659 1.726 1.00 0.00 C ATOM 460 C GLY A 29 12.998 5.176 2.647 1.00 0.00 C ATOM 461 O GLY A 29 13.248 5.959 3.546 1.00 0.00 O ATOM 0 H GLY A 29 13.092 2.798 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.074 4.768 2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.133 5.249 0.810 1.00 0.00 H new ATOM 465 N GLN A 30 11.776 4.742 2.427 1.00 0.00 N ATOM 466 CA GLN A 30 10.648 5.209 3.292 1.00 0.00 C ATOM 467 C GLN A 30 9.428 4.281 3.144 1.00 0.00 C ATOM 468 O GLN A 30 8.876 4.164 2.064 1.00 0.00 O ATOM 469 CB GLN A 30 10.259 6.637 2.885 1.00 0.00 C ATOM 470 CG GLN A 30 9.039 7.098 3.692 1.00 0.00 C ATOM 471 CD GLN A 30 8.675 8.534 3.302 1.00 0.00 C ATOM 472 OE1 GLN A 30 9.007 9.467 4.006 1.00 0.00 O ATOM 473 NE2 GLN A 30 8.002 8.755 2.204 1.00 0.00 N ATOM 0 H GLN A 30 11.515 4.088 1.689 1.00 0.00 H new ATOM 0 HA GLN A 30 10.971 5.192 4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.096 7.314 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.035 6.672 1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.195 6.435 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.255 7.044 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.722 7.973 1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.757 9.709 1.940 1.00 0.00 H new ATOM 482 N PRO A 31 9.020 3.677 4.245 1.00 0.00 N ATOM 483 CA PRO A 31 7.834 2.795 4.266 1.00 0.00 C ATOM 484 C PRO A 31 6.596 3.658 3.998 1.00 0.00 C ATOM 485 O PRO A 31 6.251 4.512 4.797 1.00 0.00 O ATOM 486 CB PRO A 31 7.800 2.213 5.688 1.00 0.00 C ATOM 487 CG PRO A 31 8.945 2.877 6.494 1.00 0.00 C ATOM 488 CD PRO A 31 9.704 3.818 5.544 1.00 0.00 C ATOM 0 HA PRO A 31 7.862 2.002 3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.837 2.409 6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.928 1.131 5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.543 3.432 7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.616 2.120 6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.671 4.848 5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.755 3.540 5.469 1.00 0.00 H new ATOM 496 N MET A 32 5.960 3.492 2.862 1.00 0.00 N ATOM 497 CA MET A 32 4.785 4.368 2.542 1.00 0.00 C ATOM 498 C MET A 32 3.489 3.578 2.290 1.00 0.00 C ATOM 499 O MET A 32 3.427 2.369 2.425 1.00 0.00 O ATOM 500 CB MET A 32 5.126 5.197 1.302 1.00 0.00 C ATOM 501 CG MET A 32 5.514 6.615 1.728 1.00 0.00 C ATOM 502 SD MET A 32 4.025 7.540 2.181 1.00 0.00 S ATOM 503 CE MET A 32 4.854 9.032 2.782 1.00 0.00 C ATOM 0 H MET A 32 6.198 2.799 2.152 1.00 0.00 H new ATOM 0 HA MET A 32 4.598 5.001 3.409 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.947 4.733 0.755 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.271 5.230 0.627 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.202 6.577 2.573 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.035 7.120 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.122 9.692 3.248 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.613 8.757 3.515 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.327 9.547 1.946 1.00 0.00 H new ATOM 513 N THR A 33 2.461 4.301 1.895 1.00 0.00 N ATOM 514 CA THR A 33 1.133 3.715 1.578 1.00 0.00 C ATOM 515 C THR A 33 0.855 4.116 0.131 1.00 0.00 C ATOM 516 O THR A 33 0.694 5.282 -0.188 1.00 0.00 O ATOM 517 CB THR A 33 0.059 4.276 2.535 1.00 0.00 C ATOM 518 OG1 THR A 33 -1.238 3.989 2.028 1.00 0.00 O ATOM 519 CG2 THR A 33 0.219 5.792 2.690 1.00 0.00 C ATOM 0 H THR A 33 2.502 5.313 1.778 1.00 0.00 H new ATOM 0 HA THR A 33 1.116 2.632 1.699 1.00 0.00 H new ATOM 0 HB THR A 33 0.184 3.804 3.509 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.915 4.346 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.546 6.171 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.206 6.014 3.096 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.111 6.271 1.717 1.00 0.00 H new ATOM 527 N PHE A 34 0.892 3.166 -0.750 1.00 0.00 N ATOM 528 CA PHE A 34 0.736 3.462 -2.200 1.00 0.00 C ATOM 529 C PHE A 34 -0.712 3.772 -2.608 1.00 0.00 C ATOM 530 O PHE A 34 -1.592 3.910 -1.784 1.00 0.00 O ATOM 531 CB PHE A 34 1.249 2.252 -2.953 1.00 0.00 C ATOM 532 CG PHE A 34 2.754 2.290 -2.964 1.00 0.00 C ATOM 533 CD1 PHE A 34 3.475 2.207 -1.762 1.00 0.00 C ATOM 534 CD2 PHE A 34 3.426 2.411 -4.176 1.00 0.00 C ATOM 535 CE1 PHE A 34 4.873 2.244 -1.785 1.00 0.00 C ATOM 536 CE2 PHE A 34 4.823 2.447 -4.200 1.00 0.00 C ATOM 537 CZ PHE A 34 5.547 2.363 -3.005 1.00 0.00 C ATOM 0 H PHE A 34 1.026 2.180 -0.527 1.00 0.00 H new ATOM 0 HA PHE A 34 1.301 4.363 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.898 1.336 -2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.864 2.251 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.951 2.115 -0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.868 2.477 -5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.431 2.181 -0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.344 2.540 -5.141 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.626 2.390 -3.025 1.00 0.00 H new ATOM 547 N ARG A 35 -0.937 3.906 -3.899 1.00 0.00 N ATOM 548 CA ARG A 35 -2.304 4.236 -4.426 1.00 0.00 C ATOM 549 C ARG A 35 -3.199 2.986 -4.451 1.00 0.00 C ATOM 550 O ARG A 35 -2.795 1.905 -4.058 1.00 0.00 O ATOM 551 CB ARG A 35 -2.190 4.805 -5.854 1.00 0.00 C ATOM 552 CG ARG A 35 -1.229 3.959 -6.696 1.00 0.00 C ATOM 553 CD ARG A 35 -1.958 3.422 -7.929 1.00 0.00 C ATOM 554 NE ARG A 35 -2.079 4.490 -8.969 1.00 0.00 N ATOM 555 CZ ARG A 35 -2.383 5.719 -8.645 1.00 0.00 C ATOM 556 NH1 ARG A 35 -3.610 6.021 -8.303 1.00 0.00 N ATOM 557 NH2 ARG A 35 -1.463 6.647 -8.669 1.00 0.00 N ATOM 0 H ARG A 35 -0.221 3.799 -4.618 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.753 4.977 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.174 4.824 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.836 5.835 -5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.373 4.560 -7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.842 3.131 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.416 2.568 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.949 3.066 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.921 4.255 -9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.328 5.297 -8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.848 6.980 -8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.508 6.412 -8.941 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.700 7.606 -8.416 1.00 0.00 H new ATOM 571 N LEU A 36 -4.424 3.142 -4.910 1.00 0.00 N ATOM 572 CA LEU A 36 -5.377 1.991 -4.970 1.00 0.00 C ATOM 573 C LEU A 36 -5.716 1.666 -6.436 1.00 0.00 C ATOM 574 O LEU A 36 -6.870 1.526 -6.808 1.00 0.00 O ATOM 575 CB LEU A 36 -6.655 2.352 -4.196 1.00 0.00 C ATOM 576 CG LEU A 36 -7.309 3.601 -4.806 1.00 0.00 C ATOM 577 CD1 LEU A 36 -8.786 3.319 -5.091 1.00 0.00 C ATOM 578 CD2 LEU A 36 -7.196 4.770 -3.824 1.00 0.00 C ATOM 0 H LEU A 36 -4.803 4.027 