USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= -4.9! C(o=-3.8!,f=-1.4!) USER MOD Set 1.2: A 115 THR OG1 : rot -77:sc= 1.1 USER MOD Set 2.1: A 42 MET CE :methyl -145:sc= -0.0595 (180deg=0) USER MOD Set 2.2: A 56 ASN : amide:sc= -3.88! K(o=-3.9!,f=-1.6) USER MOD Single : A 10 GLN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.0319 (180deg=-0.305) USER MOD Single : A 17 SER OG : rot 22:sc= 0.09 USER MOD Single : A 19 SER OG : rot 70:sc= 0.0148 USER MOD Single : A 25 SER OG : rot 33:sc= 0.536 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 148:sc= -2.75 (180deg=-3.69!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -2.28! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -3.07! C(o=-3.1!,f=-12!) USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= 1.13 (180deg=0.557) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 43:sc= 0.331 USER MOD Single : A 69 SER OG : rot -140:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.54) USER MOD Single : A 80 SER OG : rot 29:sc= 0.00878 USER MOD Single : A 82 SER OG : rot -63:sc= 0.258 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -103:sc= -0.746 USER MOD Single : A 93 THR OG1 : rot -23:sc= 0.629 USER MOD Single : A 94 TYR OH : rot -42:sc= 0.845 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.304 USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= 1.04 (180deg=0.314) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -132:sc= 0.812 (180deg=-0.145) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00551) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -7.733 26.436 -4.691 1.00 0.00 N ATOM 67 CA GLU A 8 -7.426 26.085 -3.309 1.00 0.00 C ATOM 68 C GLU A 8 -6.739 24.725 -3.233 1.00 0.00 C ATOM 69 O GLU A 8 -6.722 23.970 -4.206 1.00 0.00 O ATOM 70 CB GLU A 8 -8.704 26.072 -2.467 1.00 0.00 C ATOM 71 CG GLU A 8 -9.674 24.967 -2.851 1.00 0.00 C ATOM 72 CD GLU A 8 -11.100 25.274 -2.436 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.828 25.904 -3.231 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.488 24.882 -1.315 1.00 0.00 O ATOM 0 HA GLU A 8 -6.746 26.838 -2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.436 25.960 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.205 27.035 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.638 24.815 -3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.357 24.033 -2.387 1.00 0.00 H new ATOM 81 N LEU A 9 -6.174 24.419 -2.070 1.00 0.00 N ATOM 82 CA LEU A 9 -5.485 23.150 -1.865 1.00 0.00 C ATOM 83 C LEU A 9 -6.302 21.990 -2.424 1.00 0.00 C ATOM 84 O LEU A 9 -7.521 22.085 -2.558 1.00 0.00 O ATOM 85 CB LEU A 9 -5.216 22.928 -0.375 1.00 0.00 C ATOM 86 CG LEU A 9 -4.943 21.485 0.050 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.155 21.451 1.350 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.248 20.715 0.195 1.00 0.00 C ATOM 0 H LEU A 9 -6.180 25.032 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.535 23.191 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.361 23.539 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.075 23.295 0.187 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.346 21.005 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.970 20.416 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.204 21.965 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.726 21.948 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.034 19.690 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.871 21.194 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.775 20.709 -0.759 1.00 0.00 H new ATOM 100 N GLN A 10 -5.621 20.895 -2.747 1.00 0.00 N ATOM 101 CA GLN A 10 -6.285 19.716 -3.291 1.00 0.00 C ATOM 102 C GLN A 10 -5.344 18.515 -3.296 1.00 0.00 C ATOM 103 O GLN A 10 -4.181 18.627 -3.683 1.00 0.00 O ATOM 104 CB GLN A 10 -6.783 19.994 -4.710 1.00 0.00 C ATOM 105 CG GLN A 10 -7.196 18.741 -5.466 1.00 0.00 C ATOM 106 CD GLN A 10 -8.481 18.137 -4.938 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.546 18.751 -5.012 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.389 16.926 -4.399 1.00 0.00 N ATOM 0 H GLN A 10 -4.611 20.800 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.138 19.484 -2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.632 20.675 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.998 20.503 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.320 18.983 -6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.398 18.002 -5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.486 16.453 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.221 16.469 -4.026 1.00 0.00 H new ATOM 117 N VAL A 11 -5.855 17.367 -2.862 1.00 0.00 N ATOM 118 CA VAL A 11 -5.061 16.145 -2.818 1.00 0.00 C ATOM 119 C VAL A 11 -4.947 15.513 -4.200 1.00 0.00 C ATOM 120 O VAL A 11 -5.933 15.413 -4.931 1.00 0.00 O ATOM 121 CB VAL A 11 -5.667 15.118 -1.844 1.00 0.00 C ATOM 122 CG1 VAL A 11 -7.179 15.064 -1.996 1.00 0.00 C ATOM 123 CG2 VAL A 11 -5.051 13.745 -2.067 1.00 0.00 C ATOM 0 H VAL A 11 -6.815 17.258 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.068 16.425 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.440 15.432 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.589 14.333 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.602 16.046 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.432 14.775 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.491 13.031 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.245 13.421 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.975 13.798 -1.901 1.00 0.00 H new ATOM 133 N ILE A 12 -3.738 15.088 -4.552 1.00 0.00 N ATOM 134 CA ILE A 12 -3.496 14.464 -5.847 1.00 0.00 C ATOM 135 C ILE A 12 -3.070 13.009 -5.684 1.00 0.00 C ATOM 136 O ILE A 12 -2.027 12.720 -5.097 1.00 0.00 O ATOM 137 CB ILE A 12 -2.414 15.218 -6.642 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.757 16.707 -6.726 1.00 0.00 C ATOM 139 CG2 ILE A 12 -2.269 14.623 -8.035 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.974 17.000 -7.575 1.00 0.00 C ATOM 0 H ILE A 12 -2.912 15.164 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.435 14.506 -6.398 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.462 15.112 -6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.925 17.090 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.902 17.246 -7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.501 15.167 -8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.984 13.574 -7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.218 14.702 -8.565 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.158 18.074 -7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.802 16.648 -8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.841 16.489 -7.156 1.00 0.00 H new ATOM 152 N GLN A 13 -3.882 12.097 -6.209 1.00 0.00 N ATOM 153 CA GLN A 13 -3.588 10.672 -6.123 1.00 0.00 C ATOM 154 C GLN A 13 -3.442 10.061 -7.513 1.00 0.00 C ATOM 155 O GLN A 13 -4.416 9.645 -8.141 1.00 0.00 O ATOM 156 CB GLN A 13 -4.690 9.948 -5.348 1.00 0.00 C ATOM 157 CG GLN A 13 -4.500 9.986 -3.841 1.00 0.00 C ATOM 158 CD GLN A 13 -5.080 8.769 -3.148 1.00 0.00 C ATOM 159 OE1 GLN A 13 -4.571 8.325 -2.119 1.00 0.00 O ATOM 160 NE2 GLN A 13 -6.152 8.222 -3.710 1.00 0.00 N ATOM 0 H GLN A 13 -4.749 12.320 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.643 10.553 -5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.652 10.397 -5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.730 8.909 -5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.436 10.055 -3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.970 10.885 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.541 8.623 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.586 7.401 -3.288 1.00 0.00 H new ATOM 169 N PRO A 14 -2.196 10.005 -8.007 1.00 0.00 N ATOM 170 CA PRO A 14 -1.893 9.447 -9.329 1.00 0.00 C ATOM 171 C PRO A 14 -2.085 7.935 -9.377 1.00 0.00 C ATOM 172 O PRO A 14 -2.628 7.400 -10.343 1.00 0.00 O ATOM 173 CB PRO A 14 -0.420 9.805 -9.536 1.00 0.00 C ATOM 174 CG PRO A 14 0.134 9.944 -8.160 1.00 0.00 C ATOM 175 CD PRO A 14 -0.988 10.482 -7.315 1.00 0.00 C ATOM 0 HA PRO A 14 -2.554 9.843 -10.100 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.101 9.028 -10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.313 10.731 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.482 8.983 -7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.989 10.620 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.936 10.107 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.961 11.570 -7.257 1.00 0.00 H new ATOM 183 N GLU A 15 -1.637 7.252 -8.328 1.00 0.00 N ATOM 184 CA GLU A 15 -1.760 5.801 -8.252 1.00 0.00 C ATOM 185 C GLU A 15 -3.226 5.382 -8.196 1.00 0.00 C ATOM 186 O GLU A 15 -3.792 5.203 -7.117 1.00 0.00 O ATOM 187 CB GLU A 15 -1.017 5.267 -7.025 1.00 0.00 C ATOM 188 CG GLU A 15 0.493 5.400 -7.123 1.00 0.00 C ATOM 189 CD GLU A 15 1.144 4.195 -7.775 1.00 0.00 C ATOM 190 OE1 GLU A 15 1.014 3.081 -7.226 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.782 4.367 -8.834 1.00 0.00 O ATOM 0 H GLU A 15 -1.186 7.680 -7.520 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.313 5.376 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.364 5.801 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.273 4.217 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.739 6.295 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.908 5.536 -6.124 1.00 0.00 H new ATOM 198 N LYS A 16 -3.836 5.227 -9.365 1.00 0.00 N ATOM 199 CA LYS A 16 -5.236 4.828 -9.452 1.00 0.00 C ATOM 200 C LYS A 16 -5.476 3.519 -8.706 1.00 0.00 C ATOM 201 O LYS A 16 -6.557 3.292 -8.163 1.00 0.00 O ATOM 202 CB LYS A 16 -5.656 4.677 -10.916 1.00 0.00 C ATOM 203 CG LYS A 16 -5.013 3.491 -11.614 1.00 0.00 C ATOM 204 CD LYS A 16 -5.887 2.966 -12.740 1.00 0.00 C ATOM 205 CE LYS A 16 -5.649 3.730 -14.033 1.00 0.00 C ATOM 206 NZ LYS A 16 -4.308 3.438 -14.611 1.00 0.00 N ATOM 0 H LYS A 16 -3.383 5.372 -10.267 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.839 5.608 -8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.740 4.573 -10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.398 5.589 -11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.042 3.785 -12.013 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.833 2.696 -10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.681 1.907 -12.899 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.936 3.048 -12.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.421 3.469 -14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.738 4.800 -13.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.309 3.671 -15.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.588 4.010 -14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.089 2.429 -14.488 1.00 0.00 H new ATOM 220 N SER A 17 -4.460 2.662 -8.682 1.00 0.00 N ATOM 221 CA SER A 17 -4.562 1.375 -8.005 1.00 0.00 C ATOM 222 C SER A 17 -3.180 0.763 -7.789 1.00 0.00 C ATOM 223 O SER A 17 -2.374 0.681 -8.716 1.00 0.00 O ATOM 224 CB SER A 17 -5.435 0.415 -8.815 1.00 0.00 C ATOM 225 OG SER A 17 -4.812 0.069 -10.040 1.00 0.00 O ATOM 0 H SER A 17 -3.557 2.836 -9.124 1.00 0.00 H new ATOM 0 HA SER A 17 -5.024 1.541 -7.032 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.626 -0.487 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.402 0.877 -9.013 1.00 0.00 H new ATOM 0 HG SER A 17 -3.846 0.218 -9.969 1.00 0.00 H new ATOM 231 N VAL A 18 -2.914 0.336 -6.559 1.00 0.00 N ATOM 232 CA VAL A 18 -1.632 -0.269 -6.221 1.00 0.00 C ATOM 233 C VAL A 18 -1.718 -1.791 -6.245 1.00 0.00 C ATOM 234 O VAL A 18 -2.800 -2.363 -6.114 1.00 0.00 O ATOM 235 CB VAL A 18 -1.147 0.185 -4.831 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.083 -0.606 -4.410 1.00 0.00 C ATOM 237 CG2 VAL A 18 -0.857 1.678 -4.830 1.00 0.00 C ATOM 0 H VAL A 18 -3.570 0.398 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.917 0.063 -6.974 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.939 -0.009 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.411 -0.272 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.163 -1.667 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.883 -0.447 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.516 1.982 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.083 1.899 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.765 2.225 -5.084 1.00 0.00 H new ATOM 247 N SER A 19 -0.571 -2.441 -6.411 1.00 0.00 N ATOM 248 CA SER A 19 -0.517 -3.897 -6.456 1.00 0.00 C ATOM 249 C SER A 19 0.631 -4.425 -5.600 1.00 0.00 C ATOM 250 O SER A 19 1.777 -4.001 -5.749 1.00 0.00 O ATOM 251 CB SER A 19 -0.356 -4.379 -7.899 1.00 0.00 C ATOM 252 OG SER A 19 -0.680 -5.753 -8.017 1.00 0.00 O ATOM 0 H SER A 19 0.334 -1.982 -6.517 1.00 0.00 H new ATOM 0 HA SER A 19 -1.454 -4.283 