USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 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 29 SER OG : rot 133:sc= -2.47! USER MOD Set 1.2: A 72 HIS : no HD1:sc= -1.78! C(o=-4.2!,f=-8.7!) USER MOD Set 1.3: B 116 THR OG1 : rot 93:sc= 0.0183 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= -1.03 USER MOD Set 2.2: A 40 SER OG : rot -140:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.2) USER MOD Single : A 16 SER OG : rot 46:sc= 0.111 USER MOD Single : A 25 CYS SG : rot -61:sc= -8.29! USER MOD Single : A 26 SER OG : rot 180:sc= -0.0235 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.751) USER MOD Single : A 41 HIS : no HD1:sc= -1.72! C(o=-1.7!,f=-3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 107:sc= 0.611 USER MOD Single : A 48 SER OG : rot 50:sc= -1.35 USER MOD Single : A 58 GLN : amide:sc= -5.7 K(o=-5.7,f=-17!) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.953 F(o=-0.78,f=0.95) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.044) USER MOD Single : A 80 LYS NZ :NH3+ 157:sc= -0.958 (180deg=-1.19) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 4:sc= 0.356 USER MOD Single : A 86 THR OG1 : rot -67:sc= 0.411 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0924 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 10 -2.818 -2.023 -14.884 1.00 0.00 N ATOM 26 CA GLU A 10 -1.939 -1.325 -13.955 1.00 0.00 C ATOM 27 C GLU A 10 -2.284 0.159 -13.890 1.00 0.00 C ATOM 28 O GLU A 10 -2.683 0.758 -14.888 1.00 0.00 O ATOM 29 CB GLU A 10 -0.476 -1.501 -14.372 1.00 0.00 C ATOM 30 CG GLU A 10 0.192 -2.711 -13.739 1.00 0.00 C ATOM 31 CD GLU A 10 0.657 -3.727 -14.765 1.00 0.00 C ATOM 32 OE1 GLU A 10 -0.198 -4.462 -15.300 1.00 0.00 O ATOM 33 OE2 GLU A 10 1.875 -3.785 -15.033 1.00 0.00 O ATOM 0 HA GLU A 10 -2.083 -1.758 -12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.424 -1.593 -15.457 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.082 -0.604 -14.101 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.046 -2.381 -13.147 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.507 -3.188 -13.052 1.00 0.00 H new ATOM 40 N LYS A 11 -2.129 0.746 -12.708 1.00 0.00 N ATOM 41 CA LYS A 11 -2.425 2.161 -12.511 1.00 0.00 C ATOM 42 C LYS A 11 -1.171 2.926 -12.094 1.00 0.00 C ATOM 43 O LYS A 11 -0.355 2.426 -11.321 1.00 0.00 O ATOM 44 CB LYS A 11 -3.525 2.330 -11.456 1.00 0.00 C ATOM 45 CG LYS A 11 -3.839 3.780 -11.129 1.00 0.00 C ATOM 46 CD LYS A 11 -5.219 3.923 -10.507 1.00 0.00 C ATOM 47 CE LYS A 11 -5.178 3.698 -9.005 1.00 0.00 C ATOM 48 NZ LYS A 11 -6.288 4.403 -8.307 1.00 0.00 N ATOM 0 H LYS A 11 -1.800 0.264 -11.872 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.777 2.572 -13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.433 1.841 -11.809 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.222 1.818 -10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.087 4.171 -10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.784 4.379 -12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.612 4.918 -10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.902 3.207 -10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.238 2.630 -8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.223 4.046 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.224 4.224 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.216 5.425 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.200 4.053 -8.663 1.00 0.00 H new ATOM 62 N LYS A 12 -1.025 4.141 -12.614 1.00 0.00 N ATOM 63 CA LYS A 12 0.132 4.971 -12.295 1.00 0.00 C ATOM 64 C LYS A 12 -0.259 6.109 -11.356 1.00 0.00 C ATOM 65 O LYS A 12 -1.310 6.729 -11.519 1.00 0.00 O ATOM 66 CB LYS A 12 0.748 5.537 -13.577 1.00 0.00 C ATOM 67 CG LYS A 12 1.953 4.752 -14.070 1.00 0.00 C ATOM 68 CD LYS A 12 3.259 5.460 -13.735 1.00 0.00 C ATOM 69 CE LYS A 12 4.249 4.520 -13.066 1.00 0.00 C ATOM 70 NZ LYS A 12 5.650 5.013 -13.184 1.00 0.00 N ATOM 0 H LYS A 12 -1.691 4.572 -13.256 1.00 0.00 H new ATOM 0 HA LYS A 12 0.870 4.347 -11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.011 5.551 -14.359 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.045 6.571 -13.402 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.951 3.760 -13.619 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.880 4.612 -15.149 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.699 5.864 -14.647 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.057 6.305 -13.077 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.990 4.410 -12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.173 3.531 -13.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.240 4.560 -12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.022 4.780 -14.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.668 6.044 -13.050 1.00 0.00 H new ATOM 84 N VAL A 13 0.598 6.380 -10.377 1.00 0.00 N ATOM 85 CA VAL A 13 0.344 7.443 -9.412 1.00 0.00 C ATOM 86 C VAL A 13 1.623 8.212 -9.093 1.00 0.00 C ATOM 87 O VAL A 13 2.686 7.619 -8.903 1.00 0.00 O ATOM 88 CB VAL A 13 -0.251 6.885 -8.104 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.558 8.009 -7.122 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.503 6.070 -8.397 1.00 0.00 C ATOM 0 H VAL A 13 1.474 5.878 -10.231 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.378 8.120 -9.868 1.00 0.00 H new ATOM 0 HB VAL A 13 0.489 6.230 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.977 7.589 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.360 8.548 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.277 8.696 -7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.912 5.683 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.245 6.704 -8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.250 5.239 -9.055 1.00 0.00 H new ATOM 100 N PHE A 14 1.511 9.536 -9.038 1.00 0.00 N ATOM 101 CA PHE A 14 2.657 10.391 -8.742 1.00 0.00 C ATOM 102 C PHE A 14 2.413 11.204 -7.474 1.00 0.00 C ATOM 103 O PHE A 14 1.490 12.016 -7.414 1.00 0.00 O ATOM 104 CB PHE A 14 2.931 11.330 -9.919 1.00 0.00 C ATOM 105 CG PHE A 14 4.272 12.003 -9.852 1.00 0.00 C ATOM 106 CD1 PHE A 14 4.437 13.178 -9.136 1.00 0.00 C ATOM 107 CD2 PHE A 14 5.367 11.463 -10.508 1.00 0.00 C ATOM 108 CE1 PHE A 14 5.669 13.800 -9.074 1.00 0.00 C ATOM 109 CE2 PHE A 14 6.602 12.081 -10.450 1.00 0.00 C ATOM 110 CZ PHE A 14 6.753 13.253 -9.732 1.00 0.00 C ATOM 0 H PHE A 14 0.638 10.040 -9.194 1.00 0.00 H new ATOM 0 HA PHE A 14 3.527 9.754 -8.582 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.864 10.764 -10.848 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.153 12.092 -9.954 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.593 13.612 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.254 10.548 -11.071 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.784 14.714 -8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.448 11.649 -10.965 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.716 13.739 -9.686 1.00 0.00 H new ATOM 120 N ILE A 15 3.244 10.980 -6.461 1.00 0.00 N ATOM 121 CA ILE A 15 3.113 11.693 -5.196 1.00 0.00 C ATOM 122 C ILE A 15 4.218 12.733 -5.036 1.00 0.00 C ATOM 123 O ILE A 15 5.401 12.417 -5.150 1.00 0.00 O ATOM 124 CB ILE A 15 3.157 10.727 -3.996 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.146 9.594 -4.192 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.877 11.474 -2.700 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.706 10.059 -4.188 1.00 0.00 C ATOM 0 H ILE A 15 4.014 10.312 -6.492 1.00 0.00 H new ATOM 0 HA ILE A 15 2.144 12.192 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 15 4.156 10.295 -3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.354 9.092 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.283 8.856 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.912 10.776 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.629 12.250 -2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.889 11.931 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.047 9.203 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.480 10.535 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.553 10.775 -4.996 1.00 0.00 H new ATOM 139 N SER A 16 3.821 13.974 -4.773 1.00 0.00 N ATOM 140 CA SER A 16 4.775 15.063 -4.596 1.00 0.00 C ATOM 141 C SER A 16 4.346 15.982 -3.457 1.00 0.00 C ATOM 142 O SER A 16 3.332 16.674 -3.554 1.00 0.00 O ATOM 143 CB SER A 16 4.911 15.864 -5.891 1.00 0.00 C ATOM 144 OG SER A 16 3.639 16.150 -6.450 1.00 0.00 O ATOM 0 H SER A 16 2.844 14.251 -4.678 1.00 0.00 H new ATOM 0 HA SER A 16 5.742 14.629 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.442 16.795 -5.692 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.509 15.302 -6.609 1.00 0.00 H new ATOM 0 HG SER A 16 3.035 16.464 -5.745 1.00 0.00 H new ATOM 234 N LEU A 23 1.808 12.320 2.146 1.00 0.00 N ATOM 235 CA LEU A 23 0.990 11.568 1.207 1.00 0.00 C ATOM 236 C LEU A 23 -0.474 11.582 1.640 1.00 0.00 C ATOM 237 O LEU A 23 -1.359 11.945 0.864 1.00 0.00 O ATOM 238 CB LEU A 23 1.503 10.127 1.110 1.00 0.00 C ATOM 239 CG LEU A 23 0.534 9.126 0.482 1.00 0.00 C ATOM 240 CD1 LEU A 23 0.383 9.388 -1.008 1.00 0.00 C ATOM 241 CD2 LEU A 23 1.007 7.701 0.732 1.00 0.00 C ATOM 0 HA LEU A 23 1.060 12.037 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.426 10.126 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.756 9.781 2.112 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.443 9.252 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.311 8.665 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.002 10.396 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.354 9.292 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.306 7.000 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.994 7.563 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.060 7.518 1.805 1.00 0.00 H new ATOM 253 N GLY A 24 -0.720 11.184 2.884 1.00 0.00 N ATOM 254 CA GLY A 24 -2.077 11.156 3.400 1.00 0.00 C ATOM 255 C GLY A 24 -2.714 9.785 3.279 1.00 0.00 C ATOM 256 O GLY A 24 -3.935 9.669 3.182 1.00 0.00 