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.918 1.112 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.354 1.516 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.416 2.533 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.801 3.856 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.249 4.206 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.869 2.488 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.293 3.062 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.660 5.656 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.702 4.514 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.145 4.974 -3.621 1.00 0.00 H new ATOM 590 N LEU A 37 -4.710 1.539 -7.267 1.00 0.00 N ATOM 591 CA LEU A 37 -4.942 1.221 -8.711 1.00 0.00 C ATOM 592 C LEU A 37 -4.073 0.024 -9.116 1.00 0.00 C ATOM 593 O LEU A 37 -4.530 -0.879 -9.794 1.00 0.00 O ATOM 594 CB LEU A 37 -4.577 2.438 -9.569 1.00 0.00 C ATOM 595 CG LEU A 37 -5.794 2.881 -10.385 1.00 0.00 C ATOM 596 CD1 LEU A 37 -6.754 3.671 -9.491 1.00 0.00 C ATOM 597 CD2 LEU A 37 -5.333 3.768 -11.544 1.00 0.00 C ATOM 0 H LEU A 37 -3.730 1.643 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.992 0.974 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.238 3.255 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.751 2.190 -10.236 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.306 2.002 -10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.619 3.985 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.083 3.041 -8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.244 4.550 -9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.198 4.085 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.821 4.645 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.651 3.207 -12.183 1.00 0.00 H new ATOM 609 N LEU A 38 -2.826 0.014 -8.697 1.00 0.00 N ATOM 610 CA LEU A 38 -1.909 -1.119 -9.038 1.00 0.00 C ATOM 611 C LEU A 38 -2.471 -2.432 -8.464 1.00 0.00 C ATOM 612 O LEU A 38 -2.223 -3.501 -8.995 1.00 0.00 O ATOM 613 CB LEU A 38 -0.522 -0.834 -8.434 1.00 0.00 C ATOM 614 CG LEU A 38 0.565 -1.719 -9.073 1.00 0.00 C ATOM 615 CD1 LEU A 38 0.752 -2.986 -8.239 1.00 0.00 C ATOM 616 CD2 LEU A 38 0.181 -2.107 -10.507 1.00 0.00 C ATOM 0 H LEU A 38 -2.404 0.749 -8.129 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.825 -1.216 -10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.269 0.216 -8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.549 -1.009 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 38 1.496 -1.152 -9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.521 -3.610 -8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.055 -2.715 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.187 -3.538 -8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.964 -2.732 -10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.759 -2.660 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.064 -1.206 -11.109 1.00 0.00 H new ATOM 628 N VAL A 39 -3.234 -2.357 -7.394 1.00 0.00 N ATOM 629 CA VAL A 39 -3.824 -3.595 -6.788 1.00 0.00 C ATOM 630 C VAL A 39 -5.048 -4.034 -7.629 1.00 0.00 C ATOM 631 O VAL A 39 -4.986 -4.029 -8.847 1.00 0.00 O ATOM 632 CB VAL A 39 -4.219 -3.318 -5.323 1.00 0.00 C ATOM 633 CG1 VAL A 39 -4.340 -4.642 -4.561 1.00 0.00 C ATOM 634 CG2 VAL A 39 -3.141 -2.459 -4.649 1.00 0.00 C ATOM 0 H VAL A 39 -3.473 -1.489 -6.915 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.093 -4.403 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.174 -2.793 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.619 -4.442 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.104 -5.263 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.383 -5.164 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.424 -2.266 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.188 -2.987 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.044 -1.513 -5.181 1.00 0.00 H new ATOM 870 N TYR A 54 -13.415 -7.788 0.494 1.00 0.00 N ATOM 871 CA TYR A 54 -12.649 -8.957 1.034 1.00 0.00 C ATOM 872 C TYR A 54 -11.812 -9.570 -0.098 1.00 0.00 C ATOM 873 O TYR A 54 -12.164 -10.593 -0.657 1.00 0.00 O ATOM 874 CB TYR A 54 -13.623 -10.001 1.603 1.00 0.00 C ATOM 875 CG TYR A 54 -13.717 -9.843 3.102 1.00 0.00 C ATOM 876 CD1 TYR A 54 -14.662 -8.971 3.655 1.00 0.00 C ATOM 877 CD2 TYR A 54 -12.860 -10.568 3.938 1.00 0.00 C ATOM 878 CE1 TYR A 54 -14.749 -8.823 5.045 1.00 0.00 C ATOM 879 CE2 TYR A 54 -12.946 -10.421 5.327 1.00 0.00 C ATOM 880 CZ TYR A 54 -13.891 -9.548 5.881 1.00 0.00 C ATOM 881 OH TYR A 54 -13.976 -9.402 7.250 1.00 0.00 O ATOM 0 HA TYR A 54 -11.988 -8.628 1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -14.608 -9.878 1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -13.281 -11.006 1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.324 -8.412 3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -12.132 -11.241 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -15.478 -8.150 5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.284 -10.980 5.972 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.310 -9.977 7.682 1.00 0.00 H new ATOM 891 N GLY A 55 -10.716 -8.924 -0.443 1.00 0.00 N ATOM 892 CA GLY A 55 -9.825 -9.415 -1.549 1.00 0.00 C ATOM 893 C GLY A 55 -9.691 -10.946 -1.509 1.00 0.00 C ATOM 894 O GLY A 55 -8.994 -11.479 -0.665 1.00 0.00 O ATOM 0 H GLY A 55 -10.398 -8.064 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.231 -9.107 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.840 -8.958 -1.458 1.00 0.00 H new ATOM 898 N PRO A 56 -10.369 -11.606 -2.429 1.00 0.00 N ATOM 899 CA PRO A 56 -10.350 -13.081 -2.531 1.00 0.00 C ATOM 900 C PRO A 56 -8.976 -13.563 -3.019 1.00 0.00 C ATOM 901 O PRO A 56 -7.996 -12.842 -2.958 1.00 0.00 O ATOM 902 CB PRO A 56 -11.432 -13.410 -3.572 1.00 0.00 C ATOM 903 CG PRO A 56 -11.941 -12.073 -4.164 1.00 0.00 C ATOM 904 CD PRO A 56 -11.214 -10.934 -3.435 1.00 0.00 C ATOM 0 HA PRO A 56 -10.534 -13.567 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.025 -14.046 -4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.252 -13.960 -3.110 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.744 -12.029 -5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.020 -11.983 -4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.612 -10.343 -4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.921 -10.251 -2.964 1.00 0.00 H new ATOM 912 N GLU A 57 -8.902 -14.777 -3.515 1.00 0.00 N ATOM 913 CA GLU A 57 -7.601 -15.307 -4.022 1.00 0.00 C ATOM 914 C GLU A 57 -7.279 -14.651 -5.369 1.00 0.00 C ATOM 915 O GLU A 57 -6.142 -14.313 -5.641 1.00 0.00 O ATOM 916 CB GLU A 57 -7.692 -16.825 -4.198 1.00 0.00 C ATOM 917 CG GLU A 57 -6.313 -17.445 -3.957 1.00 0.00 C ATOM 918 CD GLU A 57 -6.394 -18.967 -4.116 1.00 0.00 C ATOM 919 OE1 GLU A 57 -6.662 -19.633 -3.128 1.00 0.00 O ATOM 920 OE2 GLU A 57 -6.187 -19.441 -5.221 1.00 0.00 