USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 644 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 83 CYS SG : rot 79:sc= 1.93 USER MOD Set 1.2: A 85 TYR OH : rot 49:sc= 0.509 USER MOD Set 2.1: A 27 CYS SG : rot -148:sc= 1.23 USER MOD Set 2.2: A 77 CYS SG : rot -164:sc= -2.77! USER MOD Single : A 5 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-3.3!) USER MOD Single : A 12 HIS : no HE2:sc= 0.0336 K(o=0.034,f=-2.5!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 26:sc= 0.111 USER MOD Single : A 20 SER OG : rot -45:sc= 0.64 USER MOD Single : A 22 CYS SG : rot -21:sc= 0.334 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -124:sc= 1.35 (180deg=-0.605) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 1:sc= 0.407 USER MOD Single : A 55 ASN : amide:sc= 0.321 K(o=0.32,f=-4.7!) USER MOD Single : A 59 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 67 THR OG1 : rot 75:sc= 0.979 USER MOD Single : A 68 GLN : amide:sc= 0.0322 X(o=0.032,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.710 -13.084 -2.992 1.00 10.40 N ATOM 51 CA VAL A 4 -10.501 -12.238 -2.807 1.00 34.22 C ATOM 52 C VAL A 4 -10.712 -11.223 -1.664 1.00 22.23 C ATOM 53 O VAL A 4 -11.799 -10.660 -1.516 1.00 2.31 O ATOM 54 CB VAL A 4 -10.111 -11.482 -4.144 1.00 35.24 C ATOM 55 CG1 VAL A 4 -11.329 -10.766 -4.781 1.00 72.52 C ATOM 56 CG2 VAL A 4 -8.922 -10.496 -3.921 1.00 32.34 C ATOM 0 HA VAL A 4 -9.677 -12.901 -2.541 1.00 34.22 H new ATOM 0 HB VAL A 4 -9.779 -12.241 -4.852 1.00 35.24 H new ATOM 0 HG11 VAL A 4 -11.017 -10.261 -5.695 1.00 72.52 H new ATOM 0 HG12 VAL A 4 -12.100 -11.500 -5.017 1.00 72.52 H new ATOM 0 HG13 VAL A 4 -11.728 -10.033 -4.080 1.00 72.52 H new ATOM 0 HG21 VAL A 4 -8.683 -9.996 -4.860 1.00 32.34 H new ATOM 0 HG22 VAL A 4 -9.201 -9.752 -3.175 1.00 32.34 H new ATOM 0 HG23 VAL A 4 -8.050 -11.050 -3.573 1.00 32.34 H new ATOM 66 N HIS A 5 -9.662 -11.036 -0.841 1.00 54.35 N ATOM 67 CA HIS A 5 -9.616 -10.034 0.251 1.00 2.12 C ATOM 68 C HIS A 5 -8.177 -9.458 0.391 1.00 75.21 C ATOM 69 O HIS A 5 -7.366 -9.572 -0.535 1.00 62.32 O ATOM 70 CB HIS A 5 -10.093 -10.680 1.586 1.00 61.40 C ATOM 71 CG HIS A 5 -11.564 -11.020 1.627 1.00 4.50 C ATOM 72 ND1 HIS A 5 -12.555 -10.069 1.480 1.00 32.21 N ATOM 73 CD2 HIS A 5 -12.208 -12.201 1.766 1.00 31.41 C ATOM 74 CE1 HIS A 5 -13.731 -10.647 1.535 1.00 72.22 C ATOM 75 NE2 HIS A 5 -13.556 -11.940 1.710 1.00 52.30 N ATOM 0 H HIS A 5 -8.805 -11.585 -0.915 1.00 54.35 H new ATOM 0 HA HIS A 5 -10.288 -9.210 0.010 1.00 2.12 H new ATOM 0 HB2 HIS A 5 -9.518 -11.589 1.761 1.00 61.40 H new ATOM 0 HB3 HIS A 5 -9.868 -9.998 2.406 1.00 61.40 H new ATOM 0 HD2 HIS A 5 -11.748 -13.169 1.897 1.00 31.41 H new ATOM 0 HE1 HIS A 5 -14.684 -10.146 1.451 1.00 72.22 H new ATOM 0 HE2 HIS A 5 -14.299 -12.634 1.791 1.00 52.30 H new ATOM 84 N ILE A 6 -7.879 -8.804 1.540 1.00 72.51 N ATOM 85 CA ILE A 6 -6.508 -8.343 1.901 1.00 44.21 C ATOM 86 C ILE A 6 -6.101 -8.940 3.270 1.00 75.02 C ATOM 87 O ILE A 6 -6.806 -8.743 4.265 1.00 34.11 O ATOM 88 CB ILE A 6 -6.416 -6.763 1.969 1.00 15.31 C ATOM 89 CG1 ILE A 6 -6.767 -6.125 0.587 1.00 54.14 C ATOM 90 CG2 ILE A 6 -5.015 -6.286 2.459 1.00 31.25 C ATOM 91 CD1 ILE A 6 -6.768 -4.605 0.560 1.00 14.35 C ATOM 0 H ILE A 6 -8.580 -8.579 2.246 1.00 72.51 H new ATOM 0 HA ILE A 6 -5.827 -8.687 1.122 1.00 44.21 H new ATOM 0 HB ILE A 6 -7.150 -6.426 2.700 1.00 15.31 H new ATOM 0 HG12 ILE A 6 -6.053 -6.486 -0.154 1.00 54.14 H new ATOM 0 HG13 ILE A 6 -7.751 -6.479 0.280 1.00 54.14 H new ATOM 0 HG21 ILE A 6 -4.992 -5.197 2.492 1.00 31.25 H new ATOM 0 HG22 ILE A 6 -4.824 -6.683 3.456 1.00 31.25 H new ATOM 0 HG23 ILE A 6 -4.248 -6.644 1.772 1.00 31.25 H new ATOM 0 HD11 ILE A 6 -7.023 -4.259 -0.442 1.00 14.35 H new ATOM 0 HD12 ILE A 6 -7.503 -4.229 1.272 1.00 14.35 H new ATOM 0 HD13 ILE A 6 -5.779 -4.236 0.831 1.00 14.35 H new ATOM 103 N VAL A 7 -4.981 -9.687 3.310 1.00 5.10 N ATOM 104 CA VAL A 7 -4.402 -10.226 4.576 1.00 45.44 C ATOM 105 C VAL A 7 -3.313 -9.290 5.165 1.00 70.22 C ATOM 106 O VAL A 7 -3.092 -9.264 6.384 1.00 42.05 O ATOM 107 CB VAL A 7 -3.789 -11.669 4.365 1.00 60.21 C ATOM 108 CG1 VAL A 7 -4.896 -12.714 4.093 1.00 44.12 C ATOM 109 CG2 VAL A 7 -2.726 -11.674 3.230 1.00 24.53 C ATOM 0 H VAL A 7 -4.448 -9.938 2.477 1.00 5.10 H new ATOM 0 HA VAL A 7 -5.228 -10.287 5.285 1.00 45.44 H new ATOM 0 HB VAL A 7 -3.286 -11.948 5.291 1.00 60.21 H new ATOM 0 HG11 VAL A 7 -4.443 -13.695 3.952 1.00 44.12 H new ATOM 0 HG12 VAL A 7 -5.580 -12.748 4.941 1.00 44.12 H new ATOM 0 HG13 VAL A 7 -5.446 -12.436 3.194 1.00 44.12 H new ATOM 0 HG21 VAL A 7 -2.325 -12.681 3.111 1.00 24.53 H new ATOM 0 HG22 VAL A 7 -3.189 -11.356 2.296 1.00 24.53 H new ATOM 0 HG23 VAL A 7 -1.917 -10.989 3.486 1.00 24.53 H new ATOM 119 N ASP A 8 -2.648 -8.525 4.287 1.00 3.05 N ATOM 120 CA ASP A 8 -1.453 -7.736 4.636 1.00 71.10 C ATOM 121 C ASP A 8 -1.561 -6.306 4.031 1.00 63.24 C ATOM 122 O ASP A 8 -1.617 -6.178 2.812 1.00 14.22 O ATOM 123 CB ASP A 8 -0.205 -8.481 4.091 1.00 64.41 C ATOM 124 CG ASP A 8 1.109 -7.747 4.384 1.00 15.45 C ATOM 125 OD1 ASP A 8 1.626 -7.865 5.519 1.00 30.01 O ATOM 126 OD2 ASP A 8 1.619 -7.032 3.493 1.00 50.53 O ATOM 0 H ASP A 8 -2.924 -8.434 3.309 1.00 3.05 H new ATOM 0 HA ASP A 8 -1.369 -7.629 5.717 1.00 71.10 H new ATOM 0 HB2 ASP A 8 -0.163 -9.478 4.531 1.00 64.41 H new ATOM 0 HB3 ASP A 8 -0.309 -8.612 3.014 1.00 64.41 H new ATOM 131 N PRO A 9 -1.646 -5.203 4.852 1.00 0.31 N ATOM 132 CA PRO A 9 -1.861 -5.253 6.326 1.00 23.41 C ATOM 133 C PRO A 9 -3.341 -5.510 6.714 1.00 31.54 C ATOM 134 O PRO A 9 -4.244 -5.493 5.863 1.00 13.51 O ATOM 135 CB PRO A 9 -1.392 -3.852 6.779 1.00 12.44 C ATOM 136 CG PRO A 9 -1.747 -2.966 5.631 1.00 34.33 C ATOM 137 CD PRO A 9 -1.486 -3.795 4.386 1.00 32.13 C ATOM 0 HA PRO A 9 -1.324 -6.075 6.799 1.00 23.41 H new ATOM 0 HB2 PRO A 9 -1.894 -3.540 7.695 1.00 12.44 H new ATOM 0 HB3 PRO A 9 -0.321 -3.835 6.981 1.00 12.44 H new ATOM 0 HG2 PRO A 9 -2.790 -2.654 5.684 1.00 34.33 H new ATOM 0 HG3 PRO A 9 -1.142 -2.059 5.633 1.00 34.33 H new ATOM 0 HD2 PRO A 9 -2.192 -3.555 3.591 1.00 32.13 H new ATOM 0 HD3 PRO A 9 -0.486 -3.617 3.990 1.00 32.13 H new ATOM 145 N ARG A 10 -3.581 -5.732 8.015 1.00 64.13 N ATOM 146 CA ARG A 10 -4.903 -6.108 8.541 1.00 21.24 C ATOM 147 C ARG A 10 -5.397 -5.114 9.643 1.00 5.03 C ATOM 148 O ARG A 10 -6.423 -5.339 10.295 1.00 74.00 O ATOM 149 CB ARG A 10 -4.777 -7.574 9.056 1.00 74.13 C ATOM 150 CG ARG A 10 -6.070 -8.265 9.540 1.00 74.12 C ATOM 151 CD ARG A 10 -7.190 -8.336 8.474 1.00 24.13 C ATOM 152 NE ARG A 10 -7.849 -7.026 8.251 1.00 31.22 N ATOM 153 CZ ARG A 10 -8.435 -6.638 7.138 1.00 54.42 C ATOM 154 NH1 ARG A 10 -8.493 -7.399 6.099 1.00 54.24 N ATOM 155 NH2 ARG A 10 -8.964 -5.459 7.074 1.00 23.00 N ATOM 0 H ARG A 10 -2.862 -5.656 8.734 1.00 64.13 H new ATOM 0 HA ARG A 10 -5.665 -6.051 7.763 1.00 21.24 H new ATOM 0 HB2 ARG A 10 -4.351 -8.178 8.255 1.00 74.13 H new ATOM 0 HB3 ARG A 10 -4.061 -7.583 9.878 1.00 74.13 H new ATOM 0 HG2 ARG A 10 -5.828 -9.277 9.864 1.00 74.12 H new ATOM 0 HG3 ARG A 10 -6.448 -7.733 10.413 1.00 74.12 H new ATOM 0 HD2 ARG A 10 -6.769 -8.692 7.533 1.00 24.13 H new ATOM 0 HD3 ARG A 10 -7.937 -9.066 8.785 1.00 24.13 H new ATOM 0 HE ARG A 10 -7.848 -6.367 9.030 1.00 31.22 H new ATOM 0 HH11 ARG A 10 -8.078 -8.330 6.125 1.00 54.24 H new ATOM 0 HH12 ARG A 10 -8.954 -7.070 5.251 1.00 54.24 H new ATOM 0 HH21 ARG A 10 -8.925 -4.838 7.882 1.00 23.00 H new ATOM 0 HH22 ARG A 10 -9.420 -5.151 6.215 1.00 23.00 H new ATOM 169 N GLU A 11 -4.687 -3.985 9.802 1.00 24.35 N ATOM 170 CA GLU A 11 -4.958 -3.007 10.887 1.00 13.23 C ATOM 171 C GLU A 11 -4.549 -1.568 10.490 1.00 60.04 C ATOM 172 O GLU A 11 -4.112 -1.318 9.358 1.00 44.20 O ATOM 173 CB GLU A 11 -4.215 -3.440 12.192 1.00 25.12 C ATOM 174 CG GLU A 11 -2.665 -3.478 12.108 1.00 71.21 C ATOM 175 CD GLU A 11 -2.111 -4.602 11.208 1.00 65.34 C ATOM 176 OE1 GLU A 11 -2.145 -5.778 11.625 1.00 10.42 O ATOM 177 OE2 GLU A 11 -1.667 -4.321 10.073 1.00 51.44 O ATOM 0 H GLU A 11 -3.914 -3.719 9.192 1.00 24.35 H new ATOM 0 HA GLU A 11 -6.034 -3.000 11.064 1.00 13.23 H new ATOM 0 HB2 GLU A 11 -4.500 -2.758 12.993 1.00 25.12 H new ATOM 0 HB3 GLU A 11 -4.569 -4.431 12.477 1.00 25.12 H new ATOM 0 HG2 GLU A 11 -2.308 -2.518 11.734 1.00 71.21 H new ATOM 0 HG3 GLU A 11 -2.260 -3.599 13.113 1.00 71.21 H new ATOM 184 N HIS A 12 -4.735 -0.623 11.440 1.00 22.44 N ATOM 185 CA HIS A 12 -4.284 0.775 11.294 1.00 42.43 C ATOM 186 C HIS A 12 -2.732 0.868 11.275 1.00 71.31 C ATOM 187 O HIS A 12 -2.060 0.570 12.271 1.00 3.44 O ATOM 188 CB HIS A 12 -4.901 1.689 12.405 1.00 2.52 C ATOM 189 CG HIS A 12 -4.761 1.197 13.840 1.00 4.03 C ATOM 190 ND1 HIS A 12 -3.549 1.077 14.489 1.00 41.23 N ATOM 191 CD2 HIS A 12 -5.693 0.809 14.748 1.00 33.41 C ATOM 192 CE1 HIS A 12 -3.738 0.644 15.715 1.00 71.41 C ATOM 193 NE2 HIS A 12 -5.029 0.476 15.900 1.00 53.43 N ATOM 0 H HIS A 12 -5.202 -0.811 12.327 1.00 22.44 H new ATOM 0 HA HIS A 12 -4.644 1.141 10.333 1.00 42.43 H new ATOM 0 HB2 HIS A 12 -4.438 2.673 12.334 1.00 2.52 H new ATOM 0 HB3 HIS A 12 -5.962 1.820 12.190 1.00 2.52 H new ATOM 0 HD1 HIS A 12 -2.641 1.293 14.078 1.00 41.23 H new ATOM 0 HD2 HIS A 12 -6.761 0.770 14.591 1.00 33.41 H new ATOM 0 HE1 HIS A 12 -2.965 0.458 16.446 1.00 71.41 H new ATOM 202 N VAL A 13 -2.175 1.238 10.116 1.00 11.44 N