USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 924 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 59 THR OG1 : rot 180:sc= 0.0332 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 44 LYS NZ :NH3+ 152:sc= 2.4 (180deg=0.413) USER MOD Set 2.2: A 85 SER OG : rot 96:sc= 2.31 USER MOD Set 3.1: A 18 LYS NZ :NH3+ -172:sc= 0.422! (180deg=0.212) USER MOD Set 3.2: A 73 GLN : amide:sc= -0.993 K(o=-0.57,f=-7.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -107:sc= 1.1 (180deg=0.588) USER MOD Single : A 23 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.2!) USER MOD Single : A 27 TYR OH : rot -137:sc= -0.186 USER MOD Single : A 29 CYS SG : rot -3:sc= 0.912 USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= 1.23 (180deg=-1.01!) USER MOD Single : A 37 HIS : no HE2:sc= 0.0173 X(o=0.017,f=-0.28) USER MOD Single : A 40 HIS : no HE2:sc= 0.994 K(o=0.99,f=-5.7!) USER MOD Single : A 45 LYS NZ :NH3+ -137:sc= -0.25 (180deg=-0.554) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -12:sc= 2.04 USER MOD Single : A 56 SER OG : rot -18:sc= 0.0509 USER MOD Single : A 57 CYS SG : rot 167:sc= 0.635 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0761 USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= 0.514 (180deg=-0.692) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 0.376 (180deg=0.222) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 2.33 (180deg=1.8) USER MOD Single : A 81 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 90 LYS NZ :NH3+ -129:sc= 1.21 (180deg=-0.151!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0.0167 K(o=0.017,f=-3.7!) USER MOD Single : A 97 GLN : amide:sc= -0.72 K(o=-0.72,f=-0.072) USER MOD Single : A 98 LYS NZ :NH3+ -143:sc= 2.11 (180deg=0.907) USER MOD Single : A 100 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 105 LYS NZ :NH3+ 151:sc= -0.249 (180deg=-2.12!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 110 LYS NZ :NH3+ -177:sc= 2.01 (180deg=2) USER MOD Single : A 113 HIS : no HD1:sc= -0.289 C(o=1.3!,f=-12!) USER MOD Single : A 115 LYS NZ :NH3+ -140:sc= -2.78! (180deg=-4.63!) USER MOD ----------------------------------------------------------------- ATOM 31 N ASP A 12 -17.165 -0.329 8.135 1.00 0.00 N ATOM 32 CA ASP A 12 -18.136 -1.006 7.224 1.00 0.00 C ATOM 33 C ASP A 12 -17.663 -0.976 5.762 1.00 0.00 C ATOM 34 O ASP A 12 -17.848 -1.924 5.006 1.00 0.00 O ATOM 35 CB ASP A 12 -19.536 -0.367 7.358 1.00 0.00 C ATOM 36 CG ASP A 12 -20.549 -0.873 6.331 1.00 0.00 C ATOM 37 OD1 ASP A 12 -21.009 -2.025 6.436 1.00 0.00 O1- ATOM 38 OD2 ASP A 12 -20.901 -0.107 5.413 1.00 0.00 O ATOM 0 HA ASP A 12 -18.197 -2.052 7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.920 -0.563 8.359 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.442 0.714 7.259 1.00 0.00 H new ATOM 43 N LEU A 13 -17.019 0.100 5.403 1.00 0.00 N ATOM 44 CA LEU A 13 -16.508 0.305 4.063 1.00 0.00 C ATOM 45 C LEU A 13 -15.082 -0.206 3.954 1.00 0.00 C ATOM 46 O LEU A 13 -14.562 -0.319 2.890 1.00 0.00 O ATOM 47 CB LEU A 13 -16.577 1.808 3.635 1.00 0.00 C ATOM 48 CG LEU A 13 -17.962 2.508 3.698 1.00 0.00 C ATOM 49 CD1 LEU A 13 -18.397 2.822 5.128 1.00 0.00 C ATOM 50 CD2 LEU A 13 -17.973 3.767 2.858 1.00 0.00 C ATOM 0 H LEU A 13 -16.828 0.875 6.038 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.144 -0.262 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -15.887 2.369 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -16.208 1.884 2.612 1.00 0.00 H new ATOM 0 HG LEU A 13 -18.684 1.802 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -19.371 3.310 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -18.464 1.896 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -17.667 3.484 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -18.954 4.237 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -17.216 4.458 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -17.757 3.514 1.820 1.00 0.00 H new ATOM 62 N THR A 14 -14.461 -0.463 5.075 1.00 0.00 N ATOM 63 CA THR A 14 -13.084 -0.874 5.115 1.00 0.00 C ATOM 64 C THR A 14 -12.836 -2.404 5.079 1.00 0.00 C ATOM 65 O THR A 14 -11.785 -2.827 4.655 1.00 0.00 O ATOM 66 CB THR A 14 -12.283 -0.173 6.229 1.00 0.00 C ATOM 67 OG1 THR A 14 -12.400 1.234 6.064 1.00 0.00 O ATOM 68 CG2 THR A 14 -10.841 -0.520 6.096 1.00 0.00 C ATOM 0 H THR A 14 -14.901 -0.392 5.993 1.00 0.00 H new ATOM 0 HA THR A 14 -12.689 -0.525 4.161 1.00 0.00 H new ATOM 0 HB THR A 14 -12.666 -0.489 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.895 1.689 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.273 -0.025 6.884 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.717 -1.599 6.183 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.476 -0.190 5.123 1.00 0.00 H new ATOM 76 N GLU A 15 -13.778 -3.218 5.545 1.00 0.00 N ATOM 77 CA GLU A 15 -13.621 -4.724 5.567 1.00 0.00 C ATOM 78 C GLU A 15 -13.060 -5.291 4.215 1.00 0.00 C ATOM 79 O GLU A 15 -12.323 -6.272 4.175 1.00 0.00 O ATOM 80 CB GLU A 15 -14.975 -5.337 5.886 1.00 0.00 C ATOM 81 CG GLU A 15 -15.453 -5.013 7.291 1.00 0.00 C ATOM 82 CD GLU A 15 -16.934 -5.195 7.458 1.00 0.00 C ATOM 83 OE1 GLU A 15 -17.444 -6.301 7.250 1.00 0.00 O1- ATOM 84 OE2 GLU A 15 -17.622 -4.197 7.730 1.00 0.00 O ATOM 0 H GLU A 15 -14.669 -2.890 5.919 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.890 -4.988 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.710 -4.978 5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.915 -6.419 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.930 -5.651 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.189 -3.983 7.531 1.00 0.00 H new ATOM 91 N VAL A 16 -13.396 -4.597 3.166 1.00 0.00 N ATOM 92 CA VAL A 16 -12.948 -4.807 1.782 1.00 0.00 C ATOM 93 C VAL A 16 -11.425 -4.621 1.550 1.00 0.00 C ATOM 94 O VAL A 16 -10.895 -5.094 0.577 1.00 0.00 O ATOM 95 CB VAL A 16 -13.687 -3.884 0.850 1.00 0.00 C ATOM 96 CG1 VAL A 16 -15.163 -4.238 0.806 1.00 0.00 C ATOM 97 CG2 VAL A 16 -13.477 -2.510 1.357 1.00 0.00 C ATOM 0 H VAL A 16 -14.037 -3.807 3.240 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.170 -5.854 1.575 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.316 -3.974 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.680 -3.560 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.281 -5.263 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.589 -4.146 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.996 -1.801 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.869 -2.432 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.411 -2.283 1.362 1.00 0.00 H new ATOM 107 N LYS A 17 -10.791 -3.827 2.414 1.00 0.00 N ATOM 108 CA LYS A 17 -9.404 -3.310 2.303 1.00 0.00 C ATOM 109 C LYS A 17 -8.371 -4.302 1.736 1.00 0.00 C ATOM 110 O LYS A 17 -7.443 -3.876 1.072 1.00 0.00 O ATOM 111 CB LYS A 17 -8.960 -2.770 3.674 1.00 0.00 C ATOM 112 CG LYS A 17 -7.759 -1.824 3.689 1.00 0.00 C ATOM 113 CD LYS A 17 -7.661 -1.165 5.064 1.00 0.00 C ATOM 114 CE LYS A 17 -6.609 -0.076 5.145 1.00 0.00 C ATOM 115 NZ LYS A 17 -6.710 0.681 6.428 1.00 0.00 N1+ ATOM 0 H LYS A 17 -11.250 -3.501 3.265 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.435 -2.513 1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.806 -2.251 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.730 -3.621 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.844 -2.374 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.868 -1.065 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.631 -0.741 5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.438 -1.929 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.617 -0.519 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.726 0.609 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.106 1.625 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.330 0.167 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.764 0.779 6.849 1.00 0.00 H new ATOM 129 N LYS A 18 -8.533 -5.603 1.961 1.00 0.00 N ATOM 130 CA LYS A 18 -7.592 -6.566 1.381 1.00 0.00 C ATOM 131 C LYS A 18 -7.690 -6.624 -0.131 1.00 0.00 C ATOM 132 O LYS A 18 -6.681 -6.804 -0.800 1.00 0.00 O ATOM 133 CB LYS A 18 -7.656 -7.968 2.023 1.00 0.00 C ATOM 134 CG LYS A 18 -7.001 -8.033 3.401 1.00 0.00 C ATOM 135 CD LYS A 18 -5.490 -7.742 3.321 1.00 0.00 C ATOM 136 CE LYS A 18 -4.601 -8.988 3.100 1.00 0.00 C ATOM 137 NZ LYS A 18 -4.981 -9.890 1.963 1.00 0.00 N1+ ATOM 0 H LYS A 18 -9.281 -6.009 2.522 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.602 -6.182 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.699 -8.273 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.168 -8.685 1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.477 -7.312 4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.160 -9.020 3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.312 -7.037 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.180 -7.250 4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.576 -8.652 2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.604 -9.576 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.402 -10.753 1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.986 -10.144 2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.818 -9.399 1.061 1.00 0.00 H new ATOM 151 N ASP A 19 -8.884 -6.426 -0.649 1.00 0.00 N ATOM 152 CA ASP A 19 -9.115 -6.376 -2.087 1.00 0.00 C ATOM 153 C ASP A 19 -8.566 -5.060 -2.610 1.00 0.00 C ATOM 154 O ASP A 19 -7.847 -5.024 -3.611 1.00 0.00 O ATOM 155 CB ASP A 19 -10.622 -6.461 -2.419 1.00 0.00 C ATOM 156 CG ASP A 19 -11.297 -7.743 -1.953 1.00 0.00 C ATOM 157 OD1 ASP A 19 -11.780 -7.791 -0.806 1.00 0.00 O1- ATOM 158 OD2 ASP A 19 -11.389 -8.709 -2.738 1.00 0.00 O ATOM 0 H ASP A 19 -9.726 -6.294 -0.089 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.617 -7.226 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.130 -5.611 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.750 -6.369 -3.498 1.00 0.00 H new ATOM 163 N ALA A 20 -8.867 -3.973 -1.870 1.00 0.00 N ATOM 164 CA ALA A 20 -8.416 -2.614 -2.226 1.00 0.00 C ATOM 165 C ALA A 20 -6.910 -2.554 -2.344 1.00 0.00 C ATOM 166 O ALA A 20 -6.386 -1.963 -3.265 1.00 0.00 O ATOM 167 CB ALA A 20 -8.878 -1.572 -1.202 1.00 0.00 C ATOM 0 H ALA A 20 -9.424 -4.012 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.867 -2.381 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.525 -0.585 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.967 -1.568 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.472 -1.820 -0.222 1.00 0.00 H new ATOM 173 N LEU A 21 -6.223 -3.206 -1.413 1.00 0.00 N ATOM 174 CA LEU A 21 -4.762 -3.215 -1.380 1.00 0.00 C ATOM 175 C LEU A 21 -4.147 -3.832 -2.642 1.00 0.00 C ATOM 176 O LEU A 21 -3.008 -3.521 -2.991 1.00 0.00 O ATOM 177 CB LEU A 21 -4.233 -3.924 -0.122 1.00 0.00 C ATOM 178 CG LEU A 21 -4.523 -3.241 1.229 1.00 0.00 C ATOM 179 CD1 LEU A 21 -3.973 -4.068 2.380 1.00 0.00 C ATOM 180 CD2 LEU A 21 -3.956 -1.825 1.270 1.00 0.00 C ATOM 0 H LEU A 21 -6.659 -3.741 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.452 -2.171 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.656 -4.928 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.153 -4.036 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.605 -3.172 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.189 -3.567 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.440 -5.053 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.895 -4.178 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.178 -1.372 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.876 -1.861 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.408 -1.229 0.477 1.00 0.00 H new ATOM 192 N GLU A 22 -4.908 -4.666 -3.334 1.00 0.00 N ATOM 193 CA GLU A 22 -4.416 -5.300 -4.536 1.00 0.00 C ATOM 194 C GLU A 22 -4.449 -4.304 -5.703 1.00 0.00 C ATOM 195 O GLU A 22 -3.444 -4.076 -6.372 1.00 0.00 O ATOM 196 CB GLU A 22 -5.210 -6.581 -4.840 1.00 0.00 C ATOM 197 CG GLU A 22 -4.667 -7.374 -6.017 1.00 0.00 C ATOM 198 CD GLU A 22 -3.189 -7.654 -5.866 1.00 0.00 C ATOM 199 OE1 GLU A 22 -2.810 -8.609 -5.170 1.00 0.00 O ATOM 200 OE2 GLU A 22 -2.384 -6.897 -6.424 1.00 0.00 O1- ATOM 0 H GLU A 22 -5.864 -4.916 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.379 -5.600 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.209 -7.217 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.248 -6.315 -5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.209 -8.316 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.841 -6.821 -6.940 1.00 0.00 H new ATOM 207 N ASN A 23 -5.582 -3.645 -5.906 1.00 0.00 N ATOM 208 CA ASN A 23 -5.660 -2.628 -6.965 1.00 0.00 C ATOM 209 C ASN A 23 -4.820 -1.414 -6.594 1.00 0.00 C ATOM 210 O ASN A 23 -4.350 -0.665 -7.452 1.00 0.00 O ATOM 211 CB ASN A 23 -7.112 -2.230 -7.320 1.00 0.00 C ATOM 212 CG ASN A 23 -7.937 -1.742 -6.148 1.00 0.00 C ATOM 213 OD1 ASN A 23 -8.558 -2.527 -5.455 1.00 0.00 O ATOM 214 ND2 ASN A 23 -7.984 -0.459 -5.949 1.00 0.00 N ATOM 0 H ASN A 23 -6.440 -3.784 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.249 -3.075 -7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.085 -1.448 -8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.612 -3.090 -7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.554 -0.081 -5.193 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.451 0.170 -6.549 1.00 0.00 H new ATOM 221 N LEU A 24 -4.612 -1.250 -5.316 1.00 0.00 N ATOM 222 CA LEU A 24 -3.771 -0.218 -4.779 1.00 0.00 C ATOM 223 C LEU A 24 -2.317 -0.455 -5.141 1.00 0.00 C ATOM 224 O LEU A 24 -1.588 0.497 -5.452 1.00 0.00 O ATOM 225 CB LEU A 24 -3.991 -0.132 -3.273 1.00 0.00 C ATOM 226 CG LEU A 24 -3.131 0.825 -2.478 