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.999 -3.793 -8.555 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.670 -4.215 -8.228 1.00 0.00 H new ATOM 0 HG SER A 19 -1.645 -5.873 -7.895 1.00 0.00 H new ATOM 258 N VAL A 20 0.314 -5.352 -4.702 1.00 0.00 N ATOM 259 CA VAL A 20 1.317 -5.940 -3.823 1.00 0.00 C ATOM 260 C VAL A 20 0.978 -7.389 -3.493 1.00 0.00 C ATOM 261 O VAL A 20 0.010 -7.944 -4.011 1.00 0.00 O ATOM 262 CB VAL A 20 1.449 -5.143 -2.511 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.470 -4.026 -2.664 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.097 -4.587 -2.088 1.00 0.00 C ATOM 0 H VAL A 20 -0.630 -5.712 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 20 2.266 -5.906 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 20 1.800 -5.818 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.549 -3.475 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.441 -4.452 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.153 -3.349 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.208 -4.027 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.285 -3.927 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.602 -5.409 -1.934 1.00 0.00 H new ATOM 274 N ALA A 21 1.783 -7.997 -2.627 1.00 0.00 N ATOM 275 CA ALA A 21 1.567 -9.381 -2.226 1.00 0.00 C ATOM 276 C ALA A 21 1.562 -9.518 -0.707 1.00 0.00 C ATOM 277 O ALA A 21 2.316 -8.838 -0.011 1.00 0.00 O ATOM 278 CB ALA A 21 2.633 -10.280 -2.835 1.00 0.00 C ATOM 0 H ALA A 21 2.590 -7.552 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 21 0.590 -9.692 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.459 -11.311 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.587 -10.214 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.617 -9.960 -2.493 1.00 0.00 H new ATOM 284 N ALA A 22 0.708 -10.401 -0.200 1.00 0.00 N ATOM 285 CA ALA A 22 0.607 -10.627 1.237 1.00 0.00 C ATOM 286 C ALA A 22 1.988 -10.716 1.877 1.00 0.00 C ATOM 287 O ALA A 22 2.656 -11.746 1.794 1.00 0.00 O ATOM 288 CB ALA A 22 -0.189 -11.893 1.516 1.00 0.00 C ATOM 0 H ALA A 22 0.076 -10.971 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 22 0.085 -9.778 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.257 -12.050 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.191 -11.792 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.310 -12.746 1.056 1.00 0.00 H new ATOM 294 N GLY A 23 2.410 -9.630 2.517 1.00 0.00 N ATOM 295 CA GLY A 23 3.710 -9.606 3.161 1.00 0.00 C ATOM 296 C GLY A 23 4.681 -8.666 2.474 1.00 0.00 C ATOM 297 O GLY A 23 5.869 -8.648 2.795 1.00 0.00 O ATOM 0 H GLY A 23 1.874 -8.766 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.591 -9.303 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.127 -10.613 3.168 1.00 0.00 H new ATOM 301 N GLU A 24 4.175 -7.885 1.525 1.00 0.00 N ATOM 302 CA GLU A 24 5.007 -6.940 0.790 1.00 0.00 C ATOM 303 C GLU A 24 4.802 -5.519 1.305 1.00 0.00 C ATOM 304 O GLU A 24 4.093 -5.299 2.286 1.00 0.00 O ATOM 305 CB GLU A 24 4.690 -7.004 -0.706 1.00 0.00 C ATOM 306 CG GLU A 24 5.030 -8.340 -1.344 1.00 0.00 C ATOM 307 CD GLU A 24 6.509 -8.664 -1.268 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.258 -8.234 -2.169 1.00 0.00 O ATOM 309 OE2 GLU A 24 6.917 -9.348 -0.306 1.00 0.00 O ATOM 0 H GLU A 24 3.194 -7.888 1.247 1.00 0.00 H new ATOM 0 HA GLU A 24 6.050 -7.216 0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.629 -6.800 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.240 -6.215 -1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.463 -9.129 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.718 -8.330 -2.388 1.00 0.00 H new ATOM 316 N SER A 25 5.429 -4.557 0.635 1.00 0.00 N ATOM 317 CA SER A 25 5.319 -3.156 1.027 1.00 0.00 C ATOM 318 C SER A 25 4.532 -2.362 -0.011 1.00 0.00 C ATOM 319 O SER A 25 4.958 -2.223 -1.157 1.00 0.00 O ATOM 320 CB SER A 25 6.710 -2.545 1.206 1.00 0.00 C ATOM 321 OG SER A 25 7.456 -2.612 0.003 1.00 0.00 O ATOM 0 H SER A 25 6.018 -4.722 -0.181 1.00 0.00 H new ATOM 0 HA SER A 25 4.784 -3.110 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.616 -1.506 1.522 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.243 -3.072 1.998 1.00 0.00 H new ATOM 0 HG SER A 25 6.851 -2.520 -0.763 1.00 0.00 H new ATOM 327 N ALA A 26 3.379 -1.843 0.400 1.00 0.00 N ATOM 328 CA ALA A 26 2.532 -1.061 -0.492 1.00 0.00 C ATOM 329 C ALA A 26 3.028 0.377 -0.600 1.00 0.00 C ATOM 330 O ALA A 26 3.793 0.846 0.244 1.00 0.00 O ATOM 331 CB ALA A 26 1.090 -1.089 -0.009 1.00 0.00 C ATOM 0 H ALA A 26 3.011 -1.950 1.345 1.00 0.00 H new ATOM 0 HA ALA A 26 2.580 -1.509 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.469 -0.501 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.732 -2.118 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.034 -0.668 0.995 1.00 0.00 H new ATOM 337 N THR A 27 2.589 1.073 -1.643 1.00 0.00 N ATOM 338 CA THR A 27 2.990 2.457 -1.862 1.00 0.00 C ATOM 339 C THR A 27 1.790 3.328 -2.217 1.00 0.00 C ATOM 340 O THR A 27 1.279 3.272 -3.337 1.00 0.00 O ATOM 341 CB THR A 27 4.039 2.567 -2.984 1.00 0.00 C ATOM 342 OG1 THR A 27 4.925 1.443 -2.938 1.00 0.00 O ATOM 343 CG2 THR A 27 4.839 3.855 -2.853 1.00 0.00 C ATOM 0 H THR A 27 1.955 0.701 -2.350 1.00 0.00 H new ATOM 0 HA THR A 27 3.428 2.810 -0.929 1.00 0.00 H new ATOM 0 HB THR A 27 3.516 2.578 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.588 1.519 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.574 3.910 -3.656 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.166 4.710 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.352 3.869 -1.891 1.00 0.00 H new ATOM 351 N LEU A 28 1.343 4.131 -1.258 1.00 0.00 N ATOM 352 CA LEU A 28 0.202 5.015 -1.470 1.00 0.00 C ATOM 353 C LEU A 28 0.663 6.444 -1.738 1.00 0.00 C ATOM 354 O LEU A 28 1.060 7.162 -0.820 1.00 0.00 O ATOM 355 CB LEU A 28 -0.724 4.985 -0.253 1.00 0.00 C ATOM 356 CG LEU A 28 -1.087 3.599 0.280 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.738 3.708 1.650 1.00 0.00 C ATOM 358 CD2 LEU A 28 -2.008 2.878 -0.694 1.00 0.00 C ATOM 0 H LEU A 28 1.753 4.188 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.345 4.660 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.252 5.549 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.646 5.506 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.170 3.018 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.990 2.712 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.046 4.184 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.646 4.307 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.256 1.893 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.922 3.457 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.506 2.767 -1.655 1.00 0.00 H new ATOM 370 N ARG A 29 0.606 6.852 -3.002 1.00 0.00 N ATOM 371 CA ARG A 29 1.016 8.196 -3.390 1.00 0.00 C ATOM 372 C ARG A 29 -0.017 9.228 -2.950 1.00 0.00 C ATOM 373 O ARG A 29 -1.207 8.928 -2.851 1.00 0.00 O ATOM 374 CB ARG A 29 1.217 8.273 -4.905 1.00 0.00 C ATOM 375 CG ARG A 29 2.600 7.835 -5.359 1.00 0.00 C ATOM 376 CD ARG A 29 3.000 8.513 -6.660 1.00 0.00 C ATOM 377 NE ARG A 29 4.336 8.116 -7.096 1.00 0.00 N ATOM 378 CZ ARG A 29 4.615 6.926 -7.617 1.00 0.00 C ATOM 379 NH1 ARG A 29 3.657 6.022 -7.765 1.00 0.00 N ATOM 380 NH2 ARG A 29 5.856 6.639 -7.991 1.00 0.00 N ATOM 0 H ARG A 29 0.280 6.271 -3.774 1.00 0.00 H new ATOM 0 HA ARG A 29 1.960 8.419 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.469 7.649 -5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.043 9.297 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.330 8.071 -4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.615 6.753 -5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.276 8.264 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.968 9.595 -6.530 1.00 0.00 H new ATOM 0 HE ARG A 29 5.096 8.789 -6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.702 6.239 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.874 5.109 -8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.596 7.332 -7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.070 5.725 -8.391 1.00 0.00 H new ATOM 394 N CYS A 30 0.446 10.446 -2.688 1.00 0.00 N ATOM 395 CA CYS A 30 -0.437 11.524 -2.257 1.00 0.00 C ATOM 396 C CYS A 30 0.329 12.838 -2.135 1.00 0.00 C ATOM 397 O CYS A 30 1.434 12.876 -1.594 1.00 0.00 O ATOM 398 CB CYS A 30 -1.088 11.173 -0.918 1.00 0.00 C ATOM 399 SG CYS A 30 -2.204 12.462 -0.274 1.00 0.00 S ATOM 0 H CYS A 30 1.428 10.711 -2.767 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.215 11.647 -3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.649 10.245 -1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.305 10.985 -0.183 1.00 0.00 H new ATOM 404 N ALA A 31 -0.267 13.913 -2.640 1.00 0.00 N ATOM 405 CA ALA A 31 0.357 15.229 -2.585 1.00 0.00 C ATOM 406 C ALA A 31 -0.691 16.336 -2.634 1.00 0.00 C ATOM 407 O ALA A 31 -1.655 16.258 -3.395 1.00 0.00 O ATOM 408 CB ALA A 31 1.350 15.390 -3.726 1.00 0.00 C ATOM 0 H ALA A 31 -1.181 13.898 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 31 0.891 15.311 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.809 16.377 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.123 14.626 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.831 15.282 -4.678 1.00 0.00 H new ATOM 414 N MET A 32 -0.496 17.365 -1.815 1.00 0.00 N ATOM 415 CA MET A 32 -1.425 18.488 -1.766 1.00 0.00 C ATOM 416 C MET A 32 -0.974 19.607 -2.699 1.00 0.00 C ATOM 417 O MET A 32 0.209 19.944 -2.756 1.00 0.00 O ATOM 418 CB MET A 32 -1.544 19.017 -0.335 1.00 0.00 C ATOM 419 CG MET A 32 -2.039 17.978 0.658 1.00 0.00 C ATOM 420 SD MET A 32 -3.570 17.186 0.128 1.00 0.00 S ATOM 421 CE MET A 32 -3.198 15.467 0.470 1.00 0.00 C ATOM 0 H MET A 32 0.296 17.444 -1.177 1.00 0.00 H new ATOM 0 HA MET A 32 -2.402 18.135 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.570 19.384 -0.010 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.224 19.869 -0.327 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.270 17.218 0.796 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.196 18.452 1.627 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.113 14.945 0.749 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.772 15.003 -0.420 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.482 15.406 1.289 1.00 0.00 H new ATOM 431 N THR A 33 -1.925 20.182 -3.429 1.00 0.00 N ATOM 432 CA THR A 33 -1.626 21.263 -4.360 1.00 0.00 C ATOM 433 C THR A 33 -1.085 22.485 -3.628 1.00 0.00 C ATOM 434 O THR A 33 -0.638 23.447 -4.252 1.00 0.00 O ATOM 435 CB THR A 33 -2.873 21.671 -5.167 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.935 22.033 -4.277 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.328 20.536 -6.072 1.00 0.00 C ATOM 0 H THR A 33 -2.909 19.917 -3.393 1.00 0.00 H new ATOM 0 HA THR A 33 -0.866 20.888 -5.046 1.00 0.00 H new ATOM 0 HB THR A 33 -2.612 22.527 -5.789 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.724 22.293 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.210 20.848 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.528 20.282 -6.767 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.573 19.663 -5.466 1.00 0.00 H new ATOM 445 N SER A 34 -1.130 22.442 -2.300 1.00 0.00 N ATOM 446 CA SER A 34 -0.647 23.549 -1.483 1.00 0.00 C ATOM 447 C SER A 34 -0.628 23.165 -0.006 1.00 0.00 C ATOM 448 O SER A 34 -1.203 22.151 0.392 1.00 0.00 O ATOM 449 CB SER A 34 -1.525 24.784 -1.689 1.00 0.00 C ATOM 450 OG SER A 34 -0.809 25.973 -1.400 1.00 0.00 O ATOM 0 H SER A 34 -1.496 21.653 -1.767 1.00 0.00 H new ATOM 0 HA SER A 34 0.372 23.781 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.883 24.812 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.404 24.720 -1.048 1.00 0.00 H new ATOM 0 HG SER A 34 -1.392 26.748 -1.541 1.00 0.00 H new ATOM 456 N LEU A 35 0.036 23.984 0.802 1.00 0.00 N ATOM 457 CA LEU A 35 0.131 23.732 2.236 1.00 0.00 C ATOM 458 C LEU A 35 -0.923 24.528 3.000 1.00 0.00 C ATOM 459 O LEU A 35 -0.953 24.516 4.231 1.00 0.00 O ATOM 460 CB LEU A 35 1.527 24.093 2.746 1.00 0.00 C ATOM 461 CG LEU A 35 2.697 23.397 2.049 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.958 24.242 2.150 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.929 22.017 2.644 1.00 0.00 C ATOM 0 H LEU A 35 0.516 24.828 0.489 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.048 22.670 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.660 25.170 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.574 23.862 3.810 1.00 0.00 H new ATOM 0 HG LEU A 35 2.447 23.278 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.780 23.731 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.788 25.208 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.211 24.394 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.765 21.537 