USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 35 CYS SG : rot 33:sc= -0.646 USER MOD Set 1.2: A 69 SER OG : rot -89:sc= 1.6 USER MOD Set 1.3: A 71 THR OG1 : rot -54:sc= 0.793 USER MOD Set 2.1: A 16 GLN : amide:sc= -0.68 X(o=-5,f=-4.7) USER MOD Set 2.2: A 81 MET CE :methyl 140:sc= -4.36! (180deg=-9.08!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.0831 X(o=0.083,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.106 K(o=-0.11,f=-2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot -167:sc= 0.0261 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.189 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 0.26 (180deg=0.142) USER MOD Single : A 45 MET CE :methyl -173:sc= -1.12 (180deg=-1.2) USER MOD Single : A 47 MET CE :methyl -140:sc= -1.05 (180deg=-2.4!) USER MOD Single : A 50 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.54) USER MOD Single : A 51 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.456 USER MOD Single : A 58 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.26) USER MOD Single : A 60 MET CE :methyl -142:sc= 0 (180deg=-0.0587) USER MOD Single : A 80 MET CE :methyl -110:sc= -3.41 (180deg=-9.22!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -6.105 7.242 0.947 1.00 0.00 N ATOM 66 CA TYR A 5 -5.688 6.730 -0.363 1.00 0.00 C ATOM 67 C TYR A 5 -6.896 6.630 -1.296 1.00 0.00 C ATOM 68 O TYR A 5 -6.790 6.889 -2.496 1.00 0.00 O ATOM 69 CB TYR A 5 -5.039 5.345 -0.235 1.00 0.00 C ATOM 70 CG TYR A 5 -3.910 5.402 0.770 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.683 5.982 0.419 1.00 0.00 C ATOM 72 CD2 TYR A 5 -4.095 4.882 2.055 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.645 6.040 1.355 1.00 0.00 C ATOM 74 CE2 TYR A 5 -3.057 4.942 2.991 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.833 5.520 2.642 1.00 0.00 C ATOM 76 OH TYR A 5 -0.811 5.583 3.568 1.00 0.00 O ATOM 0 HA TYR A 5 -4.956 7.425 -0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.782 4.612 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.660 5.019 -1.204 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.539 6.384 -0.573 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.040 4.434 2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.699 6.486 1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.201 4.542 3.984 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.107 5.179 4.410 1.00 0.00 H new ATOM 86 N LYS A 6 -8.048 6.261 -0.722 1.00 0.00 N ATOM 87 CA LYS A 6 -9.290 6.138 -1.494 1.00 0.00 C ATOM 88 C LYS A 6 -9.751 7.509 -2.000 1.00 0.00 C ATOM 89 O LYS A 6 -10.351 7.617 -3.070 1.00 0.00 O ATOM 90 CB LYS A 6 -10.399 5.531 -0.629 1.00 0.00 C ATOM 91 CG LYS A 6 -10.081 4.060 -0.339 1.00 0.00 C ATOM 92 CD LYS A 6 -11.039 3.534 0.734 1.00 0.00 C ATOM 93 CE LYS A 6 -10.361 2.414 1.528 1.00 0.00 C ATOM 94 NZ LYS A 6 -10.477 1.128 0.780 1.00 0.00 N ATOM 0 H LYS A 6 -8.146 6.043 0.270 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.090 5.487 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.489 6.085 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.358 5.612 -1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.178 3.469 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.049 3.959 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.329 4.343 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.952 3.162 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.311 2.656 1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.825 2.318 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.016 0.369 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.481 0.895 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.015 1.223 -0.147 1.00 0.00 H new ATOM 108 N ALA A 7 -9.460 8.555 -1.218 1.00 0.00 N ATOM 109 CA ALA A 7 -9.841 9.917 -1.593 1.00 0.00 C ATOM 110 C ALA A 7 -8.981 10.424 -2.755 1.00 0.00 C ATOM 111 O ALA A 7 -9.453 11.191 -3.596 1.00 0.00 O ATOM 112 CB ALA A 7 -9.679 10.866 -0.402 1.00 0.00 C ATOM 0 H ALA A 7 -8.966 8.483 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.886 9.895 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.967 11.875 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.316 10.533 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.639 10.867 -0.076 1.00 0.00 H new ATOM 118 N ALA A 8 -7.715 9.986 -2.793 1.00 0.00 N ATOM 119 CA ALA A 8 -6.796 10.401 -3.857 1.00 0.00 C ATOM 120 C ALA A 8 -7.149 9.709 -5.174 1.00 0.00 C ATOM 121 O ALA A 8 -7.181 10.342 -6.229 1.00 0.00 O ATOM 122 CB ALA A 8 -5.352 10.063 -3.485 1.00 0.00 C ATOM 0 H ALA A 8 -7.309 9.351 -2.106 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.894 11.480 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.686 10.379 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.083 10.581 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.257 8.987 -3.337 1.00 0.00 H new ATOM 128 N VAL A 9 -7.424 8.401 -5.097 1.00 0.00 N ATOM 129 CA VAL A 9 -7.789 7.633 -6.292 1.00 0.00 C ATOM 130 C VAL A 9 -9.153 8.091 -6.834 1.00 0.00 C ATOM 131 O VAL A 9 -9.451 7.924 -8.017 1.00 0.00 O ATOM 132 CB VAL A 9 -7.823 6.127 -5.975 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.033 5.795 -5.097 1.00 0.00 C ATOM 134 CG2 VAL A 9 -7.904 5.328 -7.280 1.00 0.00 C ATOM 0 H VAL A 9 -7.401 7.859 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.033 7.812 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.913 5.861 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.044 4.727 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.969 6.353 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.949 6.068 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.928 4.262 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.809 5.604 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.032 5.548 -7.896 1.00 0.00 H new ATOM 144 N GLU A 10 -9.974 8.676 -5.955 1.00 0.00 N ATOM 145 CA GLU A 10 -11.294 9.167 -6.352 1.00 0.00 C ATOM 146 C GLU A 10 -11.209 10.565 -6.987 1.00 0.00 C ATOM 147 O GLU A 10 -12.140 10.994 -7.671 1.00 0.00 O ATOM 148 CB GLU A 10 -12.224 9.239 -5.135 1.00 0.00 C ATOM 149 CG GLU A 10 -12.919 7.888 -4.935 1.00 0.00 C ATOM 150 CD GLU A 10 -14.161 7.811 -5.821 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.031 7.382 -6.955 1.00 0.00 O ATOM 152 OE2 GLU A 10 -15.224 8.182 -5.350 1.00 0.00 O ATOM 0 H GLU A 10 -9.748 8.819 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.690 8.467 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.653 9.501 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.967 10.023 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.234 7.076 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.199 7.763 -3.889 1.00 0.00 H new ATOM 159 N GLN A 11 -10.100 11.282 -6.737 1.00 0.00 N ATOM 160 CA GLN A 11 -9.938 12.641 -7.276 1.00 0.00 C ATOM 161 C GLN A 11 -8.901 12.717 -8.411 1.00 0.00 C ATOM 162 O GLN A 11 -8.697 13.788 -8.986 1.00 0.00 O ATOM 163 CB GLN A 11 -9.527 13.611 -6.156 1.00 0.00 C ATOM 164 CG GLN A 11 -8.120 13.271 -5.649 1.00 0.00 C ATOM 165 CD GLN A 11 -7.719 14.258 -4.556 1.00 0.00 C ATOM 166 OE1 GLN A 11 -7.251 15.360 -4.845 1.00 0.00 O ATOM 167 NE2 GLN A 11 -7.872 13.925 -3.302 1.00 0.00 N ATOM 0 H GLN A 11 -9.316 10.950 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.905 12.925 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.550 14.636 -6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.241 13.553 -5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.099 12.253 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.406 13.313 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.259 13.013 -3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.604 14.577 -2.565 1.00 0.00 H new ATOM 176 N LEU A 12 -8.249 11.591 -8.735 1.00 0.00 N ATOM 177 CA LEU A 12 -7.244 11.591 -9.811 1.00 0.00 C ATOM 178 C LEU A 12 -7.908 11.826 -11.174 1.00 0.00 C ATOM 179 O LEU A 12 -9.136 11.871 -11.285 1.00 0.00 O ATOM 180 CB LEU A 12 -6.455 10.271 -9.850 1.00 0.00 C ATOM 181 CG LEU A 12 -7.260 8.989 -9.601 1.00 0.00 C ATOM 182 CD1 LEU A 12 -8.437 8.912 -10.578 1.00 0.00 C ATOM 183 CD2 LEU A 12 -6.354 7.772 -9.804 1.00 0.00 C ATOM 0 H LEU A 12 -8.393 10.689 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.549 12.404 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.974 10.189 -10.825 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.660 10.326 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.641 9.000 -8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.003 7.999 -10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.086 9.776 -10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.061 8.906 -11.601 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.925 6.860 -9.627 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.972 7.769 -10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.519 7.819 -9.104 1.00 0.00 H new ATOM 195 N THR A 13 -7.078 11.981 -12.210 1.00 0.00 N ATOM 196 CA THR A 13 -7.590 12.217 -13.563 1.00 0.00 C ATOM 197 C THR A 13 -7.840 10.900 -14.290 1.00 0.00 C ATOM 198 O THR A 13 -7.346 9.842 -13.889 1.00 0.00 O ATOM 199 CB THR A 13 -6.595 13.042 -14.396 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.286 12.912 -13.859 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.010 14.513 -14.391 1.00 0.00 C ATOM 0 H THR A 13 -6.061 11.948 -12.140 1.00 0.00 H new ATOM 0 HA THR A 13 -8.526 12.766 -13.456 1.00 0.00 H new ATOM 0 HB THR A 13 -6.598 12.671 -15.421 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.658 13.439 -14.396 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.302 15.093 -14.983 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.007 