ATOM 203 CA VAL A 13 -0.726 1.470 9.954 1.00 3.12 C ATOM 204 C VAL A 13 -0.411 2.976 10.092 1.00 23.43 C ATOM 205 O VAL A 13 -0.913 3.788 9.313 1.00 1.22 O ATOM 206 CB VAL A 13 -0.227 0.933 8.561 1.00 63.23 C ATOM 207 CG1 VAL A 13 1.269 1.235 8.325 1.00 32.02 C ATOM 208 CG2 VAL A 13 -0.515 -0.581 8.417 1.00 20.24 C ATOM 0 H VAL A 13 -2.712 1.386 9.261 1.00 11.44 H new ATOM 0 HA VAL A 13 -0.200 0.925 10.738 1.00 3.12 H new ATOM 0 HB VAL A 13 -0.787 1.464 7.792 1.00 63.23 H new ATOM 0 HG11 VAL A 13 1.570 0.846 7.352 1.00 32.02 H new ATOM 0 HG12 VAL A 13 1.431 2.313 8.351 1.00 32.02 H new ATOM 0 HG13 VAL A 13 1.864 0.759 9.105 1.00 32.02 H new ATOM 0 HG21 VAL A 13 -0.161 -0.928 7.446 1.00 20.24 H new ATOM 0 HG22 VAL A 13 0.001 -1.126 9.207 1.00 20.24 H new ATOM 0 HG23 VAL A 13 -1.588 -0.756 8.496 1.00 20.24 H new ATOM 218 N PHE A 14 0.393 3.342 11.106 1.00 12.45 N ATOM 219 CA PHE A 14 0.863 4.733 11.307 1.00 1.11 C ATOM 220 C PHE A 14 2.370 4.841 10.987 1.00 64.31 C ATOM 221 O PHE A 14 3.205 4.284 11.704 1.00 31.12 O ATOM 222 CB PHE A 14 0.570 5.200 12.758 1.00 72.41 C ATOM 223 CG PHE A 14 -0.922 5.286 13.083 1.00 44.34 C ATOM 224 CD1 PHE A 14 -1.680 6.380 12.659 1.00 3.41 C ATOM 225 CD2 PHE A 14 -1.569 4.276 13.793 1.00 61.03 C ATOM 226 CE1 PHE A 14 -3.030 6.459 12.937 1.00 71.34 C ATOM 227 CE2 PHE A 14 -2.920 4.357 14.069 1.00 50.55 C ATOM 228 CZ PHE A 14 -3.652 5.448 13.640 1.00 21.43 C ATOM 0 H PHE A 14 0.737 2.688 11.809 1.00 12.45 H new ATOM 0 HA PHE A 14 0.321 5.388 10.624 1.00 1.11 H new ATOM 0 HB2 PHE A 14 1.046 4.511 13.456 1.00 72.41 H new ATOM 0 HB3 PHE A 14 1.025 6.178 12.915 1.00 72.41 H new ATOM 0 HD1 PHE A 14 -1.203 7.176 12.106 1.00 3.41 H new ATOM 0 HD2 PHE A 14 -1.006 3.419 14.132 1.00 61.03 H new ATOM 0 HE1 PHE A 14 -3.600 7.314 12.604 1.00 71.34 H new ATOM 0 HE2 PHE A 14 -3.405 3.566 14.621 1.00 50.55 H new ATOM 0 HZ PHE A 14 -4.709 5.509 13.855 1.00 21.43 H new ATOM 238 N VAL A 15 2.704 5.552 9.895 1.00 22.21 N ATOM 239 CA VAL A 15 4.100 5.767 9.448 1.00 74.34 C ATOM 240 C VAL A 15 4.510 7.233 9.702 1.00 50.42 C ATOM 241 O VAL A 15 3.786 8.151 9.335 1.00 30.41 O ATOM 242 CB VAL A 15 4.258 5.427 7.918 1.00 62.11 C ATOM 243 CG1 VAL A 15 5.709 5.650 7.420 1.00 64.12 C ATOM 244 CG2 VAL A 15 3.791 3.982 7.630 1.00 45.51 C ATOM 0 H VAL A 15 2.012 5.998 9.292 1.00 22.21 H new ATOM 0 HA VAL A 15 4.750 5.103 10.018 1.00 74.34 H new ATOM 0 HB VAL A 15 3.620 6.115 7.363 1.00 62.11 H new ATOM 0 HG11 VAL A 15 5.772 5.403 6.360 1.00 64.12 H new ATOM 0 HG12 VAL A 15 5.988 6.693 7.567 1.00 64.12 H new ATOM 0 HG13 VAL A 15 6.389 5.010 7.982 1.00 64.12 H new ATOM 0 HG21 VAL A 15 3.908 3.767 6.568 1.00 45.51 H new ATOM 0 HG22 VAL A 15 4.393 3.283 8.211 1.00 45.51 H new ATOM 0 HG23 VAL A 15 2.742 3.876 7.908 1.00 45.51 H new ATOM 254 N HIS A 16 5.664 7.447 10.347 1.00 21.12 N ATOM 255 CA HIS A 16 6.198 8.806 10.592 1.00 35.33 C ATOM 256 C HIS A 16 7.162 9.221 9.456 1.00 52.42 C ATOM 257 O HIS A 16 8.025 8.431 9.049 1.00 22.11 O ATOM 258 CB HIS A 16 6.904 8.860 11.969 1.00 20.24 C ATOM 259 CG HIS A 16 5.990 8.591 13.143 1.00 41.50 C ATOM 260 ND1 HIS A 16 6.456 8.330 14.411 1.00 62.12 N ATOM 261 CD2 HIS A 16 4.634 8.569 13.237 1.00 3.03 C ATOM 262 CE1 HIS A 16 5.440 8.149 15.227 1.00 72.24 C ATOM 263 NE2 HIS A 16 4.324 8.292 14.542 1.00 33.32 N ATOM 0 H HIS A 16 6.252 6.698 10.712 1.00 21.12 H new ATOM 0 HA HIS A 16 5.370 9.514 10.604 1.00 35.33 H new ATOM 0 HB2 HIS A 16 7.714 8.131 11.979 1.00 20.24 H new ATOM 0 HB3 HIS A 16 7.358 9.843 12.094 1.00 20.24 H new ATOM 0 HD2 HIS A 16 3.933 8.738 12.433 1.00 3.03 H new ATOM 0 HE1 HIS A 16 5.509 7.922 16.281 1.00 72.24 H new ATOM 0 HE2 HIS A 16 3.381 8.210 14.922 1.00 33.32 H new ATOM 272 N ALA A 17 7.000 10.454 8.955 1.00 51.21 N ATOM 273 CA ALA A 17 7.780 10.973 7.814 1.00 71.14 C ATOM 274 C ALA A 17 8.151 12.461 7.997 1.00 42.13 C ATOM 275 O ALA A 17 7.654 13.146 8.894 1.00 21.41 O ATOM 276 CB ALA A 17 6.987 10.777 6.513 1.00 1.35 C ATOM 0 H ALA A 17 6.325 11.122 9.327 1.00 51.21 H new ATOM 0 HA ALA A 17 8.713 10.411 7.762 1.00 71.14 H new ATOM 0 HB1 ALA A 17 7.566 11.161 5.673 1.00 1.35 H new ATOM 0 HB2 ALA A 17 6.791 9.715 6.363 1.00 1.35 H new ATOM 0 HB3 ALA A 17 6.041 11.315 6.579 1.00 1.35 H new ATOM 282 N ILE A 18 9.048 12.926 7.126 1.00 40.42 N ATOM 283 CA ILE A 18 9.529 14.325 7.065 1.00 72.31 C ATOM 284 C ILE A 18 9.349 14.842 5.607 1.00 33.25 C ATOM 285 O ILE A 18 9.073 14.050 4.696 1.00 13.33 O ATOM 286 CB ILE A 18 11.051 14.381 7.533 1.00 61.45 C ATOM 287 CG1 ILE A 18 11.204 13.887 9.013 1.00 33.22 C ATOM 288 CG2 ILE A 18 11.700 15.780 7.367 1.00 33.21 C ATOM 289 CD1 ILE A 18 10.455 14.722 10.050 1.00 72.32 C ATOM 0 H ILE A 18 9.478 12.330 6.419 1.00 40.42 H new ATOM 0 HA ILE A 18 8.956 14.968 7.734 1.00 72.31 H new ATOM 0 HB ILE A 18 11.589 13.705 6.868 1.00 61.45 H new ATOM 0 HG12 ILE A 18 10.853 12.857 9.075 1.00 33.22 H new ATOM 0 HG13 ILE A 18 12.263 13.879 9.270 1.00 33.22 H new ATOM 0 HG21 ILE A 18 12.736 15.743 7.705 1.00 33.21 H new ATOM 0 HG22 ILE A 18 11.671 16.072 6.317 1.00 33.21 H new ATOM 0 HG23 ILE A 18 11.150 16.509 7.962 1.00 33.21 H new ATOM 0 HD11 ILE A 18 10.621 14.303 11.043 1.00 72.32 H new ATOM 0 HD12 ILE A 18 10.820 15.749 10.023 1.00 72.32 H new ATOM 0 HD13 ILE A 18 9.389 14.711 9.825 1.00 72.32 H new ATOM 301 N THR A 19 9.438 16.169 5.399 1.00 72.42 N ATOM 302 CA THR A 19 9.507 16.774 4.046 1.00 73.22 C ATOM 303 C THR A 19 10.637 16.129 3.184 1.00 1.42 C ATOM 304 O THR A 19 11.787 16.034 3.639 1.00 64.35 O ATOM 305 CB THR A 19 9.746 18.321 4.142 1.00 73.32 C ATOM 306 OG1 THR A 19 10.981 18.598 4.843 1.00 42.31 O ATOM 307 CG2 THR A 19 8.587 19.033 4.871 1.00 3.41 C ATOM 0 H THR A 19 9.464 16.852 6.156 1.00 72.42 H new ATOM 0 HA THR A 19 8.550 16.583 3.561 1.00 73.22 H new ATOM 0 HB THR A 19 9.803 18.701 3.122 1.00 73.32 H new ATOM 0 HG1 THR A 19 11.590 17.836 4.747 1.00 42.31 H new ATOM 0 HG21 THR A 19 8.789 20.103 4.918 1.00 3.41 H new ATOM 0 HG22 THR A 19 7.657 18.863 4.329 1.00 3.41 H new ATOM 0 HG23 THR A 19 8.495 18.637 5.882 1.00 3.41 H new ATOM 315 N SER A 20 10.270 15.661 1.964 1.00 44.53 N ATOM 316 CA SER A 20 11.204 15.030 0.984 1.00 14.44 C ATOM 317 C SER A 20 11.764 13.655 1.480 1.00 41.05 C ATOM 318 O SER A 20 12.878 13.253 1.130 1.00 50.23 O ATOM 319 CB SER A 20 12.348 16.019 0.589 1.00 63.25 C ATOM 320 OG SER A 20 13.190 15.492 -0.428 1.00 60.32 O ATOM 0 H SER A 20 9.309 15.709 1.625 1.00 44.53 H new ATOM 0 HA SER A 20 10.626 14.810 0.087 1.00 14.44 H new ATOM 0 HB2 SER A 20 11.912 16.957 0.246 1.00 63.25 H new ATOM 0 HB3 SER A 20 12.947 16.249 1.470 1.00 63.25 H new ATOM 0 HG SER A 20 13.412 14.561 -0.219 1.00 60.32 H new ATOM 326 N GLU A 21 10.949 12.914 2.262 1.00 33.23 N ATOM 327 CA GLU A 21 11.318 11.560 2.788 1.00 55.43 C ATOM 328 C GLU A 21 11.017 10.463 1.721 1.00 41.03 C ATOM 329 O GLU A 21 10.272 10.707 0.775 1.00 64.03 O ATOM 330 CB GLU A 21 10.530 11.290 4.128 1.00 40.25 C ATOM 331 CG GLU A 21 11.320 10.598 5.272 1.00 11.12 C ATOM 332 CD GLU A 21 11.683 9.126 5.003 1.00 32.23 C ATOM 333 OE1 GLU A 21 10.802 8.256 5.142 1.00 51.35 O ATOM 334 OE2 GLU A 21 12.847 8.836 4.638 1.00 72.13 O ATOM 0 H GLU A 21 10.021 13.225 2.551 1.00 33.23 H new ATOM 0 HA GLU A 21 12.387 11.527 3.000 1.00 55.43 H new ATOM 0 HB2 GLU A 21 10.155 12.243 4.501 1.00 40.25 H new ATOM 0 HB3 GLU A 21 9.661 10.675 3.894 1.00 40.25 H new ATOM 0 HG2 GLU A 21 12.238 11.158 5.452 1.00 11.12 H new ATOM 0 HG3 GLU A 21 10.730 10.651 6.187 1.00 11.12 H new ATOM 341 N CYS A 22 11.624 9.266 1.863 1.00 41.32 N ATOM 342 CA CYS A 22 11.309 8.085 1.012 1.00 51.55 C ATOM 343 C CYS A 22 10.422 7.072 1.784 1.00 54.45 C ATOM 344 O CYS A 22 10.928 6.213 2.515 1.00 15.21 O ATOM 345 CB CYS A 22 12.608 7.413 0.509 1.00 2.52 C ATOM 346 SG CYS A 22 13.643 8.498 -0.500 1.00 34.42 S ATOM 0 H CYS A 22 12.342 9.085 2.564 1.00 41.32 H new ATOM 0 HA CYS A 22 10.748 8.429 0.143 1.00 51.55 H new ATOM 0 HB2 CYS A 22 13.185 7.070 1.368 1.00 2.52 H new ATOM 0 HB3 CYS A 22 12.347 6.529 -0.073 1.00 2.52 H new ATOM 0 HG CYS A 22 12.920 9.467 -0.977 1.00 34.42 H new ATOM 352 N VAL A 23 9.089 7.200 1.631 1.00 55.24 N ATOM 353 CA VAL A 23 8.093 6.346 2.337 1.00 41.43 C ATOM 354 C VAL A 23 7.541 5.223 1.415 1.00 73.20 C ATOM 355 O VAL A 23 7.012 5.503 0.339 1.00 43.51 O ATOM 356 CB VAL A 23 6.899 7.225 2.886 1.00 43.32 C ATOM 357 CG1 VAL A 23 5.796 6.370 3.569 1.00 10.12 C ATOM 358 CG2 VAL A 23 7.427 8.312 3.851 1.00 53.32 C ATOM 0 H VAL A 23 8.665 7.895 1.017 1.00 55.24 H new ATOM 0 HA VAL A 23 8.607 5.873 3.174 1.00 41.43 H new ATOM 0 HB VAL A 23 6.435 7.709 2.027 1.00 43.32 H new ATOM 0 HG11 VAL A 23 5.000 7.022 3.928 1.00 10.12 H new ATOM 0 HG12 VAL A 23 5.387 5.661 2.849 1.00 10.12 H new ATOM 0 HG13 VAL A 23 6.226 5.826 4.410 1.00 10.12 H new ATOM 0 HG21 VAL A 23 6.592 8.908 4.220 1.00 53.32 H new ATOM 0 HG22 VAL A 23 7.933 7.837 4.692 1.00 53.32 H new ATOM 0 HG23 VAL A 23 8.128 8.958 3.323 1.00 53.32 H new ATOM 368 N MET A 24 7.665 3.952 1.851 1.00 72.24 N ATOM 369 CA MET A 24 7.057 2.789 1.152 1.00 32.33 C ATOM 370 C MET A 24 5.886 2.200 1.985 1.00 20.11 C ATOM 371 O MET A 24 6.067 1.802 3.141 1.00 64.04 O ATOM 372 CB MET A 24 8.111 1.683 0.866 1.00 25.24 C ATOM 373 CG MET A 24 9.182 2.050 -0.169 1.00 55.42 C ATOM 374 SD MET A 24 10.259 0.649 -0.559 1.00 70.22 