USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 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 18 THR OG1 : rot -160:sc= -2.17 USER MOD Set 1.2: A 21 MET CE :methyl -179:sc= -1.75 (180deg=-1.92) USER MOD Single : A 4 SER OG : rot 150:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.025) USER MOD Single : A 9 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 15 THR OG1 : rot 92:sc= 0.0842 USER MOD Single : A 22 MET CE :methyl 142:sc= -2.76 (180deg=-3.62!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.435 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 160:sc= -2.29 (180deg=-2.65) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 46 ASN : amide:sc= -2.97 K(o=-3,f=-12!) USER MOD Single : A 53 THR OG1 : rot 130:sc= 1.22 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 56 MET CE :methyl -167:sc= 0 (180deg=-0.132) USER MOD Single : A 59 MET CE :methyl 163:sc= 0 (180deg=-0.418) USER MOD Single : A 61 LYS NZ :NH3+ -110:sc= -0.0109 (180deg=-0.796) USER MOD Single : A 63 TYR OH : rot 110:sc= -1.4 USER MOD ----------------------------------------------------------------- ATOM 32 N ALA A 3 -9.696 -9.136 -3.460 1.00 0.00 N ATOM 33 CA ALA A 3 -8.988 -8.428 -2.396 1.00 0.00 C ATOM 34 C ALA A 3 -7.835 -7.614 -2.974 1.00 0.00 C ATOM 35 O ALA A 3 -6.860 -8.164 -3.485 1.00 0.00 O ATOM 36 CB ALA A 3 -8.434 -9.413 -1.363 1.00 0.00 C ATOM 0 HA ALA A 3 -9.699 -7.760 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.911 -8.864 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.255 -9.978 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.741 -10.099 -1.850 1.00 0.00 H new ATOM 42 N SER A 4 -7.959 -6.293 -2.883 1.00 0.00 N ATOM 43 CA SER A 4 -6.924 -5.402 -3.399 1.00 0.00 C ATOM 44 C SER A 4 -5.942 -5.034 -2.290 1.00 0.00 C ATOM 45 O SER A 4 -5.981 -5.595 -1.196 1.00 0.00 O ATOM 46 CB SER A 4 -7.549 -4.123 -3.957 1.00 0.00 C ATOM 47 OG SER A 4 -8.642 -4.464 -4.799 1.00 0.00 O ATOM 0 H SER A 4 -8.758 -5.819 -2.461 1.00 0.00 H new ATOM 0 HA SER A 4 -6.395 -5.923 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.889 -3.484 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.806 -3.556 -4.518 1.00 0.00 H new ATOM 0 HG SER A 4 -9.311 -3.748 -4.772 1.00 0.00 H new ATOM 53 N VAL A 5 -5.059 -4.084 -2.586 1.00 0.00 N ATOM 54 CA VAL A 5 -4.069 -3.646 -1.606 1.00 0.00 C ATOM 55 C VAL A 5 -4.548 -2.379 -0.904 1.00 0.00 C ATOM 56 O VAL A 5 -5.263 -1.564 -1.485 1.00 0.00 O ATOM 57 CB VAL A 5 -2.723 -3.365 -2.282 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.653 -3.143 -1.212 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.326 -4.561 -3.154 1.00 0.00 C ATOM 0 H VAL A 5 -5.008 -3.607 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.942 -4.445 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.810 -2.474 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.695 -2.943 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.932 -2.293 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.569 -4.035 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.368 -4.359 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.240 -5.452 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.087 -4.724 -3.917 1.00 0.00 H new ATOM 69 N VAL A 6 -4.145 -2.225 0.354 1.00 0.00 N ATOM 70 CA VAL A 6 -4.538 -1.055 1.131 1.00 0.00 C ATOM 71 C VAL A 6 -3.421 -0.665 2.096 1.00 0.00 C ATOM 72 O VAL A 6 -2.653 -1.511 2.556 1.00 0.00 O ATOM 73 CB VAL A 6 -5.815 -1.345 1.926 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.275 -0.077 2.650 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.915 -1.804 0.969 1.00 0.00 C ATOM 0 H VAL A 6 -3.552 -2.889 0.853 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.725 -0.233 0.440 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.612 -2.126 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.183 -0.289 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.493 0.256 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.476 0.707 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.825 -2.011 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.112 -1.020 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.594 -2.709 0.453 1.00 0.00 H new ATOM 85 N ALA A 7 -3.344 0.627 2.399 1.00 0.00 N ATOM 86 CA ALA A 7 -2.322 1.127 3.314 1.00 0.00 C ATOM 87 C ALA A 7 -2.649 0.716 4.746 1.00 0.00 C ATOM 88 O ALA A 7 -3.715 1.037 5.272 1.00 0.00 O ATOM 89 CB ALA A 7 -2.235 2.651 3.241 1.00 0.00 C ATOM 0 H ALA A 7 -3.970 1.342 2.029 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.365 0.697 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.468 3.005 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.978 2.953 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.197 3.084 3.515 1.00 0.00 H new ATOM 95 N ASN A 8 -1.718 0.001 5.369 1.00 0.00 N ATOM 96 CA ASN A 8 -1.912 -0.455 6.743 1.00 0.00 C ATOM 97 C ASN A 8 -1.460 0.606 7.751 1.00 0.00 C ATOM 98 O ASN A 8 -1.829 0.555 8.924 1.00 0.00 O ATOM 99 CB ASN A 8 -1.126 -1.742 6.994 1.00 0.00 C ATOM 100 CG ASN A 8 -1.847 -2.584 8.040 1.00 0.00 C ATOM 101 OD1 ASN A 8 -1.267 -2.944 9.064 1.00 0.00 O ATOM 102 ND2 ASN A 8 -3.091 -2.925 7.841 1.00 0.00 N ATOM 0 H ASN A 8 -0.829 -0.274 4.950 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.978 -0.639 6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.024 -2.305 6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.118 -1.504 7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.582 -3.490 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.572 -2.627 6.992 1.00 0.00 H new ATOM 109 N GLN A 9 -0.655 1.567 7.292 1.00 0.00 N ATOM 110 CA GLN A 9 -0.169 2.621 8.179 1.00 0.00 C ATOM 111 C GLN A 9 0.046 3.917 7.404 1.00 0.00 C ATOM 112 O GLN A 9 -0.089 3.958 6.180 1.00 0.00 O ATOM 113 CB GLN A 9 1.151 2.205 8.831 1.00 0.00 C ATOM 114 CG GLN A 9 0.863 1.383 10.088 1.00 0.00 C ATOM 115 CD GLN A 9 2.172 1.080 10.809 1.00 0.00 C ATOM 116 OE1 GLN A 9 2.270 1.240 12.026 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.195 0.646 10.123 1.00 0.00 N ATOM 0 H GLN A 9 -0.331 1.636 6.327 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.921 2.782 8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.747 1.620 8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.736 3.088 9.087 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.191 1.931 10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.359 0.454 9.820 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.114 0.513 9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.075 0.440 10.595 1.00 0.00 H new ATOM 126 N LEU A 10 0.380 4.978 8.135 1.00 0.00 N ATOM 127 CA LEU A 10 0.609 6.280 7.515 1.00 0.00 C ATOM 128 C LEU A 10 1.881 6.261 6.673 1.00 0.00 C ATOM 129 O LEU A 10 2.991 6.370 7.193 1.00 0.00 O ATOM 130 CB LEU A 10 0.739 7.365 8.588 1.00 0.00 C ATOM 131 CG LEU A 10 0.766 8.743 7.925 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.598 9.037 7.297 1.00 0.00 C ATOM 133 CD2 LEU A 10 1.082 9.807 8.978 1.00 0.00 C ATOM 0 H LEU A 10 0.497 4.963 9.148 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.244 6.499 6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.096 