O ATOM 0 H GLY A 24 -0.004 10.880 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.071 11.460 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.683 11.884 2.861 1.00 0.00 H new ATOM 260 N CYS A 25 -1.884 8.747 3.277 1.00 0.00 N ATOM 261 CA CYS A 25 -2.371 7.379 3.160 1.00 0.00 C ATOM 262 C CYS A 25 -1.480 6.416 3.939 1.00 0.00 C ATOM 263 O CYS A 25 -0.325 6.727 4.234 1.00 0.00 O ATOM 264 CB CYS A 25 -2.425 6.968 1.686 1.00 0.00 C ATOM 265 SG CYS A 25 -3.005 5.278 1.403 1.00 0.00 S ATOM 0 H CYS A 25 -0.870 8.828 3.355 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.375 7.334 3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.079 7.658 1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.430 7.075 1.255 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.201 4.440 1.987 1.00 0.00 H new ATOM 271 N SER A 26 -2.022 5.249 4.268 1.00 0.00 N ATOM 272 CA SER A 26 -1.275 4.243 5.010 1.00 0.00 C ATOM 273 C SER A 26 -1.052 3.008 4.145 1.00 0.00 C ATOM 274 O SER A 26 -1.575 2.920 3.034 1.00 0.00 O ATOM 275 CB SER A 26 -2.023 3.865 6.289 1.00 0.00 C ATOM 276 OG SER A 26 -2.557 5.014 6.924 1.00 0.00 O ATOM 0 H SER A 26 -2.976 4.977 4.032 1.00 0.00 H new ATOM 0 HA SER A 26 -0.305 4.659 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.828 3.169 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.347 3.349 6.971 1.00 0.00 H new ATOM 0 HG SER A 26 -3.032 4.747 7.738 1.00 0.00 H new ATOM 282 N ILE A 27 -0.271 2.059 4.649 1.00 0.00 N ATOM 283 CA ILE A 27 0.015 0.840 3.904 1.00 0.00 C ATOM 284 C ILE A 27 -0.001 -0.383 4.813 1.00 0.00 C ATOM 285 O ILE A 27 0.174 -0.272 6.026 1.00 0.00 O ATOM 286 CB ILE A 27 1.380 0.919 3.193 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.455 1.431 4.152 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.285 1.816 1.967 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.823 1.549 3.518 1.00 0.00 C ATOM 0 H ILE A 27 0.173 2.110 5.566 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.771 0.741 3.155 1.00 0.00 H new ATOM 0 HB ILE A 27 1.661 -0.083 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.155 2.407 4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.517 0.759 5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.256 1.863 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.547 1.410 1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.984 2.818 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.535 1.918 4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.144 0.571 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.777 2.244 2.680 1.00 0.00 H new ATOM 301 N SER A 28 -0.217 -1.549 4.215 1.00 0.00 N ATOM 302 CA SER A 28 -0.263 -2.801 4.961 1.00 0.00 C ATOM 303 C SER A 28 0.651 -3.845 4.327 1.00 0.00 C ATOM 304 O SER A 28 1.045 -3.717 3.168 1.00 0.00 O ATOM 305 CB SER A 28 -1.696 -3.332 5.021 1.00 0.00 C ATOM 306 OG SER A 28 -2.427 -2.966 3.862 1.00 0.00 O ATOM 0 H SER A 28 -0.364 -1.653 3.211 1.00 0.00 H new ATOM 0 HA SER A 28 0.087 -2.604 5.974 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.681 -4.418 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.195 -2.941 5.908 1.00 0.00 H new ATOM 0 HG SER A 28 -3.339 -3.319 3.925 1.00 0.00 H new ATOM 312 N SER A 29 0.984 -4.878 5.095 1.00 0.00 N ATOM 313 CA SER A 29 1.851 -5.943 4.605 1.00 0.00 C ATOM 314 C SER A 29 1.038 -7.194 4.296 1.00 0.00 C ATOM 315 O SER A 29 0.102 -7.532 5.020 1.00 0.00 O ATOM 316 CB SER A 29 2.934 -6.263 5.637 1.00 0.00 C ATOM 317 OG SER A 29 4.115 -5.520 5.383 1.00 0.00 O ATOM 0 H SER A 29 0.667 -5.000 6.057 1.00 0.00 H new ATOM 0 HA SER A 29 2.329 -5.602 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.566 -6.036 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.159 -7.329 5.614 1.00 0.00 H new ATOM 0 HG SER A 29 4.431 -5.113 6.217 1.00 0.00 H new ATOM 323 N GLY A 30 1.394 -7.871 3.209 1.00 0.00 N ATOM 324 CA GLY A 30 0.676 -9.070 2.817 1.00 0.00 C ATOM 325 C GLY A 30 1.235 -10.331 3.447 1.00 0.00 C ATOM 326 O GLY A 30 2.369 -10.342 3.927 1.00 0.00 O ATOM 0 H GLY A 30 2.165 -7.612 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.373 -8.966 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.709 -9.168 1.732 1.00 0.00 H new ATOM 330 N PRO A 31 0.449 -11.422 3.456 1.00 0.00 N ATOM 331 CA PRO A 31 0.869 -12.703 4.033 1.00 0.00 C ATOM 332 C PRO A 31 2.085 -13.288 3.317 1.00 0.00 C ATOM 333 O PRO A 31 2.827 -12.569 2.647 1.00 0.00 O ATOM 334 CB PRO A 31 -0.358 -13.607 3.843 1.00 0.00 C ATOM 335 CG PRO A 31 -1.150 -12.963 2.760 1.00 0.00 C ATOM 336 CD PRO A 31 -0.914 -11.488 2.901 1.00 0.00 C ATOM 0 HA PRO A 31 1.175 -12.600 5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.063 -14.619 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.938 -13.684 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.832 -13.318 1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.209 -13.200 2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.985 -10.975 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.643 -11.024 3.565 1.00 0.00 H new ATOM 344 N ILE A 32 2.284 -14.592 3.468 1.00 0.00 N ATOM 345 CA ILE A 32 3.410 -15.273 2.840 1.00 0.00 C ATOM 346 C ILE A 32 3.085 -15.670 1.405 1.00 0.00 C ATOM 347 O ILE A 32 3.977 -15.775 0.562 1.00 0.00 O ATOM 348 CB ILE A 32 3.814 -16.535 3.630 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.987 -16.204 5.115 1.00 0.00 C ATOM 350 CG2 ILE A 32 5.094 -17.129 3.062 1.00 0.00 C ATOM 351 CD1 ILE A 32 3.362 -17.228 6.038 1.00 0.00 C ATOM 0 H ILE A 32 1.679 -15.200 4.021 1.00 0.00 H new ATOM 0 HA ILE A 32 4.243 -14.569 2.839 1.00 0.00 H new ATOM 0 HB ILE A 32 3.019 -17.274 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.051 -16.125 5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.545 -15.228 5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.366 -18.019 3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.938 -17.399 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.897 -16.395 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.523 -16.930 7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.292 -17.291 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.821 -18.202 5.865 1.00 0.00 H new ATOM 363 N GLN A 33 1.803 -15.887 1.130 1.00 0.00 N ATOM 364 CA GLN A 33 1.362 -16.270 -0.206 1.00 0.00 C ATOM 365 C GLN A 33 1.347 -15.064 -1.140 1.00 0.00 C ATOM 366 O GLN A 33 1.545 -15.198 -2.347 1.00 0.00 O ATOM 367 CB GLN A 33 -0.030 -16.901 -0.146 1.00 0.00 C ATOM 368 CG GLN A 33 -0.056 -18.251 0.551 1.00 0.00 C ATOM 369 CD GLN A 33 -1.298 -18.444 1.399 1.00 0.00 C ATOM 370 OE1 GLN A 33 -2.406 -18.569 0.877 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.119 -18.470 2.714 1.00 0.00 N ATOM 0 H GLN A 33 1.051 -15.804 1.815 1.00 0.00 H new ATOM 0 HA GLN A 33 2.068 -17.002 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.706 -16.221 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.411 -17.018 -1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.004 -19.043 -0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.828 -18.348 1.181 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.182 -18.362 3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.918 -18.598 3.335 1.00 0.00 H new ATOM 380 N LYS A 34 1.109 -13.885 -0.573 1.00 0.00 N ATOM 381 CA LYS A 34 1.068 -12.655 -1.357 1.00 0.00 C ATOM 382 C LYS A 34 1.719 -11.503 -0.594 1.00 0.00 C ATOM 383 O LYS A 34 1.072 -10.496 -0.299 1.00 0.00 O ATOM 384 CB LYS A 34 -0.377 -12.301 -1.710 1.00 0.00 C ATOM 385 CG LYS A 34 -0.877 -12.975 -2.978 1.00 0.00 C ATOM 386 CD LYS A 34 -2.280 -13.534 -2.799 1.00 0.00 C ATOM 387 CE LYS A 34 -2.259 -14.872 -2.078 1.00 0.00 C ATOM 388 NZ LYS A 34 -3.274 -15.813 -2.624 1.00 0.00 N ATOM 0 H LYS A 34 0.942 -13.755 0.425 1.00 0.00 H new ATOM 0 HA LYS A 34 1.628 -12.818 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.024 -12.583 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.459 -11.220 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.873 -12.257 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.197 -13.780 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.886 -12.825 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.753 -13.652 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.268 -15.316 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.444 -14.715 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.619 -16.431 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.070 -15.273 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.843 -16.393 -3.372 1.00 0.00 H new ATOM 402 N PRO A 35 3.015 -11.636 -0.264 1.00 0.00 N ATOM 403 CA PRO A 35 3.754 -10.602 0.468 1.00 0.00 C ATOM 404 C PRO A 35 4.081 -9.397 -0.406 1.00 0.00 C ATOM 405 O PRO A 35 4.520 -9.545 -1.546 1.00 0.00 O ATOM 406 CB PRO A 35 5.035 -11.320 0.889 1.00 0.00 C ATOM 407 CG PRO A 35 5.238 -12.368 -0.150 1.00 0.00 C ATOM 408 CD PRO A 35 3.861 -12.803 -0.578 1.00 0.00 C ATOM 0 HA PRO A 35 3.179 -10.200 1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.880 -10.632 0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.935 -11.760 1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.803 -11.975 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.806 -13.208 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.830 -13.047 -1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.535 -13.692 -0.037 1.00 0.00 H new ATOM 416 N GLY A 36 3.865 -8.202 0.135 1.00 0.00 N ATOM 417 CA GLY A 36 4.143 -6.990 -0.612 1.00 0.00 C ATOM 418 C GLY A 36 3.747 -5.737 0.142 1.00 0.00 C ATOM 419 O GLY A 36 3.829 -5.691 1.370 1.00 0.00 O ATOM 0 H GLY A 36 3.503 -8.052 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.207 -6.948 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.609 -7.022 -1.562 1.00 0.00 H new ATOM 423 N ILE A 37 3.317 -4.718 -0.594 1.00 0.00 N ATOM 424 CA ILE A 37 2.906 -3.457 0.011 1.00 0.00 C ATOM 425 C ILE A 37 1.512 -3.056 -0.456 1.00 0.00 C ATOM 426 O ILE A 37 1.314 -2.713 -1.622 1.00 0.00 O ATOM 427 CB ILE A 37 3.895 -2.323 -0.325 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.335 -2.796 -0.120 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.606 -1.098 0.530 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.658 -3.152 1.315 1.00 0.00 C ATOM 0 H ILE A 37 3.244 -4.741 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 37 2.896 -3.611 1.090 1.00 0.00 H new ATOM 0 HB ILE A 37 3.769 -2.048 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.516 -3.666 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.016 -2.013 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.312 -0.306 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.590 -0.752 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.708 -1.357 1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.696 -3.479 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.510 -2.278 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.002 -3.956 1.647 1.00 0.00 H new ATOM 442 N PHE A 38 0.550 -3.101 0.458 1.00 0.00 N ATOM 443 CA PHE A 38 -0.826 -2.745 0.138 1.00 0.00 C ATOM 444 C PHE A 38 -1.150 -1.333 0.607 1.00 0.00 C ATOM 445 O PHE A 38 -0.344 -0.688 1.278 1.00 0.00 O ATOM 446 CB PHE A 38 -1.798 -3.738 0.777 1.00 0.00 C ATOM 447 CG PHE A 38 -1.547 -5.168 0.390 1.00 0.00 C ATOM 448 CD1 PHE A 38 -1.203 -5.501 -0.912 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.657 -6.181 1.328 1.00 0.00 C ATOM 450 CE1 PHE A 38 -0.974 -6.816 -1.269 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.430 -7.497 0.977 1.00 0.00 C ATOM 452 CZ PHE A 38 -1.088 -7.815 -0.323 1.00 0.00 C ATOM 0 H PHE A 38 0.698 -3.381 1.428 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.936 -2.784 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.734 -3.648 1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.816 -3.468 0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.113 -4.723 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.924 -5.939 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.706 -7.062 -2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.520 -8.277 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.910 -8.844 -0.599 1.00 0.00 H new ATOM 462 N ILE A 39 -2.337 -0.860 0.247 1.00 0.00 N ATOM 463 CA ILE A 39 -2.776 0.474 0.627 1.00 0.00 C ATOM 464 C ILE A 39 -3.863 0.405 1.696 1.00 0.00 C ATOM 465 O ILE A 39 -4.815 -0.367 1.582 1.00 0.00 O ATOM 466 CB ILE A 39 -3.299 1.260 -0.597 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.131 1.687 -1.489 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.108 2.475 -0.164 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.245 2.743 -0.861 1.00 0.00 C ATOM 0 H ILE A 39 -3.013 -1.383 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.911 0.998 1.034 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.957 0.604 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.527 0.811 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.524 2.068 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.463 3.009 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.961 2.151 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.480 3.137 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.439 2.997 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.836 3.634 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.822 2.358 0.067 1.00 0.00 H new ATOM 481 N SER A 40 -3.708 1.219 2.733 1.00 0.00 N ATOM 482 CA SER A 40 -4.668 1.262 3.828 1.00 0.00 C ATOM 483 C SER A 40 -5.514 2.530 3.755 1.00 0.00 C ATOM 484 O SER A 40 -5.482 3.253 2.760 1.00 0.00 O ATOM 485 CB SER A 40 -3.943 1.187 5.174 1.00 0.00 C ATOM 486 OG SER A 40 -4.111 -0.087 5.773 1.00 0.00 O ATOM 0 H SER A 40 -2.922 1.861 2.838 1.00 0.00 H new ATOM 0 HA SER A 40 -5.330 0.401 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.881 1.388 5.031 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.326 1.959 5.841 1.00 0.00 H new ATOM 0 HG SER A 40 -4.246 0.020 6.738 1.00 0.00 H new ATOM 492 N HIS A 41 -6.274 2.787 4.815 1.00 0.00 N ATOM 493 CA HIS A 41 -7.140 3.962 4.883 1.00 0.00 C ATOM 494 C HIS A 41 -6.423 5.219 4.396 1.00 0.00 C ATOM 495 O HIS A 41 -5.281 5.482 4.774 1.00 0.00 O ATOM 496 CB HIS A 41 -7.629 4.169 6.318 1.00 0.00 C ATOM 497 CG HIS A 41 -8.659 3.173 6.750 1.00 0.00 C ATOM 498 ND1 HIS A 41 -9.966 3.201 6.309 1.00 0.00 N ATOM 499 CD2 HIS A 41 -8.569 2.112 7.587 1.00 0.00 C ATOM 500 CE1 HIS A 41 -10.635 2.202 6.857 1.00 0.00 C ATOM 501 NE2 HIS A 41 -9.811 1.525 7.636 1.00 0.00 N ATOM 0 H HIS A 41 -6.308 2.194 5.644 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.992 3.785 4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -6.776 4.114 6.995 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -8.045 5.172 6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.686 1.788 8.117 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -11.679 1.977 6.695 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.056 0.701 8.185 1.00 0.00 H new ATOM 510 N VAL A 42 -7.105 5.991 3.555 1.00 0.00 N ATOM 511 CA VAL A 42 -6.540 7.221 3.014 1.00 0.00 C ATOM 512 C VAL A 42 -7.256 8.444 3.577 1.00 0.00 C ATOM 513 O VAL A 42 -8.451 8.395 3.873 1.00 0.00 O ATOM 514 CB VAL A 42 -6.628 7.251 1.476 1.00 0.00 C ATOM 515 CG1 VAL A 42 -5.873 8.449 0.920 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.099 5.952 0.883 1.00 0.00 C ATOM 0 H VAL A 42 -8.051 5.785 3.234 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.491 7.247 3.310 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.676 7.350 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.947 8.453 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.306 9.368 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.825 8.386 1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.170 5.993 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.057 5.817 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.691 5.115 1.254 1.00 0.00 H new ATOM 526 N LYS A 43 -6.521 9.543 3.724 1.00 0.00 N ATOM 527 CA LYS A 43 -7.089 10.777 4.254 1.00 0.00 C ATOM 528 C LYS A 43 -7.273 11.814 3.147 1.00 0.00 C ATOM 529 O LYS A 43 -6.469 11.890 2.217 1.00 0.00 O ATOM 530 CB LYS A 43 -6.193 11.347 5.356 1.00 0.00 C ATOM 531 CG LYS A 43 -5.674 10.296 6.324 1.00 0.00 C ATOM 532 CD LYS A 43 -5.206 10.924 7.628 1.00 0.00 C ATOM 533 CE LYS A 43 -4.714 9.872 8.610 1.00 0.00 C ATOM 534 NZ LYS A 43 -3.228 9.862 8.718 1.00 0.00 N ATOM 0 H LYS A 43 -5.532 9.603 3.483 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.067 10.543 4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.345 11.856 4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.751 12.099 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.460 9.569 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.849 9.752 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.405 11.635 7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.025 11.487 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.148 10.061 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.061 8.889 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.934 9.131 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.814 9.656 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.897 10.792 9.046 1.00 0.00 H new ATOM 548 N PRO A 44 -8.339 12.631 3.233 1.00 0.00 N ATOM 549 CA PRO A 44 -8.622 13.666 2.232 1.00 0.00 C ATOM 550 C PRO A 44 -7.647 14.836 2.318 1.00 0.00 C ATOM 551 O PRO A 44 -6.839 14.918 3.243 1.00 0.00 O ATOM 552 CB PRO A 44 -10.037 14.123 2.589 1.00 0.00 C ATOM 553 CG PRO A 44 -10.168 13.844 4.046 1.00 0.00 C ATOM 554 CD PRO A 44 -9.348 12.610 4.308 1.00 0.00 C ATOM 0 HA PRO A 44 -8.524 13.288 1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.177 15.183 2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.786 13.580 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.807 14.685 4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.211 13.685 4.320 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.884 12.638 5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.958 11.707 4.268 1.00 0.00 H new ATOM 562 N GLY A 45 -7.729 15.741 1.345 1.00 0.00 N ATOM 563 CA GLY A 45 -6.847 16.894 1.329 1.00 0.00 C ATOM 564 C GLY A 45 -5.382 16.504 1.356 1.00 0.00 C ATOM 565 O GLY A 45 -4.556 17.205 1.940 1.00 0.00 O ATOM 0 H GLY A 45 -8.390 15.696 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.046 17.487 0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.067 17.528 2.188 1.00 0.00 H new ATOM 569 N SER A 46 -5.061 15.382 0.722 1.00 0.00 N ATOM 570 CA SER A 46 -3.689 14.893 0.674 1.00 0.00 C ATOM 571 C SER A 46 -3.294 14.517 -0.750 1.00 0.00 C ATOM 572 O SER A 46 -4.042 14.758 -1.696 1.00 0.00 O ATOM 573 CB SER A 46 -3.530 13.683 1.592 1.00 0.00 C ATOM 574 OG SER A 46 -4.323 13.819 2.759 1.00 0.00 O ATOM 0 H SER A 46 -5.735 14.793 0.233 1.00 0.00 H new ATOM 0 HA SER A 46 -3.031 15.693 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.817 12.777 1.058 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.483 13.570 1.872 1.00 0.00 H new ATOM 0 HG SER A 46 -5.093 13.215 2.703 1.00 0.00 H new ATOM 580 N LEU A 47 -2.115 13.919 -0.894 1.00 0.00 N ATOM 581 CA LEU A 47 -1.627 13.507 -2.204 1.00 0.00 C ATOM 582 C LEU A 47 -2.317 12.224 -2.653 1.00 0.00 C ATOM 583 O LEU A 47 -2.786 12.124 -3.787 1.00 0.00 O ATOM 584 CB LEU A 47 -0.110 13.298 -2.169 1.00 0.00 C ATOM 585 CG LEU A 47 0.713 14.558 -1.896 1.00 0.00 C ATOM 586 CD1 LEU A 47 0.300 15.682 -2.832 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.564 14.987 -0.444 1.00 0.00 C ATOM 0 H LEU A 47 -1.482 13.710 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.858 14.298 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.122 12.559 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.205 12.877 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 47 1.763 14.329 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.897 16.569 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.461 15.373 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.755 15.911 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.156 15.885 