1.00 0.00 C ATOM 227 CD1 LEU A 24 -3.968 1.458 -1.398 1.00 0.00 C ATOM 228 CD2 LEU A 24 -1.961 0.077 -1.860 1.00 0.00 C ATOM 0 H LEU A 24 -5.033 -1.845 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.039 0.743 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.033 0.138 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.849 -1.130 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.740 1.601 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.354 2.149 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.797 2.001 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.359 0.683 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.346 0.772 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.337 -0.703 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.360 -0.375 -2.649 1.00 0.00 H new ATOM 240 N ARG A 25 -1.923 -1.727 -5.155 1.00 0.00 N ATOM 241 CA ARG A 25 -0.562 -2.139 -5.477 1.00 0.00 C ATOM 242 C ARG A 25 -0.131 -1.549 -6.824 1.00 0.00 C ATOM 243 O ARG A 25 0.952 -0.976 -6.950 1.00 0.00 O ATOM 244 CB ARG A 25 -0.476 -3.675 -5.567 1.00 0.00 C ATOM 245 CG ARG A 25 0.931 -4.204 -5.815 1.00 0.00 C ATOM 246 CD ARG A 25 0.936 -5.544 -6.562 1.00 0.00 C ATOM 247 NE ARG A 25 0.151 -6.606 -5.921 1.00 0.00 N ATOM 248 CZ ARG A 25 0.645 -7.738 -5.413 1.00 0.00 C ATOM 249 NH1 ARG A 25 1.959 -7.919 -5.352 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 -0.176 -8.687 -4.982 1.00 0.00 N ATOM 0 H ARG A 25 -2.546 -2.506 -4.941 1.00 0.00 H new ATOM 0 HA ARG A 25 0.096 -1.776 -4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.856 -4.105 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.129 -4.019 -6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.495 -3.470 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.444 -4.323 -4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.552 -5.384 -7.569 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.967 -5.884 -6.664 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.858 -6.468 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.590 -7.194 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.337 -8.783 -4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.185 -8.552 -5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.202 -9.551 -4.594 1.00 0.00 H new ATOM 264 N VAL A 26 -1.005 -1.652 -7.809 1.00 0.00 N ATOM 265 CA VAL A 26 -0.674 -1.224 -9.150 1.00 0.00 C ATOM 266 C VAL A 26 -0.627 0.316 -9.323 1.00 0.00 C ATOM 267 O VAL A 26 0.319 0.832 -9.944 1.00 0.00 O ATOM 268 CB VAL A 26 -1.557 -1.923 -10.247 1.00 0.00 C ATOM 269 CG1 VAL A 26 -3.034 -1.606 -10.100 1.00 0.00 C ATOM 270 CG2 VAL A 26 -1.072 -1.592 -11.653 1.00 0.00 C ATOM 0 H VAL A 26 -1.947 -2.028 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 26 0.349 -1.564 -9.309 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.442 -2.995 -10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.595 -2.115 -10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.384 -1.945 -9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.185 -0.530 -10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.707 -2.093 -12.384 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.119 -0.514 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.043 -1.932 -11.772 1.00 0.00 H new ATOM 280 N TYR A 27 -1.601 1.053 -8.755 1.00 0.00 N ATOM 281 CA TYR A 27 -1.635 2.519 -8.956 1.00 0.00 C ATOM 282 C TYR A 27 -0.683 3.283 -8.054 1.00 0.00 C ATOM 283 O TYR A 27 -0.386 4.445 -8.319 1.00 0.00 O ATOM 284 CB TYR A 27 -3.059 3.145 -8.876 1.00 0.00 C ATOM 285 CG TYR A 27 -3.812 2.995 -7.551 1.00 0.00 C ATOM 286 CD1 TYR A 27 -3.294 3.476 -6.329 1.00 0.00 C ATOM 287 CD2 TYR A 27 -5.051 2.383 -7.528 1.00 0.00 C ATOM 288 CE1 TYR A 27 -4.000 3.333 -5.158 1.00 0.00 C ATOM 289 CE2 TYR A 27 -5.760 2.240 -6.359 1.00 0.00 C ATOM 290 CZ TYR A 27 -5.231 2.718 -5.175 1.00 0.00 C ATOM 291 OH TYR A 27 -5.937 2.581 -4.011 1.00 0.00 O ATOM 0 H TYR A 27 -2.350 0.678 -8.174 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.288 2.631 -9.983 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.974 4.209 -9.099 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.668 2.702 -9.664 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.330 3.963 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.472 2.009 -8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.590 3.702 -4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.726 1.756 -6.366 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.327 1.683 -3.969 1.00 0.00 H new ATOM 301 N LEU A 28 -0.285 2.680 -6.962 1.00 0.00 N ATOM 302 CA LEU A 28 0.604 3.345 -6.041 1.00 0.00 C ATOM 303 C LEU A 28 2.072 3.097 -6.348 1.00 0.00 C ATOM 304 O LEU A 28 2.867 4.003 -6.239 1.00 0.00 O ATOM 305 CB LEU A 28 0.283 2.996 -4.570 1.00 0.00 C ATOM 306 CG LEU A 28 -0.715 3.858 -3.805 1.00 0.00 C ATOM 307 CD1 LEU A 28 -0.716 3.459 -2.349 1.00 0.00 C ATOM 308 CD2 LEU A 28 -0.412 5.332 -3.950 1.00 0.00 C ATOM 0 H LEU A 28 -0.560 1.736 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 28 0.426 4.411 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.084 1.970 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.222 3.010 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.705 3.690 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.430 4.076 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.000 2.410 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.281 3.602 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.146 5.911 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.585 5.538 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.457 5.611 -5.003 1.00 0.00 H new ATOM 320 N CYS A 29 2.392 1.886 -6.789 1.00 0.00 N ATOM 321 CA CYS A 29 3.779 1.395 -7.011 1.00 0.00 C ATOM 322 C CYS A 29 4.796 2.385 -7.673 1.00 0.00 C ATOM 323 O CYS A 29 6.005 2.295 -7.410 1.00 0.00 O ATOM 324 CB CYS A 29 3.730 0.071 -7.776 1.00 0.00 C ATOM 325 SG CYS A 29 5.313 -0.516 -8.425 1.00 0.00 S ATOM 0 H CYS A 29 1.685 1.186 -7.013 1.00 0.00 H new ATOM 0 HA CYS A 29 4.187 1.270 -6.008 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.322 -0.694 -7.116 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.034 0.178 -8.608 1.00 0.00 H new ATOM 0 HG CYS A 29 6.238 0.361 -8.171 1.00 0.00 H new ATOM 331 N GLU A 30 4.361 3.254 -8.540 1.00 0.00 N ATOM 332 CA GLU A 30 5.279 4.190 -9.166 1.00 0.00 C ATOM 333 C GLU A 30 5.416 5.546 -8.427 1.00 0.00 C ATOM 334 O GLU A 30 6.526 6.089 -8.302 1.00 0.00 O ATOM 335 CB GLU A 30 5.057 4.311 -10.696 1.00 0.00 C ATOM 336 CG GLU A 30 3.621 4.073 -11.173 1.00 0.00 C ATOM 337 CD GLU A 30 2.632 5.045 -10.610 1.00 0.00 C ATOM 338 OE1 GLU A 30 2.289 4.939 -9.407 1.00 0.00 O1- ATOM 339 OE2 GLU A 30 2.177 5.931 -11.329 1.00 0.00 O ATOM 0 H GLU A 30 3.388 3.342 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 30 6.268 3.746 -9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.367 5.307 -11.013 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.711 3.599 -11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.595 4.130 -12.261 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.319 3.062 -10.900 1.00 0.00 H new ATOM 346 N LYS A 31 4.314 6.058 -7.906 1.00 0.00 N ATOM 347 CA LYS A 31 4.274 7.373 -7.223 1.00 0.00 C ATOM 348 C LYS A 31 4.404 7.230 -5.701 1.00 0.00 C ATOM 349 O LYS A 31 4.344 8.213 -4.960 1.00 0.00 O ATOM 350 CB LYS A 31 2.961 8.080 -7.557 1.00 0.00 C ATOM 351 CG LYS A 31 2.763 8.345 -9.045 1.00 0.00 C ATOM 352 CD LYS A 31 1.388 8.943 -9.352 1.00 0.00 C ATOM 353 CE LYS A 31 0.244 7.997 -8.966 1.00 0.00 C ATOM 354 NZ LYS A 31 0.322 6.703 -9.658 1.00 0.00 N1+ ATOM 0 H LYS A 31 3.411 5.585 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 31 5.121 7.960 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.131 7.475 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.924 9.028 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.539 9.025 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.882 7.412 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.275 9.885 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.323 9.173 -10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.263 7.830 -7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.709 8.472 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.636 6.386 -9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.892 6.805 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.766 6.001 -9.032 1.00 0.00 H new ATOM 368 N ILE A 32 4.592 6.027 -5.280 1.00 0.00 N ATOM 369 CA ILE A 32 4.694 5.608 -3.885 1.00 0.00 C ATOM 370 C ILE A 32 6.034 6.011 -3.206 1.00 0.00 C ATOM 371 O ILE A 32 6.877 6.723 -3.758 1.00 0.00 O ATOM 372 CB ILE A 32 4.430 4.039 -3.746 1.00 0.00 C ATOM 373 CG1 ILE A 32 4.232 3.556 -2.281 1.00 0.00 C ATOM 374 CG2 ILE A 32 5.588 3.281 -4.348 1.00 0.00 C ATOM 375 CD1 ILE A 32 3.407 2.318 -2.149 1.00 0.00 C ATOM 0 H ILE A 32 4.688 5.244 -5.926 1.00 0.00 H new ATOM 0 HA ILE A 32 3.916 6.150 -3.348 1.00 0.00 H new ATOM 0 HB ILE A 32 3.497 3.843 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.210 3.376 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.762 4.355 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.410 2.210 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.685 3.542 -5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.507 3.543 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.318 2.050 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.415 2.496 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.885 1.503 -2.692 1.00 0.00 H new ATOM 387 N ILE A 33 6.026 5.718 -1.962 1.00 0.00 N ATOM 388 CA ILE A 33 7.098 5.610 -1.013 1.00 0.00 C ATOM 389 C ILE A 33 8.225 4.685 -1.517 1.00 0.00 C ATOM 390 O ILE A 33 8.520 4.652 -2.690 1.00 0.00 O ATOM 391 CB ILE A 33 6.650 5.248 0.430 1.00 0.00 C ATOM 392 CG1 ILE A 33 6.089 3.823 0.607 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.574 6.196 0.807 1.00 0.00 C ATOM 394 CD1 ILE A 33 5.890 3.454 2.060 1.00 0.00 C ATOM 0 H ILE A 33 5.136 5.516 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 33 7.503 6.619 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 33 7.542 5.306 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.137 3.743 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.769 3.108 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.231 5.974 1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.958 7.216 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.741 6.096 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.493 2.441 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.845 3.505 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.188 4.150 2.519 1.00 0.00 H new ATOM 406 N ALA A 34 8.790 3.942 -0.587 1.00 0.00 N ATOM 407 CA ALA A 34 10.070 3.263 -0.427 1.00 0.00 C ATOM 408 C ALA A 34 10.994 2.948 -1.552 1.00 0.00 C ATOM 409 O ALA A 34 12.070 2.404 -1.314 1.00 0.00 O ATOM 410 CB ALA A 34 9.517 1.910 -0.233 1.00 0.00 C ATOM 0 H ALA A 34 8.239 3.765 0.253 1.00 0.00 H new ATOM 0 HA ALA A 34 10.657 3.879 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.332 1.201 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.869 1.904 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.940 1.623 -1.112 1.00 0.00 H new ATOM 416 N GLU A 35 10.670 3.296 -2.687 1.00 0.00 N ATOM 417 CA GLU A 35 11.592 3.220 -3.712 1.00 0.00 C ATOM 418 C GLU A 35 12.275 4.610 -3.722 1.00 0.00 C ATOM 419 O GLU A 35 13.307 4.792 -4.320 1.00 0.00 O ATOM 420 CB GLU A 35 10.846 2.886 -5.030 1.00 0.00 C ATOM 421 CG GLU A 35 11.702 2.505 -6.256 1.00 0.00 C ATOM 422 CD GLU A 35 12.498 3.633 -6.888 1.00 0.00 C ATOM 423 OE1 GLU A 35 11.950 4.745 -7.023 1.00 0.00 O ATOM 424 OE2 GLU A 35 13.641 3.387 -7.350 1.00 0.00 O1- ATOM 0 H GLU A 35 9.750 3.648 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 35 12.342 2.439 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.161 2.063 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.237 3.749 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.396 1.719 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.045 2.081 -7.015 1.00 0.00 H new ATOM 431 N ARG A 36 11.714 5.576 -2.918 1.00 0.00 N ATOM 432 CA ARG A 36 12.175 6.949 -3.017 1.00 0.00 C ATOM 433 C ARG A 36 13.650 7.115 -2.624 1.00 0.00 C ATOM 434 O ARG A 36 14.449 7.431 -3.519 1.00 0.00 O ATOM 435 CB ARG A 36 11.229 7.861 -2.227 1.00 0.00 C ATOM 436 CG ARG A 36 9.804 7.938 -2.790 1.00 0.00 C ATOM 437 CD ARG A 36 9.729 8.327 -4.286 1.00 0.00 C ATOM 438 NE ARG A 36 10.051 7.215 -5.229 1.00 0.00 N ATOM 439 CZ ARG A 36 9.237 6.773 -6.216 1.00 0.00 C ATOM 440 NH1 ARG A 36 7.995 7.217 -6.317 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 9.650 5.860 -7.063 1.00 0.00 N ATOM 0 H ARG A 36 10.976 5.411 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 36 12.143 7.252 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.181 7.508 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.651 8.866 -2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.320 6.971 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.235 8.664 -2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.726 8.693 -4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.416 9.153 -4.469 1.00 0.00 H new ATOM 0 HE ARG A 36 10.954 6.753 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.641 7.900 -5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.391 6.877 -7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.592 5.477 -6.981 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.029 5.533 -7.803 1.00 0.00 H new ATOM 455 N HIS A 37 14.124 7.010 -1.368 1.00 0.00 N ATOM 456 CA HIS A 37 15.447 6.468 -1.327 1.00 0.00 C ATOM 457 C