14.611 -14.820 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.018 14.885 -13.367 1.00 0.00 H new ATOM 209 N ASP A 14 -8.597 10.987 -15.384 1.00 0.00 N ATOM 210 CA ASP A 14 -8.897 9.809 -16.197 1.00 0.00 C ATOM 211 C ASP A 14 -7.626 9.318 -16.894 1.00 0.00 C ATOM 212 O ASP A 14 -7.456 8.121 -17.128 1.00 0.00 O ATOM 213 CB ASP A 14 -9.953 10.136 -17.256 1.00 0.00 C ATOM 214 CG ASP A 14 -10.685 8.859 -17.663 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.618 8.486 -16.970 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.301 8.272 -18.661 1.00 0.00 O ATOM 0 H ASP A 14 -9.011 11.854 -15.726 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.282 9.031 -15.538 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.663 10.864 -16.863 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.480 10.589 -18.127 1.00 0.00 H new ATOM 221 N GLU A 15 -6.728 10.265 -17.206 1.00 0.00 N ATOM 222 CA GLU A 15 -5.461 9.929 -17.861 1.00 0.00 C ATOM 223 C GLU A 15 -4.591 9.075 -16.934 1.00 0.00 C ATOM 224 O GLU A 15 -3.864 8.194 -17.390 1.00 0.00 O ATOM 225 CB GLU A 15 -4.692 11.202 -18.233 1.00 0.00 C ATOM 226 CG GLU A 15 -5.058 11.625 -19.659 1.00 0.00 C ATOM 227 CD GLU A 15 -3.886 12.375 -20.288 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.038 11.722 -20.875 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.854 13.589 -20.172 1.00 0.00 O ATOM 0 H GLU A 15 -6.856 11.259 -17.016 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.690 9.367 -18.767 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.932 12.002 -17.533 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.619 11.025 -18.159 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.305 10.748 -20.257 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.944 12.260 -19.645 1.00 0.00 H new ATOM 236 N GLN A 16 -4.690 9.341 -15.625 1.00 0.00 N ATOM 237 CA GLN A 16 -3.923 8.587 -14.632 1.00 0.00 C ATOM 238 C GLN A 16 -4.457 7.159 -14.536 1.00 0.00 C ATOM 239 O GLN A 16 -3.689 6.198 -14.482 1.00 0.00 O ATOM 240 CB GLN A 16 -4.026 9.254 -13.256 1.00 0.00 C ATOM 241 CG GLN A 16 -2.802 10.144 -13.025 1.00 0.00 C ATOM 242 CD GLN A 16 -3.125 11.202 -11.973 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.966 12.397 -12.219 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.572 10.834 -10.802 1.00 0.00 N ATOM 0 H GLN A 16 -5.290 10.067 -15.234 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.879 8.570 -14.945 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.937 9.849 -13.196 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.089 8.495 -12.476 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.957 9.538 -12.698 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.508 10.624 -13.959 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.705 9.844 -10.595 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.788 11.537 -10.095 1.00 0.00 H new ATOM 253 N LYS A 17 -5.790 7.037 -14.534 1.00 0.00 N ATOM 254 CA LYS A 17 -6.436 5.724 -14.465 1.00 0.00 C ATOM 255 C LYS A 17 -6.093 4.906 -15.710 1.00 0.00 C ATOM 256 O LYS A 17 -5.778 3.721 -15.619 1.00 0.00 O ATOM 257 CB LYS A 17 -7.960 5.871 -14.380 1.00 0.00 C ATOM 258 CG LYS A 17 -8.344 6.623 -13.101 1.00 0.00 C ATOM 259 CD LYS A 17 -9.671 7.357 -13.323 1.00 0.00 C ATOM 260 CE LYS A 17 -10.830 6.489 -12.825 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.015 6.684 -13.709 1.00 0.00 N ATOM 0 H LYS A 17 -6.436 7.825 -14.579 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.072 5.217 -13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.331 6.408 -15.253 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.429 4.887 -14.388 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.436 5.925 -12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.562 7.334 -12.835 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.664 8.310 -12.794 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.801 7.582 -14.382 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.536 5.439 -12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.082 6.754 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.802 6.094 -13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.300 7.684 -13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.771 6.410 -14.682 1.00 0.00 H new ATOM 275 N ASN A 18 -6.154 5.564 -16.872 1.00 0.00 N ATOM 276 CA ASN A 18 -5.845 4.902 -18.145 1.00 0.00 C ATOM 277 C ASN A 18 -4.360 4.547 -18.230 1.00 0.00 C ATOM 278 O ASN A 18 -3.990 3.545 -18.844 1.00 0.00 O ATOM 279 CB ASN A 18 -6.208 5.809 -19.327 1.00 0.00 C ATOM 280 CG ASN A 18 -7.724 5.830 -19.526 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.437 4.940 -19.058 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.265 6.805 -20.204 1.00 0.00 N ATOM 0 H ASN A 18 -6.412 6.547 -16.958 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.436 3.987 -18.191 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.843 6.820 -19.145 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.719 5.452 -20.233 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.275 6.829 -20.345 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.678 7.543 -20.593 1.00 0.00 H new ATOM 289 N GLU A 19 -3.515 5.377 -17.607 1.00 0.00 N ATOM 290 CA GLU A 19 -2.068 5.141 -17.612 1.00 0.00 C ATOM 291 C GLU A 19 -1.748 3.757 -17.045 1.00 0.00 C ATOM 292 O GLU A 19 -0.992 2.988 -17.642 1.00 0.00 O ATOM 293 CB GLU A 19 -1.350 6.205 -16.772 1.00 0.00 C ATOM 294 CG GLU A 19 0.165 6.072 -16.952 1.00 0.00 C ATOM 295 CD GLU A 19 0.856 7.312 -16.397 1.00 0.00 C ATOM 296 OE1 GLU A 19 1.011 8.266 -17.143 1.00 0.00 O ATOM 297 OE2 GLU A 19 1.222 7.291 -15.233 1.00 0.00 O ATOM 0 H GLU A 19 -3.806 6.211 -17.097 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.721 5.197 -18.644 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.675 7.201 -17.074 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.612 6.089 -15.720 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.526 5.181 -16.438 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.407 5.950 -18.008 1.00 0.00 H new ATOM 304 N PHE A 20 -2.338 3.451 -15.886 1.00 0.00 N ATOM 305 CA PHE A 20 -2.118 2.159 -15.241 1.00 0.00 C ATOM 306 C PHE A 20 -2.962 1.072 -15.907 1.00 0.00 C ATOM 307 O PHE A 20 -2.468 -0.013 -16.194 1.00 0.00 O ATOM 308 CB PHE A 20 -2.494 2.229 -13.762 1.00 0.00 C ATOM 309 CG PHE A 20 -1.372 2.855 -12.968 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.358 2.052 -12.431 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.354 4.238 -12.755 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.671 2.629 -11.681 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.325 4.818 -12.003 1.00 0.00 C ATOM 314 CZ PHE A 20 0.687 4.013 -11.464 1.00 0.00 C ATOM 0 H PHE A 20 -2.966 4.076 -15.381 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.061 1.915 -15.342 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.406 2.812 -13.638 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.702 1.228 -13.384 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.371 0.985 -12.597 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.134 4.858 -13.171 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.453 2.008 -11.269 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.312 5.885 -11.839 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.479 4.459 -10.881 1.00 0.00 H new ATOM 324 N LYS A 21 -4.244 1.379 -16.138 1.00 0.00 N ATOM 325 CA LYS A 21 -5.167 0.420 -16.759 1.00 0.00 C ATOM 326 C LYS A 21 -4.612 -0.118 -18.085 1.00 0.00 C ATOM 327 O LYS A 21 -4.823 -1.282 -18.420 1.00 0.00 O ATOM 328 CB LYS A 21 -6.531 1.072 -17.006 1.00 0.00 C ATOM 329 CG LYS A 21 -7.578 -0.006 -17.314 1.00 0.00 C ATOM 330 CD LYS A 21 -7.839 -0.847 -16.061 1.00 0.00 C ATOM 331 CE LYS A 21 -9.080 -1.716 -16.276 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.512 -2.302 -14.975 1.00 0.00 N ATOM 0 H LYS A 21 -4.665 2.279 -15.906 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.281 -0.415 -16.068 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.834 1.645 -16.130 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.463 1.773 -17.838 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.504 0.459 -17.651 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.229 -0.644 -18.126 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.975 -1.476 -15.846 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.983 -0.197 -15.198 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.886 -1.118 -16.702 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.861 -2.511 -16.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.355 -2.892 -15.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.745 -2.886 -14.