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.485 15.196 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.914 14.188 0.209 1.00 0.00 H new ATOM 599 N SER A 48 -2.376 11.245 -1.755 1.00 0.00 N ATOM 600 CA SER A 48 -3.012 9.968 -2.059 1.00 0.00 C ATOM 601 C SER A 48 -4.477 10.164 -2.433 1.00 0.00 C ATOM 602 O SER A 48 -5.007 9.464 -3.295 1.00 0.00 O ATOM 603 CB SER A 48 -2.906 9.024 -0.861 1.00 0.00 C ATOM 604 OG SER A 48 -3.053 9.729 0.360 1.00 0.00 O ATOM 0 H SER A 48 -1.992 11.312 -0.813 1.00 0.00 H new ATOM 0 HA SER A 48 -2.493 9.527 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.673 8.252 -0.933 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.941 8.517 -0.878 1.00 0.00 H new ATOM 0 HG SER A 48 -3.853 10.293 0.318 1.00 0.00 H new ATOM 610 N ALA A 49 -5.125 11.123 -1.779 1.00 0.00 N ATOM 611 CA ALA A 49 -6.528 11.414 -2.045 1.00 0.00 C ATOM 612 C ALA A 49 -6.705 12.059 -3.414 1.00 0.00 C ATOM 613 O ALA A 49 -7.625 11.722 -4.157 1.00 0.00 O ATOM 614 CB ALA A 49 -7.096 12.312 -0.956 1.00 0.00 C ATOM 0 H ALA A 49 -4.701 11.711 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.076 10.472 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.145 12.521 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.013 11.811 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.538 13.248 -0.928 1.00 0.00 H new ATOM 620 N GLU A 50 -5.814 12.989 -3.741 1.00 0.00 N ATOM 621 CA GLU A 50 -5.869 13.682 -5.023 1.00 0.00 C ATOM 622 C GLU A 50 -5.723 12.697 -6.177 1.00 0.00 C ATOM 623 O GLU A 50 -6.402 12.816 -7.198 1.00 0.00 O ATOM 624 CB GLU A 50 -4.770 14.745 -5.099 1.00 0.00 C ATOM 625 CG GLU A 50 -5.209 16.110 -4.595 1.00 0.00 C ATOM 626 CD GLU A 50 -6.315 16.714 -5.438 1.00 0.00 C ATOM 627 OE1 GLU A 50 -7.488 16.334 -5.240 1.00 0.00 O ATOM 628 OE2 GLU A 50 -6.008 17.570 -6.295 1.00 0.00 O ATOM 0 H GLU A 50 -5.046 13.280 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.841 14.169 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.912 14.411 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.437 14.838 -6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.551 16.020 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.352 16.784 -4.589 1.00 0.00 H new ATOM 635 N VAL A 51 -4.836 11.722 -6.007 1.00 0.00 N ATOM 636 CA VAL A 51 -4.604 10.714 -7.033 1.00 0.00 C ATOM 637 C VAL A 51 -5.744 9.702 -7.076 1.00 0.00 C ATOM 638 O VAL A 51 -6.045 9.138 -8.127 1.00 0.00 O ATOM 639 CB VAL A 51 -3.276 9.966 -6.799 1.00 0.00 C ATOM 640 CG1 VAL A 51 -2.093 10.914 -6.938 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.273 9.292 -5.435 1.00 0.00 C ATOM 0 H VAL A 51 -4.267 11.609 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.552 11.240 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.180 9.192 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.166 10.366 -6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.085 11.341 -7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.180 11.715 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.327 8.770 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.395 10.045 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.094 8.577 -5.380 1.00 0.00 H new ATOM 651 N GLY A 52 -6.373 9.479 -5.928 1.00 0.00 N ATOM 652 CA GLY A 52 -7.473 8.535 -5.857 1.00 0.00 C ATOM 653 C GLY A 52 -7.053 7.199 -5.278 1.00 0.00 C ATOM 654 O GLY A 52 -7.250 6.156 -5.901 1.00 0.00 O ATOM 0 H GLY A 52 -6.141 9.935 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.271 8.957 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.882 8.382 -6.856 1.00 0.00 H new ATOM 658 N LEU A 53 -6.471 7.232 -4.085 1.00 0.00 N ATOM 659 CA LEU A 53 -6.021 6.013 -3.422 1.00 0.00 C ATOM 660 C LEU A 53 -7.057 5.519 -2.419 1.00 0.00 C ATOM 661 O LEU A 53 -7.739 6.314 -1.772 1.00 0.00 O ATOM 662 CB LEU A 53 -4.685 6.258 -2.714 1.00 0.00 C ATOM 663 CG LEU A 53 -3.446 6.057 -3.585 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.213 6.623 -2.896 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.252 4.583 -3.905 1.00 0.00 C ATOM 0 H LEU A 53 -6.300 8.088 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.888 5.245 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.677 7.277 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.619 5.591 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.592 6.594 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.340 6.471 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.352 7.690 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.063 6.114 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.365 4.459 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.127 4.023 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.125 4.209 -4.440 1.00 0.00 H new ATOM 677 N GLU A 54 -7.170 4.201 -2.297 1.00 0.00 N ATOM 678 CA GLU A 54 -8.122 3.595 -1.374 1.00 0.00 C ATOM 679 C GLU A 54 -7.642 2.214 -0.935 1.00 0.00 C ATOM 680 O GLU A 54 -6.772 1.620 -1.570 1.00 0.00 O ATOM 681 CB GLU A 54 -9.500 3.487 -2.027 1.00 0.00 C ATOM 682 CG GLU A 54 -10.650 3.767 -1.072 1.00 0.00 C ATOM 683 CD GLU A 54 -11.999 3.749 -1.763 1.00 0.00 C ATOM 684 OE1 GLU A 54 -12.502 2.643 -2.056 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.554 4.841 -2.010 1.00 0.00 O ATOM 0 H GLU A 54 -6.613 3.531 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.197 4.233 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.553 4.186 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.619 2.486 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.644 3.024 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.499 4.739 -0.603 1.00 0.00 H new ATOM 692 N ILE A 55 -8.216 1.710 0.152 1.00 0.00 N ATOM 693 CA ILE A 55 -7.844 0.398 0.671 1.00 0.00 C ATOM 694 C ILE A 55 -8.030 -0.683 -0.387 1.00 0.00 C ATOM 695 O ILE A 55 -9.018 -0.685 -1.121 1.00 0.00 O ATOM 696 CB ILE A 55 -8.672 0.030 1.918 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.588 1.147 2.964 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.193 -1.291 2.504 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.941 1.638 3.432 1.00 0.00 C ATOM 0 H ILE A 55 -8.939 2.188 0.690 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.791 0.454 0.948 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.714 -0.085 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.023 0.787 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.031 1.985 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.788 -1.536 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.303 -2.080 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.144 -1.204 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.806 2.428 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.500 2.029 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.493 0.812 3.881 1.00 0.00 H new ATOM 711 N GLY A 56 -7.073 -1.603 -0.460 1.00 0.00 N ATOM 712 CA GLY A 56 -7.149 -2.677 -1.432 1.00 0.00 C ATOM 713 C GLY A 56 -6.015 -2.630 -2.436 1.00 0.00 C ATOM 714 O GLY A 56 -5.464 -3.665 -2.810 1.00 0.00 O ATOM 0 H GLY A 56 -6.246 -1.623 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.131 -3.635 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.101 -2.618 -1.960 1.00 0.00 H new ATOM 718 N ASP A 57 -5.665 -1.425 -2.875 1.00 0.00 N ATOM 719 CA ASP A 57 -4.589 -1.243 -3.844 1.00 0.00 C ATOM 720 C ASP A 57 -3.292 -1.878 -3.346 1.00 0.00 C ATOM 721 O ASP A 57 -3.171 -2.222 -2.171 1.00 0.00 O ATOM 722 CB ASP A 57 -4.370 0.245 -4.117 1.00 0.00 C ATOM 723 CG ASP A 57 -5.429 0.828 -5.033 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.513 0.218 -5.150 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.175 1.895 -5.632 1.00 0.00 O ATOM 0 H ASP A 57 -6.112 -0.559 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.880 -1.738 -4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.372 0.789 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.387 0.388 -4.566 1.00 0.00 H new ATOM 730 N GLN A 58 -2.328 -2.032 -4.248 1.00 0.00 N ATOM 731 CA GLN A 58 -1.044 -2.627 -3.896 1.00 0.00 C ATOM 732 C GLN A 58 0.089 -2.010 -4.709 1.00 0.00 C ATOM 733 O GLN A 58 0.130 -2.136 -5.934 1.00 0.00 O ATOM 734 CB GLN A 58 -1.085 -4.140 -4.122 1.00 0.00 C ATOM 735 CG GLN A 58 0.230 -4.839 -3.814 1.00 0.00 C ATOM 736 CD GLN A 58 1.203 -4.786 -4.974 1.00 0.00 C ATOM 737 OE1 GLN A 58 0.803 -4.600 -6.122 1.00 0.00 O ATOM 738 NE2 GLN A 58 2.487 -4.952 -4.678 1.00 0.00 N ATOM 0 H GLN A 58 -2.411 -1.754 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.856 -2.426 -2.841 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.870 -4.570 -3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.357 -4.336 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.687 -4.376 -2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.033 -5.880 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.772 -5.104 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.188 -4.928 -5.418 1.00 0.00 H new ATOM 747 N ILE A 59 1.014 -1.350 -4.019 1.00 0.00 N ATOM 748 CA ILE A 59 2.151 -0.718 -4.676 1.00 0.00 C ATOM 749 C ILE A 59 3.110 -1.768 -5.230 1.00 0.00 C ATOM 750 O ILE A 59 3.642 -2.592 -4.489 1.00 0.00 O ATOM 751 CB ILE A 59 2.919 0.202 -3.708 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.952 1.150 -2.995 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.985 0.991 -4.455 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.630 2.090 -2.023 1.00 0.00 C ATOM 0 H ILE A 59 0.998 -1.239 -3.005 1.00 0.00 H new ATOM 0 HA ILE A 59 1.754 -0.118 -5.495 1.00 0.00 H new ATOM 0 HB ILE A 59 3.412 -0.418 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.416 1.737 -3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.208 0.561 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.518 1.636 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.689 0.301 -4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.513 1.602 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.883 2.731 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.143 1.511 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.354 