S ATOM 375 CE MET A 24 11.199 1.280 -1.952 1.00 53.12 C ATOM 0 H MET A 24 8.185 3.699 2.691 1.00 72.24 H new ATOM 0 HA MET A 24 6.671 3.147 0.198 1.00 32.33 H new ATOM 0 HB2 MET A 24 8.607 1.426 1.802 1.00 25.24 H new ATOM 0 HB3 MET A 24 7.591 0.788 0.525 1.00 25.24 H new ATOM 0 HG2 MET A 24 8.699 2.401 -1.081 1.00 55.42 H new ATOM 0 HG3 MET A 24 9.784 2.875 0.210 1.00 55.42 H new ATOM 0 HE1 MET A 24 11.901 0.519 -2.292 1.00 53.12 H new ATOM 0 HE2 MET A 24 10.519 1.535 -2.764 1.00 53.12 H new ATOM 0 HE3 MET A 24 11.749 2.170 -1.646 1.00 53.12 H new ATOM 385 N LEU A 25 4.684 2.174 1.385 1.00 30.31 N ATOM 386 CA LEU A 25 3.481 1.554 1.972 1.00 1.20 C ATOM 387 C LEU A 25 3.148 0.252 1.218 1.00 73.02 C ATOM 388 O LEU A 25 2.620 0.299 0.112 1.00 75.25 O ATOM 389 CB LEU A 25 2.295 2.549 1.881 1.00 22.11 C ATOM 390 CG LEU A 25 2.513 3.919 2.592 1.00 71.10 C ATOM 391 CD1 LEU A 25 1.305 4.850 2.387 1.00 24.04 C ATOM 392 CD2 LEU A 25 2.823 3.730 4.095 1.00 21.13 C ATOM 0 H LEU A 25 4.517 2.588 0.468 1.00 30.31 H new ATOM 0 HA LEU A 25 3.664 1.314 3.019 1.00 1.20 H new ATOM 0 HB2 LEU A 25 2.080 2.736 0.829 1.00 22.11 H new ATOM 0 HB3 LEU A 25 1.411 2.074 2.308 1.00 22.11 H new ATOM 0 HG LEU A 25 3.381 4.393 2.134 1.00 71.10 H new ATOM 0 HD11 LEU A 25 1.486 5.798 2.894 1.00 24.04 H new ATOM 0 HD12 LEU A 25 1.161 5.030 1.322 1.00 24.04 H new ATOM 0 HD13 LEU A 25 0.411 4.382 2.800 1.00 24.04 H new ATOM 0 HD21 LEU A 25 2.970 4.704 4.562 1.00 21.13 H new ATOM 0 HD22 LEU A 25 1.990 3.219 4.577 1.00 21.13 H new ATOM 0 HD23 LEU A 25 3.728 3.134 4.208 1.00 21.13 H new ATOM 404 N ALA A 26 3.483 -0.901 1.812 1.00 74.43 N ATOM 405 CA ALA A 26 3.292 -2.221 1.178 1.00 5.55 C ATOM 406 C ALA A 26 1.953 -2.856 1.597 1.00 3.54 C ATOM 407 O ALA A 26 1.507 -2.704 2.743 1.00 64.52 O ATOM 408 CB ALA A 26 4.472 -3.143 1.514 1.00 31.13 C ATOM 0 H ALA A 26 3.894 -0.950 2.744 1.00 74.43 H new ATOM 0 HA ALA A 26 3.258 -2.081 0.098 1.00 5.55 H new ATOM 0 HB1 ALA A 26 4.321 -4.114 1.042 1.00 31.13 H new ATOM 0 HB2 ALA A 26 5.397 -2.700 1.145 1.00 31.13 H new ATOM 0 HB3 ALA A 26 4.537 -3.271 2.594 1.00 31.13 H new ATOM 414 N CYS A 27 1.335 -3.569 0.647 1.00 11.05 N ATOM 415 CA CYS A 27 0.054 -4.262 0.842 1.00 53.14 C ATOM 416 C CYS A 27 -0.044 -5.459 -0.118 1.00 21.42 C ATOM 417 O CYS A 27 -0.117 -5.285 -1.340 1.00 12.54 O ATOM 418 CB CYS A 27 -1.132 -3.294 0.599 1.00 63.53 C ATOM 419 SG CYS A 27 -2.761 -4.067 0.754 1.00 11.31 S ATOM 0 H CYS A 27 1.716 -3.683 -0.292 1.00 11.05 H new ATOM 0 HA CYS A 27 0.006 -4.619 1.871 1.00 53.14 H new ATOM 0 HB2 CYS A 27 -1.064 -2.469 1.308 1.00 63.53 H new ATOM 0 HB3 CYS A 27 -1.039 -2.865 -0.399 1.00 63.53 H new ATOM 0 HG CYS A 27 -3.595 -3.487 -0.057 1.00 11.31 H new ATOM 425 N GLU A 28 -0.049 -6.676 0.441 1.00 40.51 N ATOM 426 CA GLU A 28 -0.215 -7.923 -0.335 1.00 64.42 C ATOM 427 C GLU A 28 -1.626 -8.515 -0.101 1.00 30.32 C ATOM 428 O GLU A 28 -2.089 -8.655 1.042 1.00 65.41 O ATOM 429 CB GLU A 28 0.909 -8.953 0.008 1.00 25.43 C ATOM 430 CG GLU A 28 2.243 -8.756 -0.766 1.00 13.22 C ATOM 431 CD GLU A 28 3.007 -7.446 -0.442 1.00 24.21 C ATOM 432 OE1 GLU A 28 3.653 -7.384 0.618 1.00 22.11 O ATOM 433 OE2 GLU A 28 3.000 -6.486 -1.261 1.00 42.14 O ATOM 0 H GLU A 28 0.062 -6.829 1.443 1.00 40.51 H new ATOM 0 HA GLU A 28 -0.120 -7.689 -1.395 1.00 64.42 H new ATOM 0 HB2 GLU A 28 1.116 -8.899 1.077 1.00 25.43 H new ATOM 0 HB3 GLU A 28 0.535 -9.957 -0.194 1.00 25.43 H new ATOM 0 HG2 GLU A 28 2.897 -9.601 -0.552 1.00 13.22 H new ATOM 0 HG3 GLU A 28 2.031 -8.779 -1.835 1.00 13.22 H new ATOM 440 N VAL A 29 -2.301 -8.848 -1.211 1.00 52.35 N ATOM 441 CA VAL A 29 -3.676 -9.390 -1.202 1.00 43.55 C ATOM 442 C VAL A 29 -3.742 -10.853 -0.697 1.00 23.11 C ATOM 443 O VAL A 29 -2.720 -11.518 -0.503 1.00 14.24 O ATOM 444 CB VAL A 29 -4.317 -9.292 -2.638 1.00 24.51 C ATOM 445 CG1 VAL A 29 -4.475 -7.824 -3.081 1.00 25.31 C ATOM 446 CG2 VAL A 29 -3.489 -10.080 -3.678 1.00 12.13 C ATOM 0 H VAL A 29 -1.910 -8.750 -2.148 1.00 52.35 H new ATOM 0 HA VAL A 29 -4.246 -8.779 -0.501 1.00 43.55 H new ATOM 0 HB VAL A 29 -5.309 -9.741 -2.580 1.00 24.51 H new ATOM 0 HG11 VAL A 29 -4.920 -7.790 -4.076 1.00 25.31 H new ATOM 0 HG12 VAL A 29 -5.120 -7.299 -2.377 1.00 25.31 H new ATOM 0 HG13 VAL A 29 -3.497 -7.344 -3.104 1.00 25.31 H new ATOM 0 HG21 VAL A 29 -3.958 -9.992 -4.658 1.00 12.13 H new ATOM 0 HG22 VAL A 29 -2.478 -9.674 -3.721 1.00 12.13 H new ATOM 0 HG23 VAL A 29 -3.446 -11.130 -3.389 1.00 12.13 H new ATOM 456 N ASP A 30 -4.974 -11.327 -0.481 1.00 42.20 N ATOM 457 CA ASP A 30 -5.265 -12.725 -0.107 1.00 23.24 C ATOM 458 C ASP A 30 -5.235 -13.648 -1.356 1.00 74.13 C ATOM 459 O ASP A 30 -4.790 -14.798 -1.283 1.00 13.23 O ATOM 460 CB ASP A 30 -6.651 -12.771 0.584 1.00 31.35 C ATOM 461 CG ASP A 30 -7.116 -14.188 0.960 1.00 73.35 C ATOM 462 OD1 ASP A 30 -6.493 -14.809 1.848 1.00 60.22 O ATOM 463 OD2 ASP A 30 -8.108 -14.679 0.381 1.00 12.10 O ATOM 0 H ASP A 30 -5.810 -10.748 -0.561 1.00 42.20 H new ATOM 0 HA ASP A 30 -4.502 -13.089 0.581 1.00 23.24 H new ATOM 0 HB2 ASP A 30 -6.616 -12.160 1.486 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -7.391 -12.321 -0.078 1.00 31.35 H new ATOM 468 N ARG A 31 -5.693 -13.114 -2.504 1.00 75.15 N ATOM 469 CA ARG A 31 -5.821 -13.873 -3.771 1.00 74.43 C ATOM 470 C ARG A 31 -5.013 -13.185 -4.898 1.00 30.30 C ATOM 471 O ARG A 31 -5.342 -12.063 -5.301 1.00 23.43 O ATOM 472 CB ARG A 31 -7.318 -13.973 -4.161 1.00 14.52 C ATOM 473 CG ARG A 31 -7.620 -14.867 -5.381 1.00 51.12 C ATOM 474 CD ARG A 31 -9.116 -14.893 -5.734 1.00 11.10 C ATOM 475 NE ARG A 31 -9.398 -15.696 -6.939 1.00 64.35 N ATOM 476 CZ ARG A 31 -10.590 -15.845 -7.492 1.00 55.35 C ATOM 477 NH1 ARG A 31 -11.635 -15.249 -7.009 1.00 14.54 N ATOM 478 NH2 ARG A 31 -10.725 -16.596 -8.527 1.00 20.41 N ATOM 0 H ARG A 31 -5.987 -12.140 -2.583 1.00 75.15 H new ATOM 0 HA ARG A 31 -5.419 -14.876 -3.630 1.00 74.43 H new ATOM 0 HB2 ARG A 31 -7.875 -14.353 -3.305 1.00 14.52 H new ATOM 0 HB3 ARG A 31 -7.692 -12.970 -4.364 1.00 14.52 H new ATOM 0 HG2 ARG A 31 -7.053 -14.508 -6.240 1.00 51.12 H new ATOM 0 HG3 ARG A 31 -7.280 -15.882 -5.177 1.00 51.12 H new ATOM 0 HD2 ARG A 31 -9.678 -15.298 -4.892 1.00 11.10 H new ATOM 0 HD3 ARG A 31 -9.467 -13.873 -5.891 1.00 11.10 H new ATOM 0 HE ARG A 31 -8.612 -16.174 -7.380 1.00 64.35 H new ATOM 0 HH11 ARG A 31 -11.547 -14.651 -6.187 1.00 14.54 H new ATOM 0 HH12 ARG A 31 -12.545 -15.378 -7.451 1.00 14.54 H new ATOM 0 HH21 ARG A 31 -9.914 -17.075 -8.919 1.00 20.41 H new ATOM 0 HH22 ARG A 31 -11.643 -16.713 -8.956 1.00 20.41 H new ATOM 492 N GLU A 32 -3.977 -13.888 -5.415 1.00 13.53 N ATOM 493 CA GLU A 32 -3.025 -13.366 -6.443 1.00 31.22 C ATOM 494 C GLU A 32 -3.726 -12.855 -7.733 1.00 50.31 C ATOM 495 O GLU A 32 -3.231 -11.937 -8.401 1.00 62.32 O ATOM 496 CB GLU A 32 -1.999 -14.476 -6.810 1.00 21.54 C ATOM 497 CG GLU A 32 -2.627 -15.743 -7.444 1.00 43.22 C ATOM 498 CD GLU A 32 -1.601 -16.825 -7.805 1.00 1.15 C ATOM 499 OE1 GLU A 32 -1.015 -16.760 -8.907 1.00 54.12 O ATOM 500 OE2 GLU A 32 -1.366 -17.735 -6.979 1.00 21.15 O ATOM 0 H GLU A 32 -3.771 -14.846 -5.131 1.00 13.53 H new ATOM 0 HA GLU A 32 -2.523 -12.506 -6.000 1.00 31.22 H new ATOM 0 HB2 GLU A 32 -1.267 -14.062 -7.503 1.00 21.54 H new ATOM 0 HB3 GLU A 32 -1.457 -14.765 -5.909 1.00 21.54 H new ATOM 0 HG2 GLU A 32 -3.356 -16.163 -6.750 1.00 43.22 H new ATOM 0 HG3 GLU A 32 -3.172 -15.457 -8.344 1.00 43.22 H new ATOM 507 N ASP A 33 -4.881 -13.464 -8.053 1.00 42.04 N ATOM 508 CA ASP A 33 -5.683 -13.170 -9.263 1.00 2.00 C ATOM 509 C ASP A 33 -6.232 -11.719 -9.306 1.00 60.01 C ATOM 510 O ASP A 33 -6.568 -11.216 -10.386 1.00 42.13 O ATOM 511 CB ASP A 33 -6.855 -14.180 -9.349 1.00 1.43 C ATOM 512 CG ASP A 33 -6.372 -15.637 -9.275 1.00 71.32 C ATOM 513 OD1 ASP A 33 -6.012 -16.211 -10.321 1.00 30.14 O ATOM 514 OD2 ASP A 33 -6.330 -16.203 -8.159 1.00 42.52 O ATOM 0 H ASP A 33 -5.295 -14.190 -7.468 1.00 42.04 H new ATOM 0 HA ASP A 33 -5.018 -13.269 -10.121 1.00 2.00 H new ATOM 0 HB2 ASP A 33 -7.557 -13.990 -8.537 1.00 1.43 H new ATOM 0 HB3 ASP A 33 -7.398 -14.026 -10.282 1.00 1.43 H new ATOM 519 N ALA A 34 -6.316 -11.056 -8.136 1.00 70.02 N ATOM 520 CA ALA A 34 -6.879 -9.695 -8.018 1.00 0.54 C ATOM 521 C ALA A 34 -5.989 -8.774 -7.130 1.00 62.03 C ATOM 522 O ALA A 34 -6.069 -8.840 -5.898 1.00 44.34 O ATOM 523 CB ALA A 34 -8.306 -9.796 -7.462 1.00 25.30 C ATOM 0 H ALA A 34 -5.997 -11.446 -7.249 1.00 70.02 H new ATOM 0 HA ALA A 34 -6.905 -9.236 -9.006 1.00 0.54 H new ATOM 0 HB1 ALA A 34 -8.732 -8.797 -7.370 1.00 25.30 H new ATOM 0 HB2 ALA A 34 -8.919 -10.391 -8.139 1.00 25.30 H new ATOM 0 HB3 ALA A 34 -8.282 -10.271 -6.481 1.00 25.30 H new ATOM 529 N PRO A 35 -5.098 -7.915 -7.750 1.00 43.33 N ATOM 530 CA PRO A 35 -4.261 -6.920 -7.014 1.00 63.31 C ATOM 531 C PRO A 35 -5.061 -5.637 -6.619 1.00 20.35 C ATOM 532 O PRO A 35 -6.165 -5.404 -7.127 1.00 62.15 O ATOM 533 CB PRO A 35 -3.106 -6.602 -8.024 1.00 72.44 C ATOM 534 CG PRO A 35 -3.346 -7.484 -9.228 1.00 4.15 C ATOM 535 CD PRO A 35 -4.813 -7.850 -9.201 1.00 72.41 C ATOM 0 HA PRO A 35 -3.900 -7.306 -6.061 1.00 63.31 H new ATOM 0 HB2 PRO A 35 -3.113 -5.549 -8.305 1.00 72.44 H new ATOM 0 HB3 PRO A 35 -2.132 -6.807 -7.579 1.00 72.44 H new ATOM 0 HG2 PRO A 35 -3.093 -6.961 -10.150 1.00 4.15 H new ATOM 0 HG3 PRO A 35 -2.722 -8.377 -9.187 1.00 