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.738 -1.537 -14.308 1.00 0.00 H new ATOM 346 N ALA A 22 -3.895 0.736 -18.825 1.00 0.00 N ATOM 347 CA ALA A 22 -3.307 0.319 -20.104 1.00 0.00 C ATOM 348 C ALA A 22 -2.311 -0.817 -19.874 1.00 0.00 C ATOM 349 O ALA A 22 -2.409 -1.880 -20.491 1.00 0.00 O ATOM 350 CB ALA A 22 -2.582 1.490 -20.773 1.00 0.00 C ATOM 0 H ALA A 22 -3.710 1.705 -18.566 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.113 -0.021 -20.754 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.153 1.160 -21.719 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.290 2.298 -20.957 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.786 1.847 -20.119 1.00 0.00 H new ATOM 356 N ALA A 23 -1.368 -0.581 -18.956 1.00 0.00 N ATOM 357 CA ALA A 23 -0.363 -1.589 -18.612 1.00 0.00 C ATOM 358 C ALA A 23 -1.035 -2.769 -17.911 1.00 0.00 C ATOM 359 O ALA A 23 -0.655 -3.923 -18.094 1.00 0.00 O ATOM 360 CB ALA A 23 0.694 -0.992 -17.675 1.00 0.00 C ATOM 0 H ALA A 23 -1.281 0.295 -18.441 1.00 0.00 H new ATOM 0 HA ALA A 23 0.118 -1.925 -19.531 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.434 -1.754 -17.429 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.186 -0.154 -18.169 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.214 -0.643 -16.761 1.00 0.00 H new ATOM 366 N PHE A 24 -2.050 -2.452 -17.111 1.00 0.00 N ATOM 367 CA PHE A 24 -2.798 -3.467 -16.373 1.00 0.00 C ATOM 368 C PHE A 24 -3.457 -4.464 -17.328 1.00 0.00 C ATOM 369 O PHE A 24 -3.396 -5.673 -17.114 1.00 0.00 O ATOM 370 CB PHE A 24 -3.889 -2.791 -15.532 1.00 0.00 C ATOM 371 CG PHE A 24 -4.398 -3.739 -14.473 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.283 -4.766 -14.818 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.989 -3.585 -13.145 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.759 -5.638 -13.836 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.463 -4.458 -12.164 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.348 -5.484 -12.508 1.00 0.00 C ATOM 0 H PHE A 24 -2.374 -1.497 -16.957 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.100 -4.003 -15.729 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.491 -1.891 -15.063 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.712 -2.478 -16.175 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.598 -4.885 -15.844 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.307 -2.791 -12.878 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.443 -6.430 -14.102 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.146 -4.341 -11.138 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.715 -6.158 -11.748 1.00 0.00 H new ATOM 386 N ASP A 25 -4.104 -3.938 -18.373 1.00 0.00 N ATOM 387 CA ASP A 25 -4.804 -4.780 -19.351 1.00 0.00 C ATOM 388 C ASP A 25 -3.847 -5.677 -20.146 1.00 0.00 C ATOM 389 O ASP A 25 -4.170 -6.831 -20.433 1.00 0.00 O ATOM 390 CB ASP A 25 -5.596 -3.911 -20.334 1.00 0.00 C ATOM 391 CG ASP A 25 -6.593 -4.779 -21.098 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.668 -5.017 -20.571 1.00 0.00 O ATOM 393 OD2 ASP A 25 -6.266 -5.195 -22.199 1.00 0.00 O ATOM 0 H ASP A 25 -4.158 -2.937 -18.564 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.477 -5.421 -18.782 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.123 -3.123 -19.796 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.916 -3.421 -21.031 1.00 0.00 H new ATOM 398 N ILE A 26 -2.683 -5.139 -20.520 1.00 0.00 N ATOM 399 CA ILE A 26 -1.712 -5.915 -21.306 1.00 0.00 C ATOM 400 C ILE A 26 -1.060 -7.020 -20.467 1.00 0.00 C ATOM 401 O ILE A 26 -0.796 -8.114 -20.973 1.00 0.00 O ATOM 402 CB ILE A 26 -0.617 -5.008 -21.898 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.066 -4.207 -20.781 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.249 -4.043 -22.905 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.266 -3.443 -21.345 1.00 0.00 C ATOM 0 H ILE A 26 -2.391 -4.187 -20.298 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.268 -6.378 -22.121 1.00 0.00 H new ATOM 0 HB ILE A 26 0.129 -5.627 -22.397 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.644 -3.509 -20.336 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.392 -4.879 -19.987 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.477 -3.399 -23.326 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.724 -4.611 -23.705 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.997 -3.431 -22.402 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.745 -2.877 -20.546 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.980 -4.149 -21.769 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.928 -2.758 -22.123 1.00 0.00 H new ATOM 417 N PHE A 27 -0.797 -6.731 -19.189 1.00 0.00 N ATOM 418 CA PHE A 27 -0.167 -7.721 -18.306 1.00 0.00 C ATOM 419 C PHE A 27 -1.174 -8.786 -17.855 1.00 0.00 C ATOM 420 O PHE A 27 -0.805 -9.946 -17.662 1.00 0.00 O ATOM 421 CB PHE A 27 0.462 -7.043 -17.081 1.00 0.00 C ATOM 422 CG PHE A 27 1.612 -6.161 -17.531 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.562 -6.652 -18.440 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.722 -4.851 -17.051 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.613 -5.832 -18.868 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.775 -4.034 -17.479 1.00 0.00 C ATOM 427 CZ PHE A 27 3.719 -4.524 -18.386 1.00 0.00 C ATOM 0 H PHE A 27 -1.006 -5.836 -18.747 1.00 0.00 H new ATOM 0 HA PHE A 27 0.620 -8.212 -18.878 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.285 -6.447 -16.557 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.819 -7.795 -16.378 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.482 -7.664 -18.810 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.994 -4.470 -16.350 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.341 -6.210 -19.570 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.858 -3.023 -17.108 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.531 -3.892 -18.715 1.00 0.00 H new ATOM 437 N ILE A 28 -2.448 -8.397 -17.712 1.00 0.00 N ATOM 438 CA ILE A 28 -3.488 -9.358 -17.307 1.00 0.00 C ATOM 439 C ILE A 28 -4.263 -9.877 -18.530 1.00 0.00 C ATOM 440 O ILE A 28 -5.297 -10.533 -18.383 1.00 0.00 O ATOM 441 CB ILE A 28 -4.483 -8.729 -16.313 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.339 -7.668 -17.021 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.725 -8.084 -15.152 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.698 -8.268 -17.387 1.00 0.00 C ATOM 0 H ILE A 28 -2.781 -7.445 -17.866 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.979 -10.189 -16.819 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.134 -9.513 -15.927 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.475 -6.803 -16.372 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.831 -7.316 -17.919 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.436 -7.642 -14.454 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.135 -8.842 -14.637 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.063 -7.308 -15.536 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.305 -7.515 -17.889 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.553 -9.119 -18.052 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.206 -8.598 -16.481 1.00 0.00 H new ATOM 456 N GLN A 29 -3.754 -9.579 -19.735 1.00 0.00 N ATOM 457 CA GLN A 29 -4.400 -10.015 -20.979 1.00 0.00 C ATOM 458 C GLN A 29 -4.729 -11.512 -20.946 1.00 0.00 C ATOM 459 O GLN A 29 -5.778 -11.938 -21.432 1.00 0.00 O ATOM 460 CB GLN A 29 -3.477 -9.730 -22.170 1.00 0.00 C ATOM 461 CG GLN A 29 -4.108 -10.263 -23.459 1.00 0.00 C ATOM 462 CD GLN A 29 -3.269 -9.831 -24.657 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.641 -10.660 -25.315 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.219 -8.566 -24.985 1.00 0.00 N ATOM 0 H GLN A 29 -2.899 -9.039 -19.873 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.332 -9.459 -21.083 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.302 -8.658 -22.257 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.506 -10.199 -22.009 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.173 -11.350 -23.421 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.126 -9.886 -23.560 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.739 -7.877 -24.441 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.660 -8.268 -25.785 1.00 0.00 H new ATOM 473 N ASP A 30 -3.816 -12.300 -20.375 1.00 0.00 N ATOM 474 CA ASP A 30 -4.008 -13.751 -20.288 1.00 0.00 C ATOM 475 C ASP A 30 -4.331 -14.193 -18.850 1.00 0.00 C ATOM 476 O ASP A 30 -4.182 -15.368 -18.506 1.00 0.00 O ATOM 477 CB ASP A 30 -2.744 -14.479 -20.766 1.00 0.00 C ATOM 478 CG ASP A 30 -2.395 -14.027 -22.183 1.00 0.00 C ATOM 479 OD1 ASP A 30 -2.931 -14.601 -23.117 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.599 -13.111 -22.313 1.00 0.00 O ATOM 0 H ASP A 30 -2.943 -11.963 -19.969 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.852 -14.010 -20.927 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.914 -14.268 -20.092 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.904 -15.557 -20.747 1.00 0.00 H new ATOM 485 N ALA A 31 -4.783 -13.246 -18.020 1.00 0.00 N ATOM 486 CA ALA A 31 -5.131 -13.553 -16.632 1.00 0.00 C ATOM 487 C ALA A 31 -6.640 -13.722 -16.483 1.00 0.00 C ATOM 488 O ALA A 31 -7.426 -13.118 -17.218 1.00 0.00 O ATOM 489 CB ALA A 31 -4.662 -12.436 -15.696 1.00 0.00 C ATOM 0 H ALA A 31 -4.915 -12.270 -18.284 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.631 -14.484 -16.363 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.931 -12.685 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.580 -12.328 -15.772 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.141 -11.499 -15.980 1.00 0.00 H new ATOM 495 N GLU A 32 -7.031 -14.547 -15.513 1.00 0.00 N ATOM 496 CA GLU A 32 -8.448 -14.797 -15.251 1.00 0.00 C ATOM 497 C GLU A 32 -8.775 -14.483 -13.788 1.00 0.00 C ATOM 498 O GLU A 32 -9.457 -15.251 -13.103 1.00 0.00 O ATOM 499 CB GLU A 32 -8.797 -16.260 -15.555 1.00 0.00 C ATOM 500 CG GLU A 32 -8.837 -16.473 -17.072 1.00 0.00 C ATOM 501 CD GLU A 32 -8.316 -17.867 -17.407 1.00 0.00 C ATOM 502 OE1 GLU A 32 -7.119 -18.000 -17.604 1.00 0.00 O ATOM 503 OE2 GLU A 32 -9.121 -18.783 -17.462 1.00 0.00 O ATOM 0 H GLU A 32 -6.391 -15.051 -14.899 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.040 -14.150 -15.899 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.058 -16.922 -15.104 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.762 -16.513 -15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.857 -16.357 -17.439 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.231 -15.717 -17.572 1.00 0.00 H new ATOM 510 N ASP A 33 -8.267 -13.339 -13.315 1.00 0.00 N ATOM 511 CA ASP A 33 -8.493 -12.921 -11.928 1.00 0.00 C ATOM 512 C ASP A 33 -8.777 -11.420 -11.843 1.00 0.00 C ATOM 513 O ASP A 33 -9.734 -10.996 -11.191 1.00 0.00 O ATOM 514 CB ASP A 33 -7.268 -13.244 -11.064 1.00 0.00 C ATOM 515 CG ASP A 33 -7.078 -14.758 -10.985 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.700 -15.370 -10.133 1.00 0.00 O ATOM 517 OD2 ASP A 33 -6.313 -15.281 -11.779 1.00 0.00 O ATOM 0 H ASP A 33 -7.702 -12.693 -13.866 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.360 -13.469 -11.559 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.379 -12.778 -11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.398 -12.831 -10.063 1.00 0.00 H new ATOM 522 N GLY A 34 -7.930 -10.622 -12.498 1.00 0.00 N ATOM 523 CA GLY A 34 -8.088 -9.166 -12.483 1.00 0.00 C ATOM 524 C GLY A 34 -6.984 -8.520 -11.649 1.00 0.00 C ATOM 525 O GLY A 34 -7.241 -7.628 -10.838 1.00 0.00 O ATOM 0 H GLY A 34 -7.134 -10.956 -13.041 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.056 -8.780 -13.502 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.063 -8.904 -12.073 1.00 0.00 H new ATOM 529 N CYS A 35 -5.751 -8.992 -11.857 1.00 0.00 N ATOM 530 CA CYS A 35 -4.595 -8.471 -11.123 1.00 0.00 C ATOM 531 C CYS A 35 -3.299 -8.788 -11.867 1.00 0.00 C ATOM 532 O CYS A 35 -3.158 -9.855 -12.469 1.00 0.00 O ATOM 533 CB CYS A 35 -4.531 -9.083 -9.720 1.00 0.00 C ATOM 534 SG CYS A 35 -4.673 -10.885 -9.831 1.00 0.00 S ATOM 0 H CYS A 35 -5.529 -9.731 -12.525 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.709 -7.390 -11.042 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.592 -8.812 -9.237 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.334 -8.683 -9.102 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.114 -11.297 -10.930 1.00 0.00 H new ATOM 540 N ILE A 36 -2.351 -7.849 -11.812 1.00 0.00 N ATOM 541 CA ILE A 36 -1.061 -8.041 -12.482 1.00 0.00 C ATOM 542 C ILE A 36 -0.109 -8.816 -11.569 1.00 0.00 C ATOM 543 O ILE A 36 -0.431 -9.093 -10.413 1.00 0.00 O ATOM 544 CB ILE A 36 -0.424 -6.689 -12.874 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.151 -5.987 -11.634 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.478 -5.785 -13.522 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.681 -6.080 -11.654 1.00 0.00 C ATOM 0 H ILE A 36 -2.448 -6.961 -11.319 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.237 -8.611 -13.394 1.00 0.00 H new ATOM 0 HB ILE A 36 0.382 -6.880 -13.582 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.160 -4.942 -11.618 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.240 -6.450 -10.728 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.022 -4.833 -13.796 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.873 -6.269 -14.415 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.290 -5.609 -12.816 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.087 -5.582 -10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.982 -7.128 -11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.063 -5.597 -12.553 1.00 0.00 H new ATOM 559 N SER A 37 1.063 -9.163 -12.097 1.00 0.00 N ATOM 560 CA SER A 37 2.048 -9.908 -11.314 1.00 0.00 C ATOM 561 C SER A 37 3.002 -8.953 -10.600 1.00 0.00 C ATOM 562 O SER A 37 3.817 -8.281 -11.237 1.00 0.00 O ATOM 563 CB SER A 37 2.858 -10.844 -12.215 1.00 0.00 C ATOM 564 OG SER A 37 3.646 -11.709 -11.408 1.00 0.00 O ATOM 0 H SER A 37 1.352 -8.944 -13.050 1.00 0.00 H new ATOM 0 HA SER A 37 1.507 -10.498 -10.574 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.189 -11.427 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.499 -10.264 -12.879 1.00 0.00 H new ATOM 0 HG SER A 37 4.314 -12.159 -11.966 1.00 0.00 H new ATOM 570 N THR A 38 2.900 -8.912 -9.266 1.00 0.00 N ATOM 571 CA THR A 38 3.773 -8.048 -8.457 1.00 0.00 C ATOM 572 C THR A 38 5.239 -8.377 -8.740 1.00 0.00 C ATOM 573 O THR A 38 6.097 -7.495 -8.744 1.00 0.00 O ATOM 574 CB THR A 38 3.505 -8.234 -6.959 1.00 0.00 C ATOM 575 OG1 THR A 38 3.734 -9.589 -6.596 1.00 0.00 O ATOM 576 CG2 THR A 38 2.059 -7.856 -6.643 1.00 0.00 C ATOM 0 H THR A 38 2.230 -9.460 -8.727 1.00 0.00 H new ATOM 0 HA THR A 38 3.560 -7.014 -8.728 1.00 0.00 H new ATOM 0 HB THR A 38 4.177 -7.590 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.184 -9.623 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.873 -7.990 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.888 -6.814 -6.913 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.383 -8.494 -7.212 1.00 0.00 H new ATOM 584 N LYS A 39 5.508 -9.661 -8.995 1.00 0.00 N ATOM 585 CA LYS A 39 6.869 -10.106 -9.308 1.00 0.00 C ATOM 586 C LYS A 39 7.352 -9.423 -10.586 1.00 0.00 C ATOM 587 O LYS A 39 8.533 -9.101 -10.727 1.00 0.00 O ATOM 588 CB LYS A 39 6.923 -11.627 -9.517 1.00 0.00 C ATOM 589 CG LYS A 39 6.297 -12.346 -8.319 1.00 0.00 C ATOM 590 CD LYS A 39 5.585 -13.613 -8.798 1.00 0.00 C ATOM 591 CE LYS A 39 4.635 -14.112 -7.707 1.00 0.00 C ATOM 592 NZ LYS A 39 3.725 -15.149 -8.272 1.00 0.00 N ATOM 0 H LYS A 39 4.809 -10.404 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 39 7.509 -9.841 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.392 -11.895 -10.430 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.957 -11.948 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.068 -12.602 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.590 -11.687 -7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.028 -13.406 -9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.316 -14.385 -9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.205 -14.528 -6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.053 -13.281 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.080 -15.487 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.171 -14.738 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.288 -15.946 -8.631 1.00 0.00 H new ATOM 606 N GLU A 40 6.412 -9.200 -11.510 1.00 0.00 N ATOM 607 CA GLU A 40 6.725 -8.545 -12.777 1.00 0.00 C ATOM 608 C GLU A 40 6.276 -7.075 -12.759 1.00 0.00 C ATOM 609 O GLU A 40 5.997 -6.492 -13.810 1.00 0.00 O ATOM 610 CB GLU A 40 6.032 -9.272 -13.936 1.00 0.00 C ATOM 611 CG GLU A 40 6.717 -10.621 -14.181 1.00 0.00 C ATOM 612 CD GLU A 40 5.734 -11.579 -14.848 1.00 0.00 C ATOM 613 OE1 GLU A 40 5.626 -11.536 -16.063 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.104 -12.342 -14.134 1.00 0.00 O ATOM 0 H GLU A 40 5.433 -9.464 -11.402 1.00 0.00 H new ATOM 0 HA GLU A 40 7.805 -8.583 -12.916 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.978 -9.425 -13.704 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.075 -8.662 -14.838 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.594 -10.485 -14.813 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.066 -11.040 -13.237 1.00 0.00 H new ATOM 621 N LEU A 41 6.220 -6.475 -11.558 1.00 0.00 N ATOM 622 CA LEU A 41 5.818 -5.067 -11.435 1.00 0.00 C ATOM 623 C LEU A 41 6.785 -4.170 -12.206 1.00 0.00 C ATOM 624 O LEU A 41 6.386 -3.142 -12.748 1.00 0.00 O ATOM 625 CB LEU A 41 5.792 -4.612 -9.971 1.00 0.00 C ATOM 626 CG LEU A 41 4.468 -3.998 -9.497 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.627 -3.492 -8.062 1.00 0.00 C ATOM 628 CD2 LEU A 41 4.082 -2.825 -10.408 1.00 0.00 C ATOM 0 H LEU A 41 6.444 -6.934 -10.675 1.00 0.00 H new ATOM 0 HA LEU A 41 4.813 -4.983 -11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.023 -5.468 -9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.586 -3.881 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 41 3.687 -4.757 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.687 -3.055 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.896 -4.324 -7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.411 -2.736 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.141 -2.393 -10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.863 -2.066 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.967 -3.182 -11.432 1.00 0.00 H new ATOM 640 N GLY A 42 8.061 -4.579 -12.260 1.00 0.00 N ATOM 641 CA GLY A 42 9.077 -3.812 -12.984 1.00 0.00 C ATOM 642 C GLY A 42 8.664 -3.610 -14.442 1.00 0.00 C ATOM 643 O GLY A 42 8.918 -2.561 -15.027 1.00 0.00 O ATOM 0 H GLY A 42 8.409 -5.428 -11.815 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.220 -2.844 -12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.033 -4.334 -12.941 1.00 0.00 H new ATOM 647 N LYS A 43 8.013 -4.626 -15.018 1.00 0.00 N ATOM 648 CA LYS A 43 7.555 -4.547 -16.408 1.00 0.00 C ATOM 649 C LYS A 43 6.503 -3.444 -16.577 1.00 0.00 C ATOM 650 O LYS A 43 6.366 -2.870 -17.657 1.00 0.00 O ATOM 651 CB LYS A 43 6.947 -5.881 -16.855 1.00 0.00 C ATOM 652 CG LYS A 43 8.043 -6.948 -16.935 1.00 0.00 C ATOM 653 CD LYS A 43 7.452 -8.250 -17.480 1.00 0.00 C ATOM 654 CE LYS A 43 8.578 -9.257 -17.728 1.00 0.00 C ATOM 655 NZ LYS A 43 8.000 -10.621 -17.901 1.00 0.00 N ATOM 0 H LYS A 43 7.793 -5.504 -14.548 1.00 0.00 H new ATOM 0 HA LYS A 43 8.424 -4.316 -17.024 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.174 -6.192 -16.153 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.467 -5.765 -17.827 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.852 -6.606 -17.581 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.473 -7.117 -15.948 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.733 -8.660 -16.771 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.912 -8.057 -18.407 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.143 -8.975 -18.617 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.276 -9.250 -16.