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.156 22.112 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.032 21.411 2.518 1.00 0.00 H new ATOM 475 N ILE A 36 -1.787 25.216 2.261 1.00 0.00 N ATOM 476 CA ILE A 36 -2.844 26.015 2.869 1.00 0.00 C ATOM 477 C ILE A 36 -4.218 25.576 2.373 1.00 0.00 C ATOM 478 O ILE A 36 -4.430 25.340 1.184 1.00 0.00 O ATOM 479 CB ILE A 36 -2.659 27.514 2.572 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.260 27.971 2.994 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.726 28.331 3.284 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.854 27.482 4.366 1.00 0.00 C ATOM 0 H ILE A 36 -1.776 25.236 1.241 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.780 25.856 3.945 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.764 27.672 1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.535 27.617 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.222 29.060 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.581 29.389 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.712 28.020 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.650 28.170 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.148 27.843 4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.558 27.858 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.859 26.392 4.380 1.00 0.00 H new ATOM 494 N PRO A 37 -5.176 25.465 3.306 1.00 0.00 N ATOM 495 CA PRO A 37 -4.935 25.742 4.725 1.00 0.00 C ATOM 496 C PRO A 37 -4.041 24.693 5.377 1.00 0.00 C ATOM 497 O PRO A 37 -4.118 23.508 5.051 1.00 0.00 O ATOM 498 CB PRO A 37 -6.337 25.705 5.337 1.00 0.00 C ATOM 499 CG PRO A 37 -7.126 24.831 4.424 1.00 0.00 C ATOM 500 CD PRO A 37 -6.567 25.059 3.047 1.00 0.00 C ATOM 0 HA PRO A 37 -4.416 26.689 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.316 25.303 6.350 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.768 26.704 5.399 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.037 23.784 4.713 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.186 25.083 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.615 24.155 2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.118 25.833 2.513 1.00 0.00 H new ATOM 508 N VAL A 38 -3.194 25.135 6.301 1.00 0.00 N ATOM 509 CA VAL A 38 -2.286 24.234 7.001 1.00 0.00 C ATOM 510 C VAL A 38 -3.050 23.100 7.675 1.00 0.00 C ATOM 511 O VAL A 38 -4.209 23.258 8.056 1.00 0.00 O ATOM 512 CB VAL A 38 -1.459 24.983 8.062 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.304 25.270 9.294 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.218 24.183 8.431 1.00 0.00 C ATOM 0 H VAL A 38 -3.118 26.112 6.582 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.611 23.819 6.252 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.138 25.936 7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.702 25.800 10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.159 25.885 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.657 24.331 9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.355 24.727 9.182 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.516 23.214 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.396 24.034 7.543 1.00 0.00 H new ATOM 524 N GLY A 39 -2.391 21.954 7.821 1.00 0.00 N ATOM 525 CA GLY A 39 -3.024 20.809 8.450 1.00 0.00 C ATOM 526 C GLY A 39 -2.253 19.524 8.223 1.00 0.00 C ATOM 527 O GLY A 39 -1.575 19.352 7.210 1.00 0.00 O ATOM 0 H GLY A 39 -1.431 21.798 7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.115 20.991 9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.035 20.696 8.059 1.00 0.00 H new ATOM 531 N PRO A 40 -2.353 18.592 9.183 1.00 0.00 N ATOM 532 CA PRO A 40 -1.665 17.300 9.106 1.00 0.00 C ATOM 533 C PRO A 40 -2.253 16.394 8.030 1.00 0.00 C ATOM 534 O PRO A 40 -3.006 16.846 7.167 1.00 0.00 O ATOM 535 CB PRO A 40 -1.889 16.696 10.494 1.00 0.00 C ATOM 536 CG PRO A 40 -3.138 17.339 10.990 1.00 0.00 C ATOM 537 CD PRO A 40 -3.144 18.729 10.417 1.00 0.00 C ATOM 0 HA PRO A 40 -0.614 17.413 8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.995 15.612 10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.048 16.902 11.156 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.018 16.781 10.670 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.157 17.366 12.080 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.157 19.074 10.209 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.697 19.449 11.103 1.00 0.00 H new ATOM 545 N ILE A 41 -1.905 15.113 8.086 1.00 0.00 N ATOM 546 CA ILE A 41 -2.400 14.143 7.117 1.00 0.00 C ATOM 547 C ILE A 41 -2.808 12.842 7.800 1.00 0.00 C ATOM 548 O ILE A 41 -2.130 12.368 8.710 1.00 0.00 O ATOM 549 CB ILE A 41 -1.344 13.835 6.039 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.921 15.121 5.326 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.885 12.823 5.041 1.00 0.00 C ATOM 552 CD1 ILE A 41 -2.009 15.719 4.463 1.00 0.00 C ATOM 0 H ILE A 41 -1.282 14.722 8.793 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.273 14.590 6.641 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.467 13.405 6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.614 15.856 6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.049 14.913 4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.127 12.616 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.141 11.900 5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.776 13.227 4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.639 16.628 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.300 15.002 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.874 15.959 5.082 1.00 0.00 H new ATOM 564 N MET A 42 -3.920 12.269 7.351 1.00 0.00 N ATOM 565 CA MET A 42 -4.417 11.020 7.918 1.00 0.00 C ATOM 566 C MET A 42 -5.054 10.149 6.839 1.00 0.00 C ATOM 567 O MET A 42 -5.997 10.568 6.167 1.00 0.00 O ATOM 568 CB MET A 42 -5.434 11.306 9.024 1.00 0.00 C ATOM 569 CG MET A 42 -4.806 11.824 10.308 1.00 0.00 C ATOM 570 SD MET A 42 -6.006 12.016 11.640 1.00 0.00 S ATOM 571 CE MET A 42 -5.588 13.651 12.239 1.00 0.00 C ATOM 0 H MET A 42 -4.493 12.649 6.598 1.00 0.00 H new ATOM 0 HA MET A 42 -3.570 10.481 8.343 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.156 12.037 8.662 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.987 10.393 9.243 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.022 11.137 10.627 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.329 12.784 10.113 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.728 13.689 13.319 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.548 13.871 12.000 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.234 14.389 11.763 1.00 0.00 H new ATOM 581 N TRP A 43 -4.532 8.939 6.678 1.00 0.00 N ATOM 582 CA TRP A 43 -5.049 8.010 5.680 1.00 0.00 C ATOM 583 C TRP A 43 -6.198 7.184 6.249 1.00 0.00 C ATOM 584 O TRP A 43 -6.233 6.892 7.444 1.00 0.00 O ATOM 585 CB TRP A 43 -3.935 7.085 5.188 1.00 0.00 C ATOM 586 CG TRP A 43 -2.994 7.747 4.228 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.878 8.469 4.541 1.00 0.00 C ATOM 588 CD2 TRP A 43 -3.089 7.750 2.799 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.273 8.920 3.393 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.995 8.492 2.311 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.989 7.196 1.885 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.782 8.694 0.950 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.776 7.398 0.535 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.679 8.140 0.077 1.00 0.00 C ATOM 0 H TRP A 43 -3.751 8.578 7.226 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.426 8.592 4.839 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.370 6.720 6.046 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.381 6.215 4.707 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.523 8.658 5.543 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.423 9.483 3.353 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.836 6.620 2.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.938 9.268 0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.467 6.977 -0.180 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.539 8.277 -0.985 1.00 0.00 H new ATOM 605 N PHE A 44 -7.137 6.811 5.385 1.00 0.00 N ATOM 606 CA PHE A 44 -8.288 6.019 5.803 1.00 0.00 C ATOM 607 C PHE A 44 -8.798 5.154 4.654 1.00 0.00 C ATOM 608 O PHE A 44 -9.043 5.647 3.553 1.00 0.00 O ATOM 609 CB PHE A 44 -9.408 6.933 6.304 1.00 0.00 C ATOM 610 CG PHE A 44 -8.991 7.825 7.439 1.00 0.00 C ATOM 611 CD1 PHE A 44 -8.432 9.068 7.190 1.00 0.00 C ATOM 612 CD2 PHE A 44 -9.159 7.421 8.753 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.047 9.891 8.232 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.776 8.239 9.799 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.220 9.476 9.538 1.00 0.00 C ATOM 0 H PHE A 44 -7.123 7.044 4.392 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.972 5.365 6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.759 7.550 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.250 6.320 6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.296 9.398 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.594 6.455 8.963 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.611 10.857 8.025 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.911 7.911 10.819 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.921 10.118 10.354 1.00 0.00 H new ATOM 625 N ARG A 45 -8.956 3.861 4.920 1.00 0.00 N ATOM 626 CA ARG A 45 -9.435 2.926 3.909 1.00 0.00 C ATOM 627 C ARG A 45 -10.923 2.643 4.092 1.00 0.00 C ATOM 628 O ARG A 45 -11.336 2.067 5.098 1.00 0.00 O ATOM 629 CB ARG A 45 -8.643 1.619 3.977 1.00 0.00 C ATOM 630 CG ARG A 45 -9.050 0.605 2.920 1.00 0.00 C ATOM 631 CD ARG A 45 -8.837 -0.821 3.404 1.00 0.00 C ATOM 632 NE ARG A 45 -9.552 -1.088 4.649 1.00 0.00 N ATOM 633 CZ ARG A 45 -10.871 -1.221 4.726 1.00 0.00 C ATOM 634 NH1 ARG A 45 -11.616 -1.111 3.634 1.00 0.00 N ATOM 635 NH2 ARG A 45 -11.449 -1.463 5.895 1.00 0.00 N ATOM 0 H ARG A 45 -8.759 3.438 5.827 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.288 3.381 2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.582 1.841 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.774 1.175 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.099 0.749 2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.471 0.772 2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.172 -1.518 2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.772 -0.998 3.552 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.008 -1.177 5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.176 -0.924 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.629 -1.214 3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.880 -1.547 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.462 -1.565 5.952 1.00 0.00 H new ATOM 649 N GLY A 46 -11.723 3.053 3.113 1.00 0.00 N ATOM 650 CA GLY A 46 -13.156 2.835 3.186 1.00 0.00 C ATOM 651 C GLY A 46 -13.920 4.104 3.506 1.00 0.00 C ATOM 652 O GLY A 46 -14.803 4.105 4.364 1.00 0.00 O ATOM 0 H GLY A 46 -11.405 3.532 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.508 2.432 2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.368 2.085 3.948 1.00 0.00 H new ATOM 656 N ALA A 47 -13.579 5.189 2.818 1.00 0.00 N ATOM 657 CA ALA A 47 -14.239 6.470 3.034 1.00 0.00 C ATOM 658 C ALA A 47 -15.712 6.277 3.379 1.00 0.00 C ATOM 659 O ALA A 47 -16.361 5.357 2.883 1.00 0.00 O ATOM 660 CB ALA A 47 -14.094 7.352 1.803 1.00 0.00 C ATOM 0 H ALA A 47 -12.849 5.206 2.106 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.757 6.962 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.592 8.306 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.037 7.526 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.550 6.857 0.945 1.00 0.00 H new ATOM 690 N ARG A 51 -14.563 3.716 7.532 1.00 0.00 N ATOM 691 CA ARG A 51 -13.144 3.784 7.208 1.00 0.00 C ATOM 692 C ARG A 51 -12.291 3.601 8.460 1.00 0.00 C ATOM 693 O ARG A 51 -12.643 4.080 9.537 1.00 0.00 O ATOM 694 CB ARG A 51 -12.814 5.123 6.545 1.00 0.00 C ATOM 695 CG ARG A 51 -12.953 6.315 7.477 1.00 0.00 C ATOM 696 CD ARG A 51 -12.976 7.625 6.706 1.00 0.00 C ATOM 697 NE ARG A 51 -13.420 8.742 7.536 1.00 0.00 N ATOM 698 CZ ARG A 51 -13.407 10.007 7.134 1.00 0.00 C ATOM 699 NH1 ARG A 51 -12.976 10.316 5.919 1.00 0.00 N ATOM 700 NH2 ARG A 51 -13.827 10.968 7.948 1.00 0.00 N ATOM 0 HA ARG A 51 -12.917 2.976 6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.794 5.088 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.471 5.265 5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.869 6.218 8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.125 6.323 8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.979 7.835 6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.638 7.527 5.846 