7.302 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.650 7.211 9.167 1.00 0.00 H new ATOM 0 HG LEU A 10 1.532 8.758 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.577 10.019 6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.824 8.279 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.366 9.023 8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.102 10.790 8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.316 9.791 9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.054 9.599 9.425 1.00 0.00 H new ATOM 145 N ILE A 11 1.703 6.129 5.361 1.00 0.00 N ATOM 146 CA ILE A 11 2.839 6.103 4.445 1.00 0.00 C ATOM 147 C ILE A 11 3.172 7.531 3.982 1.00 0.00 C ATOM 148 O ILE A 11 2.347 8.173 3.332 1.00 0.00 O ATOM 149 CB ILE A 11 2.515 5.247 3.217 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.042 3.860 3.664 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.768 5.097 2.353 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.126 3.265 2.593 1.00 0.00 C ATOM 0 H ILE A 11 0.792 6.039 4.912 1.00 0.00 H new ATOM 0 HA ILE A 11 3.693 5.675 4.970 1.00 0.00 H new ATOM 0 HB ILE A 11 1.727 5.732 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.899 3.207 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.510 3.933 4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.537 4.488 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.107 6.081 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.555 4.615 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.789 2.278 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.263 3.915 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.673 3.177 1.654 1.00 0.00 H new ATOM 164 N PRO A 12 4.371 8.056 4.300 1.00 0.00 N ATOM 165 CA PRO A 12 4.748 9.421 3.885 1.00 0.00 C ATOM 166 C PRO A 12 5.253 9.479 2.446 1.00 0.00 C ATOM 167 O PRO A 12 5.861 8.533 1.947 1.00 0.00 O ATOM 168 CB PRO A 12 5.865 9.762 4.864 1.00 0.00 C ATOM 169 CG PRO A 12 6.455 8.443 5.349 1.00 0.00 C ATOM 170 CD PRO A 12 5.416 7.349 5.077 1.00 0.00 C ATOM 0 HA PRO A 12 3.905 10.112 3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.629 10.371 4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.479 10.342 5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.387 8.225 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.688 8.495 6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.844 6.519 4.514 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.017 6.934 6.003 1.00 0.00 H new ATOM 178 N ILE A 13 4.991 10.604 1.785 1.00 0.00 N ATOM 179 CA ILE A 13 5.420 10.783 0.401 1.00 0.00 C ATOM 180 C ILE A 13 6.946 10.703 0.301 1.00 0.00 C ATOM 181 O ILE A 13 7.662 10.959 1.269 1.00 0.00 O ATOM 182 CB ILE A 13 4.925 12.133 -0.141 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.286 12.247 -1.627 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.568 13.287 0.642 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.710 13.544 -2.203 1.00 0.00 C ATOM 0 H ILE A 13 4.488 11.398 2.181 1.00 0.00 H new ATOM 0 HA ILE A 13 4.988 9.984 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 13 3.843 12.191 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.369 12.233 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.893 11.390 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.209 14.238 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.300 13.206 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.652 13.237 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.969 13.620 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.625 13.540 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.125 14.397 -1.665 1.00 0.00 H new ATOM 197 N ASN A 14 7.432 10.343 -0.886 1.00 0.00 N ATOM 198 CA ASN A 14 8.872 10.229 -1.111 1.00 0.00 C ATOM 199 C ASN A 14 9.475 9.173 -0.189 1.00 0.00 C ATOM 200 O ASN A 14 10.618 9.289 0.251 1.00 0.00 O ATOM 201 CB ASN A 14 9.565 11.570 -0.855 1.00 0.00 C ATOM 202 CG ASN A 14 9.599 12.379 -2.147 1.00 0.00 C ATOM 203 OD1 ASN A 14 10.443 12.145 -3.012 1.00 0.00 O ATOM 204 ND2 ASN A 14 8.723 13.329 -2.332 1.00 0.00 N ATOM 0 H ASN A 14 6.856 10.127 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 14 9.026 9.935 -2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.034 12.124 -0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.579 11.404 -0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.738 13.876 -3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.023 13.524 -1.616 1.00 0.00 H new ATOM 211 N THR A 15 8.690 8.137 0.095 1.00 0.00 N ATOM 212 CA THR A 15 9.152 7.059 0.965 1.00 0.00 C ATOM 213 C THR A 15 8.819 5.702 0.354 1.00 0.00 C ATOM 214 O THR A 15 7.861 5.566 -0.408 1.00 0.00 O ATOM 215 CB THR A 15 8.493 7.160 2.343 1.00 0.00 C ATOM 216 OG1 THR A 15 8.506 8.514 2.773 1.00 0.00 O ATOM 217 CG2 THR A 15 9.263 6.296 3.343 1.00 0.00 C ATOM 0 H THR A 15 7.741 8.021 -0.260 1.00 0.00 H new ATOM 0 HA THR A 15 10.232 7.155 1.073 1.00 0.00 H new ATOM 0 HB THR A 15 7.463 6.808 2.282 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.677 8.955 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.793 6.368 4.324 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.252 5.258 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.294 6.645 3.408 1.00 0.00 H new ATOM 225 N ALA A 16 9.623 4.699 0.696 1.00 0.00 N ATOM 226 CA ALA A 16 9.408 3.352 0.175 1.00 0.00 C ATOM 227 C ALA A 16 8.382 2.608 1.026 1.00 0.00 C ATOM 228 O ALA A 16 8.399 2.688 2.254 1.00 0.00 O ATOM 229 CB ALA A 16 10.718 2.562 0.172 1.00 0.00 C ATOM 0 H ALA A 16 10.421 4.791 1.325 1.00 0.00 H new ATOM 0 HA ALA A 16 9.037 3.443 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.538 1.561 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.449 3.071 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.102 2.490 1.190 1.00 0.00 H new ATOM 235 N LEU A 17 7.489 1.886 0.356 1.00 0.00 N ATOM 236 CA LEU A 17 6.455 1.129 1.058 1.00 0.00 C ATOM 237 C LEU A 17 7.053 -0.115 1.704 1.00 0.00 C ATOM 238 O LEU A 17 8.220 -0.445 1.491 1.00 0.00 O ATOM 239 CB LEU A 17 5.351 0.701 0.087 1.00 0.00 C ATOM 240 CG LEU A 17 4.837 1.921 -0.678 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.050 1.459 -1.904 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.924 2.744 0.232 1.00 0.00 C ATOM 0 H LEU A 17 7.459 1.808 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 17 6.032 1.774 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.735 -0.043 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.533 0.232 0.634 1.00 0.00 H new ATOM 0 HG LEU A 17 5.681 2.533 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.683 2.328 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.699 0.871 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.206 0.848 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.557 3.614 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.080 2.132 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.484 3.073 1.107 1.00 0.00 H new ATOM 254 N THR A 18 6.237 -0.807 2.497 1.00 0.00 N ATOM 255 CA THR A 18 6.691 -2.019 3.169 1.00 0.00 C ATOM 256 C THR A 18 5.524 -2.980 3.375 