USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 Single : A 3 GLN : amide:sc= -0.665 X(o=-0.67,f=-0.24) USER MOD Single : A 5 GLN : amide:sc= -0.0735 X(o=-0.074,f=-0.25) USER MOD Single : A 6 TYR OH : rot 150:sc= 0 USER MOD Single : A 7 THR OG1 : rot 77:sc= 0.188 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -2.84! USER MOD Single : A 41 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.046) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 47 SER OG : rot -61:sc= 0.465 USER MOD Single : A 54 SER OG : rot 85:sc= 0.63 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.5!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -112:sc=-0.00432 (180deg=-0.235) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 141:sc= -0.529 (180deg=-2.2!) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.551 F(o=-3.3!,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -6.040 5.855 -15.215 1.00 0.00 N ATOM 32 CA GLN A 3 -6.388 4.624 -14.444 1.00 0.00 C ATOM 33 C GLN A 3 -6.716 4.983 -12.986 1.00 0.00 C ATOM 34 O GLN A 3 -6.350 4.264 -12.075 1.00 0.00 O ATOM 35 CB GLN A 3 -5.138 3.747 -14.512 1.00 0.00 C ATOM 36 CG GLN A 3 -5.048 3.092 -15.892 1.00 0.00 C ATOM 37 CD GLN A 3 -6.175 2.063 -16.046 1.00 0.00 C ATOM 38 OE1 GLN A 3 -6.023 0.922 -15.655 1.00 0.00 O ATOM 39 NE2 GLN A 3 -7.309 2.413 -16.601 1.00 0.00 N ATOM 0 HA GLN A 3 -7.264 4.118 -14.850 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.248 4.348 -14.325 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.175 2.982 -13.736 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.125 3.850 -16.671 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.079 2.607 -16.013 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.442 3.369 -16.931 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.059 1.729 -16.703 1.00 0.00 H new ATOM 48 N GLU A 4 -7.407 6.084 -12.750 1.00 0.00 N ATOM 49 CA GLU A 4 -7.750 6.459 -11.328 1.00 0.00 C ATOM 50 C GLU A 4 -8.570 5.339 -10.673 1.00 0.00 C ATOM 51 O GLU A 4 -8.388 5.039 -9.508 1.00 0.00 O ATOM 52 CB GLU A 4 -8.576 7.754 -11.394 1.00 0.00 C ATOM 53 CG GLU A 4 -8.463 8.500 -10.063 1.00 0.00 C ATOM 54 CD GLU A 4 -9.261 7.754 -8.991 1.00 0.00 C ATOM 55 OE1 GLU A 4 -10.368 7.337 -9.287 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.749 7.613 -7.893 1.00 0.00 O ATOM 0 H GLU A 4 -7.743 6.729 -13.465 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.849 6.604 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.219 8.385 -12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.620 7.522 -11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.417 8.578 -9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.840 9.517 -10.171 1.00 0.00 H new ATOM 63 N GLN A 5 -9.466 4.705 -11.408 1.00 0.00 N ATOM 64 CA GLN A 5 -10.281 3.585 -10.800 1.00 0.00 C ATOM 65 C GLN A 5 -9.334 2.524 -10.215 1.00 0.00 C ATOM 66 O GLN A 5 -9.554 2.025 -9.127 1.00 0.00 O ATOM 67 CB GLN A 5 -11.131 2.991 -11.945 1.00 0.00 C ATOM 68 CG GLN A 5 -11.898 1.750 -11.460 1.00 0.00 C ATOM 69 CD GLN A 5 -13.410 2.017 -11.505 1.00 0.00 C ATOM 70 OE1 GLN A 5 -13.916 2.515 -12.490 1.00 0.00 O ATOM 71 NE2 GLN A 5 -14.160 1.704 -10.476 1.00 0.00 N ATOM 0 H GLN A 5 -9.668 4.909 -12.387 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.921 3.939 -9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.834 3.740 -12.310 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.487 2.723 -12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.653 0.893 -12.087 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.595 1.499 -10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.739 1.285 -9.647 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.164 1.879 -10.505 1.00 0.00 H new ATOM 80 N TYR A 6 -8.268 2.204 -10.914 1.00 0.00 N ATOM 81 CA TYR A 6 -7.294 1.202 -10.364 1.00 0.00 C ATOM 82 C TYR A 6 -6.473 1.869 -9.248 1.00 0.00 C ATOM 83 O TYR A 6 -6.128 