HIS A 37 15.303 5.035 -0.847 1.00 0.00 C ATOM 458 O HIS A 37 15.163 4.113 -1.621 1.00 0.00 O ATOM 459 CB HIS A 37 16.390 7.311 -0.443 1.00 0.00 C ATOM 460 CG HIS A 37 16.393 8.774 -0.812 1.00 0.00 C ATOM 461 ND1 HIS A 37 16.349 9.227 -2.117 1.00 0.00 N ATOM 462 CD2 HIS A 37 16.362 9.883 -0.035 1.00 0.00 C ATOM 463 CE1 HIS A 37 16.298 10.540 -2.125 1.00 0.00 C ATOM 464 NE2 HIS A 37 16.303 10.969 -0.876 1.00 0.00 N ATOM 0 H HIS A 37 13.668 7.261 -0.491 1.00 0.00 H new ATOM 0 HA HIS A 37 15.915 6.489 -2.311 1.00 0.00 H new ATOM 0 HB2 HIS A 37 16.092 7.206 0.600 1.00 0.00 H new ATOM 0 HB3 HIS A 37 17.404 6.919 -0.526 1.00 0.00 H new ATOM 0 HD1 HIS A 37 16.355 8.633 -2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.380 9.909 1.045 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.259 11.164 -3.006 1.00 0.00 H new ATOM 473 N PHE A 38 15.337 4.879 0.501 1.00 0.00 N ATOM 474 CA PHE A 38 14.652 3.904 1.352 1.00 0.00 C ATOM 475 C PHE A 38 13.528 4.595 2.148 1.00 0.00 C ATOM 476 O PHE A 38 12.554 3.997 2.605 1.00 0.00 O ATOM 477 CB PHE A 38 15.624 3.170 2.284 1.00 0.00 C ATOM 478 CG PHE A 38 16.521 2.194 1.572 1.00 0.00 C ATOM 479 CD1 PHE A 38 16.119 0.879 1.389 1.00 0.00 C ATOM 480 CD2 PHE A 38 17.758 2.586 1.084 1.00 0.00 C ATOM 481 CE1 PHE A 38 16.931 -0.025 0.734 1.00 0.00 C ATOM 482 CE2 PHE A 38 18.575 1.685 0.427 1.00 0.00 C ATOM 483 CZ PHE A 38 18.160 0.377 0.253 1.00 0.00 C ATOM 0 H PHE A 38 15.909 5.506 1.067 1.00 0.00 H new ATOM 0 HA PHE A 38 14.209 3.147 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.240 3.904 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 38 15.053 2.637 3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 38 15.158 0.558 1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.087 3.606 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 38 16.605 -1.046 0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 38 19.536 2.002 0.050 1.00 0.00 H new ATOM 0 HZ PHE A 38 18.797 -0.329 -0.259 1.00 0.00 H new ATOM 493 N ASP A 39 13.760 5.910 2.287 1.00 0.00 N ATOM 494 CA ASP A 39 13.281 6.809 3.384 1.00 0.00 C ATOM 495 C ASP A 39 11.913 6.573 4.001 1.00 0.00 C ATOM 496 O ASP A 39 11.843 6.094 5.127 1.00 0.00 O ATOM 497 CB ASP A 39 13.449 8.291 2.994 1.00 0.00 C ATOM 498 CG ASP A 39 12.818 8.623 1.663 1.00 0.00 C ATOM 499 OD1 ASP A 39 11.604 8.859 1.607 1.00 0.00 O1- ATOM 500 OD2 ASP A 39 13.537 8.589 0.658 1.00 0.00 O ATOM 0 H ASP A 39 14.320 6.418 1.602 1.00 0.00 H new ATOM 0 HA ASP A 39 13.944 6.520 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.005 8.918 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.511 8.534 2.958 1.00 0.00 H new ATOM 505 N HIS A 40 10.850 6.861 3.299 1.00 0.00 N ATOM 506 CA HIS A 40 9.498 6.798 3.887 1.00 0.00 C ATOM 507 C HIS A 40 9.089 5.397 4.339 1.00 0.00 C ATOM 508 O HIS A 40 8.177 5.231 5.135 1.00 0.00 O ATOM 509 CB HIS A 40 8.443 7.467 2.979 1.00 0.00 C ATOM 510 CG HIS A 40 8.689 8.945 2.777 1.00 0.00 C ATOM 511 ND1 HIS A 40 8.278 9.652 1.669 1.00 0.00 N ATOM 512 CD2 HIS A 40 9.334 9.845 3.561 1.00 0.00 C ATOM 513 CE1 HIS A 40 8.666 10.900 1.777 1.00 0.00 C ATOM 514 NE2 HIS A 40 9.309 11.050 2.914 1.00 0.00 N ATOM 0 H HIS A 40 10.872 7.143 2.319 1.00 0.00 H new ATOM 0 HA HIS A 40 9.544 7.384 4.805 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.438 6.969 2.009 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.454 7.325 3.415 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.753 9.265 0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.785 9.646 4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.487 11.678 1.050 1.00 0.00 H new ATOM 523 N LEU A 41 9.777 4.414 3.836 1.00 0.00 N ATOM 524 CA LEU A 41 9.526 3.036 4.172 1.00 0.00 C ATOM 525 C LEU A 41 10.396 2.627 5.375 1.00 0.00 C ATOM 526 O LEU A 41 9.944 1.940 6.312 1.00 0.00 O ATOM 527 CB LEU A 41 9.841 2.229 2.930 1.00 0.00 C ATOM 528 CG LEU A 41 9.440 0.762 2.850 1.00 0.00 C ATOM 529 CD1 LEU A 41 10.390 -0.134 3.586 1.00 0.00 C ATOM 530 CD2 LEU A 41 8.011 0.588 3.294 1.00 0.00 C ATOM 0 H LEU A 41 10.540 4.545 3.171 1.00 0.00 H new ATOM 0 HA LEU A 41 8.492 2.863 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.375 2.738 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.919 2.279 2.777 1.00 0.00 H new ATOM 0 HG LEU A 41 9.504 0.451 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.058 -1.168 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.388 -0.036 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.416 0.149 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.736 -0.465 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.906 0.931 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.356 1.172 2.648 1.00 0.00 H new ATOM 542 N ARG A 42 11.636 3.103 5.364 1.00 0.00 N ATOM 543 CA ARG A 42 12.616 2.808 6.411 1.00 0.00 C ATOM 544 C ARG A 42 12.229 3.544 7.708 1.00 0.00 C ATOM 545 O ARG A 42 12.788 3.283 8.787 1.00 0.00 O ATOM 546 CB ARG A 42 14.029 3.215 5.924 1.00 0.00 C ATOM 547 CG ARG A 42 15.183 2.821 6.827 1.00 0.00 C ATOM 548 CD ARG A 42 15.326 1.306 6.916 1.00 0.00 C ATOM 549 NE ARG A 42 15.584 0.670 5.607 1.00 0.00 N ATOM 550 CZ ARG A 42 15.478 -0.660 5.350 1.00 0.00 C ATOM 551 NH1 ARG A 42 15.107 -1.512 6.307 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 15.750 -1.135 4.136 1.00 0.00 N ATOM 0 H ARG A 42 11.995 3.708 4.626 1.00 0.00 H new ATOM 0 HA ARG A 42 12.625 1.739 6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.195 2.772 4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.049 4.297 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.109 3.254 6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.024 3.232 7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.141 1.063 7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.416 0.886 7.344 1.00 0.00 H new ATOM 0 HE ARG A 42 15.863 1.277 4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.899 -1.167 7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.031 -2.508 6.102 1.00 0.00 H new ATOM 0 HH21 ARG A 42 16.040 -0.499 3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 42 15.669 -2.134 3.949 1.00 0.00 H new ATOM 566 N ALA A 43 11.267 4.447 7.587 1.00 0.00 N ATOM 567 CA ALA A 43 10.720 5.160 8.715 1.00 0.00 C ATOM 568 C ALA A 43 10.122 4.181 9.717 1.00 0.00 C ATOM 569 O ALA A 43 10.490 4.180 10.896 1.00 0.00 O ATOM 570 CB ALA A 43 9.644 6.135 8.251 1.00 0.00 C ATOM 0 H ALA A 43 10.846 4.702 6.694 1.00 0.00 H new ATOM 0 HA ALA A 43 11.525 5.717 9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.239 6.667 9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.078 6.851 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.844 5.585 7.755 1.00 0.00 H new ATOM 576 N LYS A 44 9.269 3.281 9.244 1.00 0.00 N ATOM 577 CA LYS A 44 8.627 2.368 10.165 1.00 0.00 C ATOM 578 C LYS A 44 9.277 1.000 10.211 1.00 0.00 C ATOM 579 O LYS A 44 9.235 0.375 11.244 1.00 0.00 O ATOM 580 CB LYS A 44 7.150 2.214 9.856 1.00 0.00 C ATOM 581 CG LYS A 44 6.264 3.392 10.240 1.00 0.00 C ATOM 582 CD LYS A 44 4.835 3.028 9.925 1.00 0.00 C ATOM 583 CE LYS A 44 3.800 3.959 10.526 1.00 0.00 C ATOM 584 NZ LYS A 44 3.744 5.300 9.901 1.00 0.00 N1+ ATOM 0 H LYS A 44 9.015 3.169 8.262 1.00 0.00 H new ATOM 0 HA LYS A 44 8.750 2.822 11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.039 2.034 8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.782 1.325 10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.373 3.620 11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.559 4.285 9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.707 3.014 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.645 2.016 10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.818 3.492 10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.009 4.076 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.784 5.688 9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.422 5.932 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.987 5.224 8.893 1.00 0.00 H new ATOM 598 N LYS A 45 9.987 0.602 9.137 1.00 0.00 N ATOM 599 CA LYS A 45 10.698 -0.709 9.112 1.00 0.00 C ATOM 600 C LYS A 45 9.754 -1.890 9.417 1.00 0.00 C ATOM 601 O LYS A 45 9.871 -2.518 10.451 1.00 0.00 O ATOM 602 CB LYS A 45 11.886 -0.697 10.075 1.00 0.00 C ATOM 603 CG LYS A 45 12.888 0.389 9.758 1.00 0.00 C ATOM 604 CD LYS A 45 13.880 0.614 10.891 1.00 0.00 C ATOM 605 CE LYS A 45 13.183 1.148 12.152 1.00 0.00 C ATOM 606 NZ LYS A 45 12.411 2.403 11.885 1.00 0.00 N1+ ATOM 0 H LYS A 45 10.088 1.153 8.285 1.00 0.00 H new ATOM 0 HA LYS A 45 11.072 -0.854 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.521 -0.562 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.385 -1.666 10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.431 0.125 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.358 1.319 9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.387 -0.322 11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.646 1.320 10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.509 0.386 12.543 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.929 1.340 12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.574 3.081 12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.726 2.819 10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.397 2.181 11.827 1.00 0.00 H new ATOM 620 N ILE A 46 8.778 -2.077 8.526 1.00 0.00 N ATOM 621 CA ILE A 46 7.714 -3.123 8.608 1.00 0.00 C ATOM 622 C ILE A 46 8.271 -4.460 9.074 1.00 0.00 C ATOM 623 O ILE A 46 7.867 -5.001 10.097 1.00 0.00 O ATOM 624 CB ILE A 46 7.062 -3.437 7.199 1.00 0.00 C ATOM 625 CG1 ILE A 46 6.894 -2.202 6.348 1.00 0.00 C ATOM 626 CG2 ILE A 46 5.729 -4.183 7.320 1.00 0.00 C ATOM 627 CD1 ILE A 46 8.136 -1.889 5.561 1.00 0.00 C ATOM 0 H ILE A 46 8.689 -1.494 7.694 1.00 0.00 H new ATOM 0 HA ILE A 46 6.985 -2.711 9.306 1.00 0.00 H new ATOM 0 HB ILE A 46 7.770 -4.096 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.057 -2.344 5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.645 -1.353 6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.326 -4.372 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.888 -5.131 7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.023 -3.577 7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.971 -0.993 4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.968 -1.721 6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.371 -2.726 4.904 1.00 0.00 H new ATOM 639 N LEU A 47 9.188 -4.982 8.283 1.00 0.00 N ATOM 640 CA LEU A 47 9.701 -6.305 8.471 1.00 0.00 C ATOM 641 C LEU A 47 11.228 -6.245 8.585 1.00 0.00 C ATOM 642 O LEU A 47 11.785 -5.169 8.849 1.00 0.00 O ATOM 643 CB LEU A 47 9.257 -7.162 7.292 1.00 0.00 C ATOM 644 CG LEU A 47 7.751 -7.097 6.972 1.00 0.00 C ATOM 645 CD1 LEU A 47 7.406 -8.011 5.905 1.00 0.00 C ATOM 646 CD2 LEU A 47 6.867 -7.407 8.151 1.00 0.00 C ATOM 0 H LEU A 47 9.594 -4.488 7.489 1.00 0.00 H new ATOM 0 HA LEU A 47 9.318 -6.749 9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.815 -6.854 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.526 -8.199 7.494 1.00 0.00 H new ATOM 0 HG LEU A 47 7.573 -6.064 6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.338 -7.944 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.965 -7.749 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.655 -9.029 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.822 -7.342 7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.079 -8.414 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.060 -6.690 8.949 1.00 0.00 H new ATOM 658 N SER A 48 11.907 -7.341 8.324 1.00 0.00 N ATOM 659 CA SER A 48 13.328 -7.422 8.563 1.00 0.00 C ATOM 660 C SER A 48 14.177 -6.817 7.412 1.00 0.00 C ATOM 661 O SER A 48 13.655 -6.257 6.422 1.00 0.00 O ATOM 662 CB SER A 48 13.720 -8.880 8.833 1.00 0.00 C ATOM 663 OG SER A 48 12.963 -9.415 9.905 1.00 0.00 O ATOM 0 H SER A 48 11.493 -8.192 7.944 1.00 0.00 H new ATOM 0 HA SER A 48 13.547 -6.815 9.441 1.00 0.00 H new ATOM 0 HB2 SER A 48 13.559 -9.477 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.783 -8.938 9.068 1.00 0.00 H new ATOM 0 HG SER A 48 13.227 -10.346 10.060 1.00 0.00 H new ATOM 669 N ARG A 49 15.494 -6.923 7.576 1.00 0.00 N ATOM 670 CA ARG A 49 16.471 -6.397 6.640 1.00 0.00 C ATOM 671 C ARG A 49 16.301 -7.008 5.247 1.00 0.00 C ATOM 672 O ARG A 49 16.161 -6.275 4.256 1.00 0.00 O ATOM 673 CB ARG A 49 17.869 -6.698 7.161 1.00 0.00 C ATOM 674 CG ARG A 49 18.955 -6.156 6.372 1.00 0.00 C ATOM 675 CD ARG A 49 20.204 -6.521 7.062 1.00 0.00 C ATOM 676 NE ARG A 49 20.469 -7.956 6.925 1.00 0.00 N ATOM 677 CZ ARG A 49 21.321 -8.690 7.631 1.00 0.00 C ATOM 678 NH1 ARG A 49 22.226 -8.112 8.435 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 21.270 -10.008 7.517 1.00 0.00 N ATOM 0 H ARG A 49 15.915 -7.387 8.381 1.00 0.00 H new ATOM 0 HA ARG A 49 16.320 -5.321 6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.951 -6.310 8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 49 17.991 -7.779 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.939 -6.562 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.865 -5.073 6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 49 21.035 -5.951 6.647 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.133 -6.258 8.117 1.00 0.00 H new ATOM 0 HE ARG A 49 19.938 -8.447 6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 49 22.266 -7.096 8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.874 -8.689 8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 49 20.586 -10.440 6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 49 21.915 -10.591 8.050 1.00 0.00 H new ATOM 693 N GLU A 50 16.278 -8.332 5.189 1.00 0.00 N ATOM 694 CA GLU A 50 16.191 -9.070 3.929 