2.706 -2.557 1.00 0.00 H new ATOM 766 N VAL A 60 3.318 -1.737 -6.544 1.00 0.00 N ATOM 767 CA VAL A 60 4.204 -2.692 -7.199 1.00 0.00 C ATOM 768 C VAL A 60 5.577 -2.084 -7.480 1.00 0.00 C ATOM 769 O VAL A 60 6.546 -2.809 -7.708 1.00 0.00 O ATOM 770 CB VAL A 60 3.602 -3.199 -8.522 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.343 -4.013 -8.261 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.310 -2.035 -9.458 1.00 0.00 C ATOM 0 H VAL A 60 2.885 -1.062 -7.174 1.00 0.00 H new ATOM 0 HA VAL A 60 4.320 -3.530 -6.511 1.00 0.00 H new ATOM 0 HB VAL A 60 4.332 -3.849 -9.005 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.933 -4.362 -9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.587 -4.870 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.606 -3.390 -7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.885 -2.413 -10.388 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.600 -1.356 -8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.235 -1.500 -9.673 1.00 0.00 H new ATOM 782 N GLU A 61 5.660 -0.757 -7.466 1.00 0.00 N ATOM 783 CA GLU A 61 6.923 -0.073 -7.724 1.00 0.00 C ATOM 784 C GLU A 61 6.912 1.344 -7.158 1.00 0.00 C ATOM 785 O GLU A 61 5.854 1.950 -6.988 1.00 0.00 O ATOM 786 CB GLU A 61 7.204 -0.032 -9.228 1.00 0.00 C ATOM 787 CG GLU A 61 8.673 -0.207 -9.578 1.00 0.00 C ATOM 788 CD GLU A 61 8.875 -0.831 -10.945 1.00 0.00 C ATOM 789 OE1 GLU A 61 8.831 -2.076 -11.041 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.078 -0.076 -11.919 1.00 0.00 O ATOM 0 H GLU A 61 4.872 -0.137 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 61 7.714 -0.632 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.626 -0.816 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.855 0.920 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.168 0.764 -9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.151 -0.831 -8.823 1.00 0.00 H new ATOM 797 N VAL A 62 8.101 1.866 -6.869 1.00 0.00 N ATOM 798 CA VAL A 62 8.238 3.213 -6.326 1.00 0.00 C ATOM 799 C VAL A 62 9.593 3.814 -6.689 1.00 0.00 C ATOM 800 O VAL A 62 10.630 3.386 -6.180 1.00 0.00 O ATOM 801 CB VAL A 62 8.079 3.222 -4.792 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.177 4.643 -4.248 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.760 2.581 -4.390 1.00 0.00 C ATOM 0 H VAL A 62 8.985 1.375 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 62 7.444 3.815 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 62 8.890 2.637 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.062 4.626 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.149 5.064 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.390 5.256 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.664 2.596 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.935 3.137 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.734 1.550 -4.742 1.00 0.00 H new ATOM 813 N ASN A 63 9.577 4.807 -7.573 1.00 0.00 N ATOM 814 CA ASN A 63 10.805 5.467 -8.003 1.00 0.00 C ATOM 815 C ASN A 63 11.773 4.467 -8.628 1.00 0.00 C ATOM 816 O ASN A 63 12.990 4.629 -8.542 1.00 0.00 O ATOM 817 CB ASN A 63 11.474 6.170 -6.821 1.00 0.00 C ATOM 818 CG ASN A 63 12.399 7.288 -7.260 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.070 8.515 -6.871 1.00 0.00 O flip ATOM 820 ND2 ASN A 63 13.396 7.053 -7.941 1.00 0.00 N flip ATOM 0 H ASN A 63 8.728 5.172 -8.005 1.00 0.00 H new ATOM 0 HA ASN A 63 10.541 6.209 -8.756 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.707 6.575 -6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.040 5.441 -6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.611 6.095 -8.217 1.00 0.00 H new ATOM 0 HD22 ASN A 63 14.008 7.816 -8.229 1.00 0.00 H new ATOM 827 N GLY A 64 11.224 3.431 -9.255 1.00 0.00 N ATOM 828 CA GLY A 64 12.052 2.420 -9.884 1.00 0.00 C ATOM 829 C GLY A 64 12.226 1.190 -9.015 1.00 0.00 C ATOM 830 O GLY A 64 12.372 0.078 -9.523 1.00 0.00 O ATOM 0 H GLY A 64 10.220 3.274 -9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.605 2.129 -10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.031 2.844 -10.108 1.00 0.00 H new ATOM 834 N VAL A 65 12.212 1.390 -7.701 1.00 0.00 N ATOM 835 CA VAL A 65 12.370 0.288 -6.760 1.00 0.00 C ATOM 836 C VAL A 65 11.205 -0.692 -6.859 1.00 0.00 C ATOM 837 O VAL A 65 10.042 -0.291 -6.859 1.00 0.00 O ATOM 838 CB VAL A 65 12.473 0.797 -5.309 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.835 -0.339 -4.367 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.486 1.927 -5.211 1.00 0.00 C ATOM 0 H VAL A 65 12.093 2.304 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 65 13.296 -0.222 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 65 11.500 1.186 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.903 0.041 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.067 -1.111 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.795 -0.763 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.545 2.274 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.464 1.567 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.175 2.751 -5.853 1.00 0.00 H new ATOM 850 N ASP A 66 11.527 -1.979 -6.942 1.00 0.00 N ATOM 851 CA ASP A 66 10.508 -3.017 -7.042 1.00 0.00 C ATOM 852 C ASP A 66 9.867 -3.285 -5.685 1.00 0.00 C ATOM 853 O ASP A 66 10.531 -3.728 -4.750 1.00 0.00 O ATOM 854 CB ASP A 66 11.117 -4.307 -7.595 1.00 0.00 C ATOM 855 CG ASP A 66 10.064 -5.340 -7.945 1.00 0.00 C ATOM 856 OD1 ASP A 66 8.892 -4.953 -8.131 1.00 0.00 O ATOM 857 OD2 ASP A 66 10.413 -6.536 -8.035 1.00 0.00 O ATOM 0 H ASP A 66 12.486 -2.328 -6.942 1.00 0.00 H new ATOM 0 HA ASP A 66 9.734 -2.666 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.705 -4.076 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.803 -4.726 -6.859 1.00 0.00 H new ATOM 862 N PHE A 67 8.569 -3.012 -5.584 1.00 0.00 N ATOM 863 CA PHE A 67 7.836 -3.224 -4.341 1.00 0.00 C ATOM 864 C PHE A 67 7.250 -4.634 -4.275 1.00 0.00 C ATOM 865 O PHE A 67 6.745 -5.055 -3.234 1.00 0.00 O ATOM 866 CB PHE A 67 6.719 -2.188 -4.203 1.00 0.00 C ATOM 867 CG PHE A 67 7.097 -1.004 -3.357 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.329 -0.389 -3.514 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.219 -0.507 -2.408 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.677 0.700 -2.739 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.562 0.582 -1.630 1.00 0.00 C ATOM 872 CZ PHE A 67 7.793 1.186 -1.795 1.00 0.00 C ATOM 0 H PHE A 67 8.004 -2.643 -6.349 1.00 0.00 H new ATOM 0 HA PHE A 67 8.538 -3.109 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.434 -1.839 -5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.841 -2.668 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.024 -0.765 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.255 -0.976 -2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.640 1.171 -2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.868 0.960 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.064 2.037 -1.187 1.00 0.00 H new ATOM 882 N SER A 68 7.316 -5.361 -5.389 1.00 0.00 N ATOM 883 CA SER A 68 6.789 -6.720 -5.448 1.00 0.00 C ATOM 884 C SER A 68 7.404 -7.597 -4.362 1.00 0.00 C ATOM 885 O SER A 68 6.767 -8.525 -3.865 1.00 0.00 O ATOM 886 CB SER A 68 7.055 -7.333 -6.825 1.00 0.00 C ATOM 887 OG SER A 68 6.327 -8.536 -6.999 1.00 0.00 O ATOM 0 H SER A 68 7.729 -5.031 -6.261 1.00 0.00 H new ATOM 0 HA SER A 68 5.713 -6.670 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.778 -6.621 -7.603 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.121 -7.530 -6.939 1.00 0.00 H new ATOM 0 HG SER A 68 6.514 -8.906 -7.887 1.00 0.00 H new ATOM 893 N ASN A 69 8.647 -7.296 -3.998 1.00 0.00 N ATOM 894 CA ASN A 69 9.347 -8.056 -2.969 1.00 0.00 C ATOM 895 C ASN A 69 9.964 -7.125 -1.930 1.00 0.00 C ATOM 896 O ASN A 69 11.017 -7.421 -1.366 1.00 0.00 O ATOM 897 CB ASN A 69 10.434 -8.929 -3.600 1.00 0.00 C ATOM 898 CG ASN A 69 10.746 -10.155 -2.766 1.00 0.00 C ATOM 899 OD1 ASN A 69 9.864 -10.966 -2.482 1.00 0.00 O ATOM 900 ND2 ASN A 69 12.005 -10.298 -2.370 1.00 0.00 N ATOM 0 H ASN A 69 9.189 -6.532 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 69 8.621 -8.698 -2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.114 -9.241 -4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.342 -8.339 -3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.274 -11.105 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.703 -9.601 -2.629 1.00 0.00 H new ATOM 907 N LEU A 70 9.301 -6.001 -1.683 1.00 0.00 N ATOM 908 CA LEU A 70 9.784 -5.027 -0.713 1.00 0.00 C ATOM 909 C LEU A 70 9.109 -5.223 0.641 1.00 0.00 C ATOM 910 O LEU A 70 7.951 -5.633 0.714 1.00 0.00 O ATOM 911 CB LEU A 70 9.532 -3.604 -1.217 1.00 0.00 C ATOM 912 CG LEU A 70 10.126 -2.493 -0.348 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.394 -1.940 -0.978 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.110 -1.381 -0.132 1.00 0.00 C ATOM 0 H LEU A 70 8.427 -5.742 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 70 10.856 -5.179 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.940 -3.514 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.456 -3.448 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 70 10.382 -2.919 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.801 -1.151 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.128 -2.739 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.163 -1.532 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.551 -0.601 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.822 -0.960 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.229 -1.785 0.366 1.00 0.00 H new ATOM 926 N ASP A 71 9.843 -4.930 1.709 1.00 0.00 N ATOM 927 CA ASP A 71 9.316 -5.075 3.062 1.00 0.00 C ATOM 928 C ASP A 71 8.396 -3.910 3.414 1.00 0.00 C ATOM 929 O ASP A 71 8.262 -2.956 2.647 1.00 0.00 O ATOM 930 CB ASP A 71 10.461 -5.158 4.071 1.00 0.00 C ATOM 931 CG ASP A 71 10.123 -6.035 5.260 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.157 -7.275 5.110 1.00 0.00 O ATOM 933 