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.759 8.539 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.653 9.581 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.967 11.289 5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.160 10.735 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.817 11.940 7.638 1.00 0.00 H new ATOM 714 N GLU A 52 -11.169 2.904 8.309 1.00 0.00 N ATOM 715 CA GLU A 52 -10.267 2.657 9.428 1.00 0.00 C ATOM 716 C GLU A 52 -8.967 3.440 9.262 1.00 0.00 C ATOM 717 O GLU A 52 -8.302 3.349 8.230 1.00 0.00 O ATOM 718 CB GLU A 52 -9.963 1.162 9.546 1.00 0.00 C ATOM 719 CG GLU A 52 -8.966 0.829 10.643 1.00 0.00 C ATOM 720 CD GLU A 52 -9.572 0.918 12.030 1.00 0.00 C ATOM 721 OE1 GLU A 52 -10.651 0.326 12.244 1.00 0.00 O ATOM 722 OE2 GLU A 52 -8.968 1.579 12.901 1.00 0.00 O ATOM 0 H GLU A 52 -10.863 2.501 7.423 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.760 2.994 10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.892 0.625 9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.576 0.802 8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.579 -0.178 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.118 1.511 10.577 1.00 0.00 H new ATOM 729 N LEU A 53 -8.613 4.209 10.286 1.00 0.00 N ATOM 730 CA LEU A 53 -7.393 5.009 10.255 1.00 0.00 C ATOM 731 C LEU A 53 -6.189 4.152 9.876 1.00 0.00 C ATOM 732 O LEU A 53 -5.805 3.243 10.614 1.00 0.00 O ATOM 733 CB LEU A 53 -7.157 5.667 11.616 1.00 0.00 C ATOM 734 CG LEU A 53 -5.856 6.456 11.763 1.00 0.00 C ATOM 735 CD1 LEU A 53 -5.745 7.512 10.673 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.774 7.098 13.140 1.00 0.00 C ATOM 0 H LEU A 53 -9.153 4.296 11.147 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.515 5.785 9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.991 6.338 11.822 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.176 4.891 12.381 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.021 5.764 11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.813 8.063 10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.757 7.029 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.586 8.201 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.841 7.655 13.227 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.616 7.776 13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.806 6.323 13.905 1.00 0.00 H new ATOM 748 N ILE A 54 -5.597 4.449 8.725 1.00 0.00 N ATOM 749 CA ILE A 54 -4.435 3.707 8.250 1.00 0.00 C ATOM 750 C ILE A 54 -3.144 4.290 8.815 1.00 0.00 C ATOM 751 O ILE A 54 -2.283 3.559 9.306 1.00 0.00 O ATOM 752 CB ILE A 54 -4.356 3.708 6.712 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.545 2.951 6.118 1.00 0.00 C ATOM 754 CG2 ILE A 54 -3.044 3.093 6.249 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.713 1.555 6.677 1.00 0.00 C ATOM 0 H ILE A 54 -5.902 5.198 8.104 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.551 2.681 8.598 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.395 4.739 6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.456 3.520 6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.422 2.888 5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.003 3.101 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.210 3.671 6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.977 2.066 6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.575 1.078 6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.817 0.970 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.868 1.611 7.755 1.00 0.00 H new ATOM 767 N TYR A 55 -3.016 5.610 8.743 1.00 0.00 N ATOM 768 CA TYR A 55 -1.829 6.291 9.247 1.00 0.00 C ATOM 769 C TYR A 55 -2.177 7.687 9.756 1.00 0.00 C ATOM 770 O TYR A 55 -3.148 8.297 9.312 1.00 0.00 O ATOM 771 CB TYR A 55 -0.767 6.387 8.150 1.00 0.00 C ATOM 772 CG TYR A 55 0.471 7.147 8.571 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.455 6.539 9.341 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.656 8.473 8.200 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.587 7.229 9.729 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.785 9.171 8.582 1.00 0.00 C ATOM 777 CZ TYR A 55 2.748 8.545 9.346 1.00 0.00 C ATOM 778 OH TYR A 55 3.874 9.237 9.729 1.00 0.00 O ATOM 0 H TYR A 55 -3.719 6.230 8.341 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.432 5.709 10.079 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.479 5.381 7.845 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.202 6.873 7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.333 5.509 9.641 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.096 8.967 7.602 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.342 6.742 10.329 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.913 10.201 8.284 1.00 0.00 H new ATOM 0 HH TYR A 55 3.833 10.150 9.376 1.00 0.00 H new ATOM 788 N ASN A 56 -1.375 8.185 10.691 1.00 0.00 N ATOM 789 CA ASN A 56 -1.597 9.508 11.262 1.00 0.00 C ATOM 790 C ASN A 56 -0.288 10.288 11.352 1.00 0.00 C ATOM 791 O ASN A 56 0.665 9.847 11.992 1.00 0.00 O ATOM 792 CB ASN A 56 -2.228 9.388 12.651 1.00 0.00 C ATOM 793 CG ASN A 56 -3.058 10.604 13.016 1.00 0.00 C ATOM 794 OD1 ASN A 56 -4.160 10.480 13.550 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.530 11.788 12.728 1.00 0.00 N ATOM 0 H ASN A 56 -0.566 7.693 11.069 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.279 10.050 10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.857 8.498 12.686 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.442 9.252 13.394 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.042 12.642 12.950 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.613 11.843 12.285 1.00 0.00 H new ATOM 802 N GLN A 57 -0.253 11.450 10.706 1.00 0.00 N ATOM 803 CA GLN A 57 0.938 12.291 10.713 1.00 0.00 C ATOM 804 C GLN A 57 1.074 13.032 12.039 1.00 0.00 C ATOM 805 O GLN A 57 2.088 12.916 12.727 1.00 0.00 O ATOM 806 CB GLN A 57 0.888 13.292 9.558 1.00 0.00 C ATOM 807 CG GLN A 57 2.233 13.927 9.245 1.00 0.00 C ATOM 808 CD GLN A 57 2.498 15.171 10.071 1.00 0.00 C ATOM 809 OE1 GLN A 57 2.124 15.243 11.242 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.147 16.158 9.464 1.00 0.00 N ATOM 0 H GLN A 57 -1.035 11.830 10.172 1.00 0.00 H new ATOM 0 HA GLN A 57 1.808 11.646 10.588 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.518 12.787 8.666 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.172 14.078 9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.025 13.200 9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.272 14.183 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.438 16.055 8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.354 17.019 9.970 1.00 0.00 H new ATOM 819 N LYS A 58 0.044 13.794 12.393 1.00 0.00 N ATOM 820 CA LYS A 58 0.047 14.555 13.637 1.00 0.00 C ATOM 821 C LYS A 58 0.810 13.811 14.728 1.00 0.00 C ATOM 822 O LYS A 58 1.758 14.342 15.306 1.00 0.00 O ATOM 823 CB LYS A 58 -1.388 14.824 14.097 1.00 0.00 C ATOM 824 CG LYS A 58 -1.476 15.471 15.468 1.00 0.00 C ATOM 825 CD LYS A 58 -2.734 16.312 15.608 1.00 0.00 C ATOM 826 CE LYS A 58 -3.948 15.451 15.919 1.00 0.00 C ATOM 827 NZ LYS A 58 -5.159 16.276 16.187 1.00 0.00 N ATOM 0 H LYS A 58 -0.804 13.901 11.836 1.00 0.00 H new ATOM 0 HA LYS A 58 0.548 15.505 13.451 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.879 15.469 13.368 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.938 13.883 14.113 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.466 14.699 16.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.599 16.097 15.633 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.595 17.047 16.401 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.907 16.867 14.686 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.143 14.782 15.081 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.736 14.824 16.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.805 15.752 16.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.878 17.166 16.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.641 16.487 15.290 1.00 0.00 H new ATOM 841 N GLU A 59 0.392 12.580 15.002 1.00 0.00 N ATOM 842 CA GLU A 59 1.038 11.764 16.024 1.00 0.00 C ATOM 843 C GLU A 59 0.756 10.282 15.795 1.00 0.00 C ATOM 844 O GLU A 59 -0.132 9.919 15.025 1.00 0.00 O ATOM 845 CB GLU A 59 0.558 12.177 17.417 1.00 0.00 C ATOM 846 CG GLU A 59 -0.943 12.046 17.607 1.00 0.00 C ATOM 847 CD GLU A 59 -1.343 11.988 19.069 1.00 0.00 C ATOM 848 OE1 GLU A 59 -0.589 11.392 19.866 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.410 12.538 19.415 1.00 0.00 O ATOM 0 H GLU A 59 -0.390 12.126 14.531 1.00 0.00 H new ATOM 0 HA GLU A 59 2.114 11.926 15.956 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.065 11.565 18.163 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.850 13.211 17.601 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.441 12.891 17.131 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.292 11.145 17.103 1.00 0.00 H new ATOM 856 N GLY A 60 1.519 9.429 16.471 1.00 0.00 N ATOM 857 CA GLY A 60 1.337 7.996 16.329 1.00 0.00 C ATOM 858 C GLY A 60 2.577 7.304 15.798 1.00 0.00 C ATOM 859 O GLY A 60 3.136 7.710 14.779 1.00 0.00 O ATOM 0 H GLY A 60 2.260 9.705 17.115 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.072 7.569 17.296 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.501 7.804 15.656 1.00 0.00 H new ATOM 863 N HIS A 61 3.010 6.256 16.492 1.00 0.00 N ATOM 864 CA HIS A 61 4.193 5.506 16.085 1.00 0.00 C ATOM 865 C HIS A 61 3.818 4.371 15.137 1.00 0.00 C ATOM 866 O HIS A 61 3.231 3.371 15.550 1.00 0.00 O ATOM 867 CB HIS A 61 4.913 4.944 17.311 1.00 0.00 C ATOM 868 CG HIS A 61 6.214 4.275 16.988 1.00 0.00 C ATOM 869 ND1 HIS A 61 6.453 2.939 17.231 1.00 0.00 N ATOM 870 CD2 HIS A 61 7.348 4.765 16.436 1.00 0.00 C ATOM 871 CE1 HIS A 61 7.679 2.636 16.844 1.00 0.00 C ATOM 872 NE2 HIS A 61 8.244 3.727 16.357 1.00 0.00 N ATOM 0 H HIS A 61 2.560 5.907 17.338 1.00 0.00 H new ATOM 0 HA HIS A 61 4.862 6.188 15.560 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.096 5.754 18.017 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.260 4.228 17.809 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.517 5.783 16.117 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.141 1.662 16.914 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.191 3.788 15.983 1.00 0.00 H new ATOM 881 N PHE A 62 4.159 4.534 13.863 1.00 0.00 N ATOM 882 CA PHE A 62 3.857 3.525 12.855 1.00 0.00 C ATOM 883 C PHE A 62 5.137 2.976 12.233 1.00 0.00 C ATOM 884 O PHE A 62 5.729 3.577 11.336 1.00 0.00 O ATOM 885 CB PHE A 62 2.959 4.114 11.765 1.00 0.00 C ATOM 886 CG PHE A 62 1.551 4.370 12.221 1.00 0.00 C ATOM 887 CD1 PHE A 62 0.583 3.385 12.108 1.00 0.00 C ATOM 888 CD2 PHE A 62 1.196 5.594 12.763 1.00 0.00 C ATOM 889 CE1 PHE A 62 -0.714 3.617 12.526 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.099 5.832 13.184 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.055 4.842 13.066 1.00 0.00 C ATOM 0 H PHE A 62 4.645 5.356 13.504 1.00 0.00 H new ATOM 0 HA PHE A 62 3.332 2.705 13.345 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.394 5.049 11.413 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.939 3.432 10.915 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.845 2.425 11.688 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.940 6.372 12.858 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.460 2.842 12.431 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.363 6.791 13.605 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.067 5.025 13.395 1.00 0.00 H new ATOM 901 N PRO A 63 5.577 1.806 12.721 1.00 0.00 N ATOM 902 CA PRO A 63 6.792 1.149 12.228 1.00 0.00 C ATOM 903 C PRO A 63 6.625 0.609 10.812 1.00 0.00 C ATOM 904 O PRO A 63 7.506 0.771 9.968 1.00 0.00 O ATOM 905 CB PRO A 63 7.000 0.001 13.218 1.00 0.00 C ATOM 906 CG PRO A 63 5.642 -0.286 13.758 1.00 0.00 C ATOM 907 CD PRO A 63 4.922 1.034 13.790 1.00 0.00 C ATOM 0 HA PRO A 63 7.634 1.838 12.171 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.423 -0.874 12.725 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.690 0.284 14.013 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.115 -1.003 13.128 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.703 -0.722 14.755 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.855 0.914 13.603 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.023 1.523 14.759 1.00 0.00 H new ATOM 915 N ARG A 64 5.490 -0.034 10.559 1.00 0.00 N ATOM 916 CA ARG A 64 5.208 -0.600 9.245 1.00 0.00 C ATOM 917 C ARG A 64 5.186 0.491 8.178 1.00 0.00 C ATOM 918 O ARG A 64 5.753 0.328 7.097 1.00 0.00 O ATOM 919 CB ARG A 64 3.870 -1.340 9.261 1.00 0.00 C ATOM 920 CG ARG A 64 3.956 -2.741 9.846 1.00 0.00 C ATOM 921 CD ARG A 64 2.612 -3.200 10.392 1.00 0.00 C ATOM 922 NE ARG A 64 1.498 -2.720 