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.737 -11.335 -17.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.223 -10.758 -17.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.636 -10.723 -18.870 1.00 0.00 H new ATOM 669 N VAL A 44 5.763 -3.155 -15.499 1.00 0.00 N ATOM 670 CA VAL A 44 4.726 -2.117 -15.541 1.00 0.00 C ATOM 671 C VAL A 44 5.298 -0.772 -15.079 1.00 0.00 C ATOM 672 O VAL A 44 4.980 0.273 -15.645 1.00 0.00 O ATOM 673 CB VAL A 44 3.485 -2.506 -14.686 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.490 -4.010 -14.376 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.455 -1.734 -13.360 1.00 0.00 C ATOM 0 H VAL A 44 5.861 -3.620 -14.596 1.00 0.00 H new ATOM 0 HA VAL A 44 4.394 -2.023 -16.575 1.00 0.00 H new ATOM 0 HB VAL A 44 2.601 -2.250 -15.270 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.614 -4.261 -13.778 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.466 -4.574 -15.309 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.393 -4.264 -13.822 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.576 -2.029 -12.787 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.354 -1.960 -12.787 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.413 -0.664 -13.563 1.00 0.00 H new ATOM 685 N MET A 45 6.147 -0.815 -14.045 1.00 0.00 N ATOM 686 CA MET A 45 6.759 0.403 -13.514 1.00 0.00 C ATOM 687 C MET A 45 7.720 1.006 -14.532 1.00 0.00 C ATOM 688 O MET A 45 7.678 2.205 -14.796 1.00 0.00 O ATOM 689 CB MET A 45 7.521 0.106 -12.216 1.00 0.00 C ATOM 690 CG MET A 45 7.067 1.074 -11.119 1.00 0.00 C ATOM 691 SD MET A 45 5.769 0.297 -10.124 1.00 0.00 S ATOM 692 CE MET A 45 4.355 0.904 -11.075 1.00 0.00 C ATOM 0 H MET A 45 6.422 -1.672 -13.565 1.00 0.00 H new ATOM 0 HA MET A 45 5.960 1.114 -13.306 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.341 -0.923 -11.904 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.594 0.206 -12.382 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.912 1.344 -10.486 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.695 1.996 -11.565 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.431 0.643 -10.560 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.421 1.987 -11.174 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.360 0.448 -12.065 1.00 0.00 H new ATOM 702 N ARG A 46 8.577 0.157 -15.108 1.00 0.00 N ATOM 703 CA ARG A 46 9.544 0.619 -16.113 1.00 0.00 C ATOM 704 C ARG A 46 8.814 1.138 -17.351 1.00 0.00 C ATOM 705 O ARG A 46 9.264 2.086 -17.997 1.00 0.00 O ATOM 706 CB ARG A 46 10.492 -0.513 -16.524 1.00 0.00 C ATOM 707 CG ARG A 46 11.317 -0.959 -15.312 1.00 0.00 C ATOM 708 CD ARG A 46 11.937 -2.333 -15.587 1.00 0.00 C ATOM 709 NE ARG A 46 13.310 -2.199 -16.082 1.00 0.00 N ATOM 710 CZ ARG A 46 14.043 -3.269 -16.420 1.00 0.00 C ATOM 711 NH1 ARG A 46 13.549 -4.481 -16.317 1.00 0.00 N ATOM 712 NH2 ARG A 46 15.267 -3.104 -16.855 1.00 0.00 N ATOM 0 H ARG A 46 8.623 -0.841 -14.901 1.00 0.00 H new ATOM 0 HA ARG A 46 10.128 1.424 -15.668 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.921 -1.354 -16.917 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.153 -0.175 -17.322 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.101 -0.230 -15.105 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.684 -1.006 -14.426 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.932 -2.928 -14.674 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.333 -2.869 -16.319 1.00 0.00 H new ATOM 0 HE ARG A 46 13.718 -1.268 -16.171 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.597 -4.617 -15.977 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.117 -5.287 -16.577 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.658 -2.165 -16.935 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.830 -3.914 -17.114 1.00 0.00 H new ATOM 726 N MET A 47 7.665 0.523 -17.657 1.00 0.00 N ATOM 727 CA MET A 47 6.857 0.945 -18.804 1.00 0.00 C ATOM 728 C MET A 47 6.242 2.318 -18.526 1.00 0.00 C ATOM 729 O MET A 47 6.104 3.146 -19.427 1.00 0.00 O ATOM 730 CB MET A 47 5.732 -0.062 -19.074 1.00 0.00 C ATOM 731 CG MET A 47 6.035 -0.854 -20.350 1.00 0.00 C ATOM 732 SD MET A 47 7.593 -1.760 -20.156 1.00 0.00 S ATOM 733 CE MET A 47 8.598 -0.735 -21.259 1.00 0.00 C ATOM 0 H MET A 47 7.278 -0.261 -17.131 1.00 0.00 H new ATOM 0 HA MET A 47 7.505 0.997 -19.679 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.631 -0.743 -18.229 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.781 0.461 -19.178 1.00 0.00 H new ATOM 0 HG2 MET A 47 5.223 -1.550 -20.558 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.101 -0.177 -21.202 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.263 -1.372 -21.842 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.946 -0.178 -21.932 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.191 -0.037 -20.668 1.00 0.00 H new ATOM 743 N LEU A 48 5.890 2.546 -17.256 1.00 0.00 N ATOM 744 CA LEU A 48 5.303 3.819 -16.833 1.00 0.00 C ATOM 745 C LEU A 48 6.377 4.911 -16.799 1.00 0.00 C ATOM 746 O LEU A 48 6.104 6.076 -17.096 1.00 0.00 O ATOM 747 CB LEU A 48 4.691 3.679 -15.434 1.00 0.00 C ATOM 748 CG LEU A 48 3.190 3.352 -15.388 1.00 0.00 C ATOM 749 CD1 LEU A 48 2.840 2.298 -16.447 1.00 0.00 C ATOM 750 CD2 LEU A 48 2.837 2.807 -14.001 1.00 0.00 C ATOM 0 H LEU A 48 6.002 1.865 -16.505 1.00 0.00 H new ATOM 0 HA LEU A 48 4.526 4.093 -17.547 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.230 2.897 -14.899 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.857 4.609 -14.891 1.00 0.00 H new ATOM 0 HG LEU A 48 2.623 4.260 -15.591 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.774 2.077 -16.402 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.090 2.680 -17.437 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.408 1.387 -16.256 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.773 2.573 -13.962 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.415 1.903 -13.807 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.072 3.556 -13.245 1.00 0.00 H new ATOM 762 N GLY A 49 7.602 4.510 -16.439 1.00 0.00 N ATOM 763 CA GLY A 49 8.730 5.444 -16.369 1.00 0.00 C ATOM 764 C GLY A 49 9.446 5.377 -15.014 1.00 0.00 C ATOM 765 O GLY A 49 9.994 6.378 -14.549 1.00 0.00 O ATOM 0 H GLY A 49 7.836 3.548 -16.193 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.439 5.217 -17.166 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.372 6.459 -16.540 1.00 0.00 H new ATOM 769 N GLN A 50 9.440 4.192 -14.387 1.00 0.00 N ATOM 770 CA GLN A 50 10.093 4.011 -13.085 1.00 0.00 C ATOM 771 C GLN A 50 10.984 2.770 -13.106 1.00 0.00 C ATOM 772 O GLN A 50 10.550 1.684 -13.489 1.00 0.00 O ATOM 773 CB GLN A 50 9.052 3.851 -11.969 1.00 0.00 C ATOM 774 CG GLN A 50 7.988 4.948 -12.079 1.00 0.00 C ATOM 775 CD GLN A 50 8.596 6.308 -11.733 1.00 0.00 C ATOM 776 OE1 GLN A 50 9.354 6.430 -10.771 1.00 0.00 O ATOM 777 NE2 GLN A 50 8.304 7.348 -12.469 1.00 0.00 N ATOM 0 H GLN A 50 8.994 3.352 -14.757 1.00 0.00 H new ATOM 0 HA GLN A 50 10.697 4.898 -12.891 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.582 2.870 -12.038 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.540 3.903 -10.996 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.581 4.970 -13.090 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.159 4.730 -11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.676 7.248 -13.267 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.704 8.259 -12.246 1.00 0.00 H new ATOM 786 N ASN A 51 12.239 2.949 -12.690 1.00 0.00 N ATOM 787 CA ASN A 51 13.200 1.839 -12.667 1.00 0.00 C ATOM 788 C ASN A 51 13.856 1.723 -11.283 1.00 0.00 C ATOM 789 O ASN A 51 14.974 2.202 -11.075 1.00 0.00 O ATOM 790 CB ASN A 51 14.293 2.057 -13.726 1.00 0.00 C ATOM 791 CG ASN A 51 13.674 2.061 -15.123 1.00 0.00 C ATOM 792 OD1 ASN A 51 13.747 1.065 -15.842 1.00 0.00 O ATOM 793 ND2 ASN A 51 13.070 3.135 -15.560 1.00 0.00 N ATOM 0 H ASN A 51 12.613 3.841 -12.367 1.00 0.00 H new ATOM 0 HA ASN A 51 12.659 0.919 -12.887 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.805 3.002 -13.543 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.043 1.269 -13.654 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.661 3.146 -16.494 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.008 3.962 -14.967 1.00 0.00 H new ATOM 800 N PRO A 52 13.166 1.088 -10.323 1.00 0.00 N ATOM 801 CA PRO A 52 13.693 0.915 -8.953 1.00 0.00 C ATOM 802 C PRO A 52 14.617 -0.305 -8.819 1.00 0.00 C ATOM 803 O PRO A 52 15.137 -0.821 -9.810 1.00 0.00 O ATOM 804 CB PRO A 52 12.413 0.718 -8.146 1.00 0.00 C ATOM 805 CG PRO A 52 11.357 0.185 -9.106 1.00 0.00 C ATOM 806 CD PRO A 52 11.822 0.509 -10.533 1.00 0.00 C ATOM 0 HA PRO A 52 14.310 1.753 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.578 0.018 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.089 1.659 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.232 -0.890 -8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.389 0.645 -8.905 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.860 -0.384 -11.157 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.152 1.214 -11.025 1.00 0.00 H new ATOM 814 N THR A 53 14.805 -0.757 -7.575 1.00 0.00 N ATOM 815 CA THR A 53 15.659 -1.918 -7.293 1.00 0.00 C ATOM 816 C THR A 53 14.776 -3.130 -6.956 1.00 0.00 C ATOM 817 O THR A 53 13.553 -2.998 -6.880 1.00 0.00 O ATOM 818 CB THR A 53 16.601 -1.607 -6.108 1.00 0.00 C ATOM 819 OG1 THR A 53 15.922 -1.834 -4.878 1.00 0.00 O ATOM 820 CG2 THR A 53 17.055 -0.146 -6.168 1.00 0.00 C ATOM 0 H THR A 53 14.379 -0.338 -6.748 1.00 0.00 H new ATOM 0 HA THR A 53 16.264 -2.143 -8.172 1.00 0.00 H new ATOM 0 HB THR A 53 17.471 -2.260 -6.172 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.524 -1.637 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.718 0.064 -5.329 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.586 0.032 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.185 0.508 -6.115 1.00 0.00 H new ATOM 828 N PRO A 54 15.366 -4.317 -6.732 1.00 0.00 N ATOM 829 CA PRO A 54 14.578 -5.519 -6.387 1.00 0.00 C ATOM 830 C PRO A 54 14.067 -5.476 -4.945 1.00 0.00 C ATOM 831 O PRO A 54 13.037 -6.072 -4.623 1.00 0.00 O ATOM 832 CB PRO A 54 15.578 -6.649 -6.602 1.00 0.00 C ATOM 833 CG PRO A 54 16.967 -6.038 -6.486 1.00 0.00 C ATOM 834 CD PRO A 54 16.829 -4.542 -6.796 1.00 0.00 C ATOM 0 HA PRO A 54 13.674 -5.625 -6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.438 -7.435 -5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.438 -7.107 -7.581 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.372 -6.188 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.657 -6.514 -7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.363 -3.929 -6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.232 -4.295 -7.778 1.00 0.00 H new ATOM 842 N GLU A 55 14.783 -4.735 -4.092 1.00 0.00 N ATOM 843 CA GLU A 55 14.381 -4.586 -2.695 1.00 0.00 C ATOM 844 C GLU A 55 13.252 -3.560 -2.597 1.00 0.00 C ATOM 845 O GLU A 55 12.283 -3.756 -1.860 1.00 0.00 O ATOM 846 CB GLU A 55 15.560 -4.121 -1.834 1.00 0.00 C ATOM 847 CG GLU A 55 16.524 -5.290 -1.609 1.00 0.00 C ATOM 848 CD GLU A 55 17.451 -4.973 -0.439 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.084 -5.279 0.685 1.00 0.00 O ATOM 850 OE2 GLU A 55 18.517 -4.429 -0.682 1.00 0.00 O ATOM 0 H GLU A 55 15.635 -4.235 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 55 14.041 -5.555 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.079 -3.298 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.199 -3.745 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.963 -6.202 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.109 -5.470 -2.511 1.00 0.00 H new ATOM 857 N GLU A 56 13.384 -2.466 -3.363 1.00 0.00 N ATOM 858 CA GLU A 56 12.367 -1.413 -3.371 1.00 0.00 C ATOM 859 C GLU A 56 11.116 -1.878 -4.119 1.00 0.00 C ATOM 860 O GLU A 56 9.995 -1.559 -3.724 1.00 0.00 O ATOM 861 CB GLU A 56 12.909 -0.143 -4.035 1.00 0.00 C ATOM 862 CG GLU A 56 12.287 1.089 -3.369 1.00 0.00 C ATOM 863 CD GLU A 56 13.156 2.312 -3.643 1.00 0.00 C ATOM 864 OE1 GLU A 56 12.982 2.916 -4.689 1.00 0.00 O ATOM 865 OE2 GLU A 56 13.983 2.628 -2.803 1.00 0.00 O ATOM 0 H GLU A 56 14.179 -2.292 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 56 12.106 -1.194 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.995 -0.108 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.677 -0.150 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.280 1.253 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.197 0.928 -2.295 1.00 0.00 H new ATOM 872 N LEU A 57 11.323 -2.647 -5.198 1.00 0.00 N ATOM 873 CA LEU A 57 10.219 -3.171 -5.993 1.00 0.00 C ATOM 874 C LEU A 57 9.256 -3.951 -5.095 1.00 0.00 C ATOM 875 O LEU A 57 8.041 -3.745 -5.141 1.00 0.00 O ATOM 876 CB LEU A 57 10.781 -4.080 -7.100 1.00 0.00 C ATOM 877 CG LEU A 57 9.812 -5.085 -7.737 1.00 0.00 C ATOM 878 CD1 LEU A 57 9.615 -6.277 -6.797 1.00 0.00 C ATOM 879 CD2 LEU A 57 8.467 -4.407 -8.015 1.00 0.00 C ATOM 0 H LEU A 57 12.247 -2.916 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 57 9.671 -2.348 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.178 -3.444 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.622 -4.636 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 57 10.229 -5.440 -8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.926 -6.989 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.574 -6.763 -6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.204 -5.929 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.784 -5.126 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.043 -4.042 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.616 -3.570 -8.697 1.00 0.00 H new ATOM 891 N GLN A 58 9.818 -4.837 -4.266 1.00 0.00 N ATOM 892 CA GLN A 58 9.002 -5.638 -3.349 1.00 0.00 C ATOM 893 C GLN A 58 8.444 -4.767 -2.221 1.00 0.00 C ATOM 894 O GLN A 58 7.333 -5.001 -1.743 1.00 0.00 O ATOM 895 CB GLN A 58 9.820 -6.785 -2.742 1.00 0.00 C ATOM 896 CG GLN A 58 9.244 -8.132 -3.201 1.00 0.00 C ATOM 897 CD GLN A 58 7.773 -8.240 -2.789 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.450 -8.208 -1.600 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.855 -8.368 -3.711 1.00 0.00 N ATOM 0 H GLN A 58 10.821 -5.016 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 58 8.177 -6.056 -3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.863 -6.702 -3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.800 -6.722 -1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.335 -8.226 -4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.815 -8.950 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.121 -8.395 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.873 -8.441 -3.446 1.00 0.00 H new ATOM 908 N GLU A 59 9.222 -3.757 -1.807 1.00 0.00 N ATOM 909 CA GLU A 59 8.791 -2.849 -0.738 1.00 0.00 C ATOM 910 C GLU A 59 7.478 -2.158 -1.115 1.00 0.00 C ATOM 911 O GLU A 59 6.560 -2.064 -0.299 1.00 0.00 O ATOM 912 CB GLU A 59 9.853 -1.771 -0.482 1.00 0.00 C ATOM 913 CG GLU A 59 10.832 -2.249 0.593 1.00 0.00 C ATOM 914 CD GLU A 59 12.056 -1.337 0.608 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.965 -0.267 1.186 1.00 0.00 O ATOM 916 OE2 GLU A 59 13.066 -1.723 0.042 1.00 0.00 O ATOM 0 H GLU A 59 10.144 -3.550 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 59 8.648 -3.446 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.391 -1.552 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.374 -0.845 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.348 -2.242 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.134 -3.277 0.394 1.00 0.00 H new ATOM 923 N MET A 60 7.400 -1.683 -2.365 1.00 0.00 N ATOM 924 CA MET A 60 6.193 -1.004 -2.848 1.00 0.00 C ATOM 925 C MET A 60 4.998 -1.947 -2.797 1.00 0.00 C ATOM 926 O MET A 60 3.924 -1.580 -2.324 1.00 0.00 O ATOM 927 CB MET A 60 6.375 -0.523 -4.294 1.00 0.00 C ATOM 928 CG MET A 60 7.570 0.428 -4.379 1.00 0.00 C ATOM 929 SD MET A 60 7.303 1.623 -5.714 1.00 0.00 S ATOM 930 CE MET A 60 6.227 2.759 -4.802 1.00 0.00 C ATOM 0 H MET A 60 8.150 -1.755 -3.053 1.00 0.00 H new ATOM 0 HA MET A 60 6.018 -0.145 -2.200 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.531 -1.377 -4.954 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.472 -0.017 -4.635 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.700 0.950 -3.431 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.485 -0.137 -4.560 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.447 3.132 -5.465 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.770 2.233 -3.964 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.816 3.596 -4.427 1.00 0.00 H new ATOM 940 N ILE A 61 5.210 -3.165 -3.290 1.00 0.00 N ATOM 941 CA ILE A 61 4.153 -4.183 -3.311 1.00 0.00 C ATOM 942 C ILE A 61 3.692 -4.520 -1.891 1.00 0.00 C ATOM 943 O ILE A 61 2.508 -4.438 -1.581 1.00 0.00 O ATOM 944 CB ILE A 61 4.650 -5.465 -3.994 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.064 -5.146 -5.434 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.531 -6.511 -4.006 1.00 0.00 C ATOM 947 CD1 ILE A 61 6.116 -6.150 -5.905 1.00 0.00 C ATOM 0 H ILE A 61 6.100 -3.474 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 61 3.313 -3.774 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 61 5.506 -5.858 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.194 -5.183 -6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.463 -4.133 -5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.887 -7.419 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.235 -6.739 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.673 -6.120 -4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.407 -5.919 -6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.991 -6.091 -5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.702 -7.157 -5.864 1.00 0.00 H new ATOM 959 N ASP A 62 4.644 -4.903 -1.037 1.00 0.00 N ATOM 960 CA ASP A 62 4.331 -5.262 0.352 1.00 0.00 C ATOM 961 C ASP A 62 3.549 -4.151 1.069 1.00 0.00 C ATOM 962 O ASP A 62 2.789 -4.422 2.000 1.00 0.00 O ATOM 963 CB ASP A 62 5.622 -5.538 1.132 1.00 0.00 C ATOM 964 CG ASP A 62 5.344 -6.545 2.245 1.00 0.00 C ATOM 965 OD1 ASP A 62 5.399 -7.733 1.972 1.00 0.00 O ATOM 966 OD2 ASP A 62 5.082 -6.111 3.357 1.00 0.00 O ATOM 0 H ASP A 62 5.632 -4.973 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 62 3.710 -6.157 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.388 -5.925 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.008 -4.611 1.555 1.00 0.00 H new ATOM 971 N GLU A 63 3.754 -2.901 0.640 1.00 0.00 N ATOM 972 CA GLU A 63 3.075 -1.762 1.265 1.00 0.00 C ATOM 973 C GLU A 63 1.713 -1.478 0.619 1.00 0.00 C ATOM 974 O GLU A 63 0.717 -1.285 1.321 1.00 0.00 O ATOM 975 CB GLU A 63 3.942 -0.504 1.153 1.00 0.00 C ATOM 976 CG GLU A 63 5.040 -0.534 2.221 1.00 0.00 C ATOM 977 CD GLU A 63 6.100 0.514 1.894 1.00 0.00 C ATOM 978 OE1 GLU A 63 5.823 1.689 2.080 1.00 0.00 O ATOM 979 OE2 GLU A 63 7.176 0.129 1.464 1.00 0.00 O ATOM 0 H GLU A 63 4.377 -2.654 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 63 2.915 -2.023 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.389 -0.446 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.325 0.386 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.611 -0.338 