1.00 0.00 C ATOM 695 C GLU A 50 14.904 -8.819 3.178 1.00 0.00 C ATOM 696 O GLU A 50 14.907 -8.776 1.947 1.00 0.00 O ATOM 697 CB GLU A 50 16.473 -10.569 4.120 1.00 0.00 C ATOM 698 CG GLU A 50 17.969 -10.933 4.146 1.00 0.00 C ATOM 699 CD GLU A 50 18.778 -10.158 5.166 1.00 0.00 C ATOM 700 OE1 GLU A 50 19.157 -9.004 4.887 1.00 0.00 O1- ATOM 701 OE2 GLU A 50 19.045 -10.675 6.257 1.00 0.00 O ATOM 0 H GLU A 50 16.319 -8.930 6.015 1.00 0.00 H new ATOM 0 HA GLU A 50 16.983 -8.674 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 50 16.015 -10.897 5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 50 15.990 -11.123 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.069 -11.998 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.391 -10.760 3.156 1.00 0.00 H new ATOM 708 N ASP A 51 13.826 -8.599 3.905 1.00 0.00 N ATOM 709 CA ASP A 51 12.531 -8.266 3.306 1.00 0.00 C ATOM 710 C ASP A 51 12.679 -6.990 2.502 1.00 0.00 C ATOM 711 O ASP A 51 12.273 -6.901 1.349 1.00 0.00 O ATOM 712 CB ASP A 51 11.483 -8.034 4.391 1.00 0.00 C ATOM 713 CG ASP A 51 11.335 -9.195 5.331 1.00 0.00 C ATOM 714 OD1 ASP A 51 12.145 -9.286 6.279 1.00 0.00 O1- ATOM 715 OD2 ASP A 51 10.427 -9.993 5.153 1.00 0.00 O ATOM 0 H ASP A 51 13.814 -8.644 4.924 1.00 0.00 H new ATOM 0 HA ASP A 51 12.213 -9.093 2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.752 -7.145 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.521 -7.832 3.920 1.00 0.00 H new ATOM 720 N THR A 52 13.331 -6.014 3.109 1.00 0.00 N ATOM 721 CA THR A 52 13.557 -4.739 2.472 1.00 0.00 C ATOM 722 C THR A 52 14.666 -4.806 1.381 1.00 0.00 C ATOM 723 O THR A 52 14.893 -3.843 0.646 1.00 0.00 O ATOM 724 CB THR A 52 13.813 -3.582 3.487 1.00 0.00 C ATOM 725 OG1 THR A 52 14.964 -3.854 4.326 1.00 0.00 O ATOM 726 CG2 THR A 52 12.583 -3.335 4.374 1.00 0.00 C ATOM 0 H THR A 52 13.715 -6.087 4.051 1.00 0.00 H new ATOM 0 HA THR A 52 12.623 -4.499 1.964 1.00 0.00 H new ATOM 0 HB THR A 52 14.012 -2.687 2.898 1.00 0.00 H new ATOM 0 HG1 THR A 52 15.229 -4.792 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.794 -2.523 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.732 -3.065 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.350 -4.241 4.933 1.00 0.00 H new ATOM 734 N ARG A 53 15.383 -5.924 1.314 1.00 0.00 N ATOM 735 CA ARG A 53 16.447 -6.088 0.331 1.00 0.00 C ATOM 736 C ARG A 53 15.919 -6.252 -1.099 1.00 0.00 C ATOM 737 O ARG A 53 16.519 -5.718 -2.026 1.00 0.00 O ATOM 738 CB ARG A 53 17.412 -7.235 0.680 1.00 0.00 C ATOM 739 CG ARG A 53 18.331 -6.978 1.880 1.00 0.00 C ATOM 740 CD ARG A 53 19.197 -5.741 1.664 1.00 0.00 C ATOM 741 NE ARG A 53 19.902 -5.782 0.367 1.00 0.00 N ATOM 742 CZ ARG A 53 20.234 -4.700 -0.367 1.00 0.00 C ATOM 743 NH1 ARG A 53 20.113 -3.472 0.149 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 20.717 -4.852 -1.606 1.00 0.00 N ATOM 0 H ARG A 53 15.246 -6.727 1.927 1.00 0.00 H new ATOM 0 HA ARG A 53 17.011 -5.156 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.826 -8.133 0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 53 18.031 -7.444 -0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.729 -6.850 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.969 -7.846 2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.573 -4.848 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.926 -5.662 2.471 1.00 0.00 H new ATOM 0 HE ARG A 53 20.157 -6.698 -0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 53 19.768 -3.351 1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 53 20.365 -2.657 -0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.834 -5.787 -1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.968 -4.033 -2.160 1.00 0.00 H new ATOM 758 N GLU A 54 14.777 -6.935 -1.269 1.00 0.00 N ATOM 759 CA GLU A 54 14.208 -7.191 -2.623 1.00 0.00 C ATOM 760 C GLU A 54 13.707 -5.881 -3.258 1.00 0.00 C ATOM 761 O GLU A 54 13.547 -5.762 -4.477 1.00 0.00 O ATOM 762 CB GLU A 54 13.064 -8.219 -2.546 1.00 0.00 C ATOM 763 CG GLU A 54 13.206 -9.416 -3.505 1.00 0.00 C ATOM 764 CD GLU A 54 13.238 -9.034 -4.976 1.00 0.00 C ATOM 765 OE1 GLU A 54 14.310 -8.666 -5.494 1.00 0.00 O ATOM 766 OE2 GLU A 54 12.188 -9.090 -5.663 1.00 0.00 O1- ATOM 0 H GLU A 54 14.226 -7.321 -0.502 1.00 0.00 H new ATOM 0 HA GLU A 54 14.999 -7.600 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.000 -8.595 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.123 -7.711 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.121 -9.956 -3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.376 -10.102 -3.337 1.00 0.00 H new ATOM 773 N ILE A 55 13.480 -4.902 -2.423 1.00 0.00 N ATOM 774 CA ILE A 55 13.037 -3.597 -2.869 1.00 0.00 C ATOM 775 C ILE A 55 14.260 -2.742 -3.321 1.00 0.00 C ATOM 776 O ILE A 55 14.142 -1.830 -4.142 1.00 0.00 O ATOM 777 CB ILE A 55 12.144 -2.870 -1.767 1.00 0.00 C ATOM 778 CG1 ILE A 55 12.713 -1.490 -1.374 1.00 0.00 C ATOM 779 CG2 ILE A 55 11.934 -3.756 -0.545 1.00 0.00 C ATOM 780 CD1 ILE A 55 11.886 -0.730 -0.372 1.00 0.00 C ATOM 0 H ILE A 55 13.596 -4.981 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 55 12.389 -3.724 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 55 11.167 -2.693 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.715 -1.628 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.815 -0.884 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.321 -3.229 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.431 -4.676 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.900 -3.998 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.363 0.226 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.890 -0.555 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.805 -1.310 0.547 1.00 0.00 H new ATOM 792 N SER A 56 15.453 -3.117 -2.841 1.00 0.00 N ATOM 793 CA SER A 56 16.698 -2.415 -3.173 1.00 0.00 C ATOM 794 C SER A 56 17.148 -2.797 -4.592 1.00 0.00 C ATOM 795 O SER A 56 18.014 -2.153 -5.189 1.00 0.00 O ATOM 796 CB SER A 56 17.779 -2.767 -2.139 1.00 0.00 C ATOM 797 OG SER A 56 19.020 -2.107 -2.396 1.00 0.00 O ATOM 0 H SER A 56 15.581 -3.912 -2.215 1.00 0.00 H new ATOM 0 HA SER A 56 16.532 -1.338 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.427 -2.496 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.938 -3.845 -2.138 1.00 0.00 H new ATOM 0 HG SER A 56 19.035 -1.787 -3.322 1.00 0.00 H new ATOM 803 N CYS A 57 16.523 -3.830 -5.082 1.00 0.00 N ATOM 804 CA CYS A 57 16.643 -4.411 -6.411 1.00 0.00 C ATOM 805 C CYS A 57 16.295 -3.461 -7.565 1.00 0.00 C ATOM 806 O CYS A 57 16.563 -3.796 -8.692 1.00 0.00 O ATOM 807 CB CYS A 57 15.933 -5.735 -6.506 1.00 0.00 C ATOM 808 SG CYS A 57 16.605 -6.964 -5.372 1.00 0.00 S ATOM 0 H CYS A 57 15.849 -4.344 -4.514 1.00 0.00 H new ATOM 0 HA CYS A 57 17.708 -4.600 -6.545 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.874 -5.591 -6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 57 16.006 -6.110 -7.527 1.00 0.00 H new ATOM 0 HG CYS A 57 15.790 -7.973 -5.293 1.00 0.00 H new ATOM 814 N ARG A 58 15.722 -2.284 -7.203 1.00 0.00 N ATOM 815 CA ARG A 58 14.987 -1.184 -7.975 1.00 0.00 C ATOM 816 C ARG A 58 15.126 -1.041 -9.540 1.00 0.00 C ATOM 817 O ARG A 58 14.834 0.027 -10.076 1.00 0.00 O ATOM 818 CB ARG A 58 15.345 0.153 -7.351 1.00 0.00 C ATOM 819 CG ARG A 58 16.799 0.553 -7.558 1.00 0.00 C ATOM 820 CD ARG A 58 17.099 1.860 -6.875 1.00 0.00 C ATOM 821 NE ARG A 58 16.986 1.738 -5.422 1.00 0.00 N ATOM 822 CZ ARG A 58 16.180 2.482 -4.658 1.00 0.00 C ATOM 823 NH1 ARG A 58 15.263 3.253 -5.208 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 16.246 2.378 -3.341 1.00 0.00 N ATOM 0 H ARG A 58 15.757 -2.023 -6.218 1.00 0.00 H new ATOM 0 HA ARG A 58 13.952 -1.510 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.701 0.925 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.137 0.113 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.454 -0.225 -7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.008 0.639 -8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.105 2.188 -7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 58 16.411 2.626 -7.232 1.00 0.00 H new ATOM 0 HE ARG A 58 17.563 1.036 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 58 15.165 3.285 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.651 3.818 -4.619 1.00 0.00 H new ATOM 0 HH21 ARG A 58 16.910 1.732 -2.913 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.633 2.943 -2.753 1.00 0.00 H new ATOM 838 N THR A 59 15.638 -2.015 -10.209 1.00 0.00 N ATOM 839 CA THR A 59 15.558 -2.162 -11.676 1.00 0.00 C ATOM 840 C THR A 59 14.070 -1.891 -12.172 1.00 0.00 C ATOM 841 O THR A 59 13.186 -1.772 -11.359 1.00 0.00 O ATOM 842 CB THR A 59 15.914 -3.629 -12.014 1.00 0.00 C ATOM 843 OG1 THR A 59 15.969 -3.823 -13.440 1.00 0.00 O ATOM 844 CG2 THR A 59 14.848 -4.551 -11.404 1.00 0.00 C ATOM 0 H THR A 59 16.149 -2.775 -9.761 1.00 0.00 H new ATOM 0 HA THR A 59 16.235 -1.456 -12.158 1.00 0.00 H new ATOM 0 HB THR A 59 16.894 -3.865 -11.600 1.00 0.00 H new ATOM 0 HG1 THR A 59 16.197 -4.756 -13.635 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.089 -5.589 -11.636 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.826 -4.417 -10.323 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.871 -4.303 -11.820 1.00 0.00 H new ATOM 852 N SER A 60 13.830 -1.997 -13.494 1.00 0.00 N ATOM 853 CA SER A 60 12.571 -1.583 -14.199 1.00 0.00 C ATOM 854 C SER A 60 11.316 -1.325 -13.285 1.00 0.00 C ATOM 855 O SER A 60 10.856 -2.202 -12.525 1.00 0.00 O ATOM 856 CB SER A 60 12.265 -2.614 -15.284 1.00 0.00 C ATOM 857 OG SER A 60 12.346 -3.920 -14.750 1.00 0.00 O ATOM 0 H SER A 60 14.523 -2.385 -14.134 1.00 0.00 H new ATOM 0 HA SER A 60 12.770 -0.599 -14.624 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.269 -2.440 -15.691 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.970 -2.506 -16.109 1.00 0.00 H new ATOM 0 HG SER A 60 12.147 -4.574 -15.452 1.00 0.00 H new ATOM 863 N SER A 61 10.735 -0.140 -13.505 1.00 0.00 N ATOM 864 CA SER A 61 9.687 0.535 -12.720 1.00 0.00 C ATOM 865 C SER A 61 8.657 -0.343 -11.955 1.00 0.00 C ATOM 866 O SER A 61 8.284 0.002 -10.826 1.00 0.00 O ATOM 867 CB SER A 61 8.974 1.500 -13.653 1.00 0.00 C ATOM 868 OG SER A 61 9.934 2.287 -14.346 1.00 0.00 O ATOM 0 H SER A 61 11.009 0.425 -14.309 1.00 0.00 H new ATOM 0 HA SER A 61 10.214 1.022 -11.899 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.359 0.948 -14.364 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.303 2.144 -13.084 1.00 0.00 H new ATOM 0 HG SER A 61 9.474 2.908 -14.949 1.00 0.00 H new ATOM 874 N ARG A 62 8.242 -1.445 -12.529 1.00 0.00 N ATOM 875 CA ARG A 62 7.172 -2.265 -11.963 1.00 0.00 C ATOM 876 C ARG A 62 7.652 -3.130 -10.786 1.00 0.00 C ATOM 877 O ARG A 62 6.888 -3.378 -9.859 1.00 0.00 O ATOM 878 CB ARG A 62 6.589 -3.171 -13.065 1.00 0.00 C ATOM 879 CG ARG A 62 5.384 -4.033 -12.663 1.00 0.00 C ATOM 880 CD ARG A 62 4.058 -3.260 -12.677 1.00 0.00 C ATOM 881 NE ARG A 62 3.988 -2.137 -11.721 1.00 0.00 N ATOM 882 CZ ARG A 62 3.051 -1.161 -11.765 1.00 0.00 C ATOM 883 NH1 ARG A 62 2.127 -1.155 -12.732 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 3.050 -0.200 -10.856 1.00 0.00 N ATOM 0 H ARG A 62 8.628 -1.808 -13.400 1.00 0.00 H new ATOM 0 HA ARG A 62 6.409 -1.589 -11.577 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.296 -2.543 -13.906 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.380 -3.831 -13.420 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.310 -4.882 -13.342 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.551 -4.437 -11.665 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.889 -2.874 -13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.246 -3.954 -12.461 1.00 0.00 H new ATOM 0 HE ARG A 62 4.689 -2.094 -10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.126 -1.888 -13.441 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.423 -0.417 -12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.756 -0.193 -10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.343 0.534 -10.891 1.00 0.00 H new ATOM 898 N LYS A 63 8.903 -3.562 -10.810 1.00 0.00 N ATOM 899 CA LYS A 63 9.380 -4.512 -9.798 1.00 0.00 C ATOM 900 C LYS A 63 9.701 -3.777 -8.491 1.00 0.00 C ATOM 901 O LYS A 63 9.433 -4.288 -7.401 1.00 0.00 O ATOM 902 CB LYS A 63 10.656 -5.260 -10.311 1.00 0.00 C ATOM 903 CG LYS A 63 10.828 -6.718 -9.796 1.00 0.00 C ATOM 904 CD LYS A 63 10.865 -6.828 -8.270 1.00 0.00 C ATOM 905 CE LYS A 63 12.208 -6.453 -7.646 1.00 0.00 C ATOM 906 NZ LYS A 63 13.142 -7.603 -7.639 1.00 0.00 N1+ ATOM 0 H LYS A 63 9.599 -3.282 -11.501 1.00 0.00 H new ATOM 0 HA LYS A 63 8.593 -5.242 -9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.632 -5.278 -11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.535 -4.684 -10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.008 -7.328 -10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.750 -7.132 -10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.091 -6.184 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.618 -7.851 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.651 -5.626 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.052 -6.103 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.907 -7.425 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.629 -8.465 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.547 -7.727 -8.589 1.00 0.00 H new ATOM 920 N ARG A 64 10.204 -2.561 -8.646 1.00 0.00 N ATOM 921 CA ARG A 64 10.780 -1.737 -7.561 1.00 0.00 C ATOM 922 C ARG A 64 9.931 -1.700 -6.286 1.00 0.00 C ATOM 923 O ARG A 64 10.289 -2.303 -5.281 1.00 0.00 O ATOM 924 CB ARG A 64 10.996 -0.325 -8.059 1.00 0.00 C ATOM 925 CG ARG A 64 11.699 -0.251 -9.386 1.00 0.00 C