1.00 0.00 C ATOM 257 O THR A 18 4.360 -2.596 3.267 1.00 0.00 O ATOM 258 CB THR A 18 7.308 -1.683 4.530 1.00 0.00 C ATOM 259 OG1 THR A 18 6.435 -0.818 5.241 1.00 0.00 O ATOM 260 CG2 THR A 18 8.658 -0.994 4.325 1.00 0.00 C ATOM 0 H THR A 18 5.268 -0.551 2.688 1.00 0.00 H new ATOM 0 HA THR A 18 7.445 -2.490 2.539 1.00 0.00 H new ATOM 0 HB THR A 18 7.455 -2.600 5.100 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.936 -0.353 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.096 -0.756 5.294 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.327 -1.659 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.515 -0.076 3.756 1.00 0.00 H new ATOM 268 N LEU A 19 5.851 -4.234 3.673 1.00 0.00 N ATOM 269 CA LEU A 19 4.821 -5.246 3.893 1.00 0.00 C ATOM 270 C LEU A 19 3.957 -4.876 5.095 1.00 0.00 C ATOM 271 O LEU A 19 2.768 -5.191 5.143 1.00 0.00 O ATOM 272 CB LEU A 19 5.460 -6.614 4.142 1.00 0.00 C ATOM 273 CG LEU A 19 5.857 -7.241 2.805 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.145 -6.591 2.298 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.085 -8.742 2.994 1.00 0.00 C ATOM 0 H LEU A 19 6.809 -4.572 3.767 1.00 0.00 H new ATOM 0 HA LEU A 19 4.199 -5.292 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.337 -6.507 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.760 -7.264 4.667 1.00 0.00 H new ATOM 0 HG LEU A 19 5.060 -7.082 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.428 -7.038 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.984 -5.521 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.943 -6.749 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.368 -9.190 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.882 -8.900 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.168 -9.207 3.355 1.00 0.00 H new ATOM 287 N VAL A 20 4.569 -4.203 6.066 1.00 0.00 N ATOM 288 CA VAL A 20 3.847 -3.794 7.269 1.00 0.00 C ATOM 289 C VAL A 20 2.764 -2.773 6.927 1.00 0.00 C ATOM 290 O VAL A 20 1.732 -2.700 7.594 1.00 0.00 O ATOM 291 CB VAL A 20 4.806 -3.183 8.293 1.00 0.00 C ATOM 292 CG1 VAL A 20 5.750 -4.266 8.818 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.627 -2.073 7.631 1.00 0.00 C ATOM 0 H VAL A 20 5.552 -3.931 6.045 1.00 0.00 H new ATOM 0 HA VAL A 20 3.383 -4.683 7.695 1.00 0.00 H new ATOM 0 HB VAL A 20 4.232 -2.766 9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.433 -3.831 9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.169 -5.057 9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.322 -4.683 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.309 -1.639 8.362 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.200 -2.489 6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.957 -1.299 7.256 1.00 0.00 H new ATOM 303 N MET A 21 3.010 -1.983 5.884 1.00 0.00 N ATOM 304 CA MET A 21 2.046 -0.966 5.467 1.00 0.00 C ATOM 305 C MET A 21 1.220 -1.464 4.283 1.00 0.00 C ATOM 306 O MET A 21 0.864 -0.696 3.388 1.00 0.00 O ATOM 307 CB MET A 21 2.765 0.325 5.067 1.00 0.00 C ATOM 308 CG MET A 21 3.707 0.758 6.194 1.00 0.00 C ATOM 309 SD MET A 21 3.826 2.565 6.228 1.00 0.00 S ATOM 310 CE MET A 21 5.072 2.732 4.926 1.00 0.00 C ATOM 0 H MET A 21 3.857 -2.025 5.318 1.00 0.00 H new ATOM 0 HA MET A 21 1.386 -0.766 6.311 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.329 0.169 4.147 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.037 1.111 4.865 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.338 0.390 7.151 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.694 0.321 6.044 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.315 3.786 4.788 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.971 2.186 5.211 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.681 2.325 3.994 1.00 0.00 H new ATOM 320 N MET A 22 0.918 -2.759 4.287 1.00 0.00 N ATOM 321 CA MET A 22 0.131 -3.349 3.207 1.00 0.00 C ATOM 322 C MET A 22 -0.687 -4.529 3.722 1.00 0.00 C ATOM 323 O MET A 22 -0.283 -5.227 4.653 1.00 0.00 O ATOM 324 CB MET A 22 1.045 -3.833 2.080 1.00 0.00 C ATOM 325 CG MET A 22 1.645 -2.625 1.355 1.00 0.00 C ATOM 326 SD MET A 22 1.952 -3.049 -0.378 1.00 0.00 S ATOM 327 CE MET A 22 3.205 -4.321 -0.083 1.00 0.00 C ATOM 0 H MET A 22 1.202 -3.414 5.016 1.00 0.00 H new ATOM 0 HA MET A 22 -0.541 -2.580 2.826 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.840 -4.459 2.485 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.481 -4.448 1.379 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.965 -1.776 1.417 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.575 -2.324 1.837 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.071 -5.136 -0.794 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.198 -3.890 -0.209 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.102 -4.705 0.932 1.00 0.00 H new ATOM 337 N ARG A 23 -1.845 -4.744 3.103 1.00 0.00 N ATOM 338 CA ARG A 23 -2.720 -5.845 3.501 1.00 0.00 C ATOM 339 C ARG A 23 -3.646 -6.229 2.351 1.00 0.00 C ATOM 340 O ARG A 23 -3.770 -5.503 1.365 1.00 0.00 O ATOM 341 CB ARG A 23 -3.566 -5.447 4.712 1.00 0.00 C ATOM 342 CG ARG A 23 -4.319 -4.150 4.410 1.00 0.00 C ATOM 343 CD ARG A 23 -5.370 -3.906 5.494 1.00 0.00 C ATOM 344 NE ARG A 23 -5.832 -2.521 5.462 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.475 -1.989 6.497 1.00 0.00 C ATOM 346 NH1 ARG A 23 -7.697 -2.362 6.768 1.00 0.00 N ATOM 347 NH2 ARG A 23 -5.885 -1.096 7.245 1.00 0.00 N ATOM 0 H ARG A 23 -2.197 -4.177 2.332 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.092 -6.697 3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.272 -6.242 4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.928 -5.314 5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.622 -3.313 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.797 -4.214 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.214 -4.580 5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.949 -4.132 6.474 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.659 -1.953 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.158 -3.061 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.191 -1.954 7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.930 -0.806 7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.379 -0.689 8.039 1.00 0.00 H new ATOM 361 N SER A 24 -4.294 -7.382 2.488 1.00 0.00 N ATOM 362 CA SER A 24 -5.208 -7.860 1.453 1.00 0.00 C ATOM 363 C SER A 24 -6.657 -7.620 1.867 1.00 0.00 C ATOM 364 O SER A 24 -7.272 -8.451 2.535 1.00 0.00 O ATOM 365 CB SER A 24 -5.002 -9.354 1.205 1.00 0.00 C ATOM 366 OG SER A 24 -5.852 -9.775 0.147 1.00 0.00 O ATOM 0 H SER A 24 -4.206 -7.998 3.296 1.00 0.00 H new ATOM 0 HA SER A 24 -4.996 -7.308 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.961 -9.552 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.222 -9.919 2.111 1.00 0.00 H new ATOM 0 HG SER A 24 -5.722 -10.732 -0.016 1.00 0.00 H new ATOM 372 N GLU A 25 -7.193 -6.473 1.460 1.00 0.00 N ATOM 373 CA GLU A 25 -8.574 -6.129 1.790 1.00 0.00 C ATOM 374 C GLU A 25 -9.349 -5.771 0.525 1.00 0.00 C ATOM 375 O GLU A 25 -8.829 -5.107 -0.370 1.00 0.00 O ATOM 376 CB GLU A 25 -8.615 -4.940 2.753 1.00 0.00 C ATOM 377 