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.494 -1.524 2.263 1.00 0.00 H new ATOM 986 N VAL A 64 1.680 -1.427 -0.718 1.00 0.00 N ATOM 987 CA VAL A 64 0.434 -1.132 -1.440 1.00 0.00 C ATOM 988 C VAL A 64 -0.546 -2.312 -1.402 1.00 0.00 C ATOM 989 O VAL A 64 -1.754 -2.116 -1.254 1.00 0.00 O ATOM 990 CB VAL A 64 0.734 -0.757 -2.902 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.331 -1.956 -3.645 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.561 -0.319 -3.594 1.00 0.00 C ATOM 0 H VAL A 64 2.491 -1.584 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.036 -0.288 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 64 1.453 0.062 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.539 -1.677 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.257 -2.261 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.622 -2.784 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.348 -0.053 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.281 -1.137 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.976 0.545 -3.076 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.022 -3.534 -1.541 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.867 -4.726 -1.522 1.00 0.00 C ATOM 1004 C ASP A 65 -1.409 -4.957 -0.112 1.00 0.00 C ATOM 1005 O ASP A 65 -0.674 -5.354 0.796 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.070 -5.957 -1.978 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.839 -6.700 -3.065 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.732 -7.459 -2.724 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.522 -6.501 -4.226 1.00 0.00 O ATOM 0 H ASP A 65 0.973 -3.720 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.699 -4.572 -2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.905 -5.650 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.110 -6.619 -1.131 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.707 -4.690 0.061 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.358 -4.857 1.367 1.00 0.00 C ATOM 1016 C GLU A 66 -3.357 -6.328 1.777 1.00 0.00 C ATOM 1017 O GLU A 66 -3.008 -6.673 2.907 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.810 -4.361 1.322 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.851 -2.927 0.789 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.287 -2.409 0.824 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.017 -2.679 -0.116 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.635 -1.749 1.790 1.00 0.00 O ATOM 0 H GLU A 66 -3.325 -4.360 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.797 -4.269 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.407 -5.013 0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.249 -4.401 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.208 -2.286 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.467 -2.896 -0.231 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.753 -7.181 0.837 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.807 -8.624 1.084 1.00 0.00 C ATOM 1031 C ASP A 67 -2.424 -9.264 0.930 1.00 0.00 C ATOM 1032 O ASP A 67 -2.069 -10.178 1.678 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.795 -9.312 0.127 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.623 -8.776 -1.296 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.180 -7.731 -1.591 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.938 -9.418 -2.069 1.00 0.00 O ATOM 0 H ASP A 67 -4.041 -6.902 -0.101 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.149 -8.762 2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.631 -10.390 0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.817 -9.141 0.465 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.650 -8.782 -0.048 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.312 -9.322 -0.292 1.00 0.00 C ATOM 1043 C GLY A 68 -0.403 -10.681 -0.979 1.00 0.00 C ATOM 1044 O GLY A 68 0.242 -11.646 -0.564 1.00 0.00 O ATOM 0 H GLY A 68 -1.925 -8.027 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.258 -8.631 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.225 -9.420 0.651 1.00 0.00 H new ATOM 1048 N SER A 69 -1.221 -10.743 -2.031 1.00 0.00 N ATOM 1049 CA SER A 69 -1.413 -11.990 -2.781 1.00 0.00 C ATOM 1050 C SER A 69 -0.382 -12.154 -3.909 1.00 0.00 C ATOM 1051 O SER A 69 -0.499 -13.069 -4.729 1.00 0.00 O ATOM 1052 CB SER A 69 -2.815 -12.016 -3.396 1.00 0.00 C ATOM 1053 OG SER A 69 -2.986 -10.875 -4.230 1.00 0.00 O ATOM 0 H SER A 69 -1.759 -9.951 -2.383 1.00 0.00 H new ATOM 0 HA SER A 69 -1.284 -12.810 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.953 -12.928 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.569 -12.022 -2.609 1.00 0.00 H new ATOM 0 HG SER A 69 -3.343 -10.132 -3.699 1.00 0.00 H new ATOM 1059 N GLY A 70 0.617 -11.262 -3.965 1.00 0.00 N ATOM 1060 CA GLY A 70 1.628 -11.331 -5.018 1.00 0.00 C ATOM 1061 C GLY A 70 1.043 -10.871 -6.356 1.00 0.00 C ATOM 1062 O GLY A 70 1.558 -11.216 -7.421 1.00 0.00 O ATOM 0 H GLY A 70 0.742 -10.497 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.480 -10.705 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.998 -12.352 -5.108 1.00 0.00 H new ATOM 1066 N THR A 71 -0.047 -10.091 -6.284 1.00 0.00 N ATOM 1067 CA THR A 71 -0.707 -9.588 -7.489 1.00 0.00 C ATOM 1068 C THR A 71 -1.282 -8.196 -7.231 1.00 0.00 C ATOM 1069 O THR A 71 -1.996 -7.981 -6.248 1.00 0.00 O ATOM 1070 CB THR A 71 -1.845 -10.528 -7.918 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.891 -10.486 -6.956 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.322 -11.961 -8.029 1.00 0.00 C ATOM 0 H THR A 71 -0.484 -9.799 -5.410 1.00 0.00 H new ATOM 0 HA THR A 71 0.036 -9.538 -8.285 1.00 0.00 H new ATOM 0 HB THR A 71 -2.225 -10.204 -8.887 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.527 -10.684 -6.068 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.134 -12.622 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.524 -12.001 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.935 -12.283 -7.062 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.969 -7.254 -8.122 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.470 -5.889 -7.972 1.00 0.00 C ATOM 1082 C VAL A 72 -2.796 -5.729 -8.703 1.00 0.00 C ATOM 1083 O VAL A 72 -2.863 -5.833 -9.929 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.486 -4.853 -8.533 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.845 -3.467 -7.988 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.947 -5.197 -8.121 1.00 0.00 C ATOM 0 H VAL A 72 -0.381 -7.407 -8.941 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.597 -5.716 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.553 -4.858 -9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.148 -2.728 -8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.859 -3.208 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.783 -3.477 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.631 -4.452 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.021 -5.203 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.211 -6.181 -8.508 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.845 -5.441 -7.939 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.169 -5.228 -8.520 1.00 0.00 C ATOM 1098 C ASP A 73 -5.236 -3.804 -9.057 1.00 0.00 C ATOM 1099 O ASP A 73 -4.380 -2.984 -8.733 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.262 -5.422 -7.464 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.273 -6.874 -6.994 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -6.967 -7.668 -7.607 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -5.587 -7.171 -6.028 1.00 0.00 O ATOM 0 H ASP A 73 -3.807 -5.350 -6.924 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.331 -5.950 -9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.086 -4.757 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.234 -5.157 -7.880 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.241 -3.503 -9.881 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.356 -2.151 -10.432 1.00 0.00 C ATOM 1110 C PHE A 74 -6.456 -1.119 -9.305 1.00 0.00 C ATOM 1111 O PHE A 74 -5.927 -0.011 -9.419 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.569 -2.019 -11.357 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.433 -0.755 -12.167 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.226 -0.475 -12.819 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.503 0.137 -12.261 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.091 0.698 -13.564 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.369 1.312 -13.008 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.163 1.593 -13.658 1.00 0.00 C ATOM 0 H PHE A 74 -6.968 -4.155 -10.175 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.457 -1.963 -11.018 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.635 -2.884 -12.017 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.488 -1.994 -10.771 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.400 -1.166 -12.746 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.433 -0.080 -11.757 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.160 0.915 -14.067 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.197 2.002 -13.083 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.059 2.501 -14.233 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.116 -1.504 -8.206 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.252 -0.613 -7.052 1.00 0.00 C ATOM 1130 C ASP A 75 -5.879 -0.364 -6.424 1.00 0.00 C ATOM 1131 O ASP A 75 -5.530 0.771 -6.097 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.182 -1.228 -5.997 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.588 -1.374 -6.573 