9.578 1.00 0.00 N ATOM 923 CZ ARG A 64 0.226 -2.802 9.952 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.091 -3.342 11.121 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.731 -2.344 9.157 1.00 0.00 N ATOM 0 H ARG A 64 4.750 -0.176 11.247 1.00 0.00 H new ATOM 0 HA ARG A 64 6.002 -1.306 9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.150 -0.759 9.837 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.487 -1.404 8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.295 -3.437 9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.699 -2.759 10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.589 -4.289 10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.495 -2.842 11.415 1.00 0.00 H new ATOM 0 HE ARG A 64 1.708 -2.299 8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.643 -3.695 11.735 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.068 -3.404 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.491 -1.928 8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.707 -2.408 9.445 1.00 0.00 H new ATOM 939 N VAL A 65 4.526 1.602 8.488 1.00 0.00 N ATOM 940 CA VAL A 65 4.429 2.719 7.556 1.00 0.00 C ATOM 941 C VAL A 65 5.721 3.529 7.534 1.00 0.00 C ATOM 942 O VAL A 65 6.152 4.062 8.557 1.00 0.00 O ATOM 943 CB VAL A 65 3.258 3.652 7.918 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.096 4.738 6.866 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.972 2.855 8.076 1.00 0.00 C ATOM 0 H VAL A 65 4.050 1.753 9.378 1.00 0.00 H new ATOM 0 HA VAL A 65 4.253 2.293 6.568 1.00 0.00 H new ATOM 0 HB VAL A 65 3.480 4.133 8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.264 5.387 7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.012 5.327 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.896 4.279 5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.155 3.530 8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.742 2.345 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.096 2.118 8.870 1.00 0.00 H new ATOM 955 N THR A 66 6.337 3.617 6.359 1.00 0.00 N ATOM 956 CA THR A 66 7.580 4.361 6.201 1.00 0.00 C ATOM 957 C THR A 66 7.368 5.615 5.361 1.00 0.00 C ATOM 958 O THR A 66 7.130 5.535 4.156 1.00 0.00 O ATOM 959 CB THR A 66 8.673 3.496 5.546 1.00 0.00 C ATOM 960 OG1 THR A 66 8.857 2.289 6.294 1.00 0.00 O ATOM 961 CG2 THR A 66 9.989 4.255 5.467 1.00 0.00 C ATOM 0 H THR A 66 5.995 3.182 5.502 1.00 0.00 H new ATOM 0 HA THR A 66 7.905 4.648 7.201 1.00 0.00 H new ATOM 0 HB THR A 66 8.352 3.250 4.534 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.552 1.744 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.746 3.624 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.853 5.158 4.872 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.313 4.528 6.472 1.00 0.00 H new ATOM 969 N THR A 67 7.457 6.775 6.005 1.00 0.00 N ATOM 970 CA THR A 67 7.274 8.047 5.316 1.00 0.00 C ATOM 971 C THR A 67 8.259 8.193 4.162 1.00 0.00 C ATOM 972 O THR A 67 9.459 8.367 4.374 1.00 0.00 O ATOM 973 CB THR A 67 7.449 9.237 6.279 1.00 0.00 C ATOM 974 OG1 THR A 67 8.670 9.097 7.013 1.00 0.00 O ATOM 975 CG2 THR A 67 6.278 9.327 7.245 1.00 0.00 C ATOM 0 H THR A 67 7.655 6.860 7.002 1.00 0.00 H new ATOM 0 HA THR A 67 6.257 8.052 4.925 1.00 0.00 H new ATOM 0 HB THR A 67 7.484 10.153 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.383 8.801 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.423 10.174 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.353 9.462 6.684 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.217 8.409 7.829 1.00 0.00 H new ATOM 983 N VAL A 68 7.743 8.123 2.938 1.00 0.00 N ATOM 984 CA VAL A 68 8.577 8.250 1.749 1.00 0.00 C ATOM 985 C VAL A 68 9.341 9.569 1.752 1.00 0.00 C ATOM 986 O VAL A 68 10.556 9.596 1.555 1.00 0.00 O ATOM 987 CB VAL A 68 7.737 8.158 0.462 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.602 8.423 -0.761 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.061 6.799 0.363 1.00 0.00 C ATOM 0 H VAL A 68 6.752 7.979 2.745 1.00 0.00 H new ATOM 0 HA VAL A 68 9.287 7.423 1.770 1.00 0.00 H new ATOM 0 HB VAL A 68 6.961 8.922 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.991 8.354 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.034 9.421 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.402 7.684 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.472 6.752 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.819 6.016 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.407 6.654 1.223 1.00 0.00 H new ATOM 999 N SER A 69 8.621 10.664 1.976 1.00 0.00 N ATOM 1000 CA SER A 69 9.230 11.988 2.001 1.00 0.00 C ATOM 1001 C SER A 69 9.387 12.487 3.434 1.00 0.00 C ATOM 1002 O SER A 69 8.757 11.969 4.355 1.00 0.00 O ATOM 1003 CB SER A 69 8.385 12.977 1.195 1.00 0.00 C ATOM 1004 OG SER A 69 8.730 12.941 -0.179 1.00 0.00 O ATOM 0 H SER A 69 7.615 10.660 2.143 1.00 0.00 H new ATOM 0 HA SER A 69 10.219 11.914 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.328 12.739 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.530 13.985 1.583 1.00 0.00 H new ATOM 0 HG SER A 69 8.730 13.852 -0.540 1.00 0.00 H new ATOM 1010 N GLU A 70 10.233 13.496 3.613 1.00 0.00 N ATOM 1011 CA GLU A 70 10.475 14.065 4.934 1.00 0.00 C ATOM 1012 C GLU A 70 9.470 15.171 5.243 1.00 0.00 C ATOM 1013 O GLU A 70 9.449 16.209 4.580 1.00 0.00 O ATOM 1014 CB GLU A 70 11.899 14.615 5.024 1.00 0.00 C ATOM 1015 CG GLU A 70 12.338 14.940 6.442 1.00 0.00 C ATOM 1016 CD GLU A 70 12.148 13.774 7.393 1.00 0.00 C ATOM 1017 OE1 GLU A 70 11.000 13.548 7.831 1.00 0.00 O ATOM 1018 OE2 GLU A 70 13.146 13.089 7.700 1.00 0.00 O ATOM 0 H GLU A 70 10.762 13.936 2.860 1.00 0.00 H new ATOM 0 HA GLU A 70 10.353 13.271 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.588 13.886 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.970 15.516 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.388 15.231 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.772 15.797 6.806 1.00 0.00 H new ATOM 1025 N LEU A 71 8.637 14.940 6.252 1.00 0.00 N ATOM 1026 CA LEU A 71 7.628 15.916 6.649 1.00 0.00 C ATOM 1027 C LEU A 71 8.265 17.086 7.393 1.00 0.00 C ATOM 1028 O LEU A 71 8.045 18.248 7.050 1.00 0.00 O ATOM 1029 CB LEU A 71 6.567 15.253 7.530 1.00 0.00 C ATOM 1030 CG LEU A 71 6.037 13.905 7.041 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.236 13.218 8.136 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.187 14.087 5.791 1.00 0.00 C ATOM 0 H LEU A 71 8.640 14.086 6.810 1.00 0.00 H new ATOM 0 HA LEU A 71 7.153 16.299 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.985 15.117 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.725 15.938 7.628 1.00 0.00 H new ATOM 0 HG LEU A 71 6.888 13.272 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.867 12.260 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.874 13.053 9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.393 13.848 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.818 13.117 5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.342 14.738 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.791 14.536 5.003 1.00 0.00 H new ATOM 1118 N ASN A 76 7.039 20.753 2.082 1.00 0.00 N ATOM 1119 CA ASN A 76 6.818 19.368 1.682 1.00 0.00 C ATOM 1120 C ASN A 76 5.362 19.142 1.286 1.00 0.00 C ATOM 1121 O ASN A 76 4.443 19.566 1.988 1.00 0.00 O ATOM 1122 CB ASN A 76 7.201 18.419 2.819 1.00 0.00 C ATOM 1123 CG ASN A 76 6.048 18.159 3.769 1.00 0.00 C ATOM 1124 OD1 ASN A 76 5.575 19.067 4.453 1.00 0.00 O ATOM 1125 ND2 ASN A 76 5.589 16.914 3.815 1.00 0.00 N ATOM 0 HA ASN A 76 7.448 19.161 0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.543 17.473 2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.038 18.842 3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.814 16.679 4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.011 16.193 3.230 1.00 0.00 H new ATOM 1132 N LEU A 77 5.159 18.471 0.157 1.00 0.00 N ATOM 1133 CA LEU A 77 3.815 18.187 -0.333 1.00 0.00 C ATOM 1134 C LEU A 77 3.612 16.688 -0.530 1.00 0.00 C ATOM 1135 O LEU A 77 2.501 16.178 -0.386 1.00 0.00 O ATOM 1136 CB LEU A 77 3.564 18.924 -1.650 1.00 0.00 C ATOM 1137 CG LEU A 77 3.455 20.447 -1.557 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.630 21.079 -2.928 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.119 20.849 -0.948 1.00 0.00 C ATOM 0 H LEU A 77 5.908 18.114 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 77 3.102 18.537 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.372 18.679 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.643 18.540 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 77 4.252 20.811 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.549 22.163 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.611 20.819 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.856 20.710 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.058 21.936 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.307 20.473 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.033 20.426 0.053 1.00 0.00 H new ATOM 1151 N ASP A 78 4.692 15.988 -0.858 1.00 0.00 N ATOM 1152 CA ASP A 78 4.634 14.547 -1.071 1.00 0.00 C ATOM 1153 C ASP A 78 4.336 13.816 0.235 1.00 0.00 C ATOM 1154 O ASP A 78 5.244 13.509 1.008 1.00 0.00 O ATOM 1155 CB ASP A 78 5.952 14.044 -1.662 1.00 0.00 C ATOM 1156 CG ASP A 78 5.932 14.012 -3.178 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.244 13.138 -3.743 1.00 0.00 O ATOM 1158 OD2 ASP A 78 6.605 14.862 -3.798 1.00 0.00 O ATOM 0 H ASP A 78 5.619 16.395 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 78 3.827 14.341 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.766 14.686 -1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.158 13.043 -1.283 1.00 0.00 H new ATOM 1163 N PHE A 79 3.058 13.542 0.475 1.00 0.00 N ATOM 1164 CA PHE A 79 2.640 12.849 1.688 1.00 0.00 C ATOM 1165 C PHE A 79 2.459 11.356 1.427 1.00 0.00 C ATOM 1166 O PHE A 79 1.670 10.689 2.096 1.00 0.00 O ATOM 1167 CB PHE A 79 1.335 13.447 2.218 1.00 0.00 C ATOM 1168 CG PHE A 79 1.493 14.836 2.768 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.159 15.050 3.964 1.00 0.00 C ATOM 1170 CD2 PHE A 79 0.975 15.927 2.089 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.304 16.327 4.473 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.118 17.206 2.593 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.784 17.406 3.786 1.00 0.00 C ATOM 0 H PHE A 79 2.294 13.789 -0.154 1.00 0.00 H new ATOM 0 HA PHE A 79 3.421 12.977 2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.600 13.465 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.938 12.798 2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.569 14.210 4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.454 15.776 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.824 16.481 5.407 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.709 18.048 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.898 18.405 4.181 1.00 0.00 H new ATOM 1183 N SER A 80 3.195 10.839 0.449 1.00 0.00 N ATOM 1184 CA SER A 80 3.114 9.427 0.095 1.00 0.00 C ATOM 1185 C SER A 80 3.667 8.553 1.217 1.00 0.00 C ATOM 1186 O SER A 80 4.670 8.893 1.846 1.00 0.00 O ATOM 1187 CB SER A 80 3.881 9.158 -1.201 1.00 0.00 C ATOM 1188 OG SER A 80 3.765 7.801 -1.591 1.00 0.00 O ATOM 0 H SER A 80 3.855 11.377 -0.113 1.00 0.00 H new ATOM 0 HA SER A 80 2.064 9.176 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.499 9.801 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.932 9.412 -1.064 1.00 0.00 H new ATOM 0 HG SER A 80 2.912 7.441 -1.271 1.00 0.00 H new ATOM 1194 N ILE A 81 3.006 7.427 1.462 1.00 0.00 N ATOM 1195 CA ILE A 81 3.432 6.504 2.506 1.00 0.00 C ATOM 1196 C ILE A 81 3.588 5.089 1.960 1.00 0.00 C ATOM 1197 O ILE A 81 3.136 4.785 0.855 1.00 0.00 O ATOM 1198 CB ILE A 81 2.434 6.482 3.679 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.013 6.242 3.163 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.507 7.784 4.461 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.093 5.624 4.193 1.00 0.00 C ATOM 0 H ILE A 81 2.174 7.132 0.952 1.00 0.00 H new ATOM 0 HA ILE A 81 4.397 6.860 2.867 1.00 0.00 H new ATOM 0 HB ILE A 81 2.700 5.664 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.590 7.191 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.057 5.591 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.796 7.753 5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.515 7.916 4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.263 8.618 3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.897 5.482 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.493 4.660 4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.019 6.284 5.057 1.00 0.00 H new ATOM 1213 N SER A 82 4.229 4.225 2.741 1.00 0.00 N ATOM 1214 CA SER A 82 4.446 2.842 2.335 1.00 