1.237 -8.266 1.00 0.00 O ATOM 84 CB TYR A 6 -6.387 0.773 -11.529 1.00 0.00 C ATOM 85 CG TYR A 6 -7.117 -0.233 -12.391 1.00 0.00 C ATOM 86 CD1 TYR A 6 -8.109 0.197 -13.281 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.803 -1.594 -12.298 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.787 -0.733 -14.076 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.482 -2.525 -13.093 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.474 -2.095 -13.983 1.00 0.00 C ATOM 91 OH TYR A 6 -9.143 -3.012 -14.767 1.00 0.00 O ATOM 0 H TYR A 6 -8.032 2.587 -11.829 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.797 0.332 -9.942 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.106 1.642 -12.124 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.465 0.338 -11.145 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.351 1.247 -13.354 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.037 -1.926 -11.613 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.552 -0.401 -14.762 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.241 -3.575 -13.020 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.552 -3.770 -14.960 1.00 0.00 H new ATOM 101 N THR A 7 -6.174 3.150 -9.377 1.00 0.00 N ATOM 102 CA THR A 7 -5.393 3.849 -8.298 1.00 0.00 C ATOM 103 C THR A 7 -6.264 3.975 -7.037 1.00 0.00 C ATOM 104 O THR A 7 -5.784 3.796 -5.933 1.00 0.00 O ATOM 105 CB THR A 7 -5.038 5.246 -8.849 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.221 5.101 -10.006 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.280 6.064 -7.797 1.00 0.00 C ATOM 0 H THR A 7 -6.434 3.732 -10.173 1.00 0.00 H new ATOM 0 HA THR A 7 -4.491 3.298 -8.030 1.00 0.00 H new ATOM 0 HB THR A 7 -5.961 5.767 -9.103 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.778 4.844 -10.770 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.038 7.046 -8.204 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.903 6.182 -6.910 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.359 5.546 -7.528 1.00 0.00 H new ATOM 115 N GLU A 8 -7.540 4.274 -7.187 1.00 0.00 N ATOM 116 CA GLU A 8 -8.416 4.393 -5.969 1.00 0.00 C ATOM 117 C GLU A 8 -8.604 3.009 -5.341 1.00 0.00 C ATOM 118 O GLU A 8 -8.551 2.862 -4.133 1.00 0.00 O ATOM 119 CB GLU A 8 -9.766 4.961 -6.438 1.00 0.00 C ATOM 120 CG GLU A 8 -10.428 5.722 -5.288 1.00 0.00 C ATOM 121 CD GLU A 8 -11.758 6.308 -5.763 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.545 5.563 -6.323 1.00 0.00 O ATOM 123 OE2 GLU A 8 -11.968 7.493 -5.557 1.00 0.00 O ATOM 0 H GLU A 8 -8.004 4.438 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.970 5.046 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.617 5.625 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.415 4.153 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.594 5.053 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.771 6.519 -4.939 1.00 0.00 H new ATOM 130 N ASN A 9 -8.798 1.987 -6.146 1.00 0.00 N ATOM 131 CA ASN A 9 -8.956 0.610 -5.566 1.00 0.00 C ATOM 132 C ASN A 9 -7.588 0.113 -5.085 1.00 0.00 C ATOM 133 O ASN A 9 -7.479 -0.484 -4.030 1.00 0.00 O ATOM 134 CB ASN A 9 -9.496 -0.291 -6.687 1.00 0.00 C ATOM 135 CG ASN A 9 -11.000 -0.046 -6.862 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.409 1.046 -7.201 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.850 -1.019 -6.644 1.00 0.00 N ATOM 0 H ASN A 9 -8.853 2.044 -7.163 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.640 0.604 -4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.972 -0.082 -7.620 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.313 -1.338 -6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.851 -0.858 -6.759 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.511 -1.938 -6.359 1.00 0.00 H new ATOM 144 N LEU A 10 -6.535 0.375 -5.835 1.00 0.00 N ATOM 145 CA LEU A 10 -5.174 -0.071 -5.380 1.00 0.00 C ATOM 146 C LEU A 10 -4.786 0.693 -4.106 1.00 0.00 C ATOM 147 