CG GLU A 25 -10.029 -4.791 3.320 1.00 0.00 C ATOM 378 CD GLU A 25 -10.156 -5.614 4.596 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.726 -6.756 4.586 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.681 -5.092 5.565 1.00 0.00 O ATOM 0 H GLU A 25 -6.699 -5.772 0.907 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.033 -6.996 2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.901 -5.089 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.322 -4.028 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.239 -3.742 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.763 -5.123 2.586 1.00 0.00 H new ATOM 387 N VAL A 26 -10.599 -6.222 0.465 1.00 0.00 N ATOM 388 CA VAL A 26 -11.443 -5.945 -0.695 1.00 0.00 C ATOM 389 C VAL A 26 -12.023 -4.538 -0.605 1.00 0.00 C ATOM 390 O VAL A 26 -12.567 -4.138 0.425 1.00 0.00 O ATOM 391 CB VAL A 26 -12.591 -6.956 -0.779 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.340 -6.773 -2.101 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.028 -8.378 -0.706 1.00 0.00 C ATOM 0 H VAL A 26 -11.047 -6.775 1.196 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.825 -6.027 -1.589 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.277 -6.793 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.156 -7.493 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.743 -5.762 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.654 -6.934 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.845 -9.096 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.341 -8.540 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.496 -8.511 0.236 1.00 0.00 H new ATOM 403 N VAL A 27 -11.903 -3.790 -1.699 1.00 0.00 N ATOM 404 CA VAL A 27 -12.419 -2.424 -1.736 1.00 0.00 C ATOM 405 C VAL A 27 -12.778 -2.029 -3.166 1.00 0.00 C ATOM 406 O VAL A 27 -12.656 -2.826 -4.096 1.00 0.00 O ATOM 407 CB VAL A 27 -11.377 -1.442 -1.195 1.00 0.00 C ATOM 408 CG1 VAL A 27 -11.131 -1.725 0.287 1.00 0.00 C ATOM 409 CG2 VAL A 27 -10.067 -1.610 -1.969 1.00 0.00 C ATOM 0 H VAL A 27 -11.458 -4.102 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.312 -2.385 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.743 -0.422 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.389 -1.026 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.063 -1.606 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.765 -2.745 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.325 -0.911 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.702 -2.630 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.241 -1.409 -3.026 1.00 0.00 H new ATOM 419 N THR A 28 -13.220 -0.785 -3.329 1.00 0.00 N ATOM 420 CA THR A 28 -13.592 -0.287 -4.650 1.00 0.00 C ATOM 421 C THR A 28 -13.048 1.134 -4.856 1.00 0.00 C ATOM 422 O THR A 28 -13.083 1.948 -3.933 1.00 0.00 O ATOM 423 CB THR A 28 -15.115 -0.264 -4.804 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.455 0.336 -6.046 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.735 0.539 -3.660 1.00 0.00 C ATOM 0 H THR A 28 -13.329 -0.110 -2.572 1.00 0.00 H new ATOM 0 HA THR A 28 -13.162 -0.955 -5.397 1.00 0.00 H new ATOM 0 HB THR A 28 -15.498 -1.284 -4.776 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.430 0.350 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.819 0.554 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.475 0.076 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.354 1.560 -3.684 1.00 0.00 H new ATOM 433 N PRO A 29 -12.530 1.457 -6.057 1.00 0.00 N ATOM 434 CA PRO A 29 -12.457 0.526 -7.209 1.00 0.00 C ATOM 435 C PRO A 29 -11.312 -0.476 -7.077 1.00 0.00 C ATOM 436 O PRO A 29 -10.273 -0.181 -6.487 1.00 0.00 O ATOM 437 CB PRO A 29 -12.225 1.471 -8.380 1.00 0.00 C ATOM 438 CG PRO A 29 -11.605 2.740 -7.809 1.00 0.00 C ATOM 439 CD PRO A 29 -11.975 2.799 -6.324 1.00 0.00 C ATOM 0 HA PRO A 29 -13.349 -0.093 -7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.564 1.016 -9.118 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.163 1.694 -8.888 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.522 2.729 -7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.978 3.620 -8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.105 3.005 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.705 3.583 -6.122 1.00 0.00 H new ATOM 447 N VAL A 30 -11.521 -1.667 -7.632 1.00 0.00 N ATOM 448 CA VAL A 30 -10.505 -2.717 -7.570 1.00 0.00 C ATOM 449 C VAL A 30 -9.222 -2.265 -8.262 1.00 0.00 C ATOM 450 O VAL A 30 -9.053 -2.448 -9.467 1.00 0.00 O ATOM 451 CB VAL A 30 -11.012 -3.996 -8.243 1.00 0.00 C ATOM 452 CG1 VAL A 30 -10.024 -5.135 -7.985 1.00 0.00 C ATOM 453 CG2 VAL A 30 -12.379 -4.372 -7.666 1.00 0.00 C ATOM 0 H VAL A 30 -12.375 -1.929 -8.125 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.297 -2.918 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.103 -3.827 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.385 -6.045 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.049 -4.871 -8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.933 -5.301 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.739 -5.282 -8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.287 -4.539 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.086 -3.562 -7.848 1.00 0.00 H new ATOM 463 N GLY A 31 -8.319 -1.679 -7.482 1.00 0.00 N ATOM 464 CA GLY A 31 -7.048 -1.209 -8.027 1.00 0.00 C ATOM 465 C GLY A 31 -6.060 -2.364 -8.148 1.00 0.00 C ATOM 466 O GLY A 31 -6.351 -3.385 -8.773 1.00 0.00 O ATOM 0 H GLY A 31 -8.440 -1.519 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.210 -0.757 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.633 -0.434 -7.382 1.00 0.00 H new ATOM 470 N ILE A 32 -4.890 -2.196 -7.539 1.00 0.00 N ATOM 471 CA ILE A 32 -3.867 -3.238 -7.582 1.00 0.00 C ATOM 472 C ILE A 32 -4.303 -4.433 -6.722 1.00 0.00 C ATOM 473 O ILE A 32 -4.845 -4.244 -5.633 1.00 0.00 O ATOM 474 CB ILE A 32 -2.533 -2.696 -7.056 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.151 -1.439 -7.846 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.441 -3.757 -7.226 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.927 -0.777 -7.209 1.00 0.00 C ATOM 0 H ILE A 32 -4.628 -1.360 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.741 -3.558 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.633 -2.449 -5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.936 -1.701 -8.882 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.987 -0.740 -7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.494 -3.368 -6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.713 -4.652 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.338 -4.007 -8.282 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.660 0.116 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.158 -0.499 -6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.090 -1.475 -7.217 1.00 0.00 H new ATOM 489 N PRO A 33 -4.079 -5.677 -7.185 1.00 0.00 N ATOM 490 CA PRO A 33 -4.471 -6.870 -6.411 1.00 0.00 C ATOM 491 C PRO A 33 -3.478 -7.201 -5.299 1.00 0.00 C ATOM 492 O PRO A 33 -2.475 -6.511 -5.118 1.00 0.00 O ATOM 493 CB PRO A 33 -4.486 -7.962 -7.474 1.00 0.00 C ATOM 494 CG PRO A 33 -3.569 -7.501 -8.601 1.00 0.00 C ATOM 495 CD PRO A 33 -3.430 -5.981 -8.485 1.00 0.00 C ATOM 0 HA PRO A 33 -5.421 -6.739 -5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.141 -8.909 -7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.498 -8.126 -7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.594 -7.983 -8.524 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.984 -7.776 -9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.385 -5.671 -8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.923 -5.468 -9.311 1.00 0.00 H new ATOM 503 N ALA A 34 -3.776 -8.261 -4.552 1.00 0.00 N ATOM 504 CA ALA A 34 -2.907 -8.674 -3.451 1.00 0.00 C ATOM 505 C ALA A 34 -1.836 -9.667 -3.917 1.00 0.00 C ATOM 506 O ALA A 34 -1.177 -10.306 -3.097 1.00 0.00 O ATOM 507 CB ALA A 34 -3.735 -9.323 -2.341 1.00 0.00 C ATOM 0 H ALA A 34 -4.602 -8.844 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.411 -7.779 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.077 -9.627 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.468 -8.608 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.251 -10.198 -2.736 1.00 0.00 H new ATOM 513 N GLU A 35 -1.661 -9.795 -5.233 1.00 0.00 N ATOM 514 CA GLU A 35 -0.660 -10.715 -5.766 1.00 0.00 C ATOM 515 C GLU A 35 0.686 -10.013 -5.951 1.00 0.00 C ATOM 516 O GLU A 35 1.738 -10.652 -5.945 1.00 0.00 O ATOM 517 CB GLU A 35 -1.114 -11.287 -7.112 1.00 0.00 C ATOM 518 CG GLU A 35 -1.457 -10.143 -8.069 1.00 0.00 C ATOM 519 CD GLU A 35 -1.065 -10.531 -9.491 1.00 0.00 C ATOM 520 OE1 GLU A 35 0.119 -10.506 -9.786 1.00 0.00 O ATOM 521 OE2 GLU A 35 -1.955 -10.846 -10.264 1.00 0.00 O ATOM 0 H GLU A 35 -2.190 -9.282 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.545 -11.526 -5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.326 -11.907 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.984 -11.929 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.524 -9.924 -8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.931 -9.236 -7.771 1.00 0.00 H new ATOM 528 N ASP A 36 0.645 -8.691 -6.127 1.00 0.00 N ATOM 529 CA ASP A 36 1.871 -7.922 -6.323 1.00 0.00 C ATOM 530 C ASP A 36 2.326 -7.273 -5.018 1.00 0.00 C ATOM 531 O ASP A 36 2.935 -6.203 -5.023 1.00 0.00 O ATOM 532 CB ASP A 36 1.653 -6.829 -7.371 1.00 0.00 C ATOM 533 CG ASP A 36 1.336 -7.471 -8.716 1.00 0.00 C ATOM 534 OD1 ASP A 36 2.268 -7.764 -9.446 1.00 0.00 O ATOM 535 OD2 ASP A 36 0.164 -7.662 -8.996 1.00 0.00 O ATOM 0 H ASP A 36 -0.212 -8.138 -6.138 1.00 0.00 H new ATOM 0 HA ASP A 36 2.642 -8.613 -6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.835 -6.176 -7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.544 -6.207 -7.454 1.00 0.00 H new ATOM 540 N ILE A 37 2.032 -7.933 -3.901 1.00 0.00 N ATOM 541 CA ILE A 37 2.429 -7.408 -2.597 1.00 0.00 C ATOM 542 C ILE A 37 3.963 -7.421 -2.442 1.00 0.00 C ATOM 543 O ILE A 37 4.541 -6.417 -2.026 1.00 0.00 O ATOM 544 CB ILE A 37 1.776 -8.212 -1.463 1.00 0.00 C ATOM 545 CG1 ILE A 37 0.255 -8.151 -1.619 1.00 0.00 C ATOM 546 CG2 ILE A 37 2.163 -7.617 -0.104 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.395 -9.181 -0.694 1.00 0.00 C ATOM 0 H ILE A 37 1.528 -8.819 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 37 2.084 -6.376 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 37 2.120 -9.245 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.106 -7.151 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.023 -8.349 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.695 -8.195 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.246 -7.650 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.824 -6.583 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.478 -9.137 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.043 -10.179 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.127 -8.962 0.340 1.00 0.00 H new ATOM 559 N PRO A 38 4.652 -8.533 -2.772 1.00 0.00 N ATOM 560 CA PRO A 38 6.124 -8.583 -2.646 1.00 0.00 C ATOM 561 C PRO A 38 6.835 -7.833 -3.772 1.00 0.00 C ATOM 562 O PRO A 38 7.972 -7.391 -3.620 1.00 0.00 O ATOM 563 CB PRO A 38 6.414 -10.077 -2.723 1.00 0.00 C ATOM 564 CG PRO A 38 5.246 -10.717 -3.455 1.00 0.00 C ATOM 565 CD PRO A 38 4.042 -9.787 -3.283 1.00 0.00 C ATOM 0 HA PRO A 38 6.480 -8.106 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.349 -10.262 -3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.523 -10.501 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.481 -10.852 -4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.031 -11.705 -3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.520 -9.626 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.314 -10.196 -2.582 1.00 0.00 H new ATOM 573 N ARG A 39 6.147 -7.692 -4.903 1.00 0.00 N ATOM 574 CA ARG A 39 6.718 -6.989 -6.049 1.00 0.00 C ATOM 575 C ARG A 39 6.665 -5.476 -5.836 1.00 0.00 C ATOM 576 O ARG A 39 7.477 -4.732 -6.386 1.00 0.00 O ATOM 577 CB ARG A 39 5.951 -7.338 -7.326 1.00 0.00 C ATOM 578 CG ARG A 39 6.909 -7.322 -8.520 1.00 0.00 C ATOM 579 CD ARG A 39 7.469 -8.727 -8.748 1.00 0.00 C ATOM 580 NE ARG A 39 7.669 -8.976 -10.173 1.00 0.00 N ATOM 581 CZ ARG A 39 6.973 -9.914 -10.809 1.00 0.00 C ATOM 582 NH1 ARG A 39 7.361 -11.159 -10.761 1.00 0.00 N ATOM 583 NH2 ARG A 39 5.901 -9.589 -11.479 1.00 0.00 N ATOM 0 H ARG A 39 5.204 -8.051 -5.050 1.00 0.00 H new ATOM 0 HA ARG A 39 7.757 -7.303 -6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.491 -8.321 -7.229 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.144 -6.623 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.387 -6.978 -9.413 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.723 -6.621 -8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.415 -8.838 -8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.784 -9.468 -8.336 1.00 0.00 H new ATOM 0 HE ARG A 39 8.353 -8.422 -10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.198 -11.413 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.827 -11.879 -11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.597 -8.616 -11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.367 -10.308 -11.967 1.00 0.00 H new ATOM 597 N LEU A 40 5.699 -5.027 -5.035 1.00 0.00 N ATOM 598 CA LEU A 40 5.551 -3.600 -4.761 1.00 0.00 C ATOM 599 C LEU A 40 6.201 -3.236 -3.427 1.00 0.00 C ATOM 600 O LEU A 40 5.730 -2.350 -2.713 1.00 0.00 O ATOM 601 CB LEU A 40 4.070 -3.216 -4.711 1.00 0.00 C ATOM 602 CG LEU A 40 3.510 -3.145 -6.132 1.00 0.00 C ATOM 603 CD1 LEU A 40 2.043 -3.582 -6.126 1.00 0.00 C ATOM 604 CD2 LEU A 40 3.612 -1.708 -6.648 1.00 0.00 C ATOM 0 H LEU A 40 5.015 -5.624 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 40 6.044 -3.054 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.514 -3.949 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.950 -2.254 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 40 4.083 -3.807 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.644 -3.531 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.970 -4.605 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.469 -2.921 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.213 -1.656 -7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.039 -1.047 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.657 -1.396 -6.653 1.00 0.00 H new ATOM 616 N VAL A 41 7.288 -3.927 -3.099 1.00 0.00 N ATOM 617 CA VAL A 41 7.995 -3.665 -1.848 1.00 0.00 C ATOM 618 C VAL A 41 9.050 -2.581 -2.052 1.00 0.00 C ATOM 619 O VAL A 41 9.776 -2.579 -3.046 1.00 0.00 O ATOM 620 CB VAL A 41 8.674 -4.939 -1.336 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.272 -4.684 0.050 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.642 -6.064 -1.240 1.00 0.00 C ATOM 0 H VAL A 41 7.696 -4.665 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 41 7.265 -3.327 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 41 9.467 -5.226 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.754 -5.592 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.008 -3.883 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.480 -4.395 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.125 -6.971 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.850 -5.773 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.215 -6.251 -2.225 1.00 0.00 H new ATOM 632 N SER A 42 9.124 -1.659 -1.096 1.00 0.00 N ATOM 633 CA SER A 42 10.092 -0.567 -1.170 1.00 0.00 C ATOM 634 C SER A 42 9.845 0.285 -2.412 1.00 0.00 C ATOM 635 O SER A 42 10.781 0.778 -3.043 1.00 0.00 O ATOM 636 CB SER A 42 11.520 -1.116 -1.212 1.00 0.00 C ATOM 637 OG SER A 42 11.778 -1.848 -0.022 1.00 0.00 O ATOM 0 H SER A 42 8.530 -1.645 -0.267 1.00 0.00 H new ATOM 0 HA SER A 42 9.970 0.050 -0.280 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.649 -1.759 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.233 -0.298 -1.311 1.00 0.00 H new ATOM 0 HG SER A 42 12.691 -2.202 -0.047 1.00 0.00 H new ATOM 643 N MET A 43 8.572 0.451 -2.757 1.00 0.00 N ATOM 644 CA MET A 43 8.207 1.246 -3.927 1.00 0.00 C ATOM 645 C MET A 43 7.946 2.695 -3.526 1.00 0.00 C ATOM 646 O MET A 43 7.240 2.968 -2.556 1.00 0.00 O ATOM 647 CB MET A 43 6.951 0.678 -4.591 1.00 0.00 C ATOM 648 CG MET A 43 7.313 -0.585 -5.374 1.00 0.00 C ATOM 649 SD MET A 43 8.288 -0.134 -6.829 1.00 0.00 S ATOM 650 CE MET A 43 6.976 -0.350 -8.058 1.00 0.00 C ATOM 0 H MET A 43 7.783 0.051 -2.250 1.00 0.00 H new ATOM 0 HA MET A 43 9.038 1.208 -4.632 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.200 0.447 -3.835 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.513 1.420 -5.259 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.879 -1.268 -4.741 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.407 -1.109 -5.678 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.232 0.200 -8.964 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.869 -1.409 -8.294 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.036 0.029 -7.657 1.00 0.00 H new ATOM 660 N GLN A 44 8.524 3.619 -4.287 1.00 0.00 N ATOM 661 CA GLN A 44 8.350 5.042 -4.006 1.00 0.00 C ATOM 662 C GLN A 44 7.037 5.544 -4.597 1.00 0.00 C ATOM 663 O GLN A 44 6.725 5.289 -5.760 1.00 0.00 O ATOM 664 CB GLN A 44 9.505 5.851 -4.599 1.00 0.00 C ATOM 665 CG GLN A 44 10.785 5.571 -3.809 1.00 0.00 C ATOM 666 CD GLN A 44 11.834 6.624 -4.147 1.00 0.00 C ATOM 667 OE1 GLN A 44 11.840 7.171 -5.249 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.731 6.943 -3.256 1.00 0.00 N ATOM 0 H GLN A 44 9.111 3.413 -5.095 1.00 0.00 H new ATOM 0 HA GLN A 44 8.335 5.172 -2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.647 5.587 -5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.271 6.915 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.574 5.583 -2.740 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.162 4.577 -4.049 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.726 6.490 -2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.438 7.646 -3.473 1.00 0.00 H new ATOM 677 N VAL A 45 6.272 6.264 -3.781 1.00 0.00 N ATOM 678 CA VAL A 45 4.991 6.801 -4.231 1.00 0.00 C ATOM 679 C VAL A 45 5.159 8.239 -4.713 1.00 0.00 C ATOM 680 O VAL A 45 6.052 8.959 -4.267 1.00 0.00 O ATOM 681 CB VAL A 45 3.967 6.774 -3.094 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.657 5.324 -2.720 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.540 7.503 -1.875 1.00 0.00 C ATOM 0 H VAL A 45 6.513 6.487 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 45 4.635 6.179 -5.052 1.00 0.00 H new ATOM 0 HB VAL A 45 3.052 7.269 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.928 5.305 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.250 4.804 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.572 4.828 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.812 7.485 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.455 7.007 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.761 8.537 -2.140 1.00 0.00 H new ATOM 693 N ASN A 46 4.289 8.648 -5.633 1.00 0.00 N ATOM 694 CA ASN A 46 4.350 10.004 -6.174 1.00 0.00 C ATOM 695 C ASN A 46 3.707 11.009 -5.215 1.00 0.00 C ATOM 696 O ASN A 46 3.995 12.205 -5.270 1.00 0.00 O ATOM 697 CB ASN A 46 3.643 10.077 -7.534 1.00 0.00 C ATOM 698 CG ASN A 46 2.177 9.666 -7.395 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.745 9.206 -6.339 1.00 0.00 O ATOM 700 ND2 ASN A 46 1.377 9.806 -8.417 1.00 0.00 N ATOM 0 H ASN A 46 3.542 8.069 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 46 5.402 10.259 -6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.707 11.090 -7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.145 9.423 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.397 9.534 -8.338 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.732 10.187 -9.294 1.00 0.00 H new ATOM 707 N ARG A 47 2.835 10.519 -4.333 1.00 0.00 N ATOM 708 CA ARG A 47 2.167 11.394 -3.372 1.00 0.00 C ATOM 709 C ARG A 47 1.961 10.667 -2.047 1.00 0.00 C ATOM 710 O ARG A 47 2.336 9.505 -1.894 1.00 0.00 O ATOM 711 CB ARG A 47 0.808 11.847 -3.913 1.00 0.00 C ATOM 712 CG ARG A 47 -0.039 10.623 -4.271 1.00 0.00 C ATOM 713 CD ARG A 47 -0.902 10.937 -5.494 1.00 0.00 C ATOM 714 NE ARG A 47 -2.173 10.222 -5.424 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.330 10.877 -5.445 1.00 0.00 C ATOM 716 NH1 ARG A 47 -3.505 11.918 -4.679 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.292 10.478 -6.232 1.00 0.00 N ATOM 0 H ARG A 47 2.578 9.534 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 47 2.800 12.267 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.293 12.452 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.947 12.475 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.606 9.769 -4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.672 10.347 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.085 12.010 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.370 10.656 -6.403 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.173 9.204 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.754 12.230 -4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.393 12.420 -4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.156 9.664 -6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.179 10.981 -6.248 1.00 0.00 H new ATOM 731 N ALA A 48 