4.15 H new ATOM 0 HD2 PRO A 35 -5.427 -7.102 -9.703 1.00 72.41 H new ATOM 0 HD3 PRO A 35 -5.003 -8.803 -9.695 1.00 72.41 H new ATOM 543 N VAL A 36 -4.482 -4.796 -5.726 1.00 55.14 N ATOM 544 CA VAL A 36 -5.205 -3.629 -5.136 1.00 31.33 C ATOM 545 C VAL A 36 -5.308 -2.419 -6.109 1.00 13.24 C ATOM 546 O VAL A 36 -4.599 -2.338 -7.119 1.00 55.40 O ATOM 547 CB VAL A 36 -4.553 -3.130 -3.771 1.00 51.41 C ATOM 548 CG1 VAL A 36 -4.109 -4.309 -2.875 1.00 2.23 C ATOM 549 CG2 VAL A 36 -3.381 -2.140 -4.002 1.00 74.43 C ATOM 0 H VAL A 36 -3.522 -4.899 -5.397 1.00 55.14 H new ATOM 0 HA VAL A 36 -6.209 -4.005 -4.938 1.00 31.33 H new ATOM 0 HB VAL A 36 -5.337 -2.588 -3.243 1.00 51.41 H new ATOM 0 HG11 VAL A 36 -3.670 -3.922 -1.955 1.00 2.23 H new ATOM 0 HG12 VAL A 36 -4.973 -4.927 -2.633 1.00 2.23 H new ATOM 0 HG13 VAL A 36 -3.370 -4.910 -3.405 1.00 2.23 H new ATOM 0 HG21 VAL A 36 -2.972 -1.830 -3.041 1.00 74.43 H new ATOM 0 HG22 VAL A 36 -2.602 -2.628 -4.588 1.00 74.43 H new ATOM 0 HG23 VAL A 36 -3.745 -1.265 -4.540 1.00 74.43 H new ATOM 559 N ARG A 37 -6.232 -1.501 -5.774 1.00 4.41 N ATOM 560 CA ARG A 37 -6.316 -0.139 -6.349 1.00 21.20 C ATOM 561 C ARG A 37 -6.032 0.887 -5.220 1.00 60.14 C ATOM 562 O ARG A 37 -6.709 0.873 -4.186 1.00 74.41 O ATOM 563 CB ARG A 37 -7.720 0.142 -6.983 1.00 5.23 C ATOM 564 CG ARG A 37 -8.044 -0.616 -8.300 1.00 52.13 C ATOM 565 CD ARG A 37 -8.274 -2.133 -8.108 1.00 12.13 C ATOM 566 NE ARG A 37 -9.378 -2.416 -7.171 1.00 11.12 N ATOM 567 CZ ARG A 37 -9.604 -3.569 -6.576 1.00 73.05 C ATOM 568 NH1 ARG A 37 -8.812 -4.582 -6.723 1.00 43.43 N ATOM 569 NH2 ARG A 37 -10.620 -3.680 -5.805 1.00 74.03 N ATOM 0 H ARG A 37 -6.958 -1.685 -5.082 1.00 4.41 H new ATOM 0 HA ARG A 37 -5.579 -0.050 -7.147 1.00 21.20 H new ATOM 0 HB2 ARG A 37 -8.484 -0.108 -6.247 1.00 5.23 H new ATOM 0 HB3 ARG A 37 -7.801 1.212 -7.175 1.00 5.23 H new ATOM 0 HG2 ARG A 37 -8.934 -0.177 -8.751 1.00 52.13 H new ATOM 0 HG3 ARG A 37 -7.225 -0.469 -9.004 1.00 52.13 H new ATOM 0 HD2 ARG A 37 -8.493 -2.590 -9.073 1.00 12.13 H new ATOM 0 HD3 ARG A 37 -7.358 -2.593 -7.737 1.00 12.13 H new ATOM 0 HE ARG A 37 -10.022 -1.652 -6.966 1.00 11.12 H new ATOM 0 HH11 ARG A 37 -7.984 -4.501 -7.314 1.00 43.43 H new ATOM 0 HH12 ARG A 37 -9.015 -5.462 -6.248 1.00 43.43 H new ATOM 0 HH21 ARG A 37 -11.239 -2.883 -5.660 1.00 74.03 H new ATOM 0 HH22 ARG A 37 -10.810 -4.566 -5.336 1.00 74.03 H new ATOM 583 N TRP A 38 -5.035 1.765 -5.425 1.00 34.33 N ATOM 584 CA TRP A 38 -4.617 2.766 -4.410 1.00 63.12 C ATOM 585 C TRP A 38 -5.450 4.073 -4.518 1.00 71.00 C ATOM 586 O TRP A 38 -5.599 4.641 -5.604 1.00 32.22 O ATOM 587 CB TRP A 38 -3.095 3.081 -4.553 1.00 72.33 C ATOM 588 CG TRP A 38 -2.176 1.949 -4.130 1.00 2.40 C ATOM 589 CD1 TRP A 38 -1.619 0.983 -4.923 1.00 43.21 C ATOM 590 CD2 TRP A 38 -1.709 1.685 -2.797 1.00 4.33 C ATOM 591 NE1 TRP A 38 -0.831 0.148 -4.166 1.00 3.01 N ATOM 592 CE2 TRP A 38 -0.873 0.557 -2.860 1.00 51.41 C ATOM 593 CE3 TRP A 38 -1.914 2.304 -1.556 1.00 30.22 C ATOM 594 CZ2 TRP A 38 -0.251 0.027 -1.731 1.00 71.40 C ATOM 595 CZ3 TRP A 38 -1.293 1.781 -0.439 1.00 61.44 C ATOM 596 CH2 TRP A 38 -0.469 0.651 -0.533 1.00 4.32 C ATOM 0 H TRP A 38 -4.496 1.807 -6.290 1.00 34.33 H new ATOM 0 HA TRP A 38 -4.801 2.336 -3.426 1.00 63.12 H new ATOM 0 HB2 TRP A 38 -2.885 3.334 -5.592 1.00 72.33 H new ATOM 0 HB3 TRP A 38 -2.862 3.963 -3.957 1.00 72.33 H new ATOM 0 HD1 TRP A 38 -1.775 0.890 -5.988 1.00 43.21 H new ATOM 0 HE1 TRP A 38 -0.301 -0.648 -4.520 1.00 3.01 H new ATOM 0 HE3 TRP A 38 -2.547 3.175 -1.475 1.00 30.22 H new ATOM 0 HZ2 TRP A 38 0.381 -0.846 -1.799 1.00 71.40 H new ATOM 0 HZ3 TRP A 38 -1.445 2.250 0.522 1.00 61.44 H new ATOM 0 HH2 TRP A 38 0.003 0.265 0.358 1.00 4.32 H new ATOM 607 N TYR A 39 -5.990 4.524 -3.366 1.00 43.21 N ATOM 608 CA TYR A 39 -6.743 5.802 -3.212 1.00 40.02 C ATOM 609 C TYR A 39 -6.120 6.649 -2.072 1.00 70.24 C ATOM 610 O TYR A 39 -5.323 6.133 -1.279 1.00 44.54 O ATOM 611 CB TYR A 39 -8.244 5.532 -2.913 1.00 35.40 C ATOM 612 CG TYR A 39 -9.026 4.852 -4.043 1.00 65.10 C ATOM 613 CD1 TYR A 39 -8.968 3.469 -4.239 1.00 60.14 C ATOM 614 CD2 TYR A 39 -9.833 5.593 -4.913 1.00 42.31 C ATOM 615 CE1 TYR A 39 -9.677 2.859 -5.251 1.00 51.43 C ATOM 616 CE2 TYR A 39 -10.542 4.982 -5.926 1.00 21.33 C ATOM 617 CZ TYR A 39 -10.461 3.618 -6.090 1.00 12.15 C ATOM 618 OH TYR A 39 -11.173 3.008 -7.098 1.00 63.23 O ATOM 0 H TYR A 39 -5.917 4.003 -2.492 1.00 43.21 H new ATOM 0 HA TYR A 39 -6.676 6.353 -4.150 1.00 40.02 H new ATOM 0 HB2 TYR A 39 -8.313 4.910 -2.020 1.00 35.40 H new ATOM 0 HB3 TYR A 39 -8.727 6.481 -2.679 1.00 35.40 H new ATOM 0 HD1 TYR A 39 -8.355 2.867 -3.584 1.00 60.14 H new ATOM 0 HD2 TYR A 39 -9.902 6.664 -4.789 1.00 42.31 H new ATOM 0 HE1 TYR A 39 -9.618 1.789 -5.385 1.00 51.43 H new ATOM 0 HE2 TYR A 39 -11.159 5.572 -6.588 1.00 21.33 H new ATOM 0 HH TYR A 39 -11.676 3.684 -7.599 1.00 63.23 H new ATOM 628 N LYS A 40 -6.496 7.940 -1.998 1.00 62.22 N ATOM 629 CA LYS A 40 -5.899 8.923 -1.059 1.00 30.14 C ATOM 630 C LYS A 40 -6.640 10.286 -1.128 1.00 30.11 C ATOM 631 O LYS A 40 -6.854 10.815 -2.226 1.00 61.20 O ATOM 632 CB LYS A 40 -4.396 9.157 -1.387 1.00 4.21 C ATOM 633 CG LYS A 40 -3.660 10.076 -0.397 1.00 70.22 C ATOM 634 CD LYS A 40 -2.231 10.432 -0.854 1.00 72.14 C ATOM 635 CE LYS A 40 -1.497 11.294 0.178 1.00 73.42 C ATOM 636 NZ LYS A 40 -2.182 12.585 0.435 1.00 10.01 N ATOM 0 H LYS A 40 -7.226 8.338 -2.589 1.00 62.22 H new ATOM 0 HA LYS A 40 -5.997 8.509 -0.055 1.00 30.14 H new ATOM 0 HB2 LYS A 40 -3.889 8.192 -1.413 1.00 4.21 H new ATOM 0 HB3 LYS A 40 -4.318 9.585 -2.386 1.00 4.21 H new ATOM 0 HG2 LYS A 40 -4.233 10.994 -0.267 1.00 70.22 H new ATOM 0 HG3 LYS A 40 -3.613 9.589 0.577 1.00 70.22 H new ATOM 0 HD2 LYS A 40 -1.667 9.516 -1.028 1.00 72.14 H new ATOM 0 HD3 LYS A 40 -2.276 10.964 -1.804 1.00 72.14 H new ATOM 0 HE2 LYS A 40 -1.411 10.740 1.113 1.00 73.42 H new ATOM 0 HE3 LYS A 40 -0.483 11.488 -0.172 1.00 73.42 H new ATOM 0 HZ1 LYS A 40 -1.522 13.369 0.260 1.00 10.01 H new ATOM 0 HZ2 LYS A 40 -3.002 12.675 -0.198 1.00 10.01 H new ATOM 0 HZ3 LYS A 40 -2.503 12.617 1.424 1.00 10.01 H new ATOM 650 N ASP A 41 -7.013 10.838 0.049 1.00 74.21 N ATOM 651 CA ASP A 41 -7.612 12.200 0.188 1.00 61.22 C ATOM 652 C ASP A 41 -8.900 12.421 -0.679 1.00 45.41 C ATOM 653 O ASP A 41 -9.252 13.565 -1.004 1.00 33.42 O ATOM 654 CB ASP A 41 -6.530 13.298 -0.097 1.00 51.03 C ATOM 655 CG ASP A 41 -5.329 13.301 0.883 1.00 11.44 C ATOM 656 OD1 ASP A 41 -5.174 12.364 1.703 1.00 22.13 O ATOM 657 OD2 ASP A 41 -4.512 14.248 0.827 1.00 41.32 O ATOM 0 H ASP A 41 -6.909 10.353 0.940 1.00 74.21 H new ATOM 0 HA ASP A 41 -7.949 12.287 1.221 1.00 61.22 H new ATOM 0 HB2 ASP A 41 -6.153 13.161 -1.110 1.00 51.03 H new ATOM 0 HB3 ASP A 41 -7.009 14.277 -0.065 1.00 51.03 H new ATOM 662 N GLY A 42 -9.608 11.316 -1.011 1.00 13.03 N ATOM 663 CA GLY A 42 -10.895 11.376 -1.747 1.00 50.32 C ATOM 664 C GLY A 42 -10.819 10.926 -3.214 1.00 52.05 C ATOM 665 O GLY A 42 -11.849 10.634 -3.828 1.00 14.11 O ATOM 0 H GLY A 42 -9.309 10.369 -0.780 1.00 13.03 H new ATOM 0 HA2 GLY A 42 -11.624 10.754 -1.228 1.00 50.32 H new ATOM 0 HA3 GLY A 42 -11.269 12.399 -1.714 1.00 50.32 H new ATOM 669 N GLN A 43 -9.601 10.884 -3.784 1.00 41.11 N ATOM 670 CA GLN A 43 -9.358 10.495 -5.208 1.00 14.54 C ATOM 671 C GLN A 43 -8.329 9.342 -5.283 1.00 64.30 C ATOM 672 O GLN A 43 -7.610 9.100 -4.320 1.00 73.41 O ATOM 673 CB GLN A 43 -8.846 11.729 -6.010 1.00 73.41 C ATOM 674 CG GLN A 43 -9.783 12.956 -5.976 1.00 11.12 C ATOM 675 CD GLN A 43 -9.228 14.170 -6.725 1.00 2.33 C ATOM 676 OE1 GLN A 43 -8.518 14.999 -6.158 1.00 41.30 O ATOM 677 NE2 GLN A 43 -9.530 14.284 -8.005 1.00 0.52 N ATOM 0 H GLN A 43 -8.747 11.118 -3.278 1.00 41.11 H new ATOM 0 HA GLN A 43 -10.294 10.149 -5.646 1.00 14.54 H new ATOM 0 HB2 GLN A 43 -7.872 12.022 -5.617 1.00 73.41 H new ATOM 0 HB3 GLN A 43 -8.695 11.433 -7.048 1.00 73.41 H new ATOM 0 HG2 GLN A 43 -10.745 12.681 -6.409 1.00 11.12 H new ATOM 0 HG3 GLN A 43 -9.968 13.233 -4.938 1.00 11.12 H new ATOM 0 HE21 GLN A 43 -10.121 13.584 -8.454 1.00 0.52 H new ATOM 0 HE22 GLN A 43 -9.173 15.072 -8.545 1.00 0.52 H new ATOM 686 N GLU A 44 -8.247 8.623 -6.428 1.00 35.31 N ATOM 687 CA GLU A 44 -7.216 7.565 -6.612 1.00 3.25 C ATOM 688 C GLU A 44 -5.800 8.187 -6.730 1.00 43.14 C ATOM 689 O GLU A 44 -5.638 9.265 -7.321 1.00 4.32 O ATOM 690 CB GLU A 44 -7.551 6.646 -7.821 1.00 43.32 C ATOM 691 CG GLU A 44 -7.572 7.346 -9.192 1.00 24.21 C ATOM 692 CD GLU A 44 -8.007 6.424 -10.345 1.00 63.42 C ATOM 693 OE1 GLU A 44 -7.174 5.614 -10.814 1.00 60.14 O ATOM 694 OE2 GLU A 44 -9.189 6.476 -10.762 1.00 1.10 O ATOM 0 H GLU A 44 -8.869 8.750 -7.227 1.00 35.31 H new ATOM 0 HA GLU A 44 -7.222 6.932 -5.725 1.00 3.25 H new ATOM 0 HB2 GLU A 44 -6.821 5.837 -7.855 1.00 43.32 H new ATOM 0 HB3 GLU A 44 -8.525 6.189 -7.650 1.00 43.32 H new ATOM 0 HG2 GLU A 44 -8.248 8.200 -9.145 1.00 24.21 H new ATOM 0 HG3 GLU A 44 -6.578 7.738 -9.406 1.00 24.21 H new ATOM 701 N VAL A 45 -4.796 7.501 -6.147 1.00 41.45 N ATOM 702 CA VAL A 45 -3.420 8.047 -5.967 1.00 3.00 C ATOM 703 C VAL A 45 -2.744 8.391 -7.313 1.00 44.02 C ATOM 704 O VAL A 45 -2.356 9.543 -7.545 1.00 3.22 O ATOM 705 CB VAL A 45 -2.493 7.052 -5.165 1.00 21.31 C ATOM 706 CG1 VAL A 45 -1.064 7.610 -4.995 1.00 43.31 C ATOM 707 CG2 VAL A 45 -3.091 