O ATOM 0 H GLU A 57 -9.689 -15.422 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.812 -15.079 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.418 -17.241 -3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.042 -17.066 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.591 -17.034 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.960 -17.193 -2.957 1.00 0.00 H new ATOM 927 N ALA A 58 -8.278 -14.461 -6.207 1.00 0.00 N ATOM 928 CA ALA A 58 -8.047 -13.816 -7.538 1.00 0.00 C ATOM 929 C ALA A 58 -7.480 -12.406 -7.327 1.00 0.00 C ATOM 930 O ALA A 58 -6.513 -12.019 -7.960 1.00 0.00 O ATOM 931 CB ALA A 58 -9.373 -13.724 -8.300 1.00 0.00 C ATOM 0 H ALA A 58 -9.245 -14.727 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.339 -14.412 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.204 -13.254 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.778 -14.725 -8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.082 -13.127 -7.726 1.00 0.00 H new ATOM 937 N SER A 59 -8.070 -11.646 -6.432 1.00 0.00 N ATOM 938 CA SER A 59 -7.572 -10.263 -6.157 1.00 0.00 C ATOM 939 C SER A 59 -6.277 -10.337 -5.333 1.00 0.00 C ATOM 940 O SER A 59 -5.422 -9.476 -5.436 1.00 0.00 O ATOM 941 CB SER A 59 -8.632 -9.484 -5.373 1.00 0.00 C ATOM 942 OG SER A 59 -8.338 -8.095 -5.438 1.00 0.00 O ATOM 0 H SER A 59 -8.879 -11.928 -5.879 1.00 0.00 H new ATOM 0 HA SER A 59 -7.373 -9.756 -7.101 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.622 -9.678 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.650 -9.815 -4.335 1.00 0.00 H new ATOM 0 HG SER A 59 -9.016 -7.593 -4.938 1.00 0.00 H new ATOM 948 N ALA A 60 -6.130 -11.362 -4.518 1.00 0.00 N ATOM 949 CA ALA A 60 -4.895 -11.502 -3.685 1.00 0.00 C ATOM 950 C ALA A 60 -3.674 -11.755 -4.581 1.00 0.00 C ATOM 951 O ALA A 60 -2.560 -11.448 -4.204 1.00 0.00 O ATOM 952 CB ALA A 60 -5.061 -12.672 -2.712 1.00 0.00 C ATOM 0 H ALA A 60 -6.816 -12.107 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.742 -10.578 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.160 -12.772 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.916 -12.486 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.225 -13.592 -3.274 1.00 0.00 H new ATOM 958 N PHE A 61 -3.873 -12.307 -5.764 1.00 0.00 N ATOM 959 CA PHE A 61 -2.720 -12.572 -6.686 1.00 0.00 C ATOM 960 C PHE A 61 -1.982 -11.257 -6.974 1.00 0.00 C ATOM 961 O PHE A 61 -0.768 -11.193 -6.906 1.00 0.00 O ATOM 962 CB PHE A 61 -3.232 -13.171 -8.002 1.00 0.00 C ATOM 963 CG PHE A 61 -3.837 -14.538 -7.759 1.00 0.00 C ATOM 964 CD1 PHE A 61 -3.262 -15.416 -6.827 1.00 0.00 C ATOM 965 CD2 PHE A 61 -4.975 -14.931 -8.475 1.00 0.00 C ATOM 966 CE1 PHE A 61 -3.825 -16.679 -6.614 1.00 0.00 C ATOM 967 CE2 PHE A 61 -5.538 -16.195 -8.259 1.00 0.00 C ATOM 968 CZ PHE A 61 -4.964 -17.069 -7.329 1.00 0.00 C ATOM 0 H PHE A 61 -4.785 -12.584 -6.126 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.037 -13.278 -6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.977 -12.510 -8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.412 -13.251 -8.716 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.384 -15.116 -6.274 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.419 -14.259 -9.194 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.381 -17.354 -5.897 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.416 -16.496 -8.811 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.399 -18.043 -7.163 1.00 0.00 H new ATOM 978 N THR A 62 -2.713 -10.206 -7.278 1.00 0.00 N ATOM 979 CA THR A 62 -2.069 -8.881 -7.552 1.00 0.00 C ATOM 980 C THR A 62 -1.506 -8.320 -6.239 1.00 0.00 C ATOM 981 O THR A 62 -0.496 -7.639 -6.224 1.00 0.00 O ATOM 982 CB THR A 62 -3.114 -7.907 -8.121 1.00 0.00 C ATOM 983 OG1 THR A 62 -3.860 -8.548 -9.148 1.00 0.00 O ATOM 984 CG2 THR A 62 -2.415 -6.674 -8.696 1.00 0.00 C ATOM 0 H THR A 62 -3.731 -10.211 -7.348 1.00 0.00 H new ATOM 0 HA THR A 62 -1.264 -9.005 -8.276 1.00 0.00 H new ATOM 0 HB THR A 62 -3.787 -7.601 -7.320 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.526 -7.925 -9.507 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.160 -5.987 -9.098 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.850 -6.176 -7.908 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.736 -6.979 -9.492 1.00 0.00 H new ATOM 992 N LYS A 63 -2.157 -8.615 -5.137 1.00 0.00 N ATOM 993 CA LYS A 63 -1.690 -8.125 -3.806 1.00 0.00 C ATOM 994 C LYS A 63 -0.517 -8.982 -3.293 1.00 0.00 C ATOM 995 O LYS A 63 0.114 -8.639 -2.309 1.00 0.00 O ATOM 996 CB LYS A 63 -2.855 -8.221 -2.818 1.00 0.00 C ATOM 997 CG LYS A 63 -2.705 -7.160 -1.726 1.00 0.00 C ATOM 998 CD LYS A 63 -3.342 -7.669 -0.429 1.00 0.00 C ATOM 999 CE LYS A 63 -4.822 -7.988 -0.669 1.00 0.00 C ATOM 1000 NZ LYS A 63 -5.050 -9.455 -0.518 1.00 0.00 N ATOM 0 H LYS A 63 -3.004 -9.183 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.350 -7.094 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.800 -8.083 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.882 -9.214 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.651 -6.937 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.183 -6.231 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.820 -8.561 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.245 -6.917 0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.442 -7.439 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.117 -7.665 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.858 -9.743 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.199 -9.971 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.252 -9.674 0.478 1.00 0.00 H new ATOM 1014 N LYS A 64 -0.216 -10.088 -3.947 1.00 0.00 N ATOM 1015 CA LYS A 64 0.914 -10.956 -3.494 1.00 0.00 C ATOM 1016 C LYS A 64 2.248 -10.251 -3.738 1.00 0.00 C ATOM 1017 O LYS A 64 3.261 -10.627 -3.181 1.00 0.00 O ATOM 1018 CB LYS A 64 0.889 -12.288 -4.257 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.065 -13.282 -3.580 1.00 0.00 C ATOM 1020 CD LYS A 64 0.069 -13.198 -2.059 1.00 0.00 C ATOM 1021 CE LYS A 64 -0.484 -14.474 -1.420 1.00 0.00 C ATOM 1022 NZ LYS A 64 -0.107 -14.515 0.022 1.00 0.00 N ATOM 0 H LYS A 64 -0.709 -10.422 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 64 0.802 -11.150 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.574 -12.117 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.893 -12.709 -4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.093 -13.067 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.157 -14.295 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.115 -13.066 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.471 -12.329 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.569 -14.504 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.090 -15.351 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.581 -15.318 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.924 -14.625 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.400 -13.630 0.483 1.00 0.00 H new ATOM 1036 N MET A 65 2.255 -9.210 -4.538 1.00 0.00 N ATOM 1037 CA MET A 65 3.517 -8.457 -4.790 1.00 0.00 C ATOM 1038 C MET A 65 4.095 -7.935 -3.451 1.00 0.00 C ATOM 1039 O MET A 65 5.214 -7.458 -3.398 1.00 0.00 O ATOM 1040 CB MET A 65 3.208 -7.292 -5.742 1.00 0.00 C ATOM 1041 CG MET A 65 2.600 -6.116 -4.969 1.00 0.00 C ATOM 1042 SD MET A 65 1.486 -5.195 -6.057 1.00 0.00 S ATOM 1043 CE MET A 65 0.325 -4.640 -4.784 1.00 0.00 C ATOM 0 H MET A 65 1.435 -8.851 -5.027 1.00 0.00 H new ATOM 0 HA MET A 65 4.262 -9.109 -5.247 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.121 -6.972 -6.244 1.00 0.00 H new ATOM 0 HB3 MET A 65 2.517 -7.622 -6.518 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.056 -6.481 -4.098 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.390 -5.461 -4.600 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.671 -5.020 -5.010 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.645 -5.015 -3.812 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.302 -3.550 -4.763 1.00 0.00 H new ATOM 1053 N LEU A 66 3.333 -8.030 -2.374 1.00 0.00 N ATOM 1054 CA LEU A 66 3.811 -7.556 -1.041 1.00 0.00 C ATOM 1055 C LEU A 66 3.768 -8.703 -0.009 1.00 0.00 C ATOM 1056 O LEU A 66 4.384 -8.615 1.036 1.00 0.00 O ATOM 1057 CB LEU A 66 2.885 -6.436 -0.556 1.00 0.00 C ATOM 1058 CG LEU A 66 3.553 -5.076 -0.756 1.00 0.00 C ATOM 1059 CD1 LEU A 66 3.143 -4.500 -2.114 1.00 0.00 C ATOM 1060 CD2 LEU A 66 3.101 -4.129 0.358 1.00 0.00 C ATOM 0 H LEU A 66 2.391 -8.422 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 66 4.837 -7.201 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.943 -6.471 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.647 -6.581 0.498 1.00 0.00 H new ATOM 0 HG LEU A 66 4.637 -5.190 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.619 -3.530 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.457 -5.179 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.060 -4.381 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.573 -3.156 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.018 -4.015 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.390 -4.541 1.325 1.00 0.00 H new ATOM 1072 N GLU A 67 3.033 -9.766 -0.274 1.00 0.00 N ATOM 1073 CA GLU A 67 2.946 -10.887 0.711 1.00 0.00 C ATOM 1074 C GLU A 67 4.144 -11.834 0.578 1.00 0.00 C ATOM 1075 O GLU A 67 4.454 -12.572 1.498 1.00 0.00 O ATOM 1076 CB GLU A 67 1.649 -11.667 0.470 1.00 0.00 C ATOM 1077 CG GLU A 67 0.539 -11.107 1.366 1.00 0.00 C ATOM 1078 CD GLU A 67 -0.534 -10.430 0.506 1.00 0.00 C ATOM 1079 OE1 GLU A 67 -1.401 -11.130 0.009 1.00 0.00 O ATOM 1080 OE2 GLU A 67 -0.473 -9.220 0.363 1.00 0.00 O ATOM 0 H GLU A 67 2.493 -9.899 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 67 2.953 -10.467 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.357 -11.592 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.804 -12.725 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.094 -11.910 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.957 -10.390 2.073 1.00 0.00 H new ATOM 1087 N ASN A 68 4.794 -11.855 -0.563 1.00 0.00 N ATOM 1088 CA ASN A 68 5.940 -12.802 -0.746 1.00 0.00 C ATOM 1089 C ASN A 68 7.028 -12.246 -1.693 1.00 0.00 C ATOM 1090 O ASN A 68 8.148 -12.723 -1.676 1.00 0.00 O ATOM 1091 CB ASN A 68 5.389 -14.118 -1.311 1.00 0.00 C ATOM 1092 CG ASN A 68 4.922 -13.922 -2.762 1.00 0.00 C ATOM 1093 OD1 ASN A 68 3.959 -13.074 -3.041 1.00 0.00 O flip ATOM 1094 ND2 ASN A 68 5.442 -14.552 -3.662 1.00 0.00 N flip ATOM 0 H ASN A 68 4.583 -11.264 -1.367 1.00 0.00 H new ATOM 0 HA ASN A 68 6.415 -12.954 0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.158 -14.889 -1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.557 -14.465 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.191 -15.213 -3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.130 -14.420 -4.624 1.00 0.00 H new ATOM 1101 N ALA A 69 6.723 -11.266 -2.518 1.00 0.00 N ATOM 1102 CA ALA A 69 7.760 -10.722 -3.455 1.00 0.00 C ATOM 1103 C ALA A 69 8.842 -9.973 -2.663 1.00 0.00 C ATOM 1104 O ALA A 69 8.548 -9.137 -1.827 1.00 0.00 O ATOM 1105 CB ALA A 69 7.101 -9.773 -4.458 1.00 0.00 C ATOM 0 H ALA A 69 5.806 -10.823 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 69 8.223 -11.549 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.857 -9.379 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.346 -10.314 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.629 -8.949 -3.923 1.00 0.00 H new ATOM 1111 N LYS A 70 10.093 -10.277 -2.929 1.00 0.00 N ATOM 1112 CA LYS A 70 11.216 -9.602 -2.207 1.00 0.00 C ATOM 1113 C LYS A 70 11.772 -8.468 -3.074 1.00 0.00 C ATOM 1114 O LYS A 70 11.896 -7.342 -2.625 1.00 0.00 O ATOM 1115 CB LYS A 70 12.324 -10.622 -1.917 1.00 0.00 C ATOM 1116 CG LYS A 70 13.059 -10.233 -0.631 1.00 0.00 C ATOM 1117 CD LYS A 70 13.632 -11.489 0.032 1.00 0.00 C ATOM 1118 CE LYS A 70 14.182 -11.133 1.416 1.00 0.00 C ATOM 1119 NZ LYS A 70 15.630 -10.788 1.306 1.00 0.00 N ATOM 0 H LYS A 70 10.383 -10.969 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 70 10.850 -9.191 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.896 -11.619 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.025 -10.659 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.861 -9.530 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.376 -9.728 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.857 -12.251 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.423 -11.911 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.628 -10.292 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.049 -11.972 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.002 -10.547 2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.153 -11.602 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.746 -9.974 0.669 1.00 0.00 H new ATOM 1133 N LYS A 71 12.094 -8.754 -4.316 1.00 0.00 N ATOM 1134 CA LYS A 71 12.627 -7.690 -5.224 1.00 0.00 C ATOM 1135 C LYS A 71 11.447 -6.870 -5.743 1.00 0.00 C ATOM 1136 O LYS A 71 10.506 -7.415 -6.291 1.00 0.00 O ATOM 1137 CB LYS A 71 13.368 -8.331 -6.402 1.00 0.00 C ATOM 1138 CG LYS A 71 14.633 -9.030 -5.893 1.00 0.00 C ATOM 1139 CD LYS A 71 15.101 -10.061 -6.924 1.00 0.00 C ATOM 1140 CE LYS A 71 14.225 -11.314 -6.838 1.00 0.00 C ATOM 1141 NZ LYS A 71 14.685 -12.174 -5.710 1.00 0.00 N ATOM 0 H LYS A 71 12.010 -9.679 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 71 13.323 -7.050 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.720 -9.049 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.631 -7.570 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.419 -8.296 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.432 -9.519 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.047 -9.637 -7.927 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.144 -10.322 -6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.183 -11.031 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.275 -11.869 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.876 -12.702 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.403 -12.843 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.097 -11.577 -4.964 1.00 0.00 H new ATOM 1155 N ILE A 72 11.471 -5.571 -5.555 1.00 0.00 N ATOM 1156 CA ILE A 72 10.328 -4.734 -6.019 1.00 0.00 C ATOM 1157 C ILE A 72 10.841 -3.453 -6.667 1.00 0.00 C ATOM 1158 O ILE A 72 11.291 -2.551 -5.996 1.00 0.00 O ATOM 1159 CB ILE A 72 9.445 -4.366 -4.826 1.00 0.00 C ATOM 1160 CG1 ILE A 72 9.103 -5.622 -4.015 1.00 0.00 C ATOM 1161 CG2 ILE A 72 8.159 -3.712 -5.327 1.00 0.00 C ATOM 1162 CD1 ILE A 72 8.482 -5.220 -2.676 1.00 0.00 C ATOM 0 H ILE A 72 12.230 -5.061 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 72 9.752 -5.303 -6.749 1.00 0.00 H new ATOM 0 HB ILE A 72 9.984 -3.668 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.409 -6.250 -4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.003 -6.213 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.529 -3.450 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.404 -2.811 -5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.625 -4.408 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.241 -6.116 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.190 -4.610 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.572 -4.647 -2.854 1.00 0.00 H new ATOM 1174 N GLU A 73 10.741 -3.355 -7.964 1.00 0.00 N ATOM 1175 CA GLU A 73 11.199 -2.122 -8.662 1.00 0.00 C ATOM 1176 C GLU A 73 10.076 -1.087 -8.568 1.00 0.00 C ATOM 1177 O GLU A 73 9.390 -0.798 -9.534 1.00 0.00 O ATOM 1178 CB GLU A 73 11.516 -2.440 -10.131 1.00 0.00 C ATOM 1179 CG GLU A 73 12.641 -3.482 -10.207 1.00 0.00 C ATOM 1180 CD GLU A 73 12.050 -4.895 -10.127 1.00 0.00 C ATOM 1181 OE1 GLU A 73 11.321 -5.267 -11.033 1.00 0.00 O ATOM 1182 OE2 GLU A 73 12.334 -5.583 -9.159 1.00 0.00 O ATOM 0 H GLU A 73 10.360 -4.080 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 73 12.106 -1.733 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.624 -2.817 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.814 -1.531 -10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.197 -3.363 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.348 -3.327 -9.392 1.00 0.00 H new ATOM 1189 N VAL A 74 9.875 -0.548 -7.390 1.00 0.00 N ATOM 1190 CA VAL A 74 8.789 0.454 -7.183 1.00 0.00 C ATOM 1191 C VAL A 74 9.052 1.683 -8.057 1.00 0.00 C ATOM 1192 O VAL A 74 9.990 2.431 -7.843 1.00 0.00 O ATOM 1193 CB VAL A 74 8.716 0.880 -5.706 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.288 1.296 -5.365 1.00 0.00 C ATOM 1195 CG2 VAL A 74 9.114 -0.276 -4.789 1.00 0.00 C ATOM 0 H VAL A 74 10.423 -0.763 -6.557 1.00 0.00 H new ATOM 0 HA VAL A 74 7.839 -0.001 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 74 9.403 1.713 -5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.237 1.598 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.991 2.132 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.614 0.456 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.055 0.047 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.437 -1.115 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.134 -0.586 -5.016 1.00 0.00 H new ATOM 1205 N GLU A 75 8.215 1.886 -9.039 1.00 0.00 N ATOM 1206 CA GLU A 75 8.361 3.054 -9.951 1.00 0.00 C ATOM 1207 C GLU A 75 7.491 4.194 -9.397 1.00 0.00 C ATOM 1208 O GLU A 75 6.276 4.125 -9.455 1.00 0.00 O ATOM 1209 CB GLU A 75 7.878 2.625 -11.341 1.00 0.00 C ATOM 1210 CG GLU A 75 8.807 3.193 -12.409 1.00 0.00 C ATOM 1211 CD GLU A 75 8.879 2.236 -13.602 1.00 0.00 C ATOM 1212 OE1 GLU A 75 7.954 2.242 -14.400 1.00 0.00 O ATOM 1213 OE2 GLU A 75 9.860 1.517 -13.701 1.00 0.00 O ATOM 0 H GLU A 75 7.422 1.280 -9.250 1.00 0.00 H new ATOM 0 HA GLU A 75 9.394 3.395 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.854 1.537 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.860 2.977 -11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.446 4.168 -12.736 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.803 3.345 -11.993 1.00 0.00 H new ATOM 1220 N PHE A 76 8.090 5.221 -8.810 1.00 0.00 N ATOM 1221 CA PHE A 76 7.253 6.313 -8.204 1.00 0.00 C ATOM 1222 C PHE A 76 7.886 7.720 -8.329 1.00 0.00 C ATOM 1223 O PHE A 76 8.021 8.419 -7.339 1.00 0.00 O ATOM 1224 CB PHE A 76 7.029 5.985 -6.710 1.00 0.00 C ATOM 1225 CG PHE A 76 8.355 5.751 -6.007 1.00 0.00 C ATOM 1226 CD1 PHE A 76 8.967 4.492 -6.066 1.00 0.00 C ATOM 1227 CD2 PHE A 76 8.968 6.790 -5.293 1.00 0.00 C ATOM 1228 CE1 PHE A 76 10.188 4.275 -5.417 1.00 0.00 C ATOM 1229 CE2 PHE A 76 10.188 6.571 -4.645 1.00 0.00 C ATOM 1230 CZ PHE A 76 10.797 5.315 -4.708 1.00 0.00 C ATOM 0 H PHE A 76 9.099 5.344 -8.728 1.00 0.00 H new ATOM 0 HA PHE A 76 6.314 6.347 -8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.496 6.805 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.401 5.099 -6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.496 3.688 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.498 7.761 -5.243 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.660 3.305 -5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.659 7.373 -4.096 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.740 5.147 -4.208 1.00 0.00 H new ATOM 1240 N ASP A 77 8.235 8.173 -9.522 1.00 0.00 N ATOM 1241 CA ASP A 77 8.806 9.556 -9.667 1.00 0.00 C ATOM 1242 C ASP A 77 10.203 9.645 -9.034 1.00 0.00 C ATOM 1243 O ASP A 77 10.489 9.005 -8.036 1.00 0.00 O ATOM 1244 CB ASP A 77 7.874 10.572 -8.988 1.00 0.00 C ATOM 1245 CG ASP A 77 8.204 11.988 -9.470 1.00 0.00 C ATOM 1246 OD1 ASP A 77 7.655 12.391 -10.481 1.00 0.00 O ATOM 1247 OD2 ASP A 77 8.997 12.646 -8.816 1.00 0.00 O ATOM 0 H ASP A 77 8.148 7.647 -10.391 1.00 0.00 H new ATOM 0 HA ASP A 77 8.892 9.781 -10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.835 10.334 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.984 10.512 -7.905 1.00 0.00 H new ATOM 1252 N LYS A 78 11.071 10.452 -9.611 1.00 0.00 N ATOM 1253 CA LYS A 78 12.451 10.616 -9.052 1.00 0.00 C ATOM 1254 C LYS A 78 12.357 10.962 -7.558 1.00 0.00 C ATOM 1255 O LYS A 78 13.077 10.415 -6.743 1.00 0.00 O ATOM 1256 CB LYS A 78 13.174 11.748 -9.793 1.00 0.00 C ATOM 1257 CG LYS A 78 13.977 11.169 -10.960 1.00 0.00 C ATOM 1258 CD LYS A 78 15.345 10.697 -10.459 1.00 0.00 C ATOM 1259 CE LYS A 78 16.172 10.172 -11.637 1.00 0.00 C ATOM 1260 NZ LYS A 78 17.090 11.242 -12.122 1.00 0.00 N ATOM 0 H LYS A 78 10.878 11.004 -10.447 1.00 0.00 H new ATOM 0 HA LYS A 78 13.007 9.687 -9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.450 12.475 -10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.838 12.278 -9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.436 10.336 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.103 11.923 -11.737 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.869 11.520 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.219 9.913 -9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.746 9.298 -11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.512 9.852 -12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.650 10.883 -12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.533 12.064 -12.