ATOM 926 CD ARG A 64 12.051 1.182 -9.756 1.00 0.00 C ATOM 927 NE ARG A 64 10.862 2.024 -9.995 1.00 0.00 N ATOM 928 CZ ARG A 64 10.910 3.361 -10.162 1.00 0.00 C ATOM 929 NH1 ARG A 64 12.031 4.025 -9.880 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 9.810 4.036 -10.534 1.00 0.00 N ATOM 0 H ARG A 64 10.229 -2.095 -9.553 1.00 0.00 H new ATOM 0 HA ARG A 64 11.724 -2.209 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.030 0.173 -8.142 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.577 0.226 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.608 -0.852 -9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.063 -0.681 -10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.646 1.622 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.673 1.178 -10.651 1.00 0.00 H new ATOM 0 HE ARG A 64 9.951 1.567 -10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.850 3.522 -9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.070 5.037 -10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.934 3.537 -10.691 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.850 5.047 -10.659 1.00 0.00 H new ATOM 944 N ALA A 65 8.798 -1.026 -6.338 1.00 0.00 N ATOM 945 CA ALA A 65 7.923 -0.982 -5.185 1.00 0.00 C ATOM 946 C ALA A 65 6.936 -2.143 -5.263 1.00 0.00 C ATOM 947 O ALA A 65 6.245 -2.456 -4.302 1.00 0.00 O ATOM 948 CB ALA A 65 7.186 0.359 -5.098 1.00 0.00 C ATOM 0 H ALA A 65 8.467 -0.510 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 65 8.522 -1.078 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.537 0.361 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.912 1.168 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.585 0.503 -5.996 1.00 0.00 H new ATOM 954 N GLY A 66 6.929 -2.806 -6.421 1.00 0.00 N ATOM 955 CA GLY A 66 6.018 -3.897 -6.695 1.00 0.00 C ATOM 956 C GLY A 66 6.198 -5.050 -5.744 1.00 0.00 C ATOM 957 O GLY A 66 5.222 -5.566 -5.206 1.00 0.00 O ATOM 0 H GLY A 66 7.561 -2.593 -7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.992 -3.534 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.170 -4.245 -7.717 1.00 0.00 H new ATOM 961 N LYS A 67 7.444 -5.452 -5.526 1.00 0.00 N ATOM 962 CA LYS A 67 7.732 -6.515 -4.572 1.00 0.00 C ATOM 963 C LYS A 67 7.603 -6.032 -3.155 1.00 0.00 C ATOM 964 O LYS A 67 7.268 -6.813 -2.279 1.00 0.00 O ATOM 965 CB LYS A 67 9.094 -7.160 -4.795 1.00 0.00 C ATOM 966 CG LYS A 67 9.129 -8.309 -5.810 1.00 0.00 C ATOM 967 CD LYS A 67 8.415 -9.573 -5.307 1.00 0.00 C ATOM 968 CE LYS A 67 7.042 -9.767 -5.938 1.00 0.00 C ATOM 969 NZ LYS A 67 6.352 -10.970 -5.399 1.00 0.00 N1+ ATOM 0 H LYS A 67 8.264 -5.063 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 67 6.982 -7.286 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.791 -6.389 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.459 -7.534 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.664 -7.980 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.166 -8.551 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.034 -10.444 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.307 -9.517 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.430 -8.884 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.149 -9.863 -7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.401 -11.040 -5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.899 -11.821 -5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.273 -10.891 -4.365 1.00 0.00 H new ATOM 983 N LEU A 68 7.839 -4.739 -2.939 1.00 0.00 N ATOM 984 CA LEU A 68 7.709 -4.168 -1.612 1.00 0.00 C ATOM 985 C LEU A 68 6.305 -4.355 -1.072 1.00 0.00 C ATOM 986 O LEU A 68 6.108 -4.954 -0.031 1.00 0.00 O ATOM 987 CB LEU A 68 8.049 -2.666 -1.554 1.00 0.00 C ATOM 988 CG LEU A 68 7.639 -2.004 -0.231 1.00 0.00 C ATOM 989 CD1 LEU A 68 8.521 -2.401 0.907 1.00 0.00 C ATOM 990 CD2 LEU A 68 7.504 -0.515 -0.328 1.00 0.00 C ATOM 0 H LEU A 68 8.119 -4.077 -3.663 1.00 0.00 H new ATOM 0 HA LEU A 68 8.433 -4.706 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.121 -2.537 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.551 -2.155 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 68 6.642 -2.389 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.186 -1.904 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.473 -3.481 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.548 -2.108 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.212 -0.112 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.458 -0.082 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.743 -0.266 -1.068 1.00 0.00 H new ATOM 1002 N LEU A 69 5.334 -3.877 -1.809 1.00 0.00 N ATOM 1003 CA LEU A 69 3.964 -3.862 -1.307 1.00 0.00 C ATOM 1004 C LEU A 69 3.415 -5.285 -1.299 1.00 0.00 C ATOM 1005 O LEU A 69 2.517 -5.625 -0.535 1.00 0.00 O ATOM 1006 CB LEU A 69 3.062 -2.965 -2.176 1.00 0.00 C ATOM 1007 CG LEU A 69 3.724 -1.753 -2.859 1.00 0.00 C ATOM 1008 CD1 LEU A 69 2.705 -0.962 -3.660 1.00 0.00 C ATOM 1009 CD2 LEU A 69 4.448 -0.856 -1.864 1.00 0.00 C ATOM 0 H LEU A 69 5.453 -3.496 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 69 3.971 -3.457 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.614 -3.586 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.248 -2.598 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 69 4.477 -2.142 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.195 -0.111 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.269 -1.602 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.918 -0.604 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.898 -0.016 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.737 -0.482 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.227 -1.427 -1.359 1.00 0.00 H new ATOM 1021 N ASP A 70 4.005 -6.092 -2.152 1.00 0.00 N ATOM 1022 CA ASP A 70 3.670 -7.496 -2.324 1.00 0.00 C ATOM 1023 C ASP A 70 3.909 -8.263 -1.047 1.00 0.00 C ATOM 1024 O ASP A 70 3.017 -8.949 -0.546 1.00 0.00 O ATOM 1025 CB ASP A 70 4.557 -8.061 -3.420 1.00 0.00 C ATOM 1026 CG ASP A 70 4.371 -9.528 -3.701 1.00 0.00 C ATOM 1027 OD1 ASP A 70 3.542 -9.865 -4.563 1.00 0.00 O ATOM 1028 OD2 ASP A 70 5.155 -10.341 -3.197 1.00 0.00 O1- ATOM 0 H ASP A 70 4.757 -5.783 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 70 2.616 -7.589 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.371 -7.505 -4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.598 -7.888 -3.148 1.00 0.00 H new ATOM 1033 N TYR A 71 5.093 -8.082 -0.476 1.00 0.00 N ATOM 1034 CA TYR A 71 5.478 -8.837 0.697 1.00 0.00 C ATOM 1035 C TYR A 71 4.692 -8.420 1.956 1.00 0.00 C ATOM 1036 O TYR A 71 4.629 -9.149 2.940 1.00 0.00 O ATOM 1037 CB TYR A 71 7.028 -8.873 0.910 1.00 0.00 C ATOM 1038 CG TYR A 71 7.771 -7.600 1.376 1.00 0.00 C ATOM 1039 CD1 TYR A 71 7.831 -7.312 2.707 1.00 0.00 C ATOM 1040 CD2 TYR A 71 8.493 -6.762 0.505 1.00 0.00 C ATOM 1041 CE1 TYR A 71 8.566 -6.256 3.191 1.00 0.00 C ATOM 1042 CE2 TYR A 71 9.218 -5.688 0.989 1.00 0.00 C ATOM 1043 CZ TYR A 71 9.252 -5.456 2.338 1.00 0.00 C ATOM 1044 OH TYR A 71 9.992 -4.417 2.842 1.00 0.00 O ATOM 0 H TYR A 71 5.796 -7.422 -0.808 1.00 0.00 H new ATOM 0 HA TYR A 71 5.190 -9.871 0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.238 -9.656 1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.478 -9.185 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.285 -7.932 3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.481 -6.961 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.597 -6.063 4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.752 -5.039 0.310 1.00 0.00 H new ATOM 0 HH TYR A 71 10.426 -3.937 2.106 1.00 0.00 H new ATOM 1054 N LEU A 72 4.078 -7.262 1.893 1.00 0.00 N ATOM 1055 CA LEU A 72 3.310 -6.716 3.011 1.00 0.00 C ATOM 1056 C LEU A 72 1.846 -7.148 2.932 1.00 0.00 C ATOM 1057 O LEU A 72 1.109 -6.992 3.899 1.00 0.00 O ATOM 1058 CB LEU A 72 3.240 -5.225 2.869 1.00 0.00 C ATOM 1059 CG LEU A 72 4.484 -4.494 2.476 1.00 0.00 C ATOM 1060 CD1 LEU A 72 4.095 -3.167 2.016 1.00 0.00 C ATOM 1061 CD2 LEU A 72 5.406 -4.293 3.613 1.00 0.00 C ATOM 0 H LEU A 72 4.091 -6.663 1.068 1.00 0.00 H new ATOM 0 HA LEU A 72 3.792 -7.056 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.472 -4.996 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.899 -4.815 3.820 1.00 0.00 H new ATOM 0 HG LEU A 72 4.989 -5.087 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.984 -2.609 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.425 -3.260 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.584 -2.638 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.292 -3.758 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.907 -3.712 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.700 -5.261 4.018 1.00 0.00 H new ATOM 1073 N GLN A 73 1.424 -7.656 1.763 1.00 0.00 N ATOM 1074 CA GLN A 73 -0.010 -7.817 1.459 1.00 0.00 C ATOM 1075 C GLN A 73 -0.764 -8.647 2.492 1.00 0.00 C ATOM 1076 O GLN A 73 -1.741 -8.167 3.045 1.00 0.00 O ATOM 1077 CB GLN A 73 -0.234 -8.384 0.041 1.00 0.00 C ATOM 1078 CG GLN A 73 -1.504 -7.861 -0.690 1.00 0.00 C ATOM 1079 CD GLN A 73 -2.811 -8.129 -0.057 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -3.471 -9.133 -0.279 1.00 0.00 O ATOM 1081 NE2 GLN A 73 -3.199 -7.228 0.763 1.00 0.00 N ATOM 0 H GLN A 73 2.049 -7.961 1.017 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.427 -6.811 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.639 -8.149 -0.569 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.294 -9.470 0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.403 -6.782 -0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.519 -8.294 -1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.622 -6.402 0.924 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.085 -7.335 1.256 1.00 0.00 H new ATOM 1090 N GLU A 74 -0.278 -9.823 2.830 1.00 0.00 N ATOM 1091 CA GLU A 74 -1.049 -10.691 3.726 1.00 0.00 C ATOM 1092 C GLU A 74 -0.682 -10.431 5.197 1.00 0.00 C ATOM 1093 O GLU A 74 -0.840 -11.266 6.086 1.00 0.00 O ATOM 1094 CB GLU A 74 -0.916 -12.157 3.318 1.00 0.00 C ATOM 1095 CG GLU A 74 -2.134 -12.982 3.720 1.00 0.00 C ATOM 1096 CD GLU A 74 -3.425 -12.317 3.249 1.00 0.00 C ATOM 1097 OE1 GLU A 74 -3.642 -12.184 2.027 1.00 0.00 O1- ATOM 1098 OE2 GLU A 74 -4.195 -11.822 4.085 1.00 0.00 O ATOM 0 H GLU A 74 0.616 -10.200 2.516 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.106 -10.444 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.777 -12.220 2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.024 -12.581 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.058 -13.981 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.156 -13.100 4.803 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.229 -9.243 5.418 1.00 0.00 N ATOM 1106 CA ASN A 75 0.050 -8.699 6.708 1.00 0.00 C ATOM 1107 C ASN A 75 -0.907 -7.528 6.863 1.00 0.00 C ATOM 1108 O ASN A 75 -0.606 -6.456 6.401 1.00 0.00 O ATOM 1109 CB ASN A 75 1.507 -8.235 6.860 1.00 0.00 C ATOM 1110 CG ASN A 75 1.828 -7.820 8.291 1.00 0.00 C ATOM 1111 OD1 ASN A 75 1.621 -6.682 8.688 1.00 0.00 O ATOM 1112 ND2 ASN A 75 2.351 -8.740 9.070 1.00 0.00 N ATOM 0 H ASN A 75 -0.032 -8.587 4.662 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.085 -9.457 7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.177 -9.039 6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.692 -7.396 6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.596 -8.513 10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.512 -9.681 8.711 1.00 0.00 H new ATOM 1119 N PRO A 76 -2.154 -7.790 7.338 1.00 0.00 N ATOM 1120 CA PRO A 76 -3.279 -6.820 7.385 1.00 0.00 C ATOM 1121 C PRO A 76 -2.922 -5.313 7.527 1.00 0.00 C ATOM 1122 O PRO A 76 -3.446 -4.488 6.773 1.00 0.00 O ATOM 1123 CB PRO A 76 -4.062 -7.305 8.591 1.00 0.00 C ATOM 1124 CG PRO A 76 -3.942 -8.791 8.521 1.00 0.00 C ATOM 1125 CD PRO A 76 -2.585 -9.090 7.914 1.00 0.00 C ATOM 0 HA PRO A 76 -3.805 -6.816 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.648 -6.914 9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.103 -6.985 8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.028 -9.233 9.513 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.740 -9.216 7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.881 -9.446 8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.652 -9.863 7.149 1.00 0.00 H new ATOM 1133 N LYS A 77 -2.042 -4.943 8.456 1.00 0.00 N ATOM 1134 CA LYS A 77 -1.723 -3.523 8.598 1.00 0.00 C ATOM 1135 C LYS A 77 -0.350 -3.209 7.971 1.00 0.00 C ATOM 1136 O LYS A 77 0.112 -2.088 8.010 1.00 0.00 O ATOM 1137 CB LYS A 77 -1.753 -3.043 10.072 1.00 0.00 C ATOM 1138 CG LYS A 77 -1.859 -1.511 10.192 1.00 0.00 C ATOM 1139 CD LYS A 77 -1.550 -0.977 11.580 1.00 0.00 C ATOM 1140 CE LYS A 77 -1.753 0.555 11.655 1.00 0.00 C ATOM 1141 NZ LYS A 77 -1.085 1.285 10.540 1.00 0.00 N1+ ATOM 0 H LYS A 77 -1.557 -5.573 9.095 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.502 -2.977 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.598 -3.504 10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.850 -3.382 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.176 -1.053 9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.867 -1.204 9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.193 -1.467 12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.522 -1.222 11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.820 0.776 11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.366 0.921 12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.153 2.309 10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.084 1.008 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.551 1.048 9.641 1.00 0.00 H