1.358 11.366 -1.090 1.00 0.00 N ATOM 732 CA ALA A 48 1.104 10.777 0.223 1.00 0.00 C ATOM 733 C ALA A 48 0.069 9.662 0.111 1.00 0.00 C ATOM 734 O ALA A 48 -0.754 9.649 -0.805 1.00 0.00 O ATOM 735 CB ALA A 48 0.590 11.839 1.197 1.00 0.00 C ATOM 0 H ALA A 48 1.039 12.329 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 48 2.042 10.368 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.406 11.382 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.335 12.628 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.338 12.264 0.815 1.00 0.00 H new ATOM 741 N VAL A 49 0.122 8.724 1.053 1.00 0.00 N ATOM 742 CA VAL A 49 -0.814 7.603 1.051 1.00 0.00 C ATOM 743 C VAL A 49 -1.117 7.157 2.488 1.00 0.00 C ATOM 744 O VAL A 49 -0.382 6.347 3.052 1.00 0.00 O ATOM 745 CB VAL A 49 -0.231 6.419 0.276 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.296 5.331 0.124 1.00 0.00 C ATOM 747 CG2 VAL A 49 0.218 6.886 -1.111 1.00 0.00 C ATOM 0 H VAL A 49 0.795 8.717 1.819 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.734 7.934 0.570 1.00 0.00 H new ATOM 0 HB VAL A 49 0.624 6.018 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.879 4.489 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.617 4.996 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.152 5.733 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.633 6.042 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.637 7.289 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.978 7.660 -1.006 1.00 0.00 H new ATOM 757 N PRO A 50 -2.199 7.672 3.102 1.00 0.00 N ATOM 758 CA PRO A 50 -2.561 7.293 4.480 1.00 0.00 C ATOM 759 C PRO A 50 -3.296 5.956 4.544 1.00 0.00 C ATOM 760 O PRO A 50 -3.477 5.283 3.531 1.00 0.00 O ATOM 761 CB PRO A 50 -3.474 8.437 4.904 1.00 0.00 C ATOM 762 CG PRO A 50 -4.047 9.048 3.632 1.00 0.00 C ATOM 763 CD PRO A 50 -3.122 8.650 2.476 1.00 0.00 C ATOM 0 HA PRO A 50 -1.690 7.155 5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.273 8.073 5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.918 9.182 5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.060 8.687 3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.106 10.133 3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.678 8.207 1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.586 9.510 2.075 1.00 0.00 H new ATOM 771 N LEU A 51 -3.713 5.581 5.750 1.00 0.00 N ATOM 772 CA LEU A 51 -4.426 4.320 5.942 1.00 0.00 C ATOM 773 C LEU A 51 -5.732 4.316 5.155 1.00 0.00 C ATOM 774 O LEU A 51 -6.322 5.364 4.894 1.00 0.00 O ATOM 775 CB LEU A 51 -4.736 4.103 7.424 1.00 0.00 C ATOM 776 CG LEU A 51 -3.448 3.751 8.170 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.793 5.034 8.687 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.777 2.837 9.351 1.00 0.00 C ATOM 0 H LEU A 51 -3.572 6.125 6.601 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.786 3.515 5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.180 5.003 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.466 3.302 7.540 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.764 3.239 7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.875 4.785 9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.559 5.688 7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.478 5.545 9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.860 2.586 9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.461 3.349 10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.246 1.924 8.985 1.00 0.00 H new ATOM 790 N GLY A 52 -6.177 3.119 4.779 1.00 0.00 N ATOM 791 CA GLY A 52 -7.418 2.977 4.021 1.00 0.00 C ATOM 792 C GLY A 52 -7.306 3.659 2.662 1.00 0.00 C ATOM 793 O GLY A 52 -8.090 4.548 2.330 1.00 0.00 O ATOM 0 H GLY A 52 -5.702 2.240 4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.646 1.920 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.244 3.412 4.584 1.00 0.00 H new ATOM 797 N THR A 53 -6.322 3.230 1.879 1.00 0.00 N ATOM 798 CA THR A 53 -6.112 3.800 0.551 1.00 0.00 C ATOM 799 C THR A 53 -5.772 2.698 -0.448 1.00 0.00 C ATOM 800 O THR A 53 -4.723 2.061 -0.358 1.00 0.00 O ATOM 801 CB THR A 53 -4.971 4.825 0.579 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.228 5.788 1.591 1.00 0.00 O ATOM 803 CG2 THR A 53 -4.872 5.527 -0.778 1.00 0.00 C ATOM 0 H THR A 53 -5.662 2.496 2.137 1.00 0.00 H new ATOM 0 HA THR A 53 -7.033 4.297 0.246 1.00 0.00 H new ATOM 0 HB THR A 53 -4.032 4.313 0.789 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.432 5.892 2.153 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.060 6.254 -0.753 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.675 4.789 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.810 6.038 -0.993 1.00 0.00 H new ATOM 811 N THR A 54 -6.677 2.479 -1.398 1.00 0.00 N ATOM 812 CA THR A 54 -6.469 1.447 -2.411 1.00 0.00 C ATOM 813 C THR A 54 -5.217 1.743 -3.229 1.00 0.00 C ATOM 814 O THR A 54 -5.196 2.658 -4.052 1.00 0.00 O ATOM 815 CB THR A 54 -7.674 1.371 -3.353 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.873 1.457 -2.594 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.646 0.048 -4.119 1.00 0.00 C ATOM 0 H THR A 54 -7.552 2.995 -1.488 1.00 0.00 H new ATOM 0 HA THR A 54 -6.348 0.493 -1.897 1.00 0.00 H new ATOM 0 HB THR A 54 -7.632 2.198 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.645 1.410 -3.196 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.505 -0.003 -4.788 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.727 -0.016 -4.702 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.686 -0.782 -3.413 1.00 0.00 H new ATOM 825 N LEU A 55 -4.172 0.955 -2.992 1.00 0.00 N ATOM 826 CA LEU A 55 -2.913 1.133 -3.711 1.00 0.00 C ATOM 827 C LEU A 55 -3.122 0.942 -5.210 1.00 0.00 C ATOM 828 O LEU A 55 -3.360 -0.170 -5.681 1.00 0.00 O ATOM 829 CB LEU A 55 -1.871 0.125 -3.222 1.00 0.00 C ATOM 830 CG LEU A 55 -0.469 0.681 -3.465 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.078 1.605 -2.311 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.530 -0.477 -3.551 1.00 0.00 C ATOM 0 H LEU A 55 -4.170 0.193 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.558 2.146 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.015 -0.076 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.993 -0.823 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.458 1.243 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.922 2.001 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.789 2.429 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.089 1.044 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.531 -0.082 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.518 -1.038 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.253 -1.136 -4.373 1.00 0.00 H new ATOM 844 N MET A 56 -3.028 2.041 -5.953 1.00 0.00 N ATOM 845 CA MET A 56 -3.207 1.986 -7.401 1.00 0.00 C ATOM 846 C MET A 56 -1.846 1.933 -8.103 1.00 0.00 C ATOM 847 O MET A 56 -0.826 2.285 -7.513 1.00 0.00 O ATOM 848 CB MET A 56 -3.978 3.212 -7.893 1.00 0.00 C ATOM 849 CG MET A 56 -5.478 2.909 -7.880 1.00 0.00 C ATOM 850 SD MET A 56 -6.378 4.288 -8.632 1.00 0.00 S ATOM 851 CE MET A 56 -7.920 4.084 -7.706 1.00 0.00 