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.729 11.527 -11.352 1.00 0.00 H new ATOM 1274 N GLY A 79 11.455 11.852 -7.199 1.00 0.00 N ATOM 1275 CA GLY A 79 11.279 12.229 -5.771 1.00 0.00 C ATOM 1276 C GLY A 79 9.928 11.697 -5.279 1.00 0.00 C ATOM 1277 O GLY A 79 9.235 10.979 -5.982 1.00 0.00 O ATOM 0 H GLY A 79 10.832 12.333 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.088 11.815 -5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.321 13.312 -5.659 1.00 0.00 H new ATOM 1281 N GLN A 80 9.555 12.045 -4.079 1.00 0.00 N ATOM 1282 CA GLN A 80 8.256 11.573 -3.520 1.00 0.00 C ATOM 1283 C GLN A 80 7.121 12.474 -4.008 1.00 0.00 C ATOM 1284 O GLN A 80 7.228 13.688 -3.991 1.00 0.00 O ATOM 1285 CB GLN A 80 8.311 11.586 -1.988 1.00 0.00 C ATOM 1286 CG GLN A 80 7.491 10.414 -1.430 1.00 0.00 C ATOM 1287 CD GLN A 80 7.874 9.114 -2.153 1.00 0.00 C ATOM 1288 OE1 GLN A 80 9.024 8.720 -2.153 1.00 0.00 O ATOM 1289 NE2 GLN A 80 6.952 8.433 -2.778 1.00 0.00 N ATOM 0 H GLN A 80 10.099 12.642 -3.456 1.00 0.00 H new ATOM 0 HA GLN A 80 8.072 10.554 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.345 11.512 -1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.919 12.530 -1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.670 10.311 -0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.427 10.611 -1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.987 8.763 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.197 7.571 -3.266 1.00 0.00 H new ATOM 1298 N ARG A 81 6.030 11.886 -4.432 1.00 0.00 N ATOM 1299 CA ARG A 81 4.874 12.695 -4.910 1.00 0.00 C ATOM 1300 C ARG A 81 3.876 12.867 -3.756 1.00 0.00 C ATOM 1301 O ARG A 81 2.739 12.431 -3.824 1.00 0.00 O ATOM 1302 CB ARG A 81 4.210 11.983 -6.096 1.00 0.00 C ATOM 1303 CG ARG A 81 4.778 12.534 -7.407 1.00 0.00 C ATOM 1304 CD ARG A 81 4.407 11.596 -8.560 1.00 0.00 C ATOM 1305 NE ARG A 81 4.668 12.269 -9.871 1.00 0.00 N ATOM 1306 CZ ARG A 81 4.413 13.542 -10.029 1.00 0.00 C ATOM 1307 NH1 ARG A 81 3.182 13.942 -10.228 1.00 0.00 N ATOM 1308 NH2 ARG A 81 5.386 14.416 -9.987 1.00 0.00 N ATOM 0 H ARG A 81 5.893 10.876 -4.467 1.00 0.00 H new ATOM 0 HA ARG A 81 5.211 13.678 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.386 10.909 -6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.131 12.131 -6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.383 13.532 -7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 81 5.862 12.628 -7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.987 10.676 -8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.356 11.316 -8.488 1.00 0.00 H new ATOM 0 HE ARG A 81 5.048 11.730 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.423 13.261 -10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.982 14.935 -10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.345 14.105 -9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.186 15.408 -10.110 1.00 0.00 H new ATOM 1322 N THR A 82 4.304 13.508 -2.689 1.00 0.00 N ATOM 1323 CA THR A 82 3.412 13.727 -1.523 1.00 0.00 C ATOM 1324 C THR A 82 2.481 14.899 -1.813 1.00 0.00 C ATOM 1325 O THR A 82 2.743 15.721 -2.674 1.00 0.00 O ATOM 1326 CB THR A 82 4.246 14.043 -0.277 1.00 0.00 C ATOM 1327 OG1 THR A 82 5.118 15.136 -0.546 1.00 0.00 O ATOM 1328 CG2 THR A 82 5.073 12.816 0.120 1.00 0.00 C ATOM 0 H THR A 82 5.245 13.889 -2.585 1.00 0.00 H new ATOM 0 HA THR A 82 2.828 12.824 -1.345 1.00 0.00 H new ATOM 0 HB THR A 82 3.576 14.307 0.541 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.648 15.336 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.664 13.047 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.406 11.982 0.336 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.739 12.545 -0.699 1.00 0.00 H new ATOM 1336 N ASP A 83 1.393 14.974 -1.098 1.00 0.00 N ATOM 1337 CA ASP A 83 0.429 16.092 -1.330 1.00 0.00 C ATOM 1338 C ASP A 83 -0.630 16.190 -0.217 1.00 0.00 C ATOM 1339 O ASP A 83 -0.587 17.092 0.598 1.00 0.00 O ATOM 1340 CB ASP A 83 -0.253 15.875 -2.685 1.00 0.00 C ATOM 1341 CG ASP A 83 -1.097 17.102 -3.052 1.00 0.00 C ATOM 1342 OD1 ASP A 83 -0.538 18.041 -3.596 1.00 0.00 O ATOM 1343 OD2 ASP A 83 -2.287 17.081 -2.784 1.00 0.00 O ATOM 0 H ASP A 83 1.128 14.315 -0.366 1.00 0.00 H new ATOM 0 HA ASP A 83 0.983 17.031 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.498 15.697 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.885 14.988 -2.645 1.00 0.00 H new ATOM 1348 N LYS A 84 -1.591 15.293 -0.193 1.00 0.00 N ATOM 1349 CA LYS A 84 -2.670 15.358 0.852 1.00 0.00 C ATOM 1350 C LYS A 84 -2.169 14.805 2.196 1.00 0.00 C ATOM 1351 O LYS A 84 -2.899 14.783 3.171 1.00 0.00 O ATOM 1352 CB LYS A 84 -3.872 14.528 0.381 1.00 0.00 C ATOM 1353 CG LYS A 84 -3.448 13.070 0.163 1.00 0.00 C ATOM 1354 CD LYS A 84 -4.395 12.137 0.926 1.00 0.00 C ATOM 1355 CE LYS A 84 -5.456 11.590 -0.031 1.00 0.00 C ATOM 1356 NZ LYS A 84 -6.370 10.671 0.707 1.00 0.00 N ATOM 0 H LYS A 84 -1.676 14.518 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.957 16.400 0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.671 14.577 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.270 14.942 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.465 12.831 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.424 12.924 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.833 11.315 1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.872 12.676 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.024 12.411 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.978 11.060 -0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.090 10.300 0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.822 9.881 1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.836 11.190 1.478 1.00 0.00 H new ATOM 1370 N TYR A 85 -0.936 14.360 2.243 1.00 0.00 N ATOM 1371 CA TYR A 85 -0.349 13.792 3.498 1.00 0.00 C ATOM 1372 C TYR A 85 0.954 13.075 3.123 1.00 0.00 C ATOM 1373 O TYR A 85 1.893 13.025 3.896 1.00 0.00 O ATOM 1374 CB TYR A 85 -1.330 12.786 4.131 1.00 0.00 C ATOM 1375 CG TYR A 85 -0.616 11.928 5.153 1.00 0.00 C ATOM 1376 CD1 TYR A 85 -0.299 12.452 6.411 1.00 0.00 C ATOM 1377 CD2 TYR A 85 -0.272 10.608 4.837 1.00 0.00 C ATOM 1378 CE1 TYR A 85 0.362 11.655 7.355 1.00 0.00 C ATOM 1379 CE2 TYR A 85 0.389 9.811 5.780 1.00 0.00 C ATOM 1380 CZ TYR A 85 0.706 10.335 7.038 1.00 0.00 C ATOM 1381 OH TYR A 85 1.357 9.550 7.968 1.00 0.00 O ATOM 0 H TYR A 85 -0.299 14.367 1.447 