new ATOM 1155 N GLY A 78 0.264 -4.191 7.366 1.00 0.00 N ATOM 1156 CA GLY A 78 1.584 -4.036 6.776 1.00 0.00 C ATOM 1157 C GLY A 78 1.577 -3.099 5.596 1.00 0.00 C ATOM 1158 O GLY A 78 2.408 -2.204 5.501 1.00 0.00 O ATOM 0 H GLY A 78 -0.131 -5.126 7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.275 -3.661 7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.955 -5.011 6.461 1.00 0.00 H new ATOM 1162 N LEU A 79 0.625 -3.274 4.704 1.00 0.00 N ATOM 1163 CA LEU A 79 0.529 -2.382 3.561 1.00 0.00 C ATOM 1164 C LEU A 79 -0.163 -1.085 4.004 1.00 0.00 C ATOM 1165 O LEU A 79 0.068 -0.009 3.442 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.225 -3.044 2.399 1.00 0.00 C ATOM 1167 CG LEU A 79 0.408 -2.888 0.994 1.00 0.00 C ATOM 1168 CD1 LEU A 79 -0.441 -3.553 -0.044 1.00 0.00 C ATOM 1169 CD2 LEU A 79 0.648 -1.435 0.617 1.00 0.00 C ATOM 0 H LEU A 79 -0.081 -4.009 4.742 1.00 0.00 H new ATOM 0 HA LEU A 79 1.531 -2.153 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.321 -4.108 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.234 -2.633 2.367 1.00 0.00 H new ATOM 0 HG LEU A 79 1.381 -3.377 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.021 -3.432 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.532 -4.615 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.431 -3.097 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.093 -1.386 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.300 -0.898 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.324 -0.978 1.340 1.00 0.00 H new ATOM 1181 N ASP A 80 -0.979 -1.195 5.052 1.00 0.00 N ATOM 1182 CA ASP A 80 -1.658 -0.031 5.642 1.00 0.00 C ATOM 1183 C ASP A 80 -0.620 0.922 6.219 1.00 0.00 C ATOM 1184 O ASP A 80 -0.733 2.135 6.115 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.642 -0.457 6.725 1.00 0.00 C ATOM 1186 CG ASP A 80 -3.266 0.722 7.448 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -4.262 1.278 6.943 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -2.782 1.066 8.541 1.00 0.00 O1- ATOM 0 H ASP A 80 -1.189 -2.079 5.514 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.224 0.475 4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.431 -1.061 6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.128 -1.090 7.448 1.00 0.00 H new ATOM 1193 N THR A 81 0.416 0.325 6.769 1.00 0.00 N ATOM 1194 CA THR A 81 1.601 0.987 7.279 1.00 0.00 C ATOM 1195 C THR A 81 2.198 1.953 6.232 1.00 0.00 C ATOM 1196 O THR A 81 2.775 3.003 6.580 1.00 0.00 O ATOM 1197 CB THR A 81 2.621 -0.126 7.702 1.00 0.00 C ATOM 1198 OG1 THR A 81 2.180 -0.745 8.913 1.00 0.00 O ATOM 1199 CG2 THR A 81 4.062 0.340 7.846 1.00 0.00 C ATOM 0 H THR A 81 0.458 -0.688 6.879 1.00 0.00 H new ATOM 0 HA THR A 81 1.351 1.602 8.143 1.00 0.00 H new ATOM 0 HB THR A 81 2.635 -0.841 6.879 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.380 -1.282 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.689 -0.502 8.141 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.413 0.737 6.894 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.118 1.119 8.607 1.00 0.00 H new ATOM 1207 N LEU A 82 2.009 1.631 4.965 1.00 0.00 N ATOM 1208 CA LEU A 82 2.549 2.443 3.919 1.00 0.00 C ATOM 1209 C LEU A 82 1.611 3.598 3.624 1.00 0.00 C ATOM 1210 O LEU A 82 2.017 4.746 3.705 1.00 0.00 O ATOM 1211 CB LEU A 82 2.830 1.644 2.640 1.00 0.00 C ATOM 1212 CG LEU A 82 3.621 0.325 2.774 1.00 0.00 C ATOM 1213 CD1 LEU A 82 4.320 -0.011 1.506 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.589 0.293 3.930 1.00 0.00 C ATOM 0 H LEU A 82 1.486 0.814 4.648 1.00 0.00 H new ATOM 0 HA LEU A 82 3.507 2.829 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.873 1.414 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.374 2.292 1.953 1.00 0.00 H new ATOM 0 HG LEU A 82 2.870 -0.435 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.869 -0.945 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.588 -0.123 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.016 0.788 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.101 -0.669 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.321 1.092 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.045 0.433 4.864 1.00 0.00 H new ATOM 1226 N VAL A 83 0.338 3.291 3.338 1.00 0.00 N ATOM 1227 CA VAL A 83 -0.671 4.328 3.018 1.00 0.00 C ATOM 1228 C VAL A 83 -0.841 5.338 4.166 1.00 0.00 C ATOM 1229 O VAL A 83 -1.055 6.540 3.937 1.00 0.00 O ATOM 1230 CB VAL A 83 -2.056 3.720 2.571 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -2.545 2.665 3.534 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -3.113 4.807 2.431 1.00 0.00 C ATOM 0 H VAL A 83 -0.023 2.337 3.320 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.281 4.872 2.158 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.892 3.251 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.501 2.273 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.818 1.855 3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.669 3.105 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.057 4.359 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.247 5.310 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.793 5.531 1.682 1.00 0.00 H new ATOM 1242 N GLU A 84 -0.696 4.855 5.383 1.00 0.00 N ATOM 1243 CA GLU A 84 -0.758 5.682 6.569 1.00 0.00 C ATOM 1244 C GLU A 84 0.333 6.753 6.501 1.00 0.00 C ATOM 1245 O GLU A 84 0.095 7.921 6.808 1.00 0.00 O ATOM 1246 CB GLU A 84 -0.514 4.821 7.798 1.00 0.00 C ATOM 1247 CG GLU A 84 -0.652 5.546 9.116 1.00 0.00 C ATOM 1248 CD GLU A 84 0.116 4.851 10.201 1.00 0.00 C ATOM 1249 OE1 GLU A 84 -0.327 3.782 10.679 1.00 0.00 O ATOM 1250 OE2 GLU A 84 1.204 5.353 10.554 1.00 0.00 O1- ATOM 0 H GLU A 84 -0.530 3.868 5.578 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.740 6.151 6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.214 3.985 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.489 4.398 7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.292 6.569 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.705 5.605 9.393 1.00 0.00 H new ATOM 1257 N SER A 85 1.499 6.342 6.045 1.00 0.00 N ATOM 1258 CA SER A 85 2.658 7.197 5.973 1.00 0.00 C ATOM 1259 C SER A 85 2.620 8.078 4.706 1.00 0.00 C ATOM 1260 O SER A 85 3.200 9.163 4.681 1.00 0.00 O ATOM 1261 CB SER A 85 3.917 6.326 6.013 1.00 0.00 C ATOM 1262 OG SER A 85 3.869 5.420 7.136 1.00 0.00 O ATOM 0 H SER A 85 1.666 5.393 5.711 1.00 0.00 H new ATOM 0 HA SER A 85 2.665 7.875 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.005 5.760 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.802 6.958 6.086 1.00 0.00 H new ATOM 0 HG SER A 85 3.520 4.553 6.842 1.00 0.00 H new ATOM 1268 N ILE A 86 1.895 7.616 3.675 1.00 0.00 N ATOM 1269 CA ILE A 86 1.730 8.372 2.424 1.00 0.00 C ATOM 1270 C ILE A 86 0.855 9.631 2.671 1.00 0.00 C ATOM 1271 O ILE A 86 0.856 10.567 1.882 1.00 0.00 O ATOM 1272 CB ILE A 86 1.110 7.524 1.228 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.911 6.250 0.970 1.00 0.00 C ATOM 1274 CG2 ILE A 86 1.089 8.344 -0.077 1.00 0.00 C ATOM 1275 CD1 ILE A 86 1.372 5.420 -0.192 1.00 0.00 C ATOM 0 H ILE A 86 1.412 6.718 3.684 1.00 0.00 H new ATOM 0 HA ILE A 86 2.736 8.654 2.115 1.00 0.00 H new ATOM 0 HB ILE A 86 0.094 7.264 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.948 6.517 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.911 5.640 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.661 7.742 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.485 9.240 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.106 8.631 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.988 4.530 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.345 5.123 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.398 6.013 -1.106 1.00 0.00 H new ATOM 1287 N ARG A 87 0.134 9.624 3.796 1.00 0.00 N ATOM 1288 CA ARG A 87 -0.887 10.634 4.167 1.00 0.00 C ATOM 1289 C ARG A 87 -0.479 12.086 3.756 1.00 0.00 C ATOM 1290 O ARG A 87 -1.135 12.717 2.937 1.00 0.00 O ATOM 1291 CB ARG A 87 -1.091 10.580 5.687 1.00 0.00 C ATOM 1292 CG ARG A 87 -2.409 11.124 6.180 1.00 0.00 C ATOM 1293 CD ARG A 87 -3.526 10.120 5.929 1.00 0.00 C ATOM 1294 NE ARG A 87 -3.297 8.843 6.659 1.00 0.00 N ATOM 1295 CZ ARG A 87 -4.237 7.897 6.906 1.00 0.00 C ATOM 1296 NH1 ARG A 87 -5.489 8.047 6.446 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 -3.917 6.805 7.611 1.00 0.00 N ATOM 0 H ARG A 87 0.241 8.896 4.502 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.805 10.395 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.000 9.544 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.285 11.137 6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.343 11.345 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.634 12.062 5.673 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.478 10.550 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.601 9.919 4.860 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.353 8.664 7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.738 8.876 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.191 7.332 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.967 6.685 7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.623 6.093 7.797 1.00 0.00 H new ATOM 1311 N ARG A 88 0.559 12.594 4.369 1.00 0.00 N ATOM 1312 CA ARG A 88 1.116 13.920 4.059 1.00 0.00 C ATOM 1313 C ARG A 88 2.264 13.809 3.012 1.00 0.00 C ATOM 1314 O ARG A 88 2.690 14.806 2.436 1.00 0.00 O ATOM 1315 CB ARG A 88 1.562 14.631 5.395 1.00 0.00 C ATOM 1316 CG ARG A 88 2.108 16.078 5.273 1.00 0.00 C ATOM 1317 CD ARG A 88 3.581 16.115 4.866 1.00 0.00 C ATOM 1318 NE ARG A 88 4.034 17.458 4.463 1.00 0.00 N ATOM 1319 CZ ARG A 88 4.595 17.739 3.258 1.00 0.00 C ATOM 1320 NH1 ARG A 88 4.619 16.813 2.300 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 5.078 18.959 3.008 1.00 0.00 N ATOM 0 H ARG A 88 1.060 12.105 5.111 1.00 0.00 H new ATOM 0 HA ARG A 88 0.350 14.544 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.708 14.647 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.330 14.017 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.517 16.625 4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.985 16.591 6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.191 15.767 5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.742 15.421 4.041 1.00 0.00 H new ATOM 0 HE ARG A 88 3.920 18.222 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.216 15.892 2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.041 17.025 1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.027 19.684 3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.498 19.165 2.102 1.00 0.00 H new ATOM 1335 N GLU A 89 2.615 12.580 2.690 1.00 0.00 N ATOM 1336 CA GLU A 89 3.943 12.160 2.198 1.00 0.00 C ATOM 1337 C GLU A 89 4.694 13.167 1.310 1.00 0.00 C ATOM 1338 O GLU A 89 5.633 13.811 1.783 1.00 0.00 O ATOM 1339 CB GLU A 89 3.771 10.907 1.354 1.00 0.00 C ATOM 1340 CG GLU A 89 4.976 9.974 1.380 1.00 0.00 C ATOM 1341 CD GLU A 89 5.355 9.464 0.011 1.00 0.00 C ATOM 1342 OE1 GLU A 89 4.487 9.133 -0.783 1.00 0.00 O ATOM 1343 OE2 GLU A 89 6.574 9.382 -0.299 1.00 0.00 O1- ATOM 0 H GLU A 89 1.963 11.799 2.762 1.00 0.00 H new ATOM 0 HA GLU A 89 4.536 12.030 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.895 10.362 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.573 11.200 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.826 10.500 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.759 9.127 2.030 1.00 0.00 H new ATOM 1350 N LYS A 90 4.292 13.336 0.069 1.00 0.00 N ATOM 1351 CA LYS A 90 5.077 14.193 -0.796 1.00 0.00 C ATOM 1352 C LYS A 90 4.587 15.619 -0.838 1.00 0.00 C ATOM 1353 O LYS A 90 5.264 16.548 -0.381 1.00 0.00 O ATOM 1354 CB LYS A 90 5.160 13.603 -2.204 1.00 0.00 C ATOM 1355 CG LYS A 90 5.819 12.236 -2.248 1.00 0.00 C ATOM 1356 CD LYS A 90 5.916 11.707 -3.662 1.00 0.00 C ATOM 1357 CE LYS A 90 6.608 10.352 -3.703 1.00 0.00 C ATOM 1358 NZ LYS A 90 5.834 9.285 -3.034 1.00 0.00 N1+ ATOM 0 H LYS A 90 3.464 12.913 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 90 6.077 14.232 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.154 13.527 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.717 14.287 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.817 12.299 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.249 11.537 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.917 11.620 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.466 12.417 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.781 10.070 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.586 10.436 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.445 8.786 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.028 9.705 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.484 8.612 -3.745 1.00 0.00 H new ATOM 1372 N THR A 91 3.404 15.790 -1.343 1.00 0.00 N ATOM 1373 CA THR A 91 2.853 17.098 -1.494 1.00 0.00 C ATOM 1374 C THR A 91 1.658 17.307 -0.579 1.00 0.00 C ATOM 1375 O THR A 91 1.607 18.267 0.183 1.00 0.00 O ATOM 1376 CB THR A 91 2.438 17.311 -2.962 1.00 0.00 C ATOM 1377 OG1 THR A 91 3.513 16.871 -3.810 1.00 0.00 O ATOM 1378 CG2 THR A 91 2.153 18.782 -3.245 1.00 0.00 C ATOM 0 H THR A 91 2.799 15.032 -1.659 1.00 0.00 H new ATOM 0 HA THR A 91 3.615 17.826 -1.215 1.00 0.00 H new ATOM 0 HB THR A 91 1.529 16.741 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.262 16.999 -4.749 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.862 18.902 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.344 19.126 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.049 19.371 -3.048 1.00 0.00 H new ATOM 1386 N GLN A 92 0.724 16.366 -0.640 1.00 