0.00 C ATOM 1215 C SER A 82 4.232 1.891 3.508 1.00 0.00 C ATOM 1216 O SER A 82 4.981 1.915 4.485 1.00 0.00 O ATOM 1217 CB SER A 82 5.859 2.669 1.774 1.00 0.00 C ATOM 1218 OG SER A 82 5.889 2.920 0.380 1.00 0.00 O ATOM 0 H SER A 82 4.607 4.459 3.659 1.00 0.00 H new ATOM 0 HA SER A 82 3.722 2.600 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.542 3.349 2.284 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.211 1.656 1.972 1.00 0.00 H new ATOM 0 HG SER A 82 5.324 2.266 -0.082 1.00 0.00 H new ATOM 1224 N ILE A 83 3.205 1.055 3.404 1.00 0.00 N ATOM 1225 CA ILE A 83 2.892 0.095 4.456 1.00 0.00 C ATOM 1226 C ILE A 83 3.569 -1.246 4.195 1.00 0.00 C ATOM 1227 O ILE A 83 3.310 -1.897 3.182 1.00 0.00 O ATOM 1228 CB ILE A 83 1.373 -0.125 4.584 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.659 1.210 4.807 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.072 -1.090 5.721 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.829 1.151 4.541 1.00 0.00 C ATOM 0 H ILE A 83 2.575 1.023 2.602 1.00 0.00 H new ATOM 0 HA ILE A 83 3.269 0.514 5.389 1.00 0.00 H new ATOM 0 HB ILE A 83 1.004 -0.562 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.824 1.534 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.106 1.965 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.005 -1.236 5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.554 -2.047 5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.451 -0.679 6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.270 2.132 4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.002 0.858 3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.289 0.420 5.207 1.00 0.00 H new ATOM 1243 N SER A 84 4.436 -1.655 5.115 1.00 0.00 N ATOM 1244 CA SER A 84 5.152 -2.919 4.984 1.00 0.00 C ATOM 1245 C SER A 84 4.348 -4.064 5.592 1.00 0.00 C ATOM 1246 O SER A 84 3.478 -3.847 6.434 1.00 0.00 O ATOM 1247 CB SER A 84 6.521 -2.826 5.660 1.00 0.00 C ATOM 1248 OG SER A 84 7.286 -3.995 5.424 1.00 0.00 O ATOM 0 H SER A 84 4.660 -1.129 5.960 1.00 0.00 H new ATOM 0 HA SER A 84 5.292 -3.121 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.057 -1.955 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.392 -2.683 6.733 1.00 0.00 H new ATOM 0 HG SER A 84 8.157 -3.910 5.865 1.00 0.00 H new ATOM 1254 N ASN A 85 4.648 -5.284 5.158 1.00 0.00 N ATOM 1255 CA ASN A 85 3.953 -6.465 5.659 1.00 0.00 C ATOM 1256 C ASN A 85 2.460 -6.388 5.355 1.00 0.00 C ATOM 1257 O ASN A 85 1.626 -6.606 6.234 1.00 0.00 O ATOM 1258 CB ASN A 85 4.171 -6.609 7.167 1.00 0.00 C ATOM 1259 CG ASN A 85 4.021 -8.043 7.638 1.00 0.00 C ATOM 1260 OD1 ASN A 85 4.847 -8.901 7.325 1.00 0.00 O ATOM 1261 ND2 ASN A 85 2.963 -8.309 8.395 1.00 0.00 N ATOM 0 H ASN A 85 5.367 -5.481 4.461 1.00 0.00 H new ATOM 0 HA ASN A 85 4.364 -7.339 5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.167 -6.247 7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.457 -5.979 7.697 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.809 -9.256 8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.304 -7.567 8.630 1.00 0.00 H new ATOM 1268 N ILE A 86 2.132 -6.077 4.106 1.00 0.00 N ATOM 1269 CA ILE A 86 0.740 -5.974 3.686 1.00 0.00 C ATOM 1270 C ILE A 86 -0.011 -7.275 3.945 1.00 0.00 C ATOM 1271 O ILE A 86 0.570 -8.360 3.902 1.00 0.00 O ATOM 1272 CB ILE A 86 0.628 -5.618 2.191 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.961 -4.142 1.969 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.767 -5.936 1.674 1.00 0.00 C ATOM 1275 CD1 ILE A 86 -0.025 -3.196 2.617 1.00 0.00 C ATOM 0 H ILE A 86 2.811 -5.892 3.367 1.00 0.00 H new ATOM 0 HA ILE A 86 0.291 -5.175 4.276 1.00 0.00 H new ATOM 0 HB ILE A 86 1.346 -6.220 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.958 -3.940 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.993 -3.942 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.830 -5.679 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.969 -7.000 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.503 -5.358 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.274 -2.167 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.020 -3.371 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.041 -3.368 3.693 1.00 0.00 H new ATOM 1287 N THR A 87 -1.308 -7.160 4.213 1.00 0.00 N ATOM 1288 CA THR A 87 -2.140 -8.327 4.479 1.00 0.00 C ATOM 1289 C THR A 87 -3.374 -8.338 3.583 1.00 0.00 C ATOM 1290 O THR A 87 -3.862 -7.296 3.146 1.00 0.00 O ATOM 1291 CB THR A 87 -2.588 -8.374 5.952 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.194 -7.130 6.319 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.408 -8.658 6.868 1.00 0.00 C ATOM 0 H THR A 87 -1.805 -6.270 4.252 1.00 0.00 H new ATOM 0 HA THR A 87 -1.531 -9.205 4.265 1.00 0.00 H new ATOM 0 HB THR A 87 -3.315 -9.179 6.062 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.563 -6.604 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.749 -8.686 7.903 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.966 -9.619 6.605 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.661 -7.872 6.754 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.891 -9.543 3.303 1.00 0.00 N ATOM 1302 CA PRO A 88 -5.076 -9.719 2.458 1.00 0.00 C ATOM 1303 C PRO A 88 -6.349 -9.220 3.133 1.00 0.00 C ATOM 1304 O PRO A 88 -7.432 -9.268 2.551 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.141 -11.233 2.247 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.440 -11.810 3.428 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.361 -10.827 3.790 1.00 0.00 C ATOM 0 HA PRO A 88 -5.003 -9.149 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.172 -11.581 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.654 -11.524 1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.130 -11.955 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.016 -12.786 3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.181 -10.806 4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.413 -11.077 3.313 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.211 -8.741 4.365 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.350 -8.231 5.119 1.00 0.00 C ATOM 1317 C ALA A 89 -7.316 -6.709 5.203 1.00 0.00 C ATOM 1318 O ALA A 89 -8.207 -6.089 5.784 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.374 -8.838 6.514 1.00 0.00 C ATOM 0 H ALA A 89 -5.322 -8.695 4.862 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.260 -8.519 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.230 -8.448 7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.455 -9.922 6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.455 -8.579 7.039 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.282 -6.112 4.619 1.00 0.00 N ATOM 1326 CA ASP A 90 -6.132 -4.661 4.628 1.00 0.00 C ATOM 1327 C ASP A 90 -6.469 -4.072 3.262 1.00 0.00 C ATOM 1328 O ASP A 90 -6.647 -2.862 3.123 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.706 -4.277 5.025 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.547 -4.114 6.524 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.197 -3.213 7.095 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.772 -4.886 7.127 1.00 0.00 O ATOM 0 H ASP A 90 -5.536 -6.610 4.134 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.827 -4.253 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.015 -5.041 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.432 -3.345 4.530 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.553 -4.936 2.255 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.869 -4.501 0.900 1.00 0.00 C ATOM 1339 C ALA A 91 -8.155 -3.682 0.872 1.00 0.00 C ATOM 1340 O ALA A 91 -8.887 -3.624 1.859 1.00 0.00 O ATOM 1341 CB ALA A 91 -6.985 -5.702 -0.026 1.00 0.00 C ATOM 0 H ALA A 91 -6.407 -5.941 2.352 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.056 -3.864 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.221 -5.362 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.040 -6.245 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.777 -6.361 0.330 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.424 -3.050 -0.266 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.622 -2.242 -0.401 1.00 0.00 C ATOM 1349 C GLY A 92 -9.375 -0.962 -1.173 1.00 0.00 C ATOM 1350 O GLY A 92 -9.151 -0.990 -2.384 1.00 0.00 O ATOM 0 H GLY A 92 -7.834 -3.083 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.394 -2.824 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.004 -1.997 0.590 1.00 0.00 H new ATOM 1354 N THR A 93 -9.416 0.168 -0.472 1.00 0.00 N ATOM 1355 CA THR A 93 -9.197 1.465 -1.099 1.00 0.00 C ATOM 1356 C THR A 93 -8.790 2.512 -0.069 1.00 0.00 C ATOM 1357 O THR A 93 -9.568 2.855 0.822 1.00 0.00 O ATOM 1358 CB THR A 93 -10.457 1.951 -1.839 1.00 0.00 C ATOM 1359 OG1 THR A 93 -10.916 0.939 -2.743 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.173 3.233 -2.607 1.00 0.00 C ATOM 0 H THR A 93 -9.599 0.210 0.531 1.00 0.00 H new ATOM 0 HA THR A 93 -8.389 1.335 -1.819 1.00 0.00 H new ATOM 0 HB THR A 93 -11.231 2.154 -1.098 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.172 0.345 -2.974 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.078 3.557 -3.122 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.853 4.010 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.385 3.052 -3.338 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.568 3.017 -0.197 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.057 4.025 0.725 1.00 0.00 C ATOM 1370 C TYR A 94 -7.282 5.430 0.175 1.00 0.00 C ATOM 1371 O TYR A 94 -6.840 5.756 -0.927 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.567 3.799 0.986 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.261 2.472 1.642 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.612 1.275 1.030 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.622 2.415 2.875 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.335 0.060 1.626 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.340 1.204 3.477 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.699 0.030 2.849 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.421 -1.178 3.447 1.00 0.00 O ATOM 0 H TYR A 94 -6.913 2.745 -0.930 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.601 3.931 1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.028 3.860 0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.192 4.603 1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.110 1.295 0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.341 3.333 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.615 -0.861 1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.841 1.177 4.434 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.189 -1.778 3.344 1.00 0.00 H new ATOM 1389 N TYR A 95 -7.972 6.258 0.951 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.258 7.628 0.542 1.00 0.00 C ATOM 1391 C TYR A 95 -7.452 8.624 1.371 1.00 0.00 C ATOM 1392 O TYR A 95 -7.639 8.737 2.583 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.752 7.923 0.683 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.636 6.926 -0.031 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -10.932 5.695 0.541 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.177 7.215 -1.278 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.738 4.781 -0.108 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -11.985 6.307 -1.934 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.263 5.091 -1.345 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.068 4.184 -1.995 1.00 0.00 O ATOM 0 H TYR A 95 -8.344 6.005 1.866 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.970 7.735 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.013 7.935 1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -9.955 8.920 0.293 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.524 5.449 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.962 8.166 -1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.956 3.828 0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.397 6.548 -2.903 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.355 4.558 -2.854 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.553 9.344 0.708 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.717 10.331 1.381 1.00 0.00 C ATOM 1412 C CYS A 96 -6.549 11.520 1.851 1.00 0.00 C ATOM 1413 O CYS A 96 -6.903 12.395 1.061 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.605 10.811 0.445 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.207 11.608 1.299 1.00 0.00 S ATOM 0 H CYS A 96 -6.385 9.262 -0.295 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.269 9.856 2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.232 9.960 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.027 11.514 -0.273 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.859 11.545 3.144 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.648 