6.708 -3.790 1.00 52.11 C ATOM 0 H VAL A 45 -4.908 6.554 -5.786 1.00 41.45 H new ATOM 0 HA VAL A 45 -3.541 8.965 -5.393 1.00 3.00 H new ATOM 0 HB VAL A 45 -2.433 6.138 -5.755 1.00 21.31 H new ATOM 0 HG11 VAL A 45 -0.458 6.895 -4.438 1.00 43.31 H new ATOM 0 HG12 VAL A 45 -0.619 7.776 -5.976 1.00 43.31 H new ATOM 0 HG13 VAL A 45 -1.104 8.553 -4.451 1.00 43.31 H new ATOM 0 HG21 VAL A 45 -2.427 6.021 -3.266 1.00 52.11 H new ATOM 0 HG22 VAL A 45 -3.205 7.620 -3.204 1.00 52.11 H new ATOM 0 HG23 VAL A 45 -4.066 6.239 -3.924 1.00 52.11 H new ATOM 717 N GLU A 46 -2.625 7.356 -8.173 1.00 22.33 N ATOM 718 CA GLU A 46 -1.961 7.421 -9.504 1.00 60.40 C ATOM 719 C GLU A 46 -0.430 7.687 -9.421 1.00 41.04 C ATOM 720 O GLU A 46 0.118 8.016 -8.363 1.00 32.14 O ATOM 721 CB GLU A 46 -2.655 8.463 -10.439 1.00 22.20 C ATOM 722 CG GLU A 46 -4.161 8.216 -10.654 1.00 54.34 C ATOM 723 CD GLU A 46 -4.819 9.243 -11.590 1.00 33.25 C ATOM 724 OE1 GLU A 46 -4.846 9.011 -12.823 1.00 61.20 O ATOM 725 OE2 GLU A 46 -5.292 10.293 -11.104 1.00 62.12 O ATOM 0 H GLU A 46 -2.994 6.429 -7.961 1.00 22.33 H new ATOM 0 HA GLU A 46 -2.078 6.429 -9.940 1.00 60.40 H new ATOM 0 HB2 GLU A 46 -2.518 9.459 -10.018 1.00 22.20 H new ATOM 0 HB3 GLU A 46 -2.155 8.455 -11.408 1.00 22.20 H new ATOM 0 HG2 GLU A 46 -4.303 7.217 -11.066 1.00 54.34 H new ATOM 0 HG3 GLU A 46 -4.667 8.238 -9.689 1.00 54.34 H new ATOM 732 N GLU A 47 0.256 7.493 -10.562 1.00 30.43 N ATOM 733 CA GLU A 47 1.701 7.793 -10.706 1.00 64.12 C ATOM 734 C GLU A 47 1.923 9.140 -11.433 1.00 25.12 C ATOM 735 O GLU A 47 1.056 9.599 -12.182 1.00 44.33 O ATOM 736 CB GLU A 47 2.407 6.650 -11.487 1.00 72.44 C ATOM 737 CG GLU A 47 2.265 5.259 -10.844 1.00 10.33 C ATOM 738 CD GLU A 47 3.066 4.168 -11.581 1.00 62.44 C ATOM 739 OE1 GLU A 47 4.271 4.002 -11.288 1.00 70.23 O ATOM 740 OE2 GLU A 47 2.496 3.482 -12.460 1.00 2.13 O ATOM 0 H GLU A 47 -0.171 7.124 -11.412 1.00 30.43 H new ATOM 0 HA GLU A 47 2.131 7.869 -9.707 1.00 64.12 H new ATOM 0 HB2 GLU A 47 2.001 6.613 -12.498 1.00 72.44 H new ATOM 0 HB3 GLU A 47 3.467 6.889 -11.577 1.00 72.44 H new ATOM 0 HG2 GLU A 47 2.599 5.309 -9.807 1.00 10.33 H new ATOM 0 HG3 GLU A 47 1.212 4.979 -10.827 1.00 10.33 H new ATOM 747 N SER A 48 3.103 9.755 -11.220 1.00 44.54 N ATOM 748 CA SER A 48 3.501 11.019 -11.905 1.00 24.33 C ATOM 749 C SER A 48 5.038 11.160 -11.930 1.00 35.03 C ATOM 750 O SER A 48 5.670 11.110 -12.992 1.00 54.34 O ATOM 751 CB SER A 48 2.879 12.273 -11.217 1.00 15.33 C ATOM 752 OG SER A 48 1.459 12.283 -11.250 1.00 13.33 O ATOM 0 H SER A 48 3.808 9.400 -10.575 1.00 44.54 H new ATOM 0 HA SER A 48 3.120 10.964 -12.925 1.00 24.33 H new ATOM 0 HB2 SER A 48 3.212 12.313 -10.180 1.00 15.33 H new ATOM 0 HB3 SER A 48 3.254 13.172 -11.707 1.00 15.33 H new ATOM 0 HG SER A 48 1.136 11.470 -11.692 1.00 13.33 H new ATOM 758 N ASP A 49 5.613 11.298 -10.723 1.00 73.32 N ATOM 759 CA ASP A 49 7.043 11.603 -10.512 1.00 44.25 C ATOM 760 C ASP A 49 7.350 11.534 -9.001 1.00 3.52 C ATOM 761 O ASP A 49 8.212 10.762 -8.562 1.00 32.14 O ATOM 762 CB ASP A 49 7.397 13.008 -11.084 1.00 74.22 C ATOM 763 CG ASP A 49 8.875 13.386 -10.892 1.00 4.33 C ATOM 764 OD1 ASP A 49 9.726 12.919 -11.681 1.00 55.53 O ATOM 765 OD2 ASP A 49 9.193 14.141 -9.948 1.00 21.34 O ATOM 0 H ASP A 49 5.091 11.200 -9.852 1.00 73.32 H new ATOM 0 HA ASP A 49 7.653 10.870 -11.040 1.00 44.25 H new ATOM 0 HB2 ASP A 49 7.158 13.031 -12.147 1.00 74.22 H new ATOM 0 HB3 ASP A 49 6.771 13.758 -10.600 1.00 74.22 H new ATOM 770 N PHE A 50 6.620 12.366 -8.222 1.00 11.03 N ATOM 771 CA PHE A 50 6.653 12.338 -6.742 1.00 53.31 C ATOM 772 C PHE A 50 6.081 11.011 -6.202 1.00 12.54 C ATOM 773 O PHE A 50 6.509 10.531 -5.167 1.00 51.42 O ATOM 774 CB PHE A 50 5.860 13.536 -6.148 1.00 14.32 C ATOM 775 CG PHE A 50 6.463 14.909 -6.457 1.00 72.44 C ATOM 776 CD1 PHE A 50 7.464 15.446 -5.648 1.00 53.31 C ATOM 777 CD2 PHE A 50 6.025 15.663 -7.547 1.00 24.54 C ATOM 778 CE1 PHE A 50 8.005 16.687 -5.917 1.00 42.30 C ATOM 779 CE2 PHE A 50 6.567 16.905 -7.815 1.00 3.11 C ATOM 780 CZ PHE A 50 7.555 17.419 -7.000 1.00 3.51 C ATOM 0 H PHE A 50 5.992 13.075 -8.602 1.00 11.03 H new ATOM 0 HA PHE A 50 7.695 12.420 -6.433 1.00 53.31 H new ATOM 0 HB2 PHE A 50 4.840 13.506 -6.531 1.00 14.32 H new ATOM 0 HB3 PHE A 50 5.798 13.415 -5.067 1.00 14.32 H new ATOM 0 HD1 PHE A 50 7.821 14.883 -4.799 1.00 53.31 H new ATOM 0 HD2 PHE A 50 5.251 15.270 -8.190 1.00 24.54 H new ATOM 0 HE1 PHE A 50 8.781 17.087 -5.281 1.00 42.30 H new ATOM 0 HE2 PHE A 50 6.217 17.474 -8.663 1.00 3.11 H new ATOM 0 HZ PHE A 50 7.976 18.392 -7.208 1.00 3.51 H new ATOM 790 N VAL A 51 5.097 10.433 -6.916 1.00 43.51 N ATOM 791 CA VAL A 51 4.504 9.118 -6.560 1.00 74.42 C ATOM 792 C VAL A 51 4.785 8.066 -7.661 1.00 30.14 C ATOM 793 O VAL A 51 4.635 8.362 -8.856 1.00 22.23 O ATOM 794 CB VAL A 51 2.945 9.203 -6.357 1.00 15.32 C ATOM 795 CG1 VAL A 51 2.405 7.886 -5.746 1.00 42.42 C ATOM 796 CG2 VAL A 51 2.542 10.430 -5.507 1.00 24.21 C ATOM 0 H VAL A 51 4.689 10.855 -7.750 1.00 43.51 H new ATOM 0 HA VAL A 51 4.972 8.821 -5.621 1.00 74.42 H new ATOM 0 HB VAL A 51 2.487 9.336 -7.337 1.00 15.32 H new ATOM 0 HG11 VAL A 51 1.326 7.962 -5.613 1.00 42.42 H new ATOM 0 HG12 VAL A 51 2.630 7.055 -6.415 1.00 42.42 H new ATOM 0 HG13 VAL A 51 2.879 7.712 -4.780 1.00 42.42 H new ATOM 0 HG21 VAL A 51 1.458 10.452 -5.391 1.00 24.21 H new ATOM 0 HG22 VAL A 51 3.011 10.363 -4.525 1.00 24.21 H new ATOM 0 HG23 VAL A 51 2.872 11.342 -6.005 1.00 24.21 H new ATOM 806 N VAL A 52 5.187 6.845 -7.248 1.00 62.13 N ATOM 807 CA VAL A 52 5.272 5.656 -8.133 1.00 43.24 C ATOM 808 C VAL A 52 4.635 4.421 -7.437 1.00 73.33 C ATOM 809 O VAL A 52 4.801 4.220 -6.229 1.00 40.13 O ATOM 810 CB VAL A 52 6.758 5.339 -8.578 1.00 13.32 C ATOM 811 CG1 VAL A 52 7.310 6.426 -9.535 1.00 63.11 C ATOM 812 CG2 VAL A 52 7.696 5.157 -7.358 1.00 22.50 C ATOM 0 H VAL A 52 5.464 6.652 -6.286 1.00 62.13 H new ATOM 0 HA VAL A 52 4.712 5.886 -9.039 1.00 43.24 H new ATOM 0 HB VAL A 52 6.730 4.394 -9.121 1.00 13.32 H new ATOM 0 HG11 VAL A 52 8.332 6.175 -9.820 1.00 63.11 H new ATOM 0 HG12 VAL A 52 6.687 6.475 -10.428 1.00 63.11 H new ATOM 0 HG13 VAL A 52 7.300 7.393 -9.032 1.00 63.11 H new ATOM 0 HG21 VAL A 52 8.706 4.941 -7.705 1.00 22.50 H new ATOM 0 HG22 VAL A 52 7.704 6.072 -6.765 1.00 22.50 H new ATOM 0 HG23 VAL A 52 7.339 4.330 -6.744 1.00 22.50 H new ATOM 822 N LEU A 53 3.891 3.607 -8.209 1.00 73.24 N ATOM 823 CA LEU A 53 3.179 2.407 -7.702 1.00 42.44 C ATOM 824 C LEU A 53 3.849 1.124 -8.250 1.00 42.32 C ATOM 825 O LEU A 53 3.982 0.958 -9.468 1.00 23.44 O ATOM 826 CB LEU A 53 1.671 2.457 -8.116 1.00 22.24 C ATOM 827 CG LEU A 53 0.857 3.696 -7.599 1.00 3.43 C ATOM 828 CD1 LEU A 53 -0.594 3.701 -8.139 1.00 53.22 C ATOM 829 CD2 LEU A 53 0.870 3.768 -6.055 1.00 41.44 C ATOM 0 H LEU A 53 3.763 3.760 -9.209 1.00 73.24 H new ATOM 0 HA LEU A 53 3.237 2.394 -6.614 1.00 42.44 H new ATOM 0 HB2 LEU A 53 1.612 2.437 -9.204 1.00 22.24 H new ATOM 0 HB3 LEU A 53 1.185 1.551 -7.754 1.00 22.24 H new ATOM 0 HG LEU A 53 1.352 4.587 -7.986 1.00 3.43 H new ATOM 0 HD11 LEU A 53 -1.121 4.575 -7.757 1.00 53.22 H new ATOM 0 HD12 LEU A 53 -0.577 3.735 -9.228 1.00 53.22 H new ATOM 0 HD13 LEU A 53 -1.107 2.796 -7.813 1.00 53.22 H new ATOM 0 HD21 LEU A 53 0.298 4.636 -5.726 1.00 41.44 H new ATOM 0 HD22 LEU A 53 0.423 2.863 -5.645 1.00 41.44 H new ATOM 0 HD23 LEU A 53 1.898 3.856 -5.704 1.00 41.44 H new ATOM 841 N GLU A 54 4.285 0.227 -7.347 1.00 0.12 N ATOM 842 CA GLU A 54 4.965 -1.039 -7.714 1.00 43.14 C ATOM 843 C GLU A 54 3.984 -2.241 -7.683 1.00 55.42 C ATOM 844 O GLU A 54 3.154 -2.345 -6.770 1.00 43.14 O ATOM 845 CB GLU A 54 6.155 -1.301 -6.750 1.00 11.42 C ATOM 846 CG GLU A 54 7.176 -0.146 -6.632 1.00 75.11 C ATOM 847 CD GLU A 54 7.817 0.262 -7.974 1.00 43.02 C ATOM 848 OE1 GLU A 54 8.509 -0.580 -8.588 1.00 74.24 O ATOM 849 OE2 GLU A 54 7.632 1.420 -8.422 1.00 71.23 O ATOM 0 H GLU A 54 4.178 0.355 -6.341 1.00 0.12 H new ATOM 0 HA GLU A 54 5.338 -0.936 -8.733 1.00 43.14 H new ATOM 0 HB2 GLU A 54 5.757 -1.515 -5.758 1.00 11.42 H new ATOM 0 HB3 GLU A 54 6.681 -2.196 -7.083 1.00 11.42 H new ATOM 0 HG2 GLU A 54 6.679 0.722 -6.199 1.00 75.11 H new ATOM 0 HG3 GLU A 54 7.964 -0.440 -5.939 1.00 75.11 H new ATOM 856 N ASN A 55 4.098 -3.142 -8.682 1.00 12.40 N ATOM 857 CA ASN A 55 3.295 -4.388 -8.767 1.00 75.33 C ATOM 858 C ASN A 55 4.191 -5.599 -9.131 1.00 43.52 C ATOM 859 O ASN A 55 5.035 -5.515 -10.031 1.00 24.12 O ATOM 860 CB ASN A 55 2.137 -4.221 -9.800 1.00 53.00 C ATOM 861 CG ASN A 55 1.355 -5.521 -10.084 1.00 70.54 C ATOM 862 OD1 ASN A 55 0.412 -5.868 -9.386 1.00 74.31 O ATOM 863 ND2 ASN A 55 1.744 -6.249 -11.114 1.00 32.25 N ATOM 0 H ASN A 55 4.751 -3.028 -9.457 1.00 12.40 H new ATOM 0 HA ASN A 55 2.855 -4.580 -7.788 1.00 75.33 H new ATOM 0 HB2 ASN A 55 1.443 -3.465 -9.433 1.00 53.00 H new ATOM 0 HB3 ASN A 55 2.551 -3.846 -10.736 1.00 53.00 H new ATOM 0 HD21 ASN A 55 1.256 -7.116 -11.339 1.00 32.25 H new ATOM 0 HD22 ASN A 55 2.532 -5.944 -11.685 1.00 32.25 H new ATOM 870 N GLU A 56 3.979 -6.719 -8.424 1.00 51.33 N ATOM 871 CA GLU A 56 4.607 -8.022 -8.723 1.00 63.01 C ATOM 872 C GLU A 56 3.578 -9.133 -8.410 1.00 12.55 C ATOM 873 O GLU A 56 3.614 -9.746 -7.336 1.00 41.22 O ATOM 874 CB GLU A 56 5.924 -8.197 -7.900 1.00 73.54 C ATOM 875 CG GLU A 56 6.691 -9.523 -8.149 1.00 