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.157 14.587 4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.153 13.320 4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.765 12.155 3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.564 13.470 6.654 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.517 10.204 3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.606 12.058 8.327 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.654 8.793 5.536 1.00 0.00 H new ATOM 0 HH TYR A 85 1.521 8.661 7.589 1.00 0.00 H new ATOM 1391 N GLY A 86 1.002 12.522 1.932 1.00 0.00 N ATOM 1392 CA GLY A 86 2.212 11.804 1.472 1.00 0.00 C ATOM 1393 C GLY A 86 1.801 10.819 0.384 1.00 0.00 C ATOM 1394 O GLY A 86 2.001 11.065 -0.790 1.00 0.00 O ATOM 0 H GLY A 86 0.237 12.544 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.948 12.509 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.680 11.277 2.304 1.00 0.00 H new ATOM 1398 N ARG A 87 1.203 9.716 0.778 1.00 0.00 N ATOM 1399 CA ARG A 87 0.747 8.675 -0.203 1.00 0.00 C ATOM 1400 C ARG A 87 1.888 8.294 -1.151 1.00 0.00 C ATOM 1401 O ARG A 87 2.956 8.879 -1.132 1.00 0.00 O ATOM 1402 CB ARG A 87 -0.434 9.216 -1.020 1.00 0.00 C ATOM 1403 CG ARG A 87 -1.565 8.179 -1.100 1.00 0.00 C ATOM 1404 CD ARG A 87 -1.844 7.573 0.276 1.00 0.00 C ATOM 1405 NE ARG A 87 -2.212 6.130 0.097 1.00 0.00 N ATOM 1406 CZ ARG A 87 -3.322 5.779 -0.495 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -3.453 5.912 -1.790 1.00 0.00 N ATOM 1408 NH2 ARG A 87 -4.309 5.290 0.211 1.00 0.00 N ATOM 0 H ARG A 87 1.009 9.490 1.754 1.00 0.00 H new ATOM 0 HA ARG A 87 0.437 7.789 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.807 10.133 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.099 9.473 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.470 8.650 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.293 7.390 -1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.965 7.663 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.653 8.111 0.770 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.582 5.407 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.685 6.292 -2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.323 5.636 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.210 5.184 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.177 5.015 -0.248 1.00 0.00 H new ATOM 1422 N VAL A 88 1.669 7.315 -1.988 1.00 0.00 N ATOM 1423 CA VAL A 88 2.735 6.911 -2.939 1.00 0.00 C ATOM 1424 C VAL A 88 2.106 6.372 -4.215 1.00 0.00 C ATOM 1425 O VAL A 88 2.185 5.207 -4.558 1.00 0.00 O ATOM 1426 CB VAL A 88 3.672 5.915 -2.273 1.00 0.00 C ATOM 1427 CG1 VAL A 88 4.633 5.316 -3.304 1.00 0.00 C ATOM 1428 CG2 VAL A 88 4.489 6.691 -1.257 1.00 0.00 C ATOM 0 H VAL A 88 0.801 6.782 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 88 3.339 7.774 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 88 3.100 5.109 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.297 4.605 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.062 4.804 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.224 6.112 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.179 6.015 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.054 7.473 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.822 7.144 -0.523 1.00 0.00 H new ATOM 1438 N LEU A 89 1.494 7.277 -4.911 1.00 0.00 N ATOM 1439 CA LEU A 89 0.833 6.985 -6.216 1.00 0.00 C ATOM 1440 C LEU A 89 1.874 6.392 -7.186 1.00 0.00 C ATOM 1441 O LEU A 89 2.520 7.110 -7.931 1.00 0.00 O ATOM 1442 CB LEU A 89 0.257 8.295 -6.817 1.00 0.00 C ATOM 1443 CG LEU A 89 0.987 9.577 -6.313 1.00 0.00 C ATOM 1444 CD1 LEU A 89 0.400 10.034 -4.972 1.00 0.00 C ATOM 1445 CD2 LEU A 89 2.508 9.365 -6.183 1.00 0.00 C ATOM 0 H LEU A 89 1.419 8.252 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 89 0.022 6.274 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.326 8.249 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.802 8.366 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 89 0.827 10.355 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.920 10.930 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.660 10.255 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.522 9.242 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.975 10.284 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.704 8.562 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.923 9.099 -7.155 1.00 0.00 H new ATOM 1457 N ALA A 90 2.063 5.092 -7.167 1.00 0.00 N ATOM 1458 CA ALA A 90 3.089 4.483 -8.067 1.00 0.00 C ATOM 1459 C ALA A 90 2.795 3.003 -8.341 1.00 0.00 C ATOM 1460 O ALA A 90 1.758 2.478 -7.971 1.00 0.00 O ATOM 1461 CB ALA A 90 4.450 4.607 -7.390 1.00 0.00 C ATOM 0 H ALA A 90 1.556 4.435 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 90 3.073 5.008 -9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.216 4.168 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.678 5.659 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.431 4.082 -6.435 1.00 0.00 H new ATOM 1467 N TYR A 91 3.717 2.335 -9.002 1.00 0.00 N ATOM 1468 CA TYR A 91 3.535 0.890 -9.333 1.00 0.00 C ATOM 1469 C TYR A 91 4.530 0.036 -8.547 1.00 0.00 C ATOM 1470 O TYR A 91 5.624 0.465 -8.224 1.00 0.00 O ATOM 1471 CB TYR A 91 3.742 0.687 -10.835 1.00 0.00 C ATOM 1472 CG TYR A 91 2.398 0.741 -11.518 1.00 0.00 C ATOM 1473 CD1 TYR A 91 1.516 1.792 -11.240 1.00 0.00 C ATOM 1474 CD2 TYR A 91 2.027 -0.265 -12.414 1.00 0.00 C ATOM 1475 CE1 TYR A 91 0.265 1.838 -11.856 1.00 0.00 C ATOM 1476 CE2 TYR A 91 0.775 -0.220 -13.034 1.00 0.00 C ATOM 1477 CZ TYR A 91 -0.109 0.832 -12.755 1.00 0.00 C ATOM 1478 OH TYR A 91 -1.346 0.875 -13.366 1.00 0.00 O ATOM 0 H TYR A 91 4.595 2.739 -9.327 1.00 0.00 H new ATOM 0 HA TYR A 91 2.526 0.583 -9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.400 1.459 -11.234 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.224 -0.272 -11.024 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.805 2.569 -10.547 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.707 -1.077 -12.627 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.414 2.649 -11.639 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.488 -0.996 -13.728 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.444 0.102 -13.960 1.00 0.00 H new ATOM 1488 N ILE A 92 4.140 -1.176 -8.238 1.00 0.00 N ATOM 1489 CA ILE A 92 5.024 -2.096 -7.469 1.00 0.00 C ATOM 1490 C ILE A 92 5.432 -3.258 -8.375 1.00 0.00 C ATOM 1491 O ILE A 92 4.638 -4.131 -8.680 1.00 0.00 O ATOM 1492 CB ILE A 92 4.264 -2.627 -6.244 1.00 0.00 C ATOM 1493 CG1 ILE A 92 3.627 -1.461 -5.478 1.00 0.00 C ATOM 1494 CG2 ILE A 92 5.232 -3.364 -5.320 1.00 0.00 C ATOM 1495 CD1 ILE A 92 4.692 -0.410 -5.154 1.00 0.00 C ATOM 0 H ILE A 92 3.233 -1.569 -8.491 1.00 0.00 H new ATOM 0 HA ILE A 92 5.915 -1.567 -7.131 1.00 0.00 H new ATOM 0 HB ILE A 92 3.483 -3.310 