OD2 ASP A 71 9.824 -5.483 6.339 1.00 0.00 O ATOM 0 H ASP A 71 10.804 -4.591 1.665 1.00 0.00 H new ATOM 0 HA ASP A 71 8.737 -5.998 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.350 -5.549 3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.706 -4.155 4.421 1.00 0.00 H new ATOM 938 N HIS A 72 7.762 -3.994 4.579 1.00 0.00 N ATOM 939 CA HIS A 72 6.855 -2.947 5.033 1.00 0.00 C ATOM 940 C HIS A 72 7.620 -1.672 5.371 1.00 0.00 C ATOM 941 O HIS A 72 7.319 -0.598 4.849 1.00 0.00 O ATOM 942 CB HIS A 72 6.066 -3.420 6.256 1.00 0.00 C ATOM 943 CG HIS A 72 4.684 -2.851 6.333 1.00 0.00 C ATOM 944 ND1 HIS A 72 3.633 -3.505 6.941 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.181 -1.680 5.874 1.00 0.00 C ATOM 946 CE1 HIS A 72 2.544 -2.761 6.853 1.00 0.00 C ATOM 947 NE2 HIS A 72 2.850 -1.650 6.211 1.00 0.00 N ATOM 0 H HIS A 72 7.860 -4.777 5.226 1.00 0.00 H new ATOM 0 HA HIS A 72 6.160 -2.729 4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.002 -4.508 6.238 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.613 -3.148 7.159 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.725 -0.913 5.342 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.570 -3.019 7.241 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.202 -0.891 5.999 1.00 0.00 H new ATOM 956 N LYS A 73 8.612 -1.797 6.248 1.00 0.00 N ATOM 957 CA LYS A 73 9.422 -0.656 6.656 1.00 0.00 C ATOM 958 C LYS A 73 10.109 -0.015 5.453 1.00 0.00 C ATOM 959 O LYS A 73 10.229 1.207 5.374 1.00 0.00 O ATOM 960 CB LYS A 73 10.469 -1.090 7.686 1.00 0.00 C ATOM 961 CG LYS A 73 10.084 -0.755 9.119 1.00 0.00 C ATOM 962 CD LYS A 73 11.251 -0.146 9.882 1.00 0.00 C ATOM 963 CE LYS A 73 11.131 -0.395 11.377 1.00 0.00 C ATOM 964 NZ LYS A 73 12.234 0.253 12.139 1.00 0.00 N ATOM 0 H LYS A 73 8.874 -2.678 6.690 1.00 0.00 H new ATOM 0 HA LYS A 73 8.761 0.083 7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.626 -2.165 7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.419 -0.610 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.245 -0.059 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.748 -1.659 9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.187 -0.569 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.290 0.927 9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.173 -0.016 11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.140 -1.468 11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.115 0.059 13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.147 -0.127 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.211 1.280 11.978 1.00 0.00 H new ATOM 978 N GLU A 74 10.559 -0.849 4.522 1.00 0.00 N ATOM 979 CA GLU A 74 11.235 -0.364 3.325 1.00 0.00 C ATOM 980 C GLU A 74 10.319 0.544 2.510 1.00 0.00 C ATOM 981 O GLU A 74 10.734 1.602 2.041 1.00 0.00 O ATOM 982 CB GLU A 74 11.704 -1.539 2.465 1.00 0.00 C ATOM 983 CG GLU A 74 13.052 -2.100 2.886 1.00 0.00 C ATOM 984 CD GLU A 74 13.376 -3.416 2.208 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.294 -3.477 0.962 1.00 0.00 O ATOM 986 OE2 GLU A 74 13.712 -4.385 2.919 1.00 0.00 O ATOM 0 H GLU A 74 10.468 -1.864 4.573 1.00 0.00 H new ATOM 0 HA GLU A 74 12.103 0.215 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.959 -2.333 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.762 -1.217 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.831 -1.375 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.061 -2.241 3.967 1.00 0.00 H new ATOM 993 N ALA A 75 9.069 0.120 2.343 1.00 0.00 N ATOM 994 CA ALA A 75 8.095 0.896 1.585 1.00 0.00 C ATOM 995 C ALA A 75 7.825 2.242 2.247 1.00 0.00 C ATOM 996 O ALA A 75 7.708 3.264 1.572 1.00 0.00 O ATOM 997 CB ALA A 75 6.798 0.112 1.436 1.00 0.00 C ATOM 0 H ALA A 75 8.708 -0.755 2.722 1.00 0.00 H new ATOM 0 HA ALA A 75 8.512 1.085 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.079 0.703 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.996 -0.822 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.389 -0.106 2.423 1.00 0.00 H new ATOM 1003 N VAL A 76 7.727 2.236 3.572 1.00 0.00 N ATOM 1004 CA VAL A 76 7.470 3.460 4.320 1.00 0.00 C ATOM 1005 C VAL A 76 8.681 4.388 4.290 1.00 0.00 C ATOM 1006 O VAL A 76 8.549 5.584 4.040 1.00 0.00 O ATOM 1007 CB VAL A 76 7.106 3.155 5.787 1.00 0.00 C ATOM 1008 CG1 VAL A 76 6.720 4.431 6.521 1.00 0.00 C ATOM 1009 CG2 VAL A 76 5.980 2.135 5.855 1.00 0.00 C ATOM 0 H VAL A 76 7.821 1.400 4.148 1.00 0.00 H new ATOM 0 HA VAL A 76 6.626 3.954 3.839 1.00 0.00 H new ATOM 0 HB VAL A 76 7.983 2.732 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.467 4.194 7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.558 5.128 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.859 4.886 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.736 1.931 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.100 2.530 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.296 1.212 5.369 1.00 0.00 H new ATOM 1019 N ASN A 77 9.858 3.828 4.548 1.00 0.00 N ATOM 1020 CA ASN A 77 11.092 4.609 4.554 1.00 0.00 C ATOM 1021 C ASN A 77 11.279 5.358 3.237 1.00 0.00 C ATOM 1022 O ASN A 77 11.491 6.570 3.229 1.00 0.00 O ATOM 1023 CB ASN A 77 12.294 3.697 4.812 1.00 0.00 C ATOM 1024 CG ASN A 77 13.256 4.283 5.826 1.00 0.00 C ATOM 1025 OD1 ASN A 77 14.455 4.393 5.570 1.00 0.00 O ATOM 1026 ND2 ASN A 77 12.734 4.665 6.986 1.00 0.00 N ATOM 0 H ASN A 77 9.985 2.837 4.756 1.00 0.00 H new ATOM 0 HA ASN A 77 11.020 5.344 5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.942 2.728 5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.821 3.521 3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.333 5.068 7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.734 4.556 7.156 1.00 0.00 H new ATOM 1033 N VAL A 78 11.202 4.631 2.129 1.00 0.00 N ATOM 1034 CA VAL A 78 11.366 5.234 0.811 1.00 0.00 C ATOM 1035 C VAL A 78 10.310 6.305 0.562 1.00 0.00 C ATOM 1036 O VAL A 78 10.620 7.393 0.074 1.00 0.00 O ATOM 1037 CB VAL A 78 11.289 4.176 -0.306 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.422 3.172 -0.166 1.00 0.00 C ATOM 1039 CG2 VAL A 78 9.940 3.473 -0.288 1.00 0.00 C ATOM 0 H VAL A 78 11.028 3.626 2.116 1.00 0.00 H new ATOM 0 HA VAL A 78 12.354 5.694 0.794 1.00 0.00 H new ATOM 0 HB VAL A 78 11.395 4.681 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.353 2.432 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.378 3.691 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.349 2.673 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.906 2.730 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.799 2.980 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.146 4.205 -0.441 1.00 0.00 H new ATOM 1049 N LEU A 79 9.063 5.994 0.903 1.00 0.00 N ATOM 1050 CA LEU A 79 7.964 6.937 0.717 1.00 0.00 C ATOM 1051 C LEU A 79 8.125 8.142 1.637 1.00 0.00 C ATOM 1052 O LEU A 79 7.714 9.253 1.300 1.00 0.00 O ATOM 1053 CB LEU A 79 6.622 6.247 0.984 1.00 0.00 C ATOM 1054 CG LEU A 79 5.904 5.718 -0.260 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.395 6.868 -1.115 1.00 0.00 C ATOM 1056 CD2 LEU A 79 6.828 4.822 -1.072 1.00 0.00 C ATOM 0 H LEU A 79 8.788 5.099 1.308 1.00 0.00 H new ATOM 0 HA LEU A 79 7.984 7.286 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.789 5.416 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.964 6.952 1.492 1.00 0.00 H new ATOM 0 HG LEU A 79 5.049 5.126 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.888 6.471 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.697 7.471 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.235 7.487 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.299 4.456 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.703 5.391 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.144 3.976 -0.461 1.00 0.00 H new ATOM 1068 N LYS A 80 8.731 7.918 2.800 1.00 0.00 N ATOM 1069 CA LYS A 80 8.950 8.985 3.770 1.00 0.00 C ATOM 1070 C LYS A 80 10.190 9.800 3.412 1.00 0.00 C ATOM 1071 O LYS A 80 10.265 10.994 3.700 1.00 0.00 O ATOM 1072 CB LYS A 80 9.102 8.400 5.176 1.00 0.00 C ATOM 1073 CG LYS A 80 7.857 8.540 6.036 1.00 0.00 C ATOM 1074 CD LYS A 80 6.678 7.786 5.445 1.00 0.00 C ATOM 1075 CE LYS A 80 5.676 7.390 6.518 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.109 8.577 7.212 1.00 0.00 N ATOM 0 H LYS A 80 9.079 7.005 3.093 1.00 0.00 H new ATOM 0 HA LYS A 80 8.083 9.645 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.359 7.344 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.935 8.893 5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.063 8.165 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.601 9.595 6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.185 8.407 4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.036 6.893 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.869 6.814 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.162 6.741 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.191 8.327 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.761 8.886 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.977 9.349 6.528 1.00 0.00 H new ATOM 1090 N SER A 81 11.162 9.143 2.787 1.00 0.00 N ATOM 1091 CA SER A 81 12.401 9.801 2.393 1.00 0.00 C ATOM 1092 C SER A 81 12.165 10.788 1.254 1.00 0.00 C ATOM 1093 O SER A 81 12.294 11.999 1.430 1.00 0.00 O ATOM 1094 CB SER A 81 13.443 8.763 1.973 1.00 0.00 C ATOM 1095 OG SER A 81 14.718 9.359 1.799 1.00 0.00 O ATOM 0 H SER A 81 11.114 8.154 2.543 1.00 0.00 H new ATOM 0 HA SER A 81 12.773 10.356 3.255 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.505 7.979 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.131 8.286 1.044 1.00 0.00 H new ATOM 0 HG SER A 81 15.366 8.674 1.532 1.00 0.00 H new ATOM 1101 N SER A 82 11.824 10.261 0.082 1.00 0.00 N ATOM 1102 CA SER A 82 11.576 11.096 -1.088 1.00 0.00 C ATOM 1103 C SER A 82 10.151 11.637 -1.085 1.00 0.00 C ATOM 1104 O SER A 82 9.204 10.922 -0.758 1.00 0.00 O ATOM 1105 CB SER A 82 11.828 10.301 -2.370 1.00 0.00 C ATOM 1106 OG SER A 82 13.165 10.455 -2.813 1.00 0.00 O ATOM 0 H SER A 82 