0.00 N ATOM 1387 CA GLN A 92 -0.539 16.485 0.038 1.00 0.00 C ATOM 1388 C GLN A 92 -1.283 15.153 -0.012 1.00 0.00 C ATOM 1389 O GLN A 92 -0.747 14.146 -0.489 1.00 0.00 O ATOM 1390 CB GLN A 92 -1.395 17.583 -0.639 1.00 0.00 C ATOM 1391 CG GLN A 92 -1.580 17.381 -2.141 1.00 0.00 C ATOM 1392 CD GLN A 92 -2.518 18.387 -2.758 1.00 0.00 C ATOM 1393 OE1 GLN A 92 -3.705 18.159 -2.840 1.00 0.00 O ATOM 1394 NE2 GLN A 92 -1.989 19.503 -3.192 1.00 0.00 N ATOM 0 H GLN A 92 0.832 15.499 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.360 16.757 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.375 17.612 -0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.928 18.553 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.610 17.447 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.962 16.377 -2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.985 19.659 -3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.581 20.217 -3.617 1.00 0.00 H new ATOM 1403 N ASN A 93 -2.531 15.212 0.391 1.00 0.00 N ATOM 1404 CA ASN A 93 -3.471 14.088 0.513 1.00 0.00 C ATOM 1405 C ASN A 93 -3.954 13.538 -0.838 1.00 0.00 C ATOM 1406 O ASN A 93 -4.737 12.609 -0.853 1.00 0.00 O ATOM 1407 CB ASN A 93 -4.688 14.471 1.387 1.00 0.00 C ATOM 1408 CG ASN A 93 -5.541 15.589 0.787 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -5.048 16.449 0.080 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -6.820 15.591 1.083 1.00 0.00 N ATOM 0 H ASN A 93 -2.958 16.097 0.663 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.908 13.290 0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.311 13.589 1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.336 14.781 2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.427 16.325 0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.207 14.858 1.678 1.00 0.00 H new ATOM 1417 N PHE A 94 -3.563 14.177 -1.939 1.00 0.00 N ATOM 1418 CA PHE A 94 -3.967 13.802 -3.327 1.00 0.00 C ATOM 1419 C PHE A 94 -4.085 12.262 -3.552 1.00 0.00 C ATOM 1420 O PHE A 94 -5.159 11.772 -3.911 1.00 0.00 O ATOM 1421 CB PHE A 94 -2.980 14.419 -4.340 1.00 0.00 C ATOM 1422 CG PHE A 94 -3.281 14.113 -5.789 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -4.269 14.808 -6.468 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -2.566 13.135 -6.472 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -4.540 14.535 -7.796 1.00 0.00 C ATOM 1426 CE2 PHE A 94 -2.833 12.859 -7.797 1.00 0.00 C ATOM 1427 CZ PHE A 94 -3.822 13.559 -8.461 1.00 0.00 C ATOM 0 H PHE A 94 -2.945 14.988 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.968 14.205 -3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.973 15.501 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.976 14.063 -4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.834 15.572 -5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.792 12.584 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -5.313 15.084 -8.314 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.270 12.097 -8.315 1.00 0.00 H new ATOM 0 HZ PHE A 94 -4.034 13.344 -9.498 1.00 0.00 H new ATOM 1437 N LEU A 95 -3.005 11.505 -3.307 1.00 0.00 N ATOM 1438 CA LEU A 95 -3.062 10.035 -3.478 1.00 0.00 C ATOM 1439 C LEU A 95 -4.002 9.398 -2.500 1.00 0.00 C ATOM 1440 O LEU A 95 -4.732 8.468 -2.836 1.00 0.00 O ATOM 1441 CB LEU A 95 -1.690 9.367 -3.341 1.00 0.00 C ATOM 1442 CG LEU A 95 -0.770 9.424 -4.560 1.00 0.00 C ATOM 1443 CD1 LEU A 95 0.530 8.708 -4.257 1.00 0.00 C ATOM 1444 CD2 LEU A 95 -1.433 8.722 -5.720 1.00 0.00 C ATOM 0 H LEU A 95 -2.103 11.867 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.425 9.879 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.170 9.828 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.847 8.320 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.574 10.468 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.182 8.752 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.022 9.189 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.323 7.667 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.779 8.761 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.623 7.682 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.377 9.215 -5.953 1.00 0.00 H new ATOM 1456 N ILE A 96 -4.019 9.947 -1.325 1.00 0.00 N ATOM 1457 CA ILE A 96 -4.780 9.428 -0.214 1.00 0.00 C ATOM 1458 C ILE A 96 -6.260 9.528 -0.536 1.00 0.00 C ATOM 1459 O ILE A 96 -7.037 8.646 -0.199 1.00 0.00 O ATOM 1460 CB ILE A 96 -4.494 10.240 1.075 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -2.994 10.605 1.186 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -4.960 9.479 2.313 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -2.032 9.447 1.142 1.00 0.00 C ATOM 0 H ILE A 96 -3.493 10.791 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.492 8.390 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.060 11.169 1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.745 11.290 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.839 11.146 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.748 10.070 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.032 9.296 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.433 8.527 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.011 9.819 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.242 8.768 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.146 8.915 0.198 1.00 0.00 H new ATOM 1475 N GLN A 97 -6.626 10.595 -1.231 1.00 0.00 N ATOM 1476 CA GLN A 97 -7.993 10.829 -1.650 1.00 0.00 C ATOM 1477 C GLN A 97 -8.424 9.737 -2.630 1.00 0.00 C ATOM 1478 O GLN A 97 -9.519 9.201 -2.532 1.00 0.00 O ATOM 1479 CB GLN A 97 -8.122 12.221 -2.293 1.00 0.00 C ATOM 1480 CG GLN A 97 -9.551 12.618 -2.666 1.00 0.00 C ATOM 1481 CD GLN A 97 -10.490 12.708 -1.463 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -11.669 12.457 -1.573 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -9.972 13.096 -0.320 1.00 0.00 N ATOM 0 H GLN A 97 -5.976 11.326 -1.520 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.647 10.796 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.720 12.964 -1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.504 12.251 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.531 13.582 -3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.949 11.891 -3.374 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.975 13.301 -0.255 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.567 13.192 0.503 1.00 0.00 H new ATOM 1492 N LYS A 98 -7.519 9.366 -3.528 1.00 0.00 N ATOM 1493 CA LYS A 98 -7.796 8.314 -4.501 1.00 0.00 C ATOM 1494 C LYS A 98 -7.937 6.951 -3.794 1.00 0.00 C ATOM 1495 O LYS A 98 -8.676 6.064 -4.249 1.00 0.00 O ATOM 1496 CB LYS A 98 -6.695 8.243 -5.581 1.00 0.00 C ATOM 1497 CG LYS A 98 -6.945 7.156 -6.621 1.00 0.00 C ATOM 1498 CD LYS A 98 -8.158 7.475 -7.495 1.00 0.00 C ATOM 1499 CE LYS A 98 -8.740 6.209 -8.091 1.00 0.00 C ATOM 1500 NZ LYS A 98 -9.390 5.392 -7.046 1.00 0.00 N1+ ATOM 0 H LYS A 98 -6.588 9.777 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.737 8.557 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.624 9.208 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.734 8.063 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.062 7.045 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.100 6.201 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.916 7.984 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.867 8.158 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.465 6.465 -8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.951 5.632 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.224 4.384 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.991 5.636 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.413 5.581 -7.044 1.00 0.00 H new ATOM 1514 N ILE A 99 -7.212 6.791 -2.709 1.00 0.00 N ATOM 1515 CA ILE A 99 -7.274 5.583 -1.902 1.00 0.00 C ATOM 1516 C ILE A 99 -8.579 5.576 -1.095 1.00 0.00 C ATOM 1517 O ILE A 99 -9.215 4.535 -0.926 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.049 5.499 -0.959 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -4.761 5.520 -1.796 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -6.116 4.234 -0.097 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.486 5.610 -0.994 1.00 0.00 C ATOM 0 H ILE A 99 -6.561 7.493 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.255 4.712 -2.557 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.053 6.358 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.727 4.618 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.803 6.367 -2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.246 4.194 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.024 4.252 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.126 3.355 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.631 5.619 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.491 6.526 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.413 4.750 -0.328 1.00 0.00 H new ATOM 1533 N THR A 100 -8.975 6.757 -0.634 1.00 0.00 N ATOM 1534 CA THR A 100 -10.223 6.945 0.084 1.00 0.00 C ATOM 1535 C THR A 100 -11.384 6.553 -0.841 1.00 0.00 C ATOM 1536 O THR A 100 -12.284 5.802 -0.442 1.00 0.00 O ATOM 1537 CB THR A 100 -10.370 8.424 0.546 1.00 0.00 C ATOM 1538 OG1 THR A 100 -9.224 8.798 1.340 1.00 0.00 O ATOM 1539 CG2 THR A 100 -11.631 8.620 1.376 1.00 0.00 C ATOM 0 H THR A 100 -8.434 7.614 -0.750 1.00 0.00 H new ATOM 0 HA THR A 100 -10.233 6.316 0.974 1.00 0.00 H new ATOM 0 HB THR A 100 -10.437 9.050 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.462 8.979 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 100 -11.706 9.663 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 100 -12.504 8.354 0.780 1.00 0.00 H new ATOM 0 HG23 THR A 100 -11.588 7.983 2.260 1.00 0.00 H new ATOM 1547 N ASP A 101 -11.311 7.038 -2.087 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.263 6.677 -3.148 1.00 0.00 C ATOM 1549 C ASP A 101 -12.378 5.173 -3.274 1.00 0.00 C ATOM 1550 O ASP A 101 -13.475 4.638 -3.250 1.00 0.00 O ATOM 1551 CB ASP A 101 -11.840 7.293 -4.493 1.00 0.00 C ATOM 1552 CG ASP A 101 -12.521 6.643 -5.695 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -13.709 6.839 -5.903 1.00 0.00 O1- ATOM 1554 OD2 ASP A 101 -11.821 5.905 -6.432 1.00 0.00 O ATOM 0 H ASP A 101 -10.590 7.693 -2.389 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.239 7.078 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -12.071 8.358 -4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.759 7.202 -4.603 1.00 0.00 H new ATOM 1559 N GLU A 102 -11.231 4.491 -3.341 1.00 0.00 N ATOM 1560 CA GLU A 102 -11.218 3.042 -3.439 1.00 0.00 C ATOM 1561 C GLU A 102 -11.953 2.390 -2.299 1.00 0.00 C ATOM 1562 O GLU A 102 -12.884 1.668 -2.532 1.00 0.00 O ATOM 1563 CB GLU A 102 -9.808 2.460 -3.562 1.00 0.00 C ATOM 1564 CG GLU A 102 -9.153 2.731 -4.898 1.00 0.00 C ATOM 1565 CD GLU A 102 -9.997 2.222 -6.047 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -10.607 1.169 -5.929 1.00 0.00 O1- ATOM 1567 OE2 GLU A 102 -10.132 2.929 -7.069 1.00 0.00 O ATOM 0 H GLU A 102 -10.307 4.923 -3.329 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.745 2.813 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.183 2.874 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.854 1.383 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.990 3.803 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.173 2.254 -4.927 1.00 0.00 H new ATOM 1574 N VAL A 103 -11.573 2.702 -1.078 1.00 0.00 N ATOM 1575 CA VAL A 103 -12.181 2.082 0.101 1.00 0.00 C ATOM 1576 C VAL A 103 -13.711 2.302 0.144 1.00 0.00 C ATOM 1577 O VAL A 103 -14.475 1.357 0.321 1.00 0.00 O ATOM 1578 CB VAL A 103 -11.501 2.570 1.416 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -12.169 1.973 2.645 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -10.018 2.210 1.404 1.00 0.00 C ATOM 0 H VAL A 103 -10.844 3.383 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 103 -12.012 1.008 0.020 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.612 3.653 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.669 2.335 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -13.218 2.269 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.100 0.886 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.552 2.555 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.907 1.129 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.534 2.689 0.552 1.00 0.00 H new ATOM 1590 N LEU A 104 -14.143 3.524 -0.098 1.00 0.00 N ATOM 1591 CA LEU A 104 -15.573 3.842 -0.103 1.00 0.00 C ATOM 1592 C LEU A 104 -16.307 3.146 -1.271 1.00 0.00 C ATOM 1593 O LEU A 104 -17.412 2.626 -1.106 1.00 0.00 O ATOM 1594 CB LEU A 104 -15.814 5.370 -0.144 1.00 0.00 C ATOM 1595 CG LEU A 104 -15.737 6.151 1.196 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -14.409 5.962 1.915 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -16.002 7.630 0.959 1.00 0.00 C ATOM 0 H LEU A 104 -13.533 4.317 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.987 3.459 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -15.086 5.806 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -16.800 5.542 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 104 -16.509 5.740 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.414 6.531 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.263 4.905 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.597 6.314 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -15.945 8.166 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.256 8.028 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -16.996 7.757 0.529 1.00 