O LEU A 10 -4.185 0.135 -3.208 1.00 0.00 O ATOM 148 CB LEU A 10 -4.189 0.251 -6.518 1.00 0.00 C ATOM 149 CG LEU A 10 -2.789 -0.236 -6.137 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.794 -1.761 -6.006 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.790 0.179 -7.224 1.00 0.00 C ATOM 0 H LEU A 10 -6.559 0.870 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.160 -1.137 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.514 -0.230 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.173 1.325 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.498 0.209 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.796 -2.106 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.503 -2.057 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.086 -2.207 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.793 -0.168 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.082 -0.265 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.784 1.265 -7.317 1.00 0.00 H new ATOM 163 N LYS A 11 -5.132 1.965 -4.010 1.00 0.00 N ATOM 164 CA LYS A 11 -4.777 2.740 -2.765 1.00 0.00 C ATOM 165 C LYS A 11 -5.389 2.065 -1.527 1.00 0.00 C ATOM 166 O LYS A 11 -4.791 2.060 -0.467 1.00 0.00 O ATOM 167 CB LYS A 11 -5.356 4.153 -2.939 1.00 0.00 C ATOM 168 CG LYS A 11 -4.944 5.025 -1.751 1.00 0.00 C ATOM 169 CD LYS A 11 -5.604 6.399 -1.873 1.00 0.00 C ATOM 170 CE LYS A 11 -5.525 7.126 -0.528 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.671 8.077 -0.538 1.00 0.00 N ATOM 0 H LYS A 11 -5.635 2.491 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.697 2.776 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.995 4.593 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.443 4.106 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.241 4.549 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.860 5.132 -1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.106 6.986 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.645 6.288 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.600 6.426 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.576 7.652 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.685 8.614 0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.569 8.735 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.561 7.548 -0.637 1.00 0.00 H new ATOM 185 N VAL A 12 -6.569 1.485 -1.647 1.00 0.00 N ATOM 186 CA VAL A 12 -7.185 0.807 -0.452 1.00 0.00 C ATOM 187 C VAL A 12 -6.366 -0.442 -0.102 1.00 0.00 C ATOM 188 O VAL A 12 -5.983 -0.636 1.036 1.00 0.00 O ATOM 189 CB VAL A 12 -8.618 0.416 -0.853 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.307 -0.289 0.316 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.404 1.676 -1.220 1.00 0.00 C ATOM 0 H VAL A 12 -7.122 1.452 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.197 1.460 0.421 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.582 -0.257 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.322 -0.564 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.748 -1.187 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.343 0.381 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.420 1.401 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.437 2.347 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.917 2.178 -2.055 1.00 0.00 H new ATOM 201 N ILE A 13 -6.086 -1.282 -1.073 1.00 0.00 N ATOM 202 CA ILE A 13 -5.273 -2.513 -0.777 1.00 0.00 C ATOM 203 C ILE A 13 -3.874 -2.101 -0.289 1.00 0.00 C ATOM 204 O ILE A 13 -3.320 -2.721 0.599 1.00 0.00 O ATOM 205 CB ILE A 13 -5.184 -3.314 -2.090 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.602 -3.689 -2.554 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.365 -4.589 -1.862 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.736 -3.457 -4.062 1.00 0.00 C ATOM 0 H ILE A 13 -6.379 -1.174 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.730 -3.119 0.006 