12.626 3.720 1.00 0.00 C ATOM 1422 C VAL A 97 -6.751 13.730 4.269 1.00 0.00 C ATOM 1423 O VAL A 97 -5.962 13.505 5.187 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.562 12.114 4.849 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.252 13.276 5.548 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.584 11.128 4.301 1.00 0.00 C ATOM 0 H VAL A 97 -6.575 10.828 3.812 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.265 13.029 2.917 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.946 11.594 5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.893 12.894 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.502 13.941 5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.856 13.827 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.222 10.776 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.196 11.621 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.067 10.280 3.852 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.877 14.924 3.701 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.079 16.065 4.134 1.00 0.00 C ATOM 1438 C LYS A 98 -6.795 16.845 5.232 1.00 0.00 C ATOM 1439 O LYS A 98 -7.699 17.635 4.957 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.785 16.987 2.948 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.338 18.380 3.356 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.965 18.357 4.008 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.513 19.753 4.405 1.00 0.00 C ATOM 1444 NZ LYS A 98 -2.029 19.865 4.446 1.00 0.00 N ATOM 0 H LYS A 98 -7.524 15.127 2.939 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.139 15.687 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.011 16.533 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.680 17.068 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.314 19.027 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.063 18.808 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.991 17.717 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.241 17.921 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.912 20.479 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.923 20.003 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.745 20.825 4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.693 19.674 5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.610 19.174 3.791 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.385 16.619 6.475 1.00 0.00 N ATOM 1459 CA PHE A 99 -6.987 17.301 7.615 1.00 0.00 C ATOM 1460 C PHE A 99 -6.429 18.713 7.761 1.00 0.00 C ATOM 1461 O PHE A 99 -5.238 18.946 7.551 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.741 16.508 8.900 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.828 15.520 9.212 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.843 14.272 8.610 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.836 15.839 10.107 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.842 13.360 8.895 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.838 14.932 10.397 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.841 13.691 9.789 1.00 0.00 C ATOM 0 H PHE A 99 -5.638 15.969 6.719 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.060 17.370 7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.793 15.978 8.814 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.643 17.203 9.734 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.064 14.009 7.909 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.839 16.808 10.584 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.841 12.390 8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.617 15.193 11.098 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.624 12.981 10.013 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.297 19.653 8.121 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.892 21.042 8.294 1.00 0.00 C ATOM 1480 C ARG A 100 -6.745 21.386 9.773 1.00 0.00 C ATOM 1481 O ARG A 100 -7.556 20.973 10.602 1.00 0.00 O ATOM 1482 CB ARG A 100 -7.911 21.978 7.641 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.133 22.246 8.504 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.314 22.712 7.669 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.421 23.180 8.499 1.00 0.00 N ATOM 1486 CZ ARG A 100 -11.421 24.347 9.134 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -10.378 25.159 9.035 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -12.465 24.702 9.871 1.00 0.00 N ATOM 0 H ARG A 100 -8.286 19.477 8.299 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.924 21.174 7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.425 22.926 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.233 21.546 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.404 21.339 9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.893 23.003 9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.994 23.515 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.656 21.893 7.036 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.239 22.578 8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.573 24.888 8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.381 26.054 9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.269 24.079 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.464 25.598 10.358 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.703 22.145 10.098 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.448 22.545 11.477 1.00 0.00 C ATOM 1504 C LYS A 101 -6.637 23.312 12.049 1.00 0.00 C ATOM 1505 O LYS A 101 -6.928 24.430 11.625 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.186 23.408 11.554 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.497 23.356 12.906 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.326 24.324 12.972 1.00 0.00 C ATOM 1509 CE LYS A 101 -2.794 25.747 13.231 1.00 0.00 C ATOM 1510 NZ LYS A 101 -1.652 26.699 13.321 1.00 0.00 N ATOM 0 H LYS A 101 -5.022 22.495 9.425 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.300 21.642 12.070 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.485 23.082 10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.448 24.442 11.328 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.214 23.597 13.691 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.144 22.343 13.097 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.641 24.015 13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.769 24.288 12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.465 26.060 12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.367 25.778 14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.013 27.658 13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.024 26.416 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.120 26.689 12.427 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.318 22.704 13.015 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.466 23.345 13.630 1.00 0.00 C ATOM 1526 C GLY A 102 -8.598 23.009 15.102 1.00 0.00 C ATOM 1527 O GLY A 102 -7.887 22.145 15.615 1.00 0.00 O ATOM 0 H GLY A 102 -7.096 21.779 13.383 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.381 24.425 13.513 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.372 23.039 13.108 1.00 0.00 H new ATOM 1531 N SER A 103 -9.509 23.695 15.785 1.00 0.00 N ATOM 1532 CA SER A 103 -9.728 23.469 17.208 1.00 0.00 C ATOM 1533 C SER A 103 -11.170 23.051 17.477 1.00 0.00 C ATOM 1534 O SER A 103 -12.093 23.407 16.744 1.00 0.00 O ATOM 1535 CB SER A 103 -9.394 24.732 18.004 1.00 0.00 C ATOM 1536 OG SER A 103 -10.475 25.648 17.984 1.00 0.00 O ATOM 0 H SER A 103 -10.107 24.412 15.375 1.00 0.00 H new ATOM 0 HA SER A 103 -9.069 22.662 17.528 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.159 24.465 19.034 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.505 25.205 17.586 1.00 0.00 H new ATOM 0 HG SER A 103 -10.237 26.446 18.501 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.370 22.276 18.553 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.280 21.846 19.433 1.00 0.00 C ATOM 1544 C PRO A 104 -9.355 20.838 18.759 1.00 0.00 C ATOM 1545 O PRO A 104 -8.351 20.420 19.335 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.009 21.196 20.611 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.316 20.752 20.050 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.677 21.761 18.995 1.00 0.00 C ATOM 0 HA PRO A 104 -9.636 22.677 19.719 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.443 20.354 21.011 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.149 21.903 21.429 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.238 19.752 19.623 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.080 20.709 20.827 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.227 21.303 18.173 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.307 22.555 19.397 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.699 20.453 17.535 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.898 19.495 16.781 1.00 0.00 C ATOM 1558 C ASP A 105 -9.015 19.750 15.282 1.00 0.00 C ATOM 1559 O ASP A 105 -9.822 20.569 14.842 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.337 18.066 17.103 1.00 0.00 C ATOM 1561 CG ASP A 105 -10.517 17.619 16.262 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -11.412 18.451 16.006 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -10.544 16.437 15.860 1.00 0.00 O ATOM 0 H ASP A 105 -10.527 20.789 17.044 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.855 19.621 17.073 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.500 17.387 16.940 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.601 17.999 18.158 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.202 19.045 14.502 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.214 19.195 13.051 1.00 0.00 C ATOM 1570 C ASP A 106 -9.598 18.896 12.485 1.00 0.00 C ATOM 1571 O ASP A 106 -10.510 18.512 13.218 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.177 18.270 12.413 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.139 16.903 13.070 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.197 16.242 13.125 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -6.051 16.496 13.527 1.00 0.00 O ATOM 0 H ASP A 106 -7.527 18.364 14.850 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.961 20.229 12.815 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.401 18.154 11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.192 18.731 12.482 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.748 19.075 11.177 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.021 18.824 10.512 1.00 0.00 C ATOM 1582 C VAL A 107 -10.810 18.385 9.067 1.00 0.00 C ATOM 1583 O VAL A 107 -9.965 18.933 8.360 1.00 0.00 O ATOM 1584 CB VAL A 107 -11.920 20.074 10.530 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.180 19.839 9.710 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.270 20.457 11.960 1.00 0.00 C ATOM 0 H VAL A 107 -9.004 19.393 10.556 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.513 18.023 11.064 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.371 20.901 10.079 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.802 20.733 9.735 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.907 19.616 8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.735 18.999 10.128 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.906 21.342 11.954 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.800 19.633 12.438 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.356 20.670 12.514 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.584 17.394 8.636 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.480 16.882 7.275 1.00 0.00 C ATOM 1598 C GLU A 108 -11.818 17.968 6.257 1.00 0.00 C ATOM 1599 O GLU A 108 -12.925 18.507 6.254 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.411 15.682 7.085 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.503 15.205 5.645 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.834 14.548 5.333 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -14.806 15.280 5.053 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -13.902 13.302 5.368 1.00 0.00 O ATOM 0 H GLU A 108 -12.289 16.930 9.209 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.450 16.564 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.062 14.860 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.408 15.948 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.354 16.052 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.698 14.497 5.448 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.857 18.283 5.396 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.051 19.306 4.374 1.00 0.00 C ATOM 1613 C PHE A 109 -11.184 18.674 2.992 1.00 0.00 C ATOM 1614 O PHE A 109 -12.192 18.856 2.308 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.884 20.296 4.385 