C ATOM 0 H MET A 56 -2.831 2.971 -5.582 1.00 0.00 H new ATOM 0 HA MET A 56 -3.774 1.086 -7.638 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.764 4.070 -7.256 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.658 3.476 -8.901 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.679 1.988 -8.427 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.820 2.753 -6.857 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.704 4.684 -8.168 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.214 3.034 -7.715 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.772 4.411 -6.677 1.00 0.00 H new ATOM 861 N PRO A 57 -1.808 1.490 -9.373 1.00 0.00 N ATOM 862 CA PRO A 57 -0.545 1.401 -10.128 1.00 0.00 C ATOM 863 C PRO A 57 -0.100 2.743 -10.706 1.00 0.00 C ATOM 864 O PRO A 57 1.082 2.958 -10.972 1.00 0.00 O ATOM 865 CB PRO A 57 -0.901 0.422 -11.242 1.00 0.00 C ATOM 866 CG PRO A 57 -2.413 0.480 -11.422 1.00 0.00 C ATOM 867 CD PRO A 57 -3.006 1.056 -10.132 1.00 0.00 C ATOM 0 HA PRO A 57 0.292 1.090 -9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.392 0.690 -12.168 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.582 -0.588 -10.984 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.674 1.104 -12.277 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.815 -0.514 -11.619 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.678 1.890 -10.335 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.581 0.309 -9.584 1.00 0.00 H new ATOM 875 N ASP A 58 -1.060 3.645 -10.900 1.00 0.00 N ATOM 876 CA ASP A 58 -0.750 4.962 -11.450 1.00 0.00 C ATOM 877 C ASP A 58 0.004 5.807 -10.427 1.00 0.00 C ATOM 878 O ASP A 58 0.976 6.486 -10.760 1.00 0.00 O ATOM 879 CB ASP A 58 -2.035 5.691 -11.850 1.00 0.00 C ATOM 880 CG ASP A 58 -2.992 5.727 -10.663 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.829 6.593 -9.820 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.875 4.886 -10.614 1.00 0.00 O ATOM 0 H ASP A 58 -2.046 3.491 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.124 4.818 -12.331 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.804 6.705 -12.175 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.505 5.185 -12.694 1.00 0.00 H new ATOM 887 N MET A 59 -0.454 5.761 -9.180 1.00 0.00 N ATOM 888 CA MET A 59 0.179 6.527 -8.115 1.00 0.00 C ATOM 889 C MET A 59 1.583 5.999 -7.825 1.00 0.00 C ATOM 890 O MET A 59 2.464 6.746 -7.399 1.00 0.00 O ATOM 891 CB MET A 59 -0.659 6.458 -6.837 1.00 0.00 C ATOM 892 CG MET A 59 -0.988 5.001 -6.500 1.00 0.00 C ATOM 893 SD MET A 59 -1.125 4.807 -4.706 1.00 0.00 S ATOM 894 CE MET A 59 -2.516 5.939 -4.460 1.00 0.00 C ATOM 0 H MET A 59 -1.256 5.205 -8.884 1.00 0.00 H new ATOM 0 HA MET A 59 0.251 7.563 -8.447 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.115 6.916 -6.011 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.580 7.026 -6.966 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.922 4.709 -6.980 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.211 4.343 -6.888 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.967 5.755 -3.485 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.160 6.968 -4.507 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.260 5.776 -5.240 1.00 0.00 H new ATOM 904 N VAL A 60 1.786 4.704 -8.061 1.00 0.00 N ATOM 905 CA VAL A 60 3.091 4.093 -7.821 1.00 0.00 C ATOM 906 C VAL A 60 3.978 4.244 -9.055 1.00 0.00 C ATOM 907 O VAL A 60 3.805 3.545 -10.053 1.00 0.00 O ATOM 908 CB VAL A 60 2.932 2.605 -7.484 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.297 1.998 -7.139 1.00 0.00 C ATOM 910 CG2 VAL A 60 1.993 2.452 -6.283 1.00 0.00 C ATOM 0 H VAL A 60 1.073 4.065 -8.414 1.00 0.00 H new ATOM 0 HA VAL A 60 3.558 4.601 -6.977 1.00 0.00 H new ATOM 0 HB VAL A 60 2.515 2.086 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.176 0.941 -6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.968 2.103 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.719 2.518 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.879 1.395 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.412 2.976 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.019 2.876 -6.527 1.00 0.00 H new ATOM 920 N LYS A 61 4.932 5.168 -8.972 1.00 0.00 N ATOM 921 CA LYS A 61 5.847 5.409 -10.085 1.00 0.00 C ATOM 922 C LYS A 61 6.746 4.197 -10.306 1.00 0.00 C ATOM 923 O LYS A 61 7.470 3.770 -9.406 1.00 0.00 O ATOM 924 CB LYS A 61 6.720 6.634 -9.807 1.00 0.00 C ATOM 925 CG LYS A 61 5.977 7.900 -10.240 1.00 0.00 C ATOM 926 CD LYS A 61 6.709 9.131 -9.702 1.00 0.00 C ATOM 927 CE LYS A 61 7.979 9.372 -10.522 1.00 0.00 C ATOM 928 NZ LYS A 61 9.144 8.753 -9.828 1.00 0.00 N ATOM 0 H LYS A 61 5.091 5.757 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 61 5.249 5.587 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.963 6.687 -8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.664 6.551 -10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.918 7.946 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.954 7.880 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.059 10.005 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.964 8.985 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.867 8.945 -11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.145 10.442 -10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.763 9.501 -9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.806 8.160 -9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.677 8.166 -10.501 1.00 0.00 H new ATOM 942 N GLY A 62 6.689 3.647 -11.515 1.00 0.00 N ATOM 943 CA GLY A 62 7.500 2.480 -11.848 1.00 0.00 C ATOM 944 C GLY A 62 6.625 1.239 -11.991 1.00 0.00 C ATOM 945 O GLY A 62 6.921 0.338 -12.776 1.00 0.00 O ATOM 0 H GLY A 62 6.097 3.986 -12.273 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.040 2.659 -12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.247 2.317 -11.072 1.00 0.00 H new ATOM 949 N TYR A 63 5.540 1.206 -11.222 1.00 0.00 N ATOM 950 CA TYR A 63 4.621 0.073 -11.266 1.00 0.00 C ATOM 951 C TYR A 63 3.534 0.313 -12.311 1.00 0.00 C ATOM 952 O TYR A 63 2.476 0.864 -12.010 1.00 0.00 O ATOM 953 CB TYR A 63 3.964 -0.135 -9.899 1.00 0.00 C ATOM 954 CG TYR A 63 3.182 -1.426 -9.903 1.00 0.00 C ATOM 955 CD1 TYR A 63 1.824 -1.428 -10.318 1.00 0.00 C ATOM 956 CD2 TYR A 63 3.802 -2.636 -9.494 1.00 0.00 C ATOM 957 CE1 TYR A 63 1.085 -2.640 -10.324 1.00 0.00 C ATOM 958 CE2 TYR A 63 3.064 -3.849 -9.500 1.00 0.00 C ATOM 959 CZ TYR A 63 1.705 -3.851 -9.915 1.00 0.00 C ATOM 960 OH TYR A 63 0.987 -5.030 -9.921 1.00 0.00 O ATOM 0 H TYR A 63 5.277 1.943 -10.567 1.00 0.00 H new ATOM 0 HA TYR A 63 5.192 -0.817 -11.532 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.725 -0.162 -9.119 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.303 0.701 -9.671 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.353 -0.507 -10.629 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.835 -2.634 -9.178 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.052 -2.641 -10.639 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.535 -4.770 -9.189 1.00 0.00 H new ATOM 0 HH TYR A 63 1.320 -5.612 -10.635 1.00 0.00 H new