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.698 -2.707 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.807 -4.733 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.339 -3.091 -2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.304 -5.153 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.361 -4.322 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.847 -5.199 -1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.743 -3.725 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.551 -2.407 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.010 -4.074 -4.591 1.00 0.00 H new ATOM 220 N VAL A 14 -3.303 -1.051 -0.848 1.00 0.00 N ATOM 221 CA VAL A 14 -1.940 -0.609 -0.378 1.00 0.00 C ATOM 222 C VAL A 14 -2.036 -0.159 1.088 1.00 0.00 C ATOM 223 O VAL A 14 -1.186 -0.485 1.894 1.00 0.00 O ATOM 224 CB VAL A 14 -1.518 0.567 -1.278 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.131 1.065 -0.859 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.479 0.106 -2.743 1.00 0.00 C ATOM 0 H VAL A 14 -3.712 -0.490 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.209 -1.415 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.239 1.378 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.165 1.897 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.162 1.397 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.592 0.255 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.180 0.939 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.761 -0.707 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.468 -0.242 -3.041 1.00 0.00 H new ATOM 236 N ALA A 15 -3.073 0.576 1.445 1.00 0.00 N ATOM 237 CA ALA A 15 -3.209 1.022 2.879 1.00 0.00 C ATOM 238 C ALA A 15 -3.343 -0.205 3.799 1.00 0.00 C ATOM 239 O ALA A 15 -2.856 -0.199 4.914 1.00 0.00 O ATOM 240 CB ALA A 15 -4.479 1.885 2.959 1.00 0.00 C ATOM 0 H ALA A 15 -3.818 0.882 0.819 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.334 1.587 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.619 2.232 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.378 2.744 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.342 1.292 2.656 1.00 0.00 H new ATOM 246 N GLU A 16 -3.994 -1.265 3.346 1.00 0.00 N ATOM 247 CA GLU A 16 -4.143 -2.490 4.219 1.00 0.00 C ATOM 248 C GLU A 16 -2.768 -2.956 4.729 1.00 0.00 C ATOM 249 O GLU A 16 -2.645 -3.413 5.851 1.00 0.00 O ATOM 250 CB GLU A 16 -4.770 -3.584 3.337 1.00 0.00 C ATOM 251 CG GLU A 16 -5.194 -4.767 4.209 1.00 0.00 C ATOM 252 CD GLU A 16 -5.260 -6.033 3.353 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.311 -6.287 2.631 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.259 -6.728 3.436 1.00 0.00 O ATOM 0 H GLU A 16 -4.423 -1.335 2.423 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.764 -2.274 5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.633 -3.185 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.054 -3.913 2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.485 -4.904 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.166 -4.570 4.661 1.00 0.00 H new ATOM 261 N LYS A 17 -1.730 -2.840 3.922 1.00 0.00 N ATOM 262 CA LYS A 17 -0.371 -3.277 4.392 1.00 0.00 C ATOM 263 C LYS A 17 0.268 -2.164 5.236 1.00 0.00 C ATOM 264 O LYS A 17 0.765 -2.414 6.317 1.00 0.00 O ATOM 265 CB LYS A 17 0.468 -3.543 3.132 1.00 0.00 C ATOM 266 CG LYS A 17 1.711 -4.358 3.503 1.00 0.00 C ATOM 267 CD LYS A 17 1.466 -5.840 3.202 1.00 0.00 C ATOM 268 CE LYS A 17 1.022 -6.558 4.478 1.00 0.00 C ATOM 269 NZ LYS A 17 -0.042 -7.503 4.036 1.00 0.00 N ATOM 0 H LYS A 17 -1.765 -2.467 2.973 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.432 -4.172 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.126 -4.083 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.763 -2.599 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.573 -4.000 2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.943 -4.225 