11.713 9.260 -0.083 1.00 0.00 H new ATOM 0 HA SER A 82 12.264 11.941 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.620 9.246 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.143 10.635 -3.149 1.00 0.00 H new ATOM 0 HG SER A 82 13.300 9.935 -3.633 1.00 0.00 H new ATOM 1112 N ARG A 83 10.006 12.905 -1.457 1.00 0.00 N ATOM 1113 CA ARG A 83 8.697 13.546 -1.504 1.00 0.00 C ATOM 1114 C ARG A 83 8.060 13.366 -2.878 1.00 0.00 C ATOM 1115 O ARG A 83 6.945 12.860 -2.998 1.00 0.00 O ATOM 1116 CB ARG A 83 8.822 15.036 -1.177 1.00 0.00 C ATOM 1117 CG ARG A 83 9.368 15.311 0.214 1.00 0.00 C ATOM 1118 CD ARG A 83 9.486 16.803 0.482 1.00 0.00 C ATOM 1119 NE ARG A 83 10.741 17.354 -0.025 1.00 0.00 N ATOM 1120 CZ ARG A 83 10.961 18.654 -0.205 1.00 0.00 C ATOM 1121 NH1 ARG A 83 10.014 19.541 0.079 1.00 0.00 N ATOM 1122 NH2 ARG A 83 12.131 19.070 -0.670 1.00 0.00 N ATOM 0 H ARG A 83 10.781 13.510 -1.731 1.00 0.00 H new ATOM 0 HA ARG A 83 8.058 13.073 -0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.473 15.507 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.842 15.504 -1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.714 14.857 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.346 14.843 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.648 17.322 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.418 16.985 1.555 1.00 0.00 H new ATOM 0 HE ARG A 83 11.493 16.704 -0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.112 19.227 0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.189 20.536 -0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.862 18.394 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.300 20.066 -0.808 1.00 0.00 H new ATOM 1136 N SER A 84 8.781 13.781 -3.915 1.00 0.00 N ATOM 1137 CA SER A 84 8.295 13.663 -5.284 1.00 0.00 C ATOM 1138 C SER A 84 8.753 12.348 -5.904 1.00 0.00 C ATOM 1139 O SER A 84 9.747 12.305 -6.627 1.00 0.00 O ATOM 1140 CB SER A 84 8.790 14.840 -6.127 1.00 0.00 C ATOM 1141 OG SER A 84 8.122 14.890 -7.376 1.00 0.00 O ATOM 0 H SER A 84 9.706 14.203 -3.832 1.00 0.00 H new ATOM 0 HA SER A 84 7.205 13.677 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.627 15.772 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.864 14.749 -6.289 1.00 0.00 H new ATOM 0 HG SER A 84 7.433 14.194 -7.407 1.00 0.00 H new ATOM 1147 N LEU A 85 8.027 11.276 -5.606 1.00 0.00 N ATOM 1148 CA LEU A 85 8.365 9.956 -6.127 1.00 0.00 C ATOM 1149 C LEU A 85 7.219 9.370 -6.946 1.00 0.00 C ATOM 1150 O LEU A 85 6.046 9.575 -6.632 1.00 0.00 O ATOM 1151 CB LEU A 85 8.717 9.003 -4.978 1.00 0.00 C ATOM 1152 CG LEU A 85 8.034 9.310 -3.644 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.547 9.004 -3.722 1.00 0.00 C ATOM 1154 CD2 LEU A 85 8.684 8.520 -2.519 1.00 0.00 C ATOM 0 H LEU A 85 7.202 11.295 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 85 9.230 10.071 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.456 7.988 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.796 9.023 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 85 8.154 10.372 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.079 9.229 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.090 9.614 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.404 7.949 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.186 8.751 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.595 7.453 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.738 8.789 -2.447 1.00 0.00 H new ATOM 1166 N THR A 86 7.572 8.628 -7.991 1.00 0.00 N ATOM 1167 CA THR A 86 6.583 7.995 -8.853 1.00 0.00 C ATOM 1168 C THR A 86 6.293 6.580 -8.364 1.00 0.00 C ATOM 1169 O THR A 86 7.191 5.741 -8.304 1.00 0.00 O ATOM 1170 CB THR A 86 7.076 7.960 -10.300 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.994 9.012 -10.541 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.960 8.081 -11.315 1.00 0.00 C ATOM 0 H THR A 86 8.539 8.451 -8.261 1.00 0.00 H new ATOM 0 HA THR A 86 5.664 8.580 -8.815 1.00 0.00 H new ATOM 0 HB THR A 86 7.551 6.986 -10.422 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.528 9.872 -10.486 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.378 8.049 -12.321 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.260 7.255 -11.187 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.437 9.026 -11.169 1.00 0.00 H new ATOM 1180 N ILE A 87 5.041 6.323 -8.006 1.00 0.00 N ATOM 1181 CA ILE A 87 4.647 5.011 -7.509 1.00 0.00 C ATOM 1182 C ILE A 87 3.637 4.337 -8.430 1.00 0.00 C ATOM 1183 O ILE A 87 2.560 4.875 -8.690 1.00 0.00 O ATOM 1184 CB ILE A 87 4.050 5.109 -6.090 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.011 6.232 -6.029 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.152 5.338 -5.067 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.436 6.454 -4.647 1.00 0.00 C ATOM 0 H ILE A 87 4.283 7.004 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 87 5.553 4.405 -7.479 1.00 0.00 H new ATOM 0 HB ILE A 87 3.554 4.168 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.469 7.158 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.199 6.001 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.715 5.405 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.857 4.507 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.675 6.266 -5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.708 7.264 -4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.948 5.541 -4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.238 6.716 -3.957 1.00 0.00 H new ATOM 1199 N SER A 88 3.989 3.148 -8.910 1.00 0.00 N ATOM 1200 CA SER A 88 3.114 2.386 -9.793 1.00 0.00 C ATOM 1201 C SER A 88 2.306 1.373 -8.989 1.00 0.00 C ATOM 1202 O SER A 88 2.873 0.539 -8.281 1.00 0.00 O ATOM 1203 CB SER A 88 3.932 1.671 -10.871 1.00 0.00 C ATOM 1204 OG SER A 88 5.236 2.215 -10.969 1.00 0.00 O ATOM 0 H SER A 88 4.877 2.691 -8.701 1.00 0.00 H new ATOM 0 HA SER A 88 2.427 3.078 -10.280 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.995 0.608 -10.638 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.426 1.757 -11.832 1.00 0.00 H new ATOM 0 HG SER A 88 5.738 1.739 -11.663 1.00 0.00 H new ATOM 1210 N ILE A 89 0.984 1.457 -9.085 1.00 0.00 N ATOM 1211 CA ILE A 89 0.109 0.553 -8.351 1.00 0.00 C ATOM 1212 C ILE A 89 -0.931 -0.090 -9.263 1.00 0.00 C ATOM 1213 O ILE A 89 -1.435 0.537 -10.194 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.608 1.294 -7.202 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.618 0.370 -6.502 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.281 2.555 -7.726 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.035 0.473 -7.035 1.00 0.00 C ATOM 0 H ILE A 89 0.496 2.141 -9.663 1.00 0.00 H new ATOM 0 HA ILE A 89 0.740 -0.233 -7.937 1.00 0.00 H new ATOM 0 HB ILE A 89 0.135 1.590 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.279 -0.661 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.626 0.601 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.783 3.068 -6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.530 3.215 -8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.013 2.287 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.681 -0.212 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.398 1.493 -6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.046 0.212 -8.093 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.257 -1.344 -8.972 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.249 -2.081 -9.744 1.00 0.00 C ATOM 1231 C VAL A 90 -3.493 -2.331 -8.898 1.00 0.00 C ATOM 1232 O VAL A 90 -3.399 -2.778 -7.755 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.689 -3.426 -10.264 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -0.737 -4.042 -9.254 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -2.813 -4.399 -10.610 1.00 0.00 C ATOM 0 H VAL A 90 -0.846 -1.873 -8.203 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.511 -1.471 -10.609 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.132 -3.221 -11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.356 -4.987 -9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.095 -3.361 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.266 -4.221 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.386 -5.334 -10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.412 -4.594 -9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.445 -3.964 -11.385 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.653 -2.038 -9.468 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.912 -2.227 -8.767 1.00 0.00 C ATOM 1247 C ALA A 91 -6.212 -3.708 -8.559 1.00 0.00 C ATOM 1248 O ALA A 91 -6.113 -4.506 -9.491 1.00 0.00 O ATOM 1249 CB ALA A 91 -7.046 -1.560 -9.530 1.00 0.00 C ATOM 0 H ALA A 91 -4.747 -1.669 -10.414 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.824 -1.761 -7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.983 -1.710 -8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.846 -0.492 -9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.123 -1.999 -10.525 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.590 -4.059 -7.331 1.00 0.00 N ATOM 1256 CA ALA A 92 -6.926 -5.439 -6.973 1.00 0.00 C ATOM 1257 C ALA A 92 -5.699 -6.256 -6.570 1.00 0.00 C ATOM 1258 O ALA A 92 -5.835 -7.303 -5.936 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.672 -6.129 -8.107 1.00 0.00 C ATOM 0 H ALA A 92 -6.672 -3.399 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.578 -5.384 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.910 -7.152 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.594 -5.588 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.046 -6.142 -8.999 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.502 -5.790 -6.927 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.280 -6.508 -6.575 1.00 0.00 C ATOM 1267 C ALA A 93 -3.195 -6.754 -5.067 1.00 0.00 C ATOM 1268 O ALA A 93 -2.472 -7.640 -4.613 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.064 -5.736 -7.058 1.00 0.00 C ATOM 0 H ALA A 93 -4.354 -4.929 -7.453 