22.14 C ATOM 876 CD GLU A 56 7.860 -9.733 -7.167 1.00 53.12 C ATOM 877 OE1 GLU A 56 7.629 -10.265 -6.058 1.00 74.21 O ATOM 878 OE2 GLU A 56 9.005 -9.345 -7.484 1.00 73.14 O ATOM 0 H GLU A 56 3.358 -6.749 -7.616 1.00 51.33 H new ATOM 0 HA GLU A 56 4.887 -8.080 -9.775 1.00 63.01 H new ATOM 0 HB2 GLU A 56 6.589 -7.364 -8.128 1.00 73.54 H new ATOM 0 HB3 GLU A 56 5.682 -8.130 -6.839 1.00 73.54 H new ATOM 0 HG2 GLU A 56 5.997 -10.360 -8.064 1.00 22.14 H new ATOM 0 HG3 GLU A 56 7.075 -9.529 -9.169 1.00 22.14 H new ATOM 885 N GLY A 57 2.617 -9.329 -9.334 1.00 73.34 N ATOM 886 CA GLY A 57 1.484 -10.246 -9.121 1.00 43.41 C ATOM 887 C GLY A 57 0.592 -9.854 -7.920 1.00 45.34 C ATOM 888 O GLY A 57 -0.143 -8.863 -8.010 1.00 43.04 O ATOM 0 H GLY A 57 2.605 -8.860 -10.240 1.00 73.34 H new ATOM 0 HA2 GLY A 57 0.874 -10.273 -10.024 1.00 43.41 H new ATOM 0 HA3 GLY A 57 1.867 -11.255 -8.965 1.00 43.41 H new ATOM 892 N PRO A 58 0.636 -10.608 -6.769 1.00 44.34 N ATOM 893 CA PRO A 58 -0.080 -10.219 -5.518 1.00 14.50 C ATOM 894 C PRO A 58 0.562 -9.014 -4.767 1.00 14.14 C ATOM 895 O PRO A 58 -0.091 -8.397 -3.911 1.00 32.11 O ATOM 896 CB PRO A 58 -0.003 -11.510 -4.665 1.00 41.52 C ATOM 897 CG PRO A 58 1.253 -12.182 -5.123 1.00 51.24 C ATOM 898 CD PRO A 58 1.335 -11.918 -6.611 1.00 35.02 C ATOM 0 HA PRO A 58 -1.093 -9.874 -5.727 1.00 14.50 H new ATOM 0 HB2 PRO A 58 0.034 -11.281 -3.600 1.00 41.52 H new ATOM 0 HB3 PRO A 58 -0.875 -12.145 -4.825 1.00 41.52 H new ATOM 0 HG2 PRO A 58 2.124 -11.781 -4.605 1.00 51.24 H new ATOM 0 HG3 PRO A 58 1.224 -13.252 -4.915 1.00 51.24 H new ATOM 0 HD2 PRO A 58 2.368 -11.866 -6.953 1.00 35.02 H new ATOM 0 HD3 PRO A 58 0.848 -12.705 -7.186 1.00 35.02 H new ATOM 906 N HIS A 59 1.842 -8.698 -5.081 1.00 52.31 N ATOM 907 CA HIS A 59 2.588 -7.597 -4.420 1.00 62.31 C ATOM 908 C HIS A 59 2.122 -6.215 -4.939 1.00 23.24 C ATOM 909 O HIS A 59 2.061 -5.993 -6.152 1.00 3.02 O ATOM 910 CB HIS A 59 4.121 -7.739 -4.636 1.00 72.42 C ATOM 911 CG HIS A 59 4.749 -8.987 -4.067 1.00 63.44 C ATOM 912 ND1 HIS A 59 5.772 -8.961 -3.144 1.00 74.13 N ATOM 913 CD2 HIS A 59 4.538 -10.299 -4.339 1.00 5.01 C ATOM 914 CE1 HIS A 59 6.160 -10.186 -2.880 1.00 53.33 C ATOM 915 NE2 HIS A 59 5.429 -11.020 -3.590 1.00 31.12 N ATOM 0 H HIS A 59 2.382 -9.192 -5.791 1.00 52.31 H new ATOM 0 HA HIS A 59 2.376 -7.667 -3.353 1.00 62.31 H new ATOM 0 HB2 HIS A 59 4.323 -7.709 -5.707 1.00 72.42 H new ATOM 0 HB3 HIS A 59 4.613 -6.873 -4.194 1.00 72.42 H new ATOM 0 HD2 HIS A 59 3.803 -10.701 -5.021 1.00 5.01 H new ATOM 0 HE1 HIS A 59 6.947 -10.464 -2.195 1.00 53.33 H new ATOM 0 HE2 HIS A 59 5.513 -12.037 -3.583 1.00 31.12 H new ATOM 924 N ARG A 60 1.793 -5.306 -4.005 1.00 43.12 N ATOM 925 CA ARG A 60 1.330 -3.931 -4.307 1.00 30.35 C ATOM 926 C ARG A 60 1.873 -2.942 -3.258 1.00 42.30 C ATOM 927 O ARG A 60 1.466 -2.985 -2.103 1.00 22.01 O ATOM 928 CB ARG A 60 -0.230 -3.890 -4.338 1.00 65.44 C ATOM 929 CG ARG A 60 -0.861 -4.368 -5.656 1.00 71.00 C ATOM 930 CD ARG A 60 -0.620 -3.370 -6.804 1.00 42.34 C ATOM 931 NE ARG A 60 -1.142 -3.880 -8.074 1.00 1.32 N ATOM 932 CZ ARG A 60 -1.784 -3.183 -8.986 1.00 43.43 C ATOM 933 NH1 ARG A 60 -2.174 -1.966 -8.757 1.00 64.14 N ATOM 934 NH2 ARG A 60 -2.064 -3.737 -10.113 1.00 12.32 N ATOM 0 H ARG A 60 1.840 -5.503 -3.005 1.00 43.12 H new ATOM 0 HA ARG A 60 1.709 -3.637 -5.286 1.00 30.35 H new ATOM 0 HB2 ARG A 60 -0.612 -4.506 -3.524 1.00 65.44 H new ATOM 0 HB3 ARG A 60 -0.557 -2.868 -4.145 1.00 65.44 H new ATOM 0 HG2 ARG A 60 -0.446 -5.339 -5.926 1.00 71.00 H new ATOM 0 HG3 ARG A 60 -1.933 -4.508 -5.516 1.00 71.00 H new ATOM 0 HD2 ARG A 60 -1.098 -2.419 -6.568 1.00 42.34 H new ATOM 0 HD3 ARG A 60 0.448 -3.175 -6.900 1.00 42.34 H new ATOM 0 HE ARG A 60 -0.993 -4.870 -8.270 1.00 1.32 H new ATOM 0 HH11 ARG A 60 -1.984 -1.531 -7.854 1.00 64.14 H new ATOM 0 HH12 ARG A 60 -2.670 -1.445 -9.480 1.00 64.14 H new ATOM 0 HH21 ARG A 60 -1.789 -4.703 -10.289 1.00 12.32 H new ATOM 0 HH22 ARG A 60 -2.561 -3.210 -10.831 1.00 12.32 H new ATOM 948 N ARG A 61 2.782 -2.034 -3.663 1.00 1.15 N ATOM 949 CA ARG A 61 3.410 -1.079 -2.715 1.00 0.44 C ATOM 950 C ARG A 61 3.603 0.338 -3.308 1.00 12.05 C ATOM 951 O ARG A 61 4.208 0.522 -4.366 1.00 5.11 O ATOM 952 CB ARG A 61 4.736 -1.670 -2.152 1.00 22.13 C ATOM 953 CG ARG A 61 5.690 -2.288 -3.193 1.00 24.24 C ATOM 954 CD ARG A 61 6.743 -3.201 -2.533 1.00 71.21 C ATOM 955 NE ARG A 61 6.102 -4.312 -1.787 1.00 34.31 N ATOM 956 CZ ARG A 61 6.732 -5.230 -1.088 1.00 63.31 C ATOM 957 NH1 ARG A 61 8.026 -5.256 -1.002 1.00 23.45 N ATOM 958 NH2 ARG A 61 6.049 -6.130 -0.470 1.00 60.33 N ATOM 0 H ARG A 61 3.098 -1.938 -4.628 1.00 1.15 H new ATOM 0 HA ARG A 61 2.715 -0.944 -1.886 1.00 0.44 H new ATOM 0 HB2 ARG A 61 5.268 -0.879 -1.623 1.00 22.13 H new ATOM 0 HB3 ARG A 61 4.487 -2.434 -1.416 1.00 22.13 H new ATOM 0 HG2 ARG A 61 5.114 -2.863 -3.918 1.00 24.24 H new ATOM 0 HG3 ARG A 61 6.192 -1.492 -3.743 1.00 24.24 H new ATOM 0 HD2 ARG A 61 7.405 -3.608 -3.297 1.00 71.21 H new ATOM 0 HD3 ARG A 61 7.362 -2.614 -1.855 1.00 71.21 H new ATOM 0 HE ARG A 61 5.084 -4.368 -1.819 1.00 34.31 H new ATOM 0 HH11 ARG A 61 8.583 -4.551 -1.485 1.00 23.45 H new ATOM 0 HH12 ARG A 61 8.486 -5.981 -0.452 1.00 23.45 H new ATOM 0 HH21 ARG A 61 5.031 -6.125 -0.526 1.00 60.33 H new ATOM 0 HH22 ARG A 61 6.526 -6.847 0.076 1.00 60.33 H new ATOM 972 N LEU A 62 3.049 1.323 -2.584 1.00 51.02 N ATOM 973 CA LEU A 62 3.118 2.756 -2.912 1.00 13.45 C ATOM 974 C LEU A 62 4.467 3.341 -2.437 1.00 45.21 C ATOM 975 O LEU A 62 4.692 3.503 -1.236 1.00 52.14 O ATOM 976 CB LEU A 62 1.895 3.464 -2.234 1.00 45.25 C ATOM 977 CG LEU A 62 1.559 4.940 -2.658 1.00 41.15 C ATOM 978 CD1 LEU A 62 0.093 5.281 -2.320 1.00 72.54 C ATOM 979 CD2 LEU A 62 2.500 5.982 -2.010 1.00 34.35 C ATOM 0 H LEU A 62 2.525 1.139 -1.729 1.00 51.02 H new ATOM 0 HA LEU A 62 3.067 2.916 -3.989 1.00 13.45 H new ATOM 0 HB2 LEU A 62 1.011 2.855 -2.423 1.00 45.25 H new ATOM 0 HB3 LEU A 62 2.062 3.457 -1.157 1.00 45.25 H new ATOM 0 HG LEU A 62 1.711 4.992 -3.736 1.00 41.15 H new ATOM 0 HD11 LEU A 62 -0.121 6.307 -2.621 1.00 72.54 H new ATOM 0 HD12 LEU A 62 -0.571 4.601 -2.853 1.00 72.54 H new ATOM 0 HD13 LEU A 62 -0.067 5.177 -1.247 1.00 72.54 H new ATOM 0 HD21 LEU A 62 2.218 6.982 -2.341 1.00 34.35 H new ATOM 0 HD22 LEU A 62 2.417 5.922 -0.925 1.00 34.35 H new ATOM 0 HD23 LEU A 62 3.529 5.778 -2.307 1.00 34.35 H new ATOM 991 N VAL A 63 5.369 3.635 -3.382 1.00 74.53 N ATOM 992 CA VAL A 63 6.670 4.265 -3.078 1.00 63.20 C ATOM 993 C VAL A 63 6.585 5.800 -3.275 1.00 45.34 C ATOM 994 O VAL A 63 6.064 6.282 -4.295 1.00 55.42 O ATOM 995 CB VAL A 63 7.814 3.657 -3.969 1.00 60.31 C ATOM 996 CG1 VAL A 63 9.194 4.285 -3.645 1.00 5.33 C ATOM 997 CG2 VAL A 63 7.858 2.114 -3.837 1.00 54.32 C ATOM 0 H VAL A 63 5.224 3.446 -4.374 1.00 74.53 H new ATOM 0 HA VAL A 63 6.911 4.060 -2.035 1.00 63.20 H new ATOM 0 HB VAL A 63 7.584 3.903 -5.006 1.00 60.31 H new ATOM 0 HG11 VAL A 63 9.956 3.837 -4.283 1.00 5.33 H new ATOM 0 HG12 VAL A 63 9.156 5.359 -3.825 1.00 5.33 H new ATOM 0 HG13 VAL A 63 9.441 4.101 -2.600 1.00 5.33 H new ATOM 0 HG21 VAL A 63 8.658 1.718 -4.463 1.00 54.32 H new ATOM 0 HG22 VAL A 63 8.043 1.843 -2.798 1.00 54.32 H new ATOM 0 HG23 VAL A 63 6.905 1.694 -4.157 1.00 54.32 H new ATOM 1007 N LEU A 64 7.108 6.557 -2.297 1.00 60.32 N ATOM 1008 CA LEU A 64 7.061 8.033 -2.290 1.00 24.33 C ATOM 1009 C LEU A 64 8.509 8.601 -2.126 1.00 25.40 C ATOM 1010 O LEU A 64 8.957 8.788 -0.996 1.00 53.23 O ATOM 1011 CB LEU A 64 6.106 8.530 -1.137 1.00 61.14 C ATOM 1012 CG LEU A 64 5.210 9.780 -1.442 1.00 12.32 C ATOM 1013 CD1 LEU A 64 6.001 10.908 -2.119 1.00 14.54 C ATOM 1014 CD2 LEU A 64 3.965 9.397 -2.265 1.00 3.02 C ATOM 0 H LEU A 64 7.579 6.162 -1.483 1.00 60.32 H new ATOM 0 HA LEU A 64 6.660 8.399 -3.235 1.00 24.33 H new ATOM 0 HB2 LEU A 64 5.451 7.704 -0.860 1.00 61.14 H new ATOM 0 HB3 LEU A 64 6.719 8.757 -0.265 1.00 61.14 H new ATOM 0 HG LEU A 64 4.867 10.163 -0.481 1.00 12.32 H new ATOM 0 HD11 LEU A 64 5.339 11.752 -2.311 1.00 14.54 H new ATOM 0 HD12 LEU A 64 6.814 11.225 -1.466 1.00 14.54 H new ATOM 0 HD13 LEU A 64 6.413 10.548 -3.062 1.00 14.54 H new ATOM 0 HD21 LEU A 64 3.368 10.288 -2.457 1.00 3.02 H new ATOM 0 HD22 LEU A 64 4.276 8.957 -3.213 1.00 3.02 H new ATOM 0 HD23 LEU A 64 3.369 8.674 -1.708 1.00 3.02 H new ATOM 1026 N PRO A 65 9.261 8.851 -3.257 1.00 14.35 N ATOM 1027 CA PRO A 65 10.653 9.417 -3.225 1.00 12.50 C ATOM 1028 C PRO A 65 10.783 10.797 -2.506 1.00 33.05 C ATOM 1029 O PRO A 65 11.705 10.995 -1.704 1.00 44.34 O ATOM 1030 CB PRO A 65 11.020 9.531 -4.736 1.00 22.42 C ATOM 1031 CG PRO A 65 9.698 9.517 -5.441 1.00 23.43 C ATOM 1032 CD PRO A 65 8.850 8.551 -4.656 1.00 73.55 C ATOM 0 HA PRO A 65 11.320 8.780 -2.643 1.00 12.50 H new ATOM 0 HB2 PRO A 65 11.571 10.448 -4.943 1.00 22.42 H new ATOM 0 HB3 PRO A 65 11.650 8.701 -5.056 1.00 22.42 H new ATOM 0 HG2 PRO A 65 9.250 10.511 -5.460 1.00 23.43 H new ATOM 0 HG3 PRO A 65 9.806 9.196 -6.477 1.00 23.43 H new ATOM 0 HD2 PRO A 65 7.785 8.720 -4.814 1.00 73.55 H new ATOM 0 HD3 PRO A 65 9.052 7.515 -4.928 1.00 73.55 H new ATOM 1040 N ALA A 66 9.887 11.755 -2.822 1.00 15.24 N ATOM 1041 CA ALA A 66 9.872 13.096 -2.183 1.00 53.12 C ATOM 1042 C ALA A 66 8.539 13.319 -1.437 1.00 53.41 C ATOM 1043 O ALA A 66 7.588 13.893 -1.991 1.00 55.10 O ATOM 