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.831 -1.014 -6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.170 -1.825 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.691 -3.740 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.682 -4.199 -5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.014 -2.679 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.234 0.416 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.473 -0.860 -4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.128 -0.037 -6.080 1.00 0.00 H new ATOM 1507 N TYR A 93 6.664 -3.266 -8.815 1.00 0.00 N ATOM 1508 CA TYR A 93 7.141 -4.358 -9.713 1.00 0.00 C ATOM 1509 C TYR A 93 7.834 -5.421 -8.877 1.00 0.00 C ATOM 1510 O TYR A 93 9.048 -5.448 -8.765 1.00 0.00 O ATOM 1511 CB TYR A 93 8.112 -3.780 -10.739 1.00 0.00 C ATOM 1512 CG TYR A 93 7.394 -2.763 -11.587 1.00 0.00 C ATOM 1513 CD1 TYR A 93 6.000 -2.814 -11.722 1.00 0.00 C ATOM 1514 CD2 TYR A 93 8.121 -1.772 -12.242 1.00 0.00 C ATOM 1515 CE1 TYR A 93 5.340 -1.877 -12.510 1.00 0.00 C ATOM 1516 CE2 TYR A 93 7.465 -0.833 -13.032 1.00 0.00 C ATOM 1517 CZ TYR A 93 6.071 -0.881 -13.170 1.00 0.00 C ATOM 1518 OH TYR A 93 5.420 0.050 -13.954 1.00 0.00 O ATOM 0 H TYR A 93 7.363 -2.559 -8.589 1.00 0.00 H new ATOM 0 HA TYR A 93 6.297 -4.807 -10.237 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.959 -3.316 -10.234 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.512 -4.576 -11.367 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.437 -3.582 -11.213 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.195 -1.732 -12.137 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.266 -1.917 -12.613 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.031 -0.066 -13.540 1.00 0.00 H new ATOM 0 HH TYR A 93 6.075 0.669 -14.338 1.00 0.00 H new ATOM 1528 N ALA A 94 7.069 -6.292 -8.278 1.00 0.00 N ATOM 1529 CA ALA A 94 7.670 -7.341 -7.436 1.00 0.00 C ATOM 1530 C ALA A 94 7.447 -8.718 -8.062 1.00 0.00 C ATOM 1531 O ALA A 94 6.323 -9.145 -8.261 1.00 0.00 O ATOM 1532 CB ALA A 94 7.043 -7.293 -6.044 1.00 0.00 C ATOM 0 H ALA A 94 6.051 -6.315 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 94 8.743 -7.166 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.486 -8.068 -5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.226 -6.316 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.969 -7.460 -6.123 1.00 0.00 H new ATOM 1538 N ASP A 95 8.524 -9.407 -8.360 1.00 0.00 N ATOM 1539 CA ASP A 95 8.445 -10.776 -8.972 1.00 0.00 C ATOM 1540 C ASP A 95 7.958 -10.681 -10.427 1.00 0.00 C ATOM 1541 O ASP A 95 8.693 -10.982 -11.349 1.00 0.00 O ATOM 1542 CB ASP A 95 7.495 -11.665 -8.154 1.00 0.00 C ATOM 1543 CG ASP A 95 7.674 -13.130 -8.568 1.00 0.00 C ATOM 1544 OD1 ASP A 95 8.510 -13.796 -7.978 1.00 0.00 O ATOM 1545 OD2 ASP A 95 6.970 -13.561 -9.467 1.00 0.00 O ATOM 0 H ASP A 95 9.474 -9.072 -8.202 1.00 0.00 H new ATOM 0 HA ASP A 95 9.440 -11.221 -8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.700 -11.550 -7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.462 -11.355 -8.315 1.00 0.00 H new ATOM 1550 N GLY A 96 6.727 -10.269 -10.639 1.00 0.00 N ATOM 1551 CA GLY A 96 6.187 -10.154 -12.030 1.00 0.00 C ATOM 1552 C GLY A 96 6.851 -8.984 -12.773 1.00 0.00 C ATOM 1553 O GLY A 96 6.818 -8.930 -13.989 1.00 0.00 O ATOM 0 H GLY A 96 6.072 -10.007 -9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.363 -11.083 -12.572 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.108 -10.005 -11.996 1.00 0.00 H new ATOM 1557 N LYS A 97 7.442 -8.043 -12.052 1.00 0.00 N ATOM 1558 CA LYS A 97 8.111 -6.861 -12.703 1.00 0.00 C ATOM 1559 C LYS A 97 7.068 -5.848 -13.214 1.00 0.00 C ATOM 1560 O LYS A 97 7.422 -4.775 -13.670 1.00 0.00 O ATOM 1561 CB LYS A 97 8.985 -7.324 -13.878 1.00 0.00 C ATOM 1562 CG LYS A 97 10.439 -6.912 -13.633 1.00 0.00 C ATOM 1563 CD LYS A 97 11.125 -7.951 -12.744 1.00 0.00 C ATOM 1564 CE LYS A 97 12.638 -7.727 -12.772 1.00 0.00 C ATOM 1565 NZ LYS A 97 13.321 -8.820 -12.023 1.00 0.00 N ATOM 0 H LYS A 97 7.487 -8.047 -11.033 1.00 0.00 H new ATOM 0 HA LYS A 97 8.735 -6.376 -11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.917 -8.406 -13.990 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.624 -6.884 -14.808 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.968 -6.825 -14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.474 -5.932 -13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.754 -7.873 -11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.889 -8.956 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.993 -7.702 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.881 -6.762 -12.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.349 -8.665 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.991 -8.824 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.100 -9.735 -12.465 1.00 0.00 H new ATOM 1579 N MET A 98 5.795 -6.173 -13.145 1.00 0.00 N ATOM 1580 CA MET A 98 4.738 -5.229 -13.626 1.00 0.00 C ATOM 1581 C MET A 98 3.357 -5.690 -13.122 1.00 0.00 C ATOM 1582 O MET A 98 2.345 -5.416 -13.742 1.00 0.00 O ATOM 1583 CB MET A 98 4.749 -5.199 -15.160 1.00 0.00 C ATOM 1584 CG MET A 98 4.327 -3.812 -15.650 1.00 0.00 C ATOM 1585 SD MET A 98 5.248 -3.396 -17.153 1.00 0.00 S ATOM 1586 CE MET A 98 6.676 -2.632 -16.344 1.00 0.00 C ATOM 0 H MET A 98 5.445 -7.056 -12.774 1.00 0.00 H new ATOM 0 HA MET A 98 4.939 -4.229 -13.240 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.745 -5.439 -15.531 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.071 -5.956 -15.553 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.256 -3.796 -15.851 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.517 -3.068 -14.877 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.590 -2.940 -16.852 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.583 -1.547 -16.391 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.716 -2.948 -15.302 1.00 0.00 H new ATOM 1596 N VAL A 99 3.317 -6.385 -11.998 1.00 0.00 N ATOM 1597 CA VAL A 99 2.024 -6.883 -11.423 1.00 0.00 C ATOM 1598 C VAL A 99 1.222 -7.688 -12.476 1.00 0.00 C ATOM 1599 O VAL A 99 0.030 -7.905 -12.327 1.00 0.00 O ATOM 1600 CB VAL A 99 1.222 -5.678 -10.885 1.00 0.00 C ATOM 1601 CG1 VAL A 99 0.141 -5.229 -11.880 1.00 0.00 C ATOM 1602 CG2 VAL A 99 0.561 -6.070 -9.562 1.00 0.00 C ATOM 0 H VAL A 99 4.142 -6.629 -11.451 1.00 0.00 H new ATOM 0 HA VAL A 99 2.226 -7.567 -10.599 1.00 0.00 H new ATOM 0 HB VAL A 99 1.911 -4.846 -10.738 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.403 -4.379 -11.467 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.610 -4.938 -12.820 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.552 -6.051 -12.060 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.008 -5.225 -9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.109 -6.914 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.329 -6.352 -8.841 1.00 0.00 H new