0.00 H new ATOM 1609 N LYS A 105 -15.679 3.124 -2.429 1.00 0.00 N ATOM 1610 CA LYS A 105 -16.236 2.494 -3.629 1.00 0.00 C ATOM 1611 C LYS A 105 -16.217 0.958 -3.516 1.00 0.00 C ATOM 1612 O LYS A 105 -17.091 0.262 -4.050 1.00 0.00 O ATOM 1613 CB LYS A 105 -15.468 3.010 -4.864 1.00 0.00 C ATOM 1614 CG LYS A 105 -15.754 2.322 -6.189 1.00 0.00 C ATOM 1615 CD LYS A 105 -15.151 3.107 -7.367 1.00 0.00 C ATOM 1616 CE LYS A 105 -13.653 3.419 -7.200 1.00 0.00 C ATOM 1617 NZ LYS A 105 -12.810 2.203 -7.117 1.00 0.00 N1+ ATOM 0 H LYS A 105 -14.761 3.543 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.285 2.769 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.685 4.072 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.401 2.923 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.343 1.313 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.831 2.226 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.294 2.536 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.697 4.043 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.319 4.028 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.511 4.014 -6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.862 2.412 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.734 1.901 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.242 1.442 -7.679 1.00 0.00 H new ATOM 1631 N LEU A 106 -15.252 0.451 -2.776 1.00 0.00 N ATOM 1632 CA LEU A 106 -15.088 -0.978 -2.516 1.00 0.00 C ATOM 1633 C LEU A 106 -16.222 -1.528 -1.662 1.00 0.00 C ATOM 1634 O LEU A 106 -16.411 -2.732 -1.599 1.00 0.00 O ATOM 1635 CB LEU A 106 -13.739 -1.252 -1.823 1.00 0.00 C ATOM 1636 CG LEU A 106 -12.600 -1.879 -2.656 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -12.942 -3.291 -3.060 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -12.264 -1.043 -3.876 1.00 0.00 C ATOM 0 H LEU A 106 -14.541 1.027 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 106 -15.109 -1.486 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.374 -0.307 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.929 -1.908 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.715 -1.904 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.124 -3.710 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.097 -3.897 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -13.852 -3.288 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.458 -1.520 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.145 -0.958 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.947 -0.049 -3.560 1.00 0.00 H new ATOM 1650 N ARG A 107 -16.995 -0.638 -1.036 1.00 0.00 N ATOM 1651 CA ARG A 107 -18.111 -1.024 -0.163 1.00 0.00 C ATOM 1652 C ARG A 107 -19.113 -1.928 -0.906 1.00 0.00 C ATOM 1653 O ARG A 107 -19.748 -2.792 -0.308 1.00 0.00 O ATOM 1654 CB ARG A 107 -18.843 0.212 0.348 1.00 0.00 C ATOM 1655 CG ARG A 107 -19.822 -0.080 1.468 1.00 0.00 C ATOM 1656 CD ARG A 107 -20.685 1.122 1.786 1.00 0.00 C ATOM 1657 NE ARG A 107 -21.429 0.915 3.024 1.00 0.00 N ATOM 1658 CZ ARG A 107 -22.650 1.341 3.311 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -23.373 2.027 2.412 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -23.138 1.073 4.512 1.00 0.00 N ATOM 0 H ARG A 107 -16.867 0.371 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 107 -17.691 -1.576 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.110 0.939 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -19.380 0.674 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -20.457 -0.920 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.274 -0.381 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -20.060 2.010 1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -21.379 1.304 0.966 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.954 0.381 3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -22.984 2.228 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -24.312 2.347 2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.577 0.552 5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -24.075 1.387 4.763 1.00 0.00 H new ATOM 1674 N ASN A 108 -19.232 -1.731 -2.216 1.00 0.00 N ATOM 1675 CA ASN A 108 -20.138 -2.545 -3.032 1.00 0.00 C ATOM 1676 C ASN A 108 -19.629 -3.987 -3.096 1.00 0.00 C ATOM 1677 O ASN A 108 -20.403 -4.940 -3.047 1.00 0.00 O ATOM 1678 CB ASN A 108 -20.286 -1.953 -4.443 1.00 0.00 C ATOM 1679 CG ASN A 108 -21.253 -2.743 -5.317 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -20.867 -3.655 -6.021 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -22.516 -2.383 -5.279 1.00 0.00 N ATOM 0 H ASN A 108 -18.717 -1.020 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 108 -21.124 -2.543 -2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -20.633 -0.923 -4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.309 -1.925 -4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -23.204 -2.873 -5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -22.809 -1.613 -4.678 1.00 0.00 H new ATOM 1688 N ILE A 109 -18.317 -4.120 -3.107 1.00 0.00 N ATOM 1689 CA ILE A 109 -17.652 -5.406 -3.145 1.00 0.00 C ATOM 1690 C ILE A 109 -17.863 -6.181 -1.840 1.00 0.00 C ATOM 1691 O ILE A 109 -17.875 -7.412 -1.829 1.00 0.00 O ATOM 1692 CB ILE A 109 -16.157 -5.293 -3.612 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -16.147 -4.857 -5.100 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -15.383 -6.598 -3.411 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -14.781 -4.800 -5.764 1.00 0.00 C ATOM 0 H ILE A 109 -17.675 -3.327 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 109 -18.125 -6.011 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 109 -15.649 -4.549 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -16.776 -5.545 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -16.607 -3.872 -5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -14.355 -6.467 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -15.386 -6.864 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -15.856 -7.394 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -14.893 -4.484 -6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -14.148 -4.088 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -14.320 -5.787 -5.733 1.00 0.00 H new ATOM 1707 N LYS A 110 -18.062 -5.454 -0.738 1.00 0.00 N ATOM 1708 CA LYS A 110 -18.418 -6.092 0.532 1.00 0.00 C ATOM 1709 C LYS A 110 -19.708 -6.899 0.364 1.00 0.00 C ATOM 1710 O LYS A 110 -19.804 -8.010 0.840 1.00 0.00 O ATOM 1711 CB LYS A 110 -18.592 -5.059 1.667 1.00 0.00 C ATOM 1712 CG LYS A 110 -19.094 -5.672 2.974 1.00 0.00 C ATOM 1713 CD LYS A 110 -19.224 -4.646 4.086 1.00 0.00 C ATOM 1714 CE LYS A 110 -19.845 -5.273 5.326 1.00 0.00 C ATOM 1715 NZ LYS A 110 -19.863 -4.356 6.479 1.00 0.00 N1+ ATOM 0 H LYS A 110 -17.984 -4.438 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.599 -6.755 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -17.637 -4.566 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -19.292 -4.289 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -20.063 -6.142 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -18.409 -6.459 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -18.242 -4.241 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -19.838 -3.812 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -20.865 -5.584 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -19.289 -6.172 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -20.249 -4.850 7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -18.894 -4.038 6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -20.458 -3.532 6.258 1.00 0.00 H new ATOM 1729 N LEU A 111 -20.661 -6.332 -0.366 1.00 0.00 N ATOM 1730 CA LEU A 111 -21.955 -6.975 -0.610 1.00 0.00 C ATOM 1731 C LEU A 111 -21.773 -8.181 -1.523 1.00 0.00 C ATOM 1732 O LEU A 111 -22.411 -9.204 -1.333 1.00 0.00 O ATOM 1733 CB LEU A 111 -22.920 -5.977 -1.262 1.00 0.00 C ATOM 1734 CG LEU A 111 -23.173 -4.669 -0.500 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -24.077 -3.750 -1.308 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -23.781 -4.944 0.871 1.00 0.00 C ATOM 0 H LEU A 111 -20.563 -5.417 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 111 -22.369 -7.306 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -22.535 -5.727 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -23.878 -6.476 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.214 -4.173 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -24.247 -2.827 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -23.602 -3.519 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -25.031 -4.245 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -23.950 -4.000 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -24.730 -5.467 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -23.098 -5.562 1.455 1.00 0.00 H new ATOM 1748 N GLU A 112 -20.892 -8.032 -2.501 1.00 0.00 N ATOM 1749 CA GLU A 112 -20.564 -9.093 -3.451 1.00 0.00 C ATOM 1750 C GLU A 112 -19.907 -10.280 -2.735 1.00 0.00 C ATOM 1751 O GLU A 112 -20.371 -11.399 -2.840 1.00 0.00 O ATOM 1752 CB GLU A 112 -19.710 -8.496 -4.610 1.00 0.00 C ATOM 1753 CG GLU A 112 -19.059 -9.481 -5.588 1.00 0.00 C ATOM 1754 CD GLU A 112 -17.674 -9.909 -5.139 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -16.725 -9.153 -5.347 1.00 0.00 O1- ATOM 1756 OE2 GLU A 112 -17.525 -10.977 -4.522 1.00 0.00 O ATOM 0 H GLU A 112 -20.379 -7.165 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 112 -21.471 -9.497 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -20.346 -7.822 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -18.920 -7.889 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -19.694 -10.361 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -18.993 -9.020 -6.574 1.00 0.00 H new ATOM 1763 N HIS A 113 -18.880 -9.993 -1.938 1.00 0.00 N ATOM 1764 CA HIS A 113 -18.155 -11.019 -1.156 1.00 0.00 C ATOM 1765 C HIS A 113 -19.054 -11.679 -0.099 1.00 0.00 C ATOM 1766 O HIS A 113 -18.711 -12.710 0.467 1.00 0.00 O ATOM 1767 CB HIS A 113 -16.886 -10.445 -0.486 1.00 0.00 C ATOM 1768 CG HIS A 113 -15.683 -10.222 -1.392 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -15.694 -10.371 -2.760 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -14.404 -9.892 -1.079 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -14.490 -10.147 -3.240 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -13.694 -9.858 -2.243 1.00 0.00 N ATOM 0 H HIS A 113 -18.520 -9.048 -1.809 1.00 0.00 H new ATOM 0 HA HIS A 113 -17.849 -11.784 -1.870 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -17.145 -9.493 -0.022 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -16.589 -11.120 0.317 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.019 -9.693 -0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -14.207 -10.194 -4.281 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -12.700 -9.642 -2.323 1.00 0.00 H new ATOM 1781 N LEU A 114 -20.146 -11.020 0.202 1.00 0.00 N ATOM 1782 CA LEU A 114 -21.126 -11.461 1.177 1.00 0.00 C ATOM 1783 C LEU A 114 -22.252 -12.282 0.489 1.00 0.00 C ATOM 1784 O LEU A 114 -23.129 -12.873 1.156 1.00 0.00 O ATOM 1785 CB LEU A 114 -21.630 -10.169 1.932 1.00 0.00 C ATOM 1786 CG LEU A 114 -22.854 -10.180 2.884 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -24.166 -10.181 2.109 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -22.785 -11.331 3.888 1.00 0.00 C ATOM 0 H LEU A 114 -20.389 -10.132 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 114 -20.701 -12.146 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -20.786 -9.800 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -21.839 -9.422 1.166 1.00 0.00 H new ATOM 0 HG LEU A 114 -22.821 -9.256 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -25.002 -10.189 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -24.222 -9.288 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -24.214 -11.067 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -23.661 -11.302 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -22.761 -12.280 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -21.883 -11.233 4.493 1.00 0.00 H new ATOM 1800 N LYS A 115 -22.231 -12.355 -0.817 1.00 0.00 N ATOM 1801 CA LYS A 115 -23.274 -13.038 -1.493 1.00 0.00 C ATOM 1802 C LYS A 115 -23.015 -14.477 -1.831 1.00 0.00 C ATOM 1803 O LYS A 115 -23.691 -15.328 -1.197 1.00 0.00 O ATOM 1804 CB LYS A 115 -23.931 -12.271 -2.619 1.00 0.00 C ATOM 1805 CG LYS A 115 -24.990 -11.267 -2.151 1.00 0.00 C ATOM 1806 CD LYS A 115 -26.325 -11.911 -1.622 1.00 0.00 C ATOM 1807 CE LYS A 115 -26.232 -12.684 -0.265 1.00 0.00 C ATOM 1808 NZ LYS A 115 -25.840 -14.135 -0.382 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -22.225 -14.752 -2.705 1.00 0.00 O1- ATOM 0 H LYS A 115 -21.510 -11.953 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 115 -24.028 -13.085 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -23.163 -11.739 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -24.394 -12.979 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -24.562 -10.652 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -25.229 -10.600 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -27.067 -11.120 -1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -26.698 -12.598 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -25.508 -12.179 0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -27.198 -12.624 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -26.399 -14.701 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -26.021 -14.467 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -24.829 -14.240 -0.164 1.00 0.00 H new