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.342 -0.417 -6.498 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.890 -2.442 -7.081 1.00 0.00 O ATOM 0 H ASP A 75 -7.559 -2.416 -8.093 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.680 0.329 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.803 -2.202 -5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.206 -0.598 -5.108 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.098 -1.444 -6.282 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.749 -1.347 -5.714 1.00 0.00 C ATOM 1142 C GLU A 76 -2.798 -0.673 -6.714 1.00 0.00 C ATOM 1143 O GLU A 76 -1.826 -0.023 -6.325 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.205 -2.743 -5.365 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.205 -3.487 -4.465 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.723 -4.918 -4.199 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.232 -5.547 -5.122 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.859 -5.369 -3.073 1.00 0.00 O ATOM 0 H GLU A 76 -5.376 -2.388 -6.551 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.809 -0.748 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.031 -3.313 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.245 -2.652 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.321 -2.954 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.185 -3.509 -4.941 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.098 -0.841 -8.010 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.284 -0.262 -9.081 1.00 0.00 C ATOM 1157 C PHE A 77 -2.325 1.267 -9.034 1.00 0.00 C ATOM 1158 O PHE A 77 -1.283 1.924 -8.984 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.809 -0.735 -10.447 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.688 -0.889 -11.455 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.348 -1.007 -11.048 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.008 -0.925 -12.817 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.660 -1.156 -12.004 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.996 -1.078 -13.770 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.336 -1.193 -13.365 1.00 0.00 C ATOM 0 H PHE A 77 -3.902 -1.376 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.255 -0.592 -8.940 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.325 -1.688 -10.329 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.541 -0.020 -10.823 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.098 -0.983 -9.998 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.037 -0.835 -13.132 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.690 -1.243 -11.692 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.245 -1.107 -14.821 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.116 -1.311 -14.103 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.541 1.825 -9.052 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.713 3.282 -9.010 1.00 0.00 C ATOM 1177 C LEU A 78 -3.315 3.832 -7.637 1.00 0.00 C ATOM 1178 O LEU A 78 -2.833 4.960 -7.528 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.165 3.667 -9.311 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.498 3.874 -10.796 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.865 2.763 -11.637 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.017 3.850 -10.985 1.00 0.00 C ATOM 0 H LEU A 78 -4.412 1.296 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.065 3.716 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.819 2.890 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.399 4.585 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.101 4.836 -11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.107 2.919 -12.688 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.783 2.780 -11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.253 1.797 -11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.255 3.997 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.410 2.888 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.470 4.648 -10.396 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.512 3.015 -6.594 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.158 3.419 -5.231 1.00 0.00 C ATOM 1196 C VAL A 79 -1.649 3.687 -5.144 1.00 0.00 C ATOM 1197 O VAL A 79 -1.221 4.700 -4.600 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.569 2.319 -4.231 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.598 2.269 -3.049 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.979 2.608 -3.713 1.00 0.00 C ATOM 0 H VAL A 79 -3.911 2.079 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.692 4.335 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.546 1.357 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.908 1.486 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.593 2.055 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.601 3.230 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.273 1.832 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.992 3.577 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.678 2.621 -4.549 1.00 0.00 H new ATOM 1210 N MET A 80 -0.855 2.764 -5.696 1.00 0.00 N ATOM 1211 CA MET A 80 0.610 2.898 -5.692 1.00 0.00 C ATOM 1212 C MET A 80 1.047 4.283 -6.192 1.00 0.00 C ATOM 1213 O MET A 80 2.073 4.812 -5.759 1.00 0.00 O ATOM 1214 CB MET A 80 1.245 1.831 -6.592 1.00 0.00 C ATOM 1215 CG MET A 80 2.358 1.109 -5.830 1.00 0.00 C ATOM 1216 SD MET A 80 3.236 -0.007 -6.953 1.00 0.00 S ATOM 1217 CE MET A 80 1.954 -1.282 -7.066 1.00 0.00 C ATOM 0 H MET A 80 -1.198 1.918 -6.150 1.00 0.00 H new ATOM 0 HA MET A 80 0.944 2.769 -4.663 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.488 1.116 -6.914 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.649 2.294 -7.492 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.052 1.834 -5.406 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.937 0.546 -4.997 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.288 -2.181 -6.548 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.037 -0.917 -6.604 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.765 -1.516 -8.114 1.00 0.00 H new ATOM 1227 N MET A 81 0.255 4.860 -7.104 1.00 0.00 N ATOM 1228 CA MET A 81 0.561 6.181 -7.662 1.00 0.00 C ATOM 1229 C MET A 81 0.451 7.270 -6.591 1.00 0.00 C ATOM 1230 O MET A 81 1.306 8.150 -6.496 1.00 0.00 O ATOM 1231 CB MET A 81 -0.406 6.511 -8.803 1.00 0.00 C ATOM 1232 CG MET A 81 0.239 7.520 -9.756 1.00 0.00 C ATOM 1233 SD MET A 81 -1.013 8.702 -10.323 1.00 0.00 S ATOM 1234 CE MET A 81 -2.136 7.510 -11.096 1.00 0.00 C ATOM 0 H MET A 81 -0.597 4.435 -7.469 1.00 0.00 H new ATOM 0 HA MET A 81 1.584 6.152 -8.038 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.667 5.602 -9.344 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.333 6.919 -8.400 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.049 8.046 -9.251 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.678 7.002 -10.609 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.167 7.790 -10.882 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.977 7.506 -12.174 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.941 6.515 -10.697 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.616 7.202 -5.789 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.834 8.191 -4.728 1.00 0.00 C ATOM 1246 C VAL A 82 0.034 7.888 -3.501 1.00 0.00 C ATOM 1247 O VAL A 82 0.432 8.797 -2.774 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.311 8.230 -4.306 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.175 8.628 -5.505 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.753 6.853 -3.799 1.00 0.00 C ATOM 0 H VAL A 82 -1.335 6.481 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.551 9.163 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.430 8.960 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.223 8.656 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.873 9.613 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.045 7.899 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.801 6.894 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.628 6.116 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.144 6.569 -2.941 1.00 0.00 H new ATOM 1260 N ARG A 83 0.321 6.600 -3.283 1.00 0.00 N ATOM 1261 CA ARG A 83 1.146 6.180 -2.145 1.00 0.00 C ATOM 1262 C ARG A 83 2.555 6.767 -2.253 1.00 0.00 C ATOM 1263 O ARG A 83 3.124 7.227 -1.264 1.00 0.00 O ATOM 1264 CB ARG A 83 1.256 4.652 -2.088 1.00 0.00 C ATOM 1265 CG ARG A 83 -0.122 4.040 -1.822 1.00 0.00 C ATOM 1266 CD ARG A 83 0.001 2.905 -0.803 1.00 0.00 C ATOM 1267 NE ARG A 83 -1.245 2.750 -0.048 1.00 0.00 N ATOM 1268 CZ ARG A 83 -1.303 2.032 1.081 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -0.231 1.441 1.556 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -2.442 1.917 1.715 1.00 0.00 N ATOM 0 H ARG A 83 -0.003 5.835 -3.875 1.00 0.00 H new ATOM 0 HA ARG A 83 0.664 6.546 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.657 4.272 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.952 4.358 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.803 4.804 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.547 3.662 -2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.240 1.973 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.824 3.112 -0.118 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.092 3.202 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.659 1.526 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.288 0.897 2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.278 2.373 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.494 1.372 2.575 1.00 0.00 H new