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.703 -5.943 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.376 -6.298 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.853 -7.088 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.642 -5.852 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.398 -8.034 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.823 -6.969 3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.351 -8.167 3.339 1.00 0.00 H new ATOM 283 N LEU A 18 0.253 -0.934 4.759 1.00 0.00 N ATOM 284 CA LEU A 18 0.865 0.182 5.566 1.00 0.00 C ATOM 285 C LEU A 18 0.100 0.340 6.887 1.00 0.00 C ATOM 286 O LEU A 18 0.695 0.378 7.949 1.00 0.00 O ATOM 287 CB LEU A 18 0.732 1.461 4.727 1.00 0.00 C ATOM 288 CG LEU A 18 1.607 1.351 3.480 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.078 2.301 2.400 1.00 0.00 C ATOM 290 CD2 LEU A 18 3.047 1.730 3.836 1.00 0.00 C ATOM 0 H LEU A 18 -0.148 -0.658 3.863 1.00 0.00 H new ATOM 0 HA LEU A 18 1.910 -0.024 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.309 1.613 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.030 2.327 5.317 1.00 0.00 H new ATOM 0 HG LEU A 18 1.583 0.328 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.702 2.223 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.052 2.031 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.103 3.325 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.674 1.652 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.072 2.754 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.422 1.054 4.605 1.00 0.00 H new ATOM 302 N ALA A 19 -1.215 0.420 6.837 1.00 0.00 N ATOM 303 CA ALA A 19 -2.002 0.562 8.113 1.00 0.00 C ATOM 304 C ALA A 19 -1.839 -0.701 8.986 1.00 0.00 C ATOM 305 O ALA A 19 -1.952 -0.631 10.196 1.00 0.00 O ATOM 306 CB ALA A 19 -3.476 0.736 7.712 1.00 0.00 C ATOM 0 H ALA A 19 -1.770 0.394 5.982 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.649 1.415 8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.087 0.843 8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.582 1.626 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.806 -0.138 7.151 1.00 0.00 H new ATOM 312 N GLY A 20 -1.584 -1.856 8.392 1.00 0.00 N ATOM 313 CA GLY A 20 -1.431 -3.100 9.203 1.00 0.00 C ATOM 314 C GLY A 20 -0.031 -3.168 9.838 1.00 0.00 C ATOM 315 O GLY A 20 0.119 -3.664 10.939 1.00 0.00 O ATOM 0 H GLY A 20 -1.478 -1.980 7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.191 -3.127 9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.592 -3.974 8.571 1.00 0.00 H new ATOM 319 N ILE A 21 1.002 -2.690 9.163 1.00 0.00 N ATOM 320 CA ILE A 21 2.389 -2.761 9.771 1.00 0.00 C ATOM 321 C ILE A 21 2.383 -2.130 11.185 1.00 0.00 C ATOM 322 O ILE A 21 1.877 -1.039 11.362 1.00 0.00 O ATOM 323 CB ILE A 21 3.326 -1.981 8.821 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.434 -2.739 7.492 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.726 -1.856 9.436 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.610 -1.748 6.335 1.00 0.00 C ATOM 0 H ILE A 21 0.950 -2.263 8.238 1.00 0.00 H new ATOM 0 HA ILE A 21 2.725 -3.792 9.881 1.00 0.00 H new ATOM 0 HB ILE A 21 2.917 -0.984 8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.279 -3.427 7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.539 -3.341 7.333 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.374 -1.304 8.755 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.660 -1.324 10.385 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.139 -2.850 9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.686 -2.295 5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.751 -1.078 6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.518 -1.166 6.490 1.00 0.00 H new ATOM 338 N PRO A 22 2.941 -2.835 12.153 1.00 0.00 N ATOM 339 CA PRO A 22 2.975 -2.310 13.545 1.00 0.00 C ATOM 340 C PRO A 22 3.983 -1.151 13.702 1.00 0.00 C ATOM 341 O PRO A 22 3.