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.987 21.355 3.325 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.778 22.476 3.522 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.293 21.230 2.133 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.875 23.451 2.547 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.386 22.203 1.155 1.00 0.00 C ATOM 1621 CZ PHE A 109 -10.177 23.315 1.363 1.00 0.00 C ATOM 0 H PHE A 109 -9.936 17.845 5.385 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.973 19.841 4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.834 20.775 5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.952 19.748 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.324 22.589 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.672 20.362 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.496 24.319 2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.840 22.093 0.229 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.250 24.077 0.601 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.160 17.932 2.585 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.160 17.273 1.285 1.00 0.00 C ATOM 1633 C LYS A 110 -10.053 15.759 1.442 1.00 0.00 C ATOM 1634 O LYS A 110 -9.636 15.263 2.489 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.003 17.790 0.427 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.303 17.790 -1.062 1.00 0.00 C ATOM 1637 CD LYS A 110 -10.335 18.846 -1.424 1.00 0.00 C ATOM 1638 CE LYS A 110 -9.685 20.199 -1.668 1.00 0.00 C ATOM 1639 NZ LYS A 110 -10.682 21.305 -1.641 1.00 0.00 N ATOM 0 H LYS A 110 -9.318 17.772 3.138 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.103 17.504 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.755 18.805 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.122 17.175 0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.384 17.972 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.667 16.807 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.877 18.535 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -11.067 18.932 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.923 20.378 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.178 20.190 -2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.543 21.918 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.643 20.907 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.558 21.863 -0.772 1.00 0.00 H new ATOM 1653 N SER A 111 -10.430 15.032 0.396 1.00 0.00 N ATOM 1654 CA SER A 111 -10.377 13.575 0.420 1.00 0.00 C ATOM 1655 C SER A 111 -9.929 13.025 -0.931 1.00 0.00 C ATOM 1656 O SER A 111 -10.606 13.203 -1.942 1.00 0.00 O ATOM 1657 CB SER A 111 -11.747 13.000 0.787 1.00 0.00 C ATOM 1658 OG SER A 111 -11.707 11.585 0.845 1.00 0.00 O ATOM 0 H SER A 111 -10.775 15.427 -0.478 1.00 0.00 H new ATOM 0 HA SER A 111 -9.650 13.275 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.066 13.398 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.487 13.316 0.051 1.00 0.00 H new ATOM 0 HG SER A 111 -12.594 11.242 1.083 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.780 12.356 -0.939 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.259 11.790 -2.170 1.00 0.00 C ATOM 1666 C GLY A 112 -9.302 10.995 -2.929 1.00 0.00 C ATOM 1667 O GLY A 112 -10.384 10.722 -2.410 1.00 0.00 O ATOM 0 H GLY A 112 -8.201 12.196 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.885 12.593 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.411 11.145 -1.939 1.00 0.00 H new ATOM 1671 N ALA A 113 -8.978 10.625 -4.164 1.00 0.00 N ATOM 1672 CA ALA A 113 -9.895 9.856 -4.996 1.00 0.00 C ATOM 1673 C ALA A 113 -10.086 8.447 -4.447 1.00 0.00 C ATOM 1674 O ALA A 113 -11.182 7.890 -4.505 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.388 9.802 -6.430 1.00 0.00 C ATOM 0 H ALA A 113 -8.088 10.845 -4.610 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.863 10.356 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.083 9.225 -7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.311 10.814 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.406 9.329 -6.451 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.011 7.874 -3.913 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.081 6.534 -3.362 1.00 0.00 C ATOM 1683 C GLY A 114 -8.233 5.543 -4.135 1.00 0.00 C ATOM 1684 O GLY A 114 -8.616 5.096 -5.216 1.00 0.00 O ATOM 0 H GLY A 114 -8.093 8.315 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.753 6.555 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.118 6.198 -3.363 1.00 0.00 H new ATOM 1688 N THR A 115 -7.074 5.200 -3.580 1.00 0.00 N ATOM 1689 CA THR A 115 -6.168 4.258 -4.226 1.00 0.00 C ATOM 1690 C THR A 115 -6.511 2.821 -3.852 1.00 0.00 C ATOM 1691 O THR A 115 -6.338 2.411 -2.705 1.00 0.00 O ATOM 1692 CB THR A 115 -4.702 4.540 -3.846 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.275 5.778 -4.425 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.795 3.414 -4.318 1.00 0.00 C ATOM 0 H THR A 115 -6.741 5.560 -2.686 1.00 0.00 H new ATOM 0 HA THR A 115 -6.289 4.389 -5.301 1.00 0.00 H new ATOM 0 HB THR A 115 -4.637 4.606 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.086 5.646 -5.377 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.765 3.635 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.104 2.478 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.865 3.321 -5.402 1.00 0.00 H new ATOM 1702 N GLU A 116 -6.996 2.060 -4.829 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.363 0.667 -4.601 1.00 0.00 C ATOM 1704 C GLU A 116 -6.120 -0.202 -4.436 1.00 0.00 C ATOM 1705 O GLU A 116 -5.191 -0.137 -5.242 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.215 0.145 -5.759 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.665 -1.295 -5.582 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.549 -1.774 -6.718 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -9.279 -1.400 -7.878 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.510 -2.523 -6.445 1.00 0.00 O ATOM 0 H GLU A 116 -7.144 2.384 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.945 0.616 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.094 0.781 -5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.645 0.228 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.789 -1.940 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.206 -1.389 -4.641 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.109 -1.017 -3.386 1.00 0.00 N ATOM 1718 CA LEU A 117 -4.981 -1.900 -3.114 1.00 0.00 C ATOM 1719 C LEU A 117 -5.320 -3.343 -3.473 1.00 0.00 C ATOM 1720 O LEU A 117 -6.388 -3.846 -3.123 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.580 -1.810 -1.641 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.397 -2.678 -1.212 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.086 -2.051 -1.658 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.407 -2.886 0.295 1.00 0.00 C ATOM 0 H LEU A 117 -6.869 -1.084 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.143 -1.578 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.344 -0.771 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.443 -2.082 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.492 -3.652 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.255 -2.683 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.079 -1.956 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.982 -1.064 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.558 -3.506 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.337 -1.920 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.333 -3.381 0.588 1.00 0.00 H new ATOM 1736 N SER A 118 -4.404 -4.005 -4.173 1.00 0.00 N ATOM 1737 CA SER A 118 -4.607 -5.390 -4.580 1.00 0.00 C ATOM 1738 C SER A 118 -3.582 -6.307 -3.919 1.00 0.00 C ATOM 1739 O SER A 118 -2.471 -6.480 -4.421 1.00 0.00 O ATOM 1740 CB SER A 118 -4.512 -5.515 -6.102 1.00 0.00 C ATOM 1741 OG SER A 118 -5.786 -5.371 -6.706 1.00 0.00 O ATOM 0 H SER A 118 -3.514 -3.604 -4.470 1.00 0.00 H new ATOM 0 HA SER A 118 -5.603 -5.695 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.834 -4.755 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.089 -6.485 -6.365 1.00 0.00 H new ATOM 0 HG SER A 118 -5.698 -5.453 -7.679 1.00 0.00 H new ATOM 1747 N VAL A 119 -3.964 -6.892 -2.788 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.080 -7.792 -2.057 1.00 0.00 C ATOM 1749 C VAL A 119 -3.098 -9.191 -2.662 1.00 0.00 C ATOM 1750 O VAL A 119 -4.122 -9.874 -2.643 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.476 -7.882 -0.571 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.515 -8.789 0.183 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.516 -6.496 0.054 1.00 0.00 C ATOM 0 H VAL A 119 -4.879 -6.759 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.074 -7.379 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.474 -8.314 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.810 -8.841 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.542 -9.788 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.504 -8.389 0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.797 -6.578 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.532 -6.034 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.247 -5.881 -0.471 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.957 -9.613 -3.197 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.841 -10.931 -3.809 1.00 0.00 C ATOM 1765 C ARG A 120 -1.218 -11.929 -2.837 1.00 0.00 C ATOM 1766 O ARG A 120 -0.072 -11.770 -2.418 1.00 0.00 O ATOM 1767 CB ARG A 120 -1.000 -10.853 -5.084 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.756 -10.296 -6.280 1.00 0.00 C ATOM 1769 CD ARG A 120 -1.237 -10.876 -7.586 1.00 0.00 C ATOM 1770 NE ARG A 120 -0.013 -10.214 -8.030 1.00 0.00 N ATOM 1771 CZ ARG A 120 0.025 -8.963 -8.477 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -1.086 -8.243 -8.538 1.00 0.00 N ATOM 1773 NH2 ARG A 120 1.178 -8.431 -8.863 1.00 0.00 N ATOM 0 H ARG A 120 -1.100 -9.061 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.844 -11.275 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.126 -10.230 -4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.633 -11.850 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.818 -10.520 -6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -1.660 -9.210 -6.299 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -1.047 -11.942 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -2.002 -10.778 -8.356 1.00 0.00 H new ATOM 0 HE ARG A 120 0.860 -10.740 -7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -1.974 -8.649 -8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.053 -7.283 -8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.035 -8.982 -8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 120 1.207 -7.471 -9.206 1.00 0.00 H new ATOM 1787 N ALA A 121 -1.982 -12.957 -2.482 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.505 -13.981 -1.561 1.00 0.00 C ATOM 1789 C ALA A 121 -0.073 -14.389 -1.888 1.00 0.00 C ATOM 1790 O ALA A 121 0.380 -14.250 -3.024 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.424 -15.194 -1.598 1.00 0.00 C ATOM 0 H ALA A 121 -2.934 -13.103 -2.818 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.515 -13.563 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.056 -15.951 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.432 -14.896 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.444 -15.605 -2.607 1.00 0.00 H new ATOM 1797 N LYS A 122 0.637 -14.894 -0.885 1.00 0.00 N ATOM 1798 CA LYS A 122 2.019 -15.324 -1.064 1.00 0.00 C ATOM 1799 C LYS A 122 2.159 -16.198 -2.307 1.00 0.00 C ATOM 1800 O LYS A 122 1.203 -16.822 -2.767 1.00 0.00 O ATOM 1801 CB LYS A 122 2.501 -16.091 0.169 1.00 0.00 C ATOM 1802 CG LYS A 122 2.274 -17.590 0.080 1.00 0.00 C ATOM 1803 CD LYS A 122 3.496 -18.307 -0.471 1.00 0.00 C ATOM 1804 CE LYS A 122 3.321 -19.817 -0.431 1.00 0.00 C ATOM 1805 NZ LYS A 122 3.487 -20.358 0.947 1.00 0.00 N ATOM 0 H LYS A 122 0.278 -15.016 0.062 1.00 0.00 H new ATOM 0 HA LYS A 122 2.636 -14.435 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.565 -15.901 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.987 -15.706 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.036 -17.982 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.414 -17.791 -0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.675 -17.987 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.376 -18.026 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.332 -20.078 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.048 -20.285 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.411 -21.395 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.421 -20.087 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.745 -19.970 1.564 1.00 0.00 H new