1044 CB ALA A 66 10.132 14.196 -3.231 1.00 30.32 C ATOM 0 H ALA A 66 9.156 11.627 -3.522 1.00 15.24 H new ATOM 0 HA ALA A 66 10.675 13.148 -1.448 1.00 53.12 H new ATOM 0 HB1 ALA A 66 10.118 15.172 -2.746 1.00 30.32 H new ATOM 0 HB2 ALA A 66 11.106 14.035 -3.693 1.00 30.32 H new ATOM 0 HB3 ALA A 66 9.357 14.160 -3.996 1.00 30.32 H new ATOM 1050 N THR A 67 8.462 12.813 -0.187 1.00 2.40 N ATOM 1051 CA THR A 67 7.227 12.860 0.634 1.00 21.34 C ATOM 1052 C THR A 67 6.992 14.275 1.213 1.00 63.34 C ATOM 1053 O THR A 67 7.531 14.640 2.263 1.00 3.34 O ATOM 1054 CB THR A 67 7.242 11.773 1.774 1.00 42.14 C ATOM 1055 OG1 THR A 67 7.552 10.481 1.221 1.00 65.31 O ATOM 1056 CG2 THR A 67 5.893 11.668 2.514 1.00 3.42 C ATOM 0 H THR A 67 9.248 12.362 0.281 1.00 2.40 H new ATOM 0 HA THR A 67 6.391 12.626 -0.026 1.00 21.34 H new ATOM 0 HB THR A 67 8.003 12.087 2.489 1.00 42.14 H new ATOM 0 HG1 THR A 67 8.509 10.435 1.014 1.00 65.31 H new ATOM 0 HG21 THR A 67 5.961 10.904 3.288 1.00 3.42 H new ATOM 0 HG22 THR A 67 5.653 12.628 2.971 1.00 3.42 H new ATOM 0 HG23 THR A 67 5.110 11.398 1.806 1.00 3.42 H new ATOM 1064 N GLN A 68 6.230 15.079 0.459 1.00 70.31 N ATOM 1065 CA GLN A 68 5.830 16.454 0.841 1.00 11.25 C ATOM 1066 C GLN A 68 4.619 16.399 1.820 1.00 63.31 C ATOM 1067 O GLN A 68 3.926 15.381 1.849 1.00 3.40 O ATOM 1068 CB GLN A 68 5.452 17.230 -0.454 1.00 0.53 C ATOM 1069 CG GLN A 68 6.512 17.183 -1.577 1.00 15.45 C ATOM 1070 CD GLN A 68 6.009 17.766 -2.903 1.00 54.32 C ATOM 1071 OE1 GLN A 68 6.178 18.945 -3.195 1.00 75.31 O ATOM 1072 NE2 GLN A 68 5.340 16.948 -3.695 1.00 22.33 N ATOM 0 H GLN A 68 5.865 14.794 -0.450 1.00 70.31 H new ATOM 0 HA GLN A 68 6.651 16.962 1.346 1.00 11.25 H new ATOM 0 HB2 GLN A 68 4.516 16.826 -0.841 1.00 0.53 H new ATOM 0 HB3 GLN A 68 5.266 18.272 -0.194 1.00 0.53 H new ATOM 0 HG2 GLN A 68 7.396 17.734 -1.257 1.00 15.45 H new ATOM 0 HG3 GLN A 68 6.820 16.149 -1.735 1.00 15.45 H new ATOM 0 HE21 GLN A 68 5.213 15.971 -3.430 1.00 22.33 H new ATOM 0 HE22 GLN A 68 4.950 17.293 -4.572 1.00 22.33 H new ATOM 1081 N PRO A 69 4.316 17.482 2.622 1.00 21.54 N ATOM 1082 CA PRO A 69 3.129 17.517 3.542 1.00 3.14 C ATOM 1083 C PRO A 69 1.768 17.163 2.849 1.00 31.45 C ATOM 1084 O PRO A 69 0.840 16.691 3.514 1.00 63.22 O ATOM 1085 CB PRO A 69 3.137 18.973 4.098 1.00 43.52 C ATOM 1086 CG PRO A 69 4.065 19.734 3.192 1.00 64.50 C ATOM 1087 CD PRO A 69 5.103 18.737 2.742 1.00 72.41 C ATOM 0 HA PRO A 69 3.210 16.755 4.318 1.00 3.14 H new ATOM 0 HB2 PRO A 69 2.136 19.404 4.089 1.00 43.52 H new ATOM 0 HB3 PRO A 69 3.485 18.999 5.131 1.00 43.52 H new ATOM 0 HG2 PRO A 69 3.527 20.150 2.340 1.00 64.50 H new ATOM 0 HG3 PRO A 69 4.527 20.570 3.717 1.00 64.50 H new ATOM 0 HD2 PRO A 69 5.556 19.024 1.793 1.00 72.41 H new ATOM 0 HD3 PRO A 69 5.913 18.640 3.465 1.00 72.41 H new ATOM 1095 N SER A 70 1.671 17.383 1.518 1.00 51.43 N ATOM 1096 CA SER A 70 0.490 16.968 0.713 1.00 63.42 C ATOM 1097 C SER A 70 0.474 15.435 0.455 1.00 74.13 C ATOM 1098 O SER A 70 -0.594 14.818 0.441 1.00 30.45 O ATOM 1099 CB SER A 70 0.458 17.738 -0.628 1.00 65.24 C ATOM 1100 OG SER A 70 0.309 19.142 -0.418 1.00 0.03 O ATOM 0 H SER A 70 2.398 17.847 0.973 1.00 51.43 H new ATOM 0 HA SER A 70 -0.402 17.213 1.289 1.00 63.42 H new ATOM 0 HB2 SER A 70 1.377 17.547 -1.181 1.00 65.24 H new ATOM 0 HB3 SER A 70 -0.365 17.371 -1.241 1.00 65.24 H new ATOM 0 HG SER A 70 0.294 19.602 -1.283 1.00 0.03 H new ATOM 1106 N ASP A 71 1.667 14.830 0.263 1.00 32.40 N ATOM 1107 CA ASP A 71 1.824 13.364 0.034 1.00 13.52 C ATOM 1108 C ASP A 71 1.646 12.522 1.333 1.00 65.25 C ATOM 1109 O ASP A 71 1.703 11.288 1.285 1.00 41.30 O ATOM 1110 CB ASP A 71 3.205 13.076 -0.605 1.00 13.24 C ATOM 1111 CG ASP A 71 3.364 13.713 -1.997 1.00 3.32 C ATOM 1112 OD1 ASP A 71 3.752 14.896 -2.074 1.00 10.11 O ATOM 1113 OD2 ASP A 71 3.069 13.047 -3.015 1.00 45.42 O ATOM 0 H ASP A 71 2.552 15.338 0.261 1.00 32.40 H new ATOM 0 HA ASP A 71 1.028 13.061 -0.646 1.00 13.52 H new ATOM 0 HB2 ASP A 71 3.989 13.451 0.052 1.00 13.24 H new ATOM 0 HB3 ASP A 71 3.345 11.998 -0.686 1.00 13.24 H new ATOM 1118 N GLY A 72 1.440 13.191 2.481 1.00 50.13 N ATOM 1119 CA GLY A 72 1.069 12.514 3.739 1.00 3.32 C ATOM 1120 C GLY A 72 -0.448 12.419 3.941 1.00 1.20 C ATOM 1121 O GLY A 72 -1.223 12.889 3.103 1.00 54.22 O ATOM 0 H GLY A 72 1.524 14.204 2.565 1.00 50.13 H new ATOM 0 HA2 GLY A 72 1.495 11.511 3.745 1.00 3.32 H new ATOM 0 HA3 GLY A 72 1.509 13.052 4.579 1.00 3.32 H new ATOM 1125 N GLY A 73 -0.868 11.806 5.057 1.00 4.15 N ATOM 1126 CA GLY A 73 -2.292 11.690 5.410 1.00 41.40 C ATOM 1127 C GLY A 73 -2.848 10.270 5.253 1.00 34.11 C ATOM 1128 O GLY A 73 -2.130 9.295 5.472 1.00 11.31 O ATOM 0 H GLY A 73 -0.237 11.380 5.736 1.00 4.15 H new ATOM 0 HA2 GLY A 73 -2.430 12.013 6.442 1.00 41.40 H new ATOM 0 HA3 GLY A 73 -2.870 12.369 4.783 1.00 41.40 H new ATOM 1132 N GLU A 74 -4.132 10.161 4.861 1.00 44.20 N ATOM 1133 CA GLU A 74 -4.881 8.876 4.823 1.00 64.41 C ATOM 1134 C GLU A 74 -4.853 8.224 3.412 1.00 4.34 C ATOM 1135 O GLU A 74 -5.169 8.875 2.410 1.00 74.54 O ATOM 1136 CB GLU A 74 -6.348 9.125 5.267 1.00 21.53 C ATOM 1137 CG GLU A 74 -6.488 9.734 6.680 1.00 32.52 C ATOM 1138 CD GLU A 74 -7.951 10.032 7.062 1.00 71.31 C ATOM 1139 OE1 GLU A 74 -8.638 9.120 7.579 1.00 61.25 O ATOM 1140 OE2 GLU A 74 -8.416 11.175 6.843 1.00 72.34 O ATOM 0 H GLU A 74 -4.687 10.962 4.559 1.00 44.20 H new ATOM 0 HA GLU A 74 -4.395 8.181 5.508 1.00 64.41 H new ATOM 0 HB2 GLU A 74 -6.825 9.791 4.548 1.00 21.53 H new ATOM 0 HB3 GLU A 74 -6.891 8.180 5.236 1.00 21.53 H new ATOM 0 HG2 GLU A 74 -6.060 9.047 7.410 1.00 32.52 H new ATOM 0 HG3 GLU A 74 -5.909 10.656 6.732 1.00 32.52 H new ATOM 1147 N PHE A 75 -4.478 6.926 3.361 1.00 42.32 N ATOM 1148 CA PHE A 75 -4.417 6.122 2.113 1.00 41.22 C ATOM 1149 C PHE A 75 -5.419 4.940 2.187 1.00 52.12 C ATOM 1150 O PHE A 75 -5.409 4.165 3.156 1.00 4.41 O ATOM 1151 CB PHE A 75 -2.986 5.558 1.882 1.00 34.03 C ATOM 1152 CG PHE A 75 -1.870 6.602 1.796 1.00 43.14 C ATOM 1153 CD1 PHE A 75 -1.428 7.279 2.934 1.00 75.34 C ATOM 1154 CD2 PHE A 75 -1.241 6.887 0.584 1.00 54.35 C ATOM 1155 CE1 PHE A 75 -0.405 8.203 2.861 1.00 32.34 C ATOM 1156 CE2 PHE A 75 -0.212 7.805 0.517 1.00 2.14 C ATOM 1157 CZ PHE A 75 0.205 8.464 1.654 1.00 11.52 C ATOM 0 H PHE A 75 -4.206 6.399 4.191 1.00 42.32 H new ATOM 0 HA PHE A 75 -4.679 6.778 1.282 1.00 41.22 H new ATOM 0 HB2 PHE A 75 -2.752 4.868 2.692 1.00 34.03 H new ATOM 0 HB3 PHE A 75 -2.988 4.978 0.959 1.00 34.03 H new ATOM 0 HD1 PHE A 75 -1.894 7.077 3.887 1.00 75.34 H new ATOM 0 HD2 PHE A 75 -1.564 6.382 -0.315 1.00 54.35 H new ATOM 0 HE1 PHE A 75 -0.083 8.722 3.752 1.00 32.34 H new ATOM 0 HE2 PHE A 75 0.268 8.008 -0.429 1.00 2.14 H new ATOM 0 HZ PHE A 75 1.008 9.184 1.598 1.00 11.52 H new ATOM 1167 N GLN A 76 -6.261 4.810 1.149 1.00 52.32 N ATOM 1168 CA GLN A 76 -7.283 3.746 1.030 1.00 23.30 C ATOM 1169 C GLN A 76 -6.862 2.698 -0.046 1.00 11.22 C ATOM 1170 O GLN A 76 -7.004 2.930 -1.245 1.00 72.04 O ATOM 1171 CB GLN A 76 -8.647 4.415 0.668 1.00 64.24 C ATOM 1172 CG GLN A 76 -9.829 3.454 0.395 1.00 21.44 C ATOM 1173 CD GLN A 76 -10.405 2.762 1.635 1.00 42.15 C ATOM 1174 OE1 GLN A 76 -9.726 2.514 2.627 1.00 41.23 O ATOM 1175 NE2 GLN A 76 -11.671 2.412 1.574 1.00 73.20 N ATOM 0 H GLN A 76 -6.254 5.449 0.354 1.00 52.32 H new ATOM 0 HA GLN A 76 -7.381 3.212 1.975 1.00 23.30 H new ATOM 0 HB2 GLN A 76 -8.929 5.081 1.483 1.00 64.24 H new ATOM 0 HB3 GLN A 76 -8.500 5.037 -0.215 1.00 64.24 H new ATOM 0 HG2 GLN A 76 -10.627 4.014 -0.093 1.00 21.44 H new ATOM 0 HG3 GLN A 76 -9.500 2.689 -0.309 1.00 21.44 H new ATOM 0 HE21 GLN A 76 -12.220 2.626 0.741 1.00 73.20 H new ATOM 0 HE22 GLN A 76 -12.104 1.926 2.359 1.00 73.20 H new ATOM 1184 N CYS A 77 -6.333 1.551 0.404 1.00 32.33 N ATOM 1185 CA CYS A 77 -5.851 0.458 -0.488 1.00 41.31 C ATOM 1186 C CYS A 77 -6.922 -0.655 -0.619 1.00 53.40 C ATOM 1187 O CYS A 77 -7.112 -1.432 0.302 1.00 12.11 O ATOM 1188 CB CYS A 77 -4.538 -0.114 0.086 1.00 54.44 C ATOM 1189 SG CYS A 77 -3.898 -1.553 -0.789 1.00 72.35 S ATOM 0 H CYS A 77 -6.222 1.344 1.397 1.00 32.33 H new ATOM 0 HA CYS A 77 -5.667 0.858 -1.485 1.00 41.31 H new ATOM 0 HB2 CYS A 77 -3.780 0.669 0.073 1.00 54.44 H new ATOM 0 HB3 CYS A 77 -4.700 -0.383 1.130 1.00 54.44 H new ATOM 0 HG CYS A 77 -3.014 -2.153 -0.049 1.00 72.35 H new ATOM 1195 N VAL A 78 -7.622 -0.726 -1.769 1.00 13.14 N ATOM 1196 CA VAL A 78 -8.850 -1.569 -1.925 1.00 61.44 C ATOM 1197 C VAL A 78 -8.600 -2.848 -2.764 1.00 43.25 C ATOM 1198 O VAL A 78 -8.077 -2.759 -3.872 1.00 70.44 O ATOM 1199 CB VAL A 78 -10.012 -0.741 -2.606 1.00 31.14 C ATOM 1200 CG1 VAL A 78 -11.379 -1.455 -2.476 1.00 25.21 C ATOM 1201 CG2 VAL A 78 -10.082 0.695 -2.045 1.00 4.31 C ATOM 0 H VAL A 78 -7.366 -0.212 -2.612 1.00 13.14 H new ATOM 0 HA VAL A 78 -9.136 -1.872 -0.918 1.00 61.44 H new ATOM 0 HB VAL A 78 -9.778 -0.675 -3.668 1.00 31.14 H new ATOM 0 HG11 VAL A 78 -12.151 -0.854 -2.957 1.00 25.21 H new ATOM 0 HG12 VAL A 78 -11.327 -2.431 -2.958 1.00 25.21 H new ATOM 0 HG13 VAL A 78 -11.623 -1.584 -1.422 1.00 25.21 H new ATOM 0 HG21 VAL A 78 -10.891 1.238 -2.534 1.00 4.31 H new ATOM 0 HG22 VAL A 78 -10.267 0.658 -0.971 1.00 4.31 H new ATOM 0 HG23 VAL A 78 -9.137 1.205 -2.233 1.00 4.31 H new ATOM 1211 N ALA A 79 -9.024 -4.027 -2.246 1.00 44.35 N ATOM 1212 CA ALA A 79 -9.000 -5.302 -3.008 1.00 14.42 C ATOM 1213 C ALA A 79 -10.004 -6.335 -2.436 1.00 62.22 C ATOM 1214 O ALA A 79 -9.804 -6.866 -1.332 1.00 25.35 O ATOM 1215 CB ALA A 79 -7.588 -5.911 -3.058 1.00 45.10 C ATOM 0 H ALA A 79 -9.389 -4.122 -1.298 1.00 44.35 H new ATOM 0 HA ALA A 79 -9.304 -5.058 -4.026 1.00 14.42 H new ATOM 0 HB1 ALA A 79 -7.613 -6.842 -3.624 1.00 45.10 H new ATOM 0 HB2 ALA A 79 -6.907 -5.211 -3.541 1.00 45.10 H new ATOM 0 HB3 ALA A 79 -7.242 -6.112 -2.044 1.00 45.10 H new ATOM 1221 N GLY A 80 -11.093 -6.577 -3.194 1.00 22.22 N ATOM 1222 CA GLY A 80 -12.082 -7.623 -2.885 1.00 12.33 C ATOM 1223 C GLY A 80 -12.844 -7.396 -1.582 1.00 3.13 C ATOM 1224 O GLY A 80 -12.620 -8.116 -0.598 1.00 72.01 O ATOM 0 H GLY A 80 -11.309 -6.049 -4.040 1.00 22.22 H new ATOM 0 HA2 GLY A 80 -12.797 -7.685 -3.705 1.00 12.33 H new ATOM 0 HA3 GLY A 80 -11.573 -8.585 -2.832 1.00 12.33 H new ATOM 1228 N ASP A 81 -13.689 -6.340 -1.569 1.00 53.33 N ATOM 1229 CA ASP A 81 -14.533 -5.939 -0.402 1.00 24.11 C ATOM 1230 C ASP A 81 -13.689 -5.377 0.799 1.00 3.51 C ATOM 1231 O ASP A 81 -14.236 -4.795 1.745 1.00 41.42 O ATOM 1232 CB ASP A 81 -15.454 -7.126 0.035 1.00 11.32 C ATOM 1233 CG ASP A 81 -16.467 -6.766 1.133 1.00 2.24 C ATOM 1234 OD1 ASP A 81 -17.436 -6.030 0.838 1.00 52.45 O ATOM 1235 OD2 ASP A 81 -16.312 -7.226 2.289 1.00 22.43 O ATOM 0 H ASP A 81 -13.811 -5.729 -2.376 1.00 53.33 H new ATOM 0 HA ASP A 81 -15.166 -5.113 -0.726 1.00 24.11 H new ATOM 0 HB2 ASP A 81 -15.995 -7.491 -0.838 1.00 11.32 H new ATOM 0 HB3 ASP A 81 -14.828 -7.946 0.388 1.00 11.32 H new ATOM 1240 N GLU A 82 -12.356 -5.524 0.737 1.00 13.50 N ATOM 1241 CA GLU A 82 -11.434 -5.123 1.817 1.00 4.31 C ATOM 1242 C GLU A 82 -10.713 -3.806 1.514 1.00 21.43 C ATOM 1243 O GLU A 82 -10.594 -3.377 0.362 1.00 75.00 O ATOM 1244 CB GLU A 82 -10.385 -6.241 2.086 1.00 34.14 C ATOM 1245 CG GLU A 82 -10.914 -7.441 2.891 1.00 2.01 C ATOM 1246 CD GLU A 82 -11.400 -7.085 4.307 1.00 52.41 C ATOM 1247 OE1 GLU A 82 -10.839 -6.156 4.936 1.00 34.40 O ATOM 1248 OE2 GLU A 82 -12.318 -7.757 4.814 1.00 22.20 O ATOM 0 H GLU A 82 -11.882 -5.928 -0.071 1.00 13.50 H new ATOM 0 HA GLU A 82 -12.045 -4.970 2.707 1.00 4.31 H new ATOM 0 HB2 GLU A 82 -10.006 -6.602 1.130 1.00 34.14 H new ATOM 0 HB3 GLU A 82 -9.540 -5.806 2.621 1.00 34.14 H new ATOM 0 HG2 GLU A 82 -11.736 -7.899 2.341 1.00 2.01 H new ATOM 0 HG3 GLU A 82 -10.125 -8.189 2.967 1.00 2.01 H new ATOM 1255 N CYS A 83 -10.204 -3.202 2.590 1.00 33.24 N ATOM 1256 CA CYS A 83 -9.425 -1.965 2.548 1.00 5.13 C ATOM 1257 C CYS A 83 -8.302 -2.020 3.603 1.00 71.03 C ATOM 1258 O CYS A 83 -8.549 -2.329 4.774 1.00 1.33 O ATOM 1259 CB CYS A 83 -10.356 -0.759 2.786 1.00 64.15 C ATOM 1260 SG CYS A 83 -11.341 -0.863 4.301 1.00 2.53 S ATOM 0 H CYS A 83 -10.325 -3.568 3.534 1.00 33.24 H new ATOM 0 HA CYS A 83 -8.963 -1.853 1.567 1.00 5.13 H new ATOM 0 HB2 CYS A 83 -9.753 0.149 2.820 1.00 64.15 H new ATOM 0 HB3 CYS A 83 -11.030 -0.662 1.935 1.00 64.15 H new ATOM 0 HG CYS A 83 -10.604 -0.537 5.321 1.00 2.53 H new ATOM 1266 N ALA A 84 -7.067 -1.753 3.162 1.00 24.05 N ATOM 1267 CA ALA A 84 -5.870 -1.721 4.013 1.00 34.54 C ATOM 1268 C ALA A 84 -5.607 -0.272 4.468 1.00 64.12 C ATOM 1269 O ALA A 84 -5.536 0.644 3.637 1.00 73.21 O ATOM 1270 CB ALA A 84 -4.674 -2.294 3.240 1.00 42.43 C ATOM 0 H ALA A 84 -6.867 -1.549 2.183 1.00 24.05 H new ATOM 0 HA ALA A 84 -6.022 -2.335 4.901 1.00 34.54 H new ATOM 0 HB1 ALA A 84 -3.787 -2.270 3.872 1.00 42.43 H new ATOM 0 HB2 ALA A 84 -4.886 -3.324 2.952 1.00 42.43 H new ATOM 0 HB3 ALA A 84 -4.499 -1.696 2.346 1.00 42.43 H new ATOM 1276 N TYR A 85 -5.462 -0.078 5.788 1.00 34.41 N ATOM 1277 CA TYR A 85 -5.490 1.261 6.421 1.00 42.03 C ATOM 1278 C TYR A 85 -4.057 1.814 6.601 1.00 52.43 C ATOM 1279 O TYR A 85 -3.228 1.185 7.259 1.00 73.43 O ATOM 1280 CB TYR A 85 -6.217 1.157 7.794 1.00 21.13 C ATOM 1281 CG TYR A 85 -7.536 0.363 7.735 1.00 4.25 C ATOM 1282 CD1 TYR A 85 -8.706 0.936 7.221 1.00 25.13 C ATOM 1283 CD2 TYR A 85 -7.603 -0.975 8.152 1.00 44.12 C ATOM 1284 CE1 TYR A 85 -9.883 0.212 7.140 1.00 64.52 C ATOM 1285 CE2 TYR A 85 -8.776 -1.701 8.065 1.00 70.51 C ATOM 1286 CZ TYR A 85 -9.914 -1.102 7.558 1.00 64.43 C ATOM 1287 OH TYR A 85 -11.088 -1.828 7.465 1.00 53.44 O ATOM 0 H TYR A 85 -5.322 -0.841 6.451 1.00 34.41 H new ATOM 0 HA TYR A 85 -6.031 1.954 5.776 1.00 42.03 H new ATOM 0 HB2 TYR A 85 -5.550 0.684 8.514 1.00 21.13 H new ATOM 0 HB3 TYR A 85 -6.424 2.162 8.163 1.00 21.13 H new ATOM 0 HD1 TYR A 85 -8.690 1.961 6.882 1.00 25.13 H new ATOM 0 HD2 TYR A 85 -6.718 -1.449 8.550 1.00 44.12 H new ATOM 0 HE1 TYR A 85 -10.777 0.676 6.750 1.00 64.52 H new ATOM 0 HE2 TYR A 85 -8.803 -2.730 8.391 1.00 70.51 H new ATOM 0 HH TYR A 85 -11.464 -1.729 6.565 1.00 53.44 H new ATOM 1297 N PHE A 86 -3.781 2.998 6.013 1.00 11.03 N ATOM 1298 CA PHE A 86 -2.475 3.699 6.133 1.00 1.30 C ATOM 1299 C PHE A 86 -2.693 5.177 6.537 1.00 52.15 C ATOM 1300 O PHE A 86 -3.630 5.827 6.058 1.00 50.11 O ATOM 1301 CB PHE A 86 -1.681 3.647 4.796 1.00 32.34 C ATOM 1302 CG PHE A 86 -1.376 2.242 4.270 1.00 51.22 C ATOM 1303 CD1 PHE A 86 -0.246 1.544 4.704 1.00 41.12 C ATOM 1304 CD2 PHE A 86 -2.209 1.625 3.336 1.00 4.30 C ATOM 1305 CE1 PHE A 86 0.036 0.281 4.221 1.00 63.44 C ATOM 1306 CE2 PHE A 86 -1.924 0.364 2.856 1.00 71.41 C ATOM 1307 CZ PHE A 86 -0.801 -0.307 3.296 1.00 32.12 C ATOM 0 H PHE A 86 -4.458 3.500 5.438 1.00 11.03 H new ATOM 0 HA PHE A 86 -1.898 3.188 6.904 1.00 1.30 H new ATOM 0 HB2 PHE A 86 -2.246 4.187 4.036 1.00 32.34 H new ATOM 0 HB3 PHE A 86 -0.739 4.179 4.931 1.00 32.34 H new ATOM 0 HD1 PHE A 86 0.416 1.998 5.427 1.00 41.12 H new ATOM 0 HD2 PHE A 86 -3.089 2.142 2.984 1.00 4.30 H new ATOM 0 HE1 PHE A 86 0.912 -0.246 4.568 1.00 63.44 H new ATOM 0 HE2 PHE A 86 -2.581 -0.099 2.135 1.00 71.41 H new ATOM 0 HZ PHE A 86 -0.578 -1.293 2.916 1.00 32.12 H new ATOM 1317 N THR A 87 -1.829 5.696 7.425 1.00 44.11 N ATOM 1318 CA THR A 87 -1.842 7.110 7.864 1.00 51.13 C ATOM 1319 C THR A 87 -0.389 7.582 8.098 1.00 31.31 C ATOM 1320 O THR A 87 0.247 7.214 9.095 1.00 63.22 O ATOM 1321 CB THR A 87 -2.698 7.328 9.173 1.00 75.43 C ATOM 1322 OG1 THR A 87 -4.048 6.850 8.990 1.00 13.23 O ATOM 1323 CG2 THR A 87 -2.761 8.813 9.591 1.00 10.41 C ATOM 0 H THR A 87 -1.093 5.144 7.865 1.00 44.11 H new ATOM 0 HA THR A 87 -2.311 7.699 7.076 1.00 51.13 H new ATOM 0 HB THR A 87 -2.200 6.762 9.960 1.00 75.43 H new ATOM 0 HG1 THR A 87 -4.560 6.993 9.813 1.00 13.23 H new ATOM 0 HG21 THR A 87 -3.361 8.911 10.496 1.00 10.41 H new ATOM 0 HG22 THR A 87 -1.753 9.180 9.782 1.00 10.41 H new ATOM 0 HG23 THR A 87 -3.214 9.397 8.790 1.00 10.41 H new ATOM 1331 N VAL A 88 0.144 8.365 7.147 1.00 2.52 N ATOM 1332 CA VAL A 88 1.531 8.877 7.197 1.00 40.05 C ATOM 1333 C VAL A 88 1.569 10.300 7.813 1.00 2.21 C ATOM 1334 O VAL A 88 1.188 11.276 7.161 1.00 42.11 O ATOM 1335 CB VAL A 88 2.188 8.864 5.761 1.00 72.31 C ATOM 1336 CG1 VAL A 88 3.631 9.440 5.770 1.00 22.35 C ATOM 1337 CG2 VAL A 88 2.180 7.430 5.172 1.00 44.24 C ATOM 0 H VAL A 88 -0.371 8.664 6.319 1.00 2.52 H new ATOM 0 HA VAL A 88 2.114 8.216 7.838 1.00 40.05 H new ATOM 0 HB VAL A 88 1.585 9.513 5.125 1.00 72.31 H new ATOM 0 HG11 VAL A 88 4.041 9.410 4.760 1.00 22.35 H new ATOM 0 HG12 VAL A 88 3.609 10.471 6.122 1.00 22.35 H new ATOM 0 HG13 VAL A 88 4.257 8.843 6.434 1.00 22.35 H new ATOM 0 HG21 VAL A 88 2.637 7.441 4.182 1.00 44.24 H new ATOM 0 HG22 VAL A 88 2.745 6.765 5.825 1.00 44.24 H new ATOM 0 HG23 VAL A 88 1.153 7.075 5.094 1.00 44.24 H new ATOM 1347 N THR A 89 2.018 10.396 9.078 1.00 12.30 N ATOM 1348 CA THR A 89 2.108 11.676 9.821 1.00 52.53 C ATOM 1349 C THR A 89 3.461 12.368 9.550 1.00 20.22 C ATOM 1350 O THR A 89 4.519 11.827 9.901 1.00 63.22 O ATOM 1351 CB THR A 89 1.942 11.453 11.364 1.00 72.34 C ATOM 1352 OG1 THR A 89 0.749 10.694 11.613 1.00 73.24 O ATOM 1353 CG2 THR A 89 1.867 12.786 12.149 1.00 12.41 C ATOM 0 H THR A 89 2.330 9.589 9.619 1.00 12.30 H new ATOM 0 HA THR A 89 1.296 12.313 9.469 1.00 52.53 H new ATOM 0 HB THR A 89 2.823 10.913 11.710 1.00 72.34 H new ATOM 0 HG1 THR A 89 0.646 10.553 12.577 1.00 73.24 H new ATOM 0 HG21 THR A 89 1.752 12.576 13.212 1.00 12.41 H new ATOM 0 HG22 THR A 89 2.783 13.355 11.988 1.00 12.41 H new ATOM 0 HG23 THR A 89 1.013 13.366 11.800 1.00 12.41 H new ATOM 1361 N ILE A 90 3.424 13.561 8.928 1.00 62.22 N ATOM 1362 CA ILE A 90 4.640 14.342 8.585 1.00 12.24 C ATOM 1363 C ILE A 90 4.850 15.509 9.569 1.00 51.31 C ATOM 1364 O ILE A 90 4.599 15.392 10.771 1.00 52.35 O ATOM 1365 CB ILE A 90 4.552 14.880 7.107 1.00 53.34 C ATOM 1366 CG1 ILE A 90 4.387 13.681 6.116 1.00 21.43 C ATOM 1367 CG2 ILE A 90 5.778 15.763 6.719 1.00 3.11 C ATOM 1368 CD1 ILE A 90 4.238 14.075 4.667 1.00 4.34 C ATOM 0 H ILE A 90 2.555 14.015 8.647 1.00 62.22 H new ATOM 0 HA ILE A 90 5.499 13.675 8.665 1.00 12.24 H new ATOM 0 HB ILE A 90 3.676 15.525 7.040 1.00 53.34 H new ATOM 0 HG12 ILE A 90 5.253 13.026 6.213 1.00 21.43 H new ATOM 0 HG13 ILE A 90 3.513 13.101 6.412 1.00 21.43 H new ATOM 0 HG21 ILE A 90 5.667 16.108 5.691 1.00 3.11 H new ATOM 0 HG22 ILE A 90 5.833 16.623 7.386 1.00 3.11 H new ATOM 0 HG23 ILE A 90 6.692 15.176 6.808 1.00 3.11 H new ATOM 0 HD11 ILE A 90 4.130 13.179 4.056 1.00 4.34 H new ATOM 0 HD12 ILE A 90 3.355 14.703 4.550 1.00 4.34 H new ATOM 0 HD13 ILE A 90 5.122 14.627 4.347 1.00 4.34 H new