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.302 -7.479 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.158 -6.280 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.112 -5.622 -8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.048 -4.752 -6.590 1.00 0.00 H new ATOM 1275 N GLY A 94 -3.937 -5.958 -4.300 1.00 0.00 N ATOM 1276 CA GLY A 94 -3.939 -6.093 -2.853 1.00 0.00 C ATOM 1277 C GLY A 94 -5.295 -6.491 -2.303 1.00 0.00 C ATOM 1278 O GLY A 94 -5.382 -7.140 -1.260 1.00 0.00 O ATOM 0 H GLY A 94 -4.540 -5.218 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.200 -6.839 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.633 -5.148 -2.404 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.358 -6.082 -2.991 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.720 -6.379 -2.549 1.00 0.00 C ATOM 1284 C ARG A 95 -7.924 -7.878 -2.362 1.00 0.00 C ATOM 1285 O ARG A 95 -8.651 -8.303 -1.464 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.735 -5.852 -3.565 1.00 0.00 C ATOM 1287 CG ARG A 95 -8.845 -4.336 -3.594 1.00 0.00 C ATOM 1288 CD ARG A 95 -9.777 -3.866 -4.699 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.167 -3.810 -4.257 1.00 0.00 N ATOM 1290 CZ ARG A 95 -11.667 -2.837 -3.497 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -10.891 -1.842 -3.087 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -12.946 -2.861 -3.146 1.00 0.00 N ATOM 0 H ARG A 95 -6.304 -5.544 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.872 -5.884 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.458 -6.206 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.714 -6.274 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.211 -3.978 -2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.856 -3.901 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.465 -2.879 -5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.695 -4.539 -5.553 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.793 -4.561 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.907 -1.820 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.279 -1.099 -2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.546 -3.624 -3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.329 -2.116 -2.564 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.273 -8.680 -3.200 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.388 -10.131 -3.102 1.00 0.00 C ATOM 1308 C GLU A 96 -7.162 -10.586 -1.661 1.00 0.00 C ATOM 1309 O GLU A 96 -7.848 -11.477 -1.162 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.379 -10.811 -4.029 1.00 0.00 C ATOM 1311 CG GLU A 96 -6.570 -12.315 -4.136 1.00 0.00 C ATOM 1312 CD GLU A 96 -5.256 -13.072 -4.139 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -4.388 -12.754 -4.980 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -5.092 -13.982 -3.299 1.00 0.00 O ATOM 0 H GLU A 96 -6.664 -8.352 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.394 -10.417 -3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.458 -10.371 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.371 -10.606 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.182 -12.660 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.119 -12.544 -5.050 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.198 -9.953 -0.999 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.876 -10.271 0.387 1.00 0.00 C ATOM 1323 C LEU A 97 -6.978 -9.786 1.326 1.00 0.00 C ATOM 1324 O LEU A 97 -7.578 -10.574 2.057 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.545 -9.632 0.781 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.299 -10.324 0.227 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -3.105 -11.680 0.885 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.396 -10.471 -1.284 1.00 0.00 C ATOM 0 H LEU A 97 -5.624 -9.213 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.795 -11.354 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.545 -8.595 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.477 -9.614 1.869 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.432 -9.705 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.214 -12.158 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.988 -11.549 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.974 -12.307 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.500 -10.966 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.273 -11.068 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.485 -9.485 -1.741 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.231 -8.480 1.300 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.254 -7.871 2.148 1.00 0.00 C ATOM 1342 C PHE A 98 -9.573 -8.637 2.067 1.00 0.00 C ATOM 1343 O PHE A 98 -10.356 -8.644 3.016 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.473 -6.411 1.745 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.771 -5.431 2.640 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -8.241 -5.181 3.920 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.640 -4.760 2.203 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.596 -4.281 4.747 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -5.992 -3.858 3.025 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.470 -3.618 4.299 1.00 0.00 C ATOM 0 H PHE A 98 -6.739 -7.820 0.698 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.901 -7.912 3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.126 -6.269 0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.542 -6.197 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -9.122 -5.696 4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.261 -4.944 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.972 -4.096 5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.112 -3.341 2.672 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.964 -2.914 4.943 1.00 0.00 H new ATOM 1454 N ILE B 115 0.204 -2.211 9.782 1.00 0.00 N ATOM 1455 CA ILE B 115 -0.211 -1.013 9.062 1.00 0.00 C ATOM 1456 C ILE B 115 0.688 0.172 9.399 1.00 0.00 C ATOM 1457 O ILE B 115 1.078 0.361 10.552 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.672 -0.642 9.380 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.575 -1.867 9.234 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -2.142 0.484 8.471 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -4.029 -1.588 9.547 1.00 0.00 C ATOM 0 HA ILE B 115 -0.125 -1.239 7.999 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.728 -0.295 10.412 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.498 -2.246 8.215 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -2.214 -2.655 9.895 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.176 0.735 8.708 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.512 1.361 8.622 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -2.075 0.164 7.431 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.610 -2.502 9.422 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -4.119 -1.238 10.575 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.407 -0.823 8.869 1.00 0.00 H new ATOM 1473 N THR B 116 1.013 0.969 8.386 1.00 0.00 N ATOM 1474 CA THR B 116 1.865 2.138 8.573 1.00 0.00 C ATOM 1475 C THR B 116 1.268 3.360 7.883 1.00 0.00 C ATOM 1476 O THR B 116 0.867 3.296 6.722 1.00 0.00 O ATOM 1477 CB THR B 116 3.268 1.865 8.026 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.796 0.670 8.574 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.251 2.978 8.318 1.00 0.00 C ATOM 0 H THR B 116 0.699 0.826 7.426 1.00 0.00 H new ATOM 0 HA THR B 116 1.932 2.341 9.642 1.00 0.00 H new ATOM 0 HB THR B 116 3.146 1.784 6.946 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.587 -0.082 7.981 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.226 2.721 7.903 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.897 3.904 7.865 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.340 3.112 9.396 1.00 0.00 H new ATOM 1487 N GLU B 117 1.206 4.474 8.607 1.00 0.00 N ATOM 1488 CA GLU B 117 0.654 5.708 8.063 1.00 0.00 C ATOM 1489 C GLU B 117 1.728 6.526 7.353 1.00 0.00 C ATOM 1490 O GLU B 117 2.847 6.662 7.847 1.00 0.00 O ATOM 1491 CB GLU B 117 0.016 6.539 9.178 1.00 0.00 C ATOM 1492 CG GLU B 117 -0.963 5.757 10.038 1.00 0.00 C ATOM 1493 CD GLU B 117 -0.370 5.349 11.373 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -0.038 6.248 12.173 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -0.240 4.131 11.617 1.00 0.00 O ATOM 0 H GLU B 117 1.531 4.546 9.571 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.110 5.441 7.333 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.803 6.942 9.815 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.502 7.389 8.734 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.853 6.362 10.210 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.283 4.865 9.499 1.00 0.00 H new ATOM 1502 N LEU B 118 1.377 7.071 6.192 1.00 0.00 N ATOM 1503 CA LEU B 118 2.309 7.877 5.411 1.00 0.00 C ATOM 1504 C LEU B 118 1.763 9.285 5.199 1.00 0.00 C ATOM 1505 O LEU B 118 0.572 9.412 4.851 1.00 0.00 O ATOM 1506 CB LEU B 118 2.580 7.215 4.058 1.00 0.00 C ATOM 1507 CG LEU B 118 2.970 5.735 4.129 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.023 4.888 3.290 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.407 5.538 3.669 1.00 0.00 C ATOM 1510 OXT LEU B 118 2.534 10.250 5.385 1.00 0.00 O ATOM 0 H LEU B 118 0.453 6.969 5.771 1.00 0.00 H new ATOM 0 HA LEU B 118 3.244 7.947 5.967 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.689 7.311 3.438 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.378 7.762 3.556 1.00 0.00 H new ATOM 0 HG LEU B 118 2.892 5.412 5.167 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.318 3.841 3.354 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.005 5.002 3.663 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.067 5.214 2.251 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.666 4.481 3.726 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.510 5.881 2.640 1.00 0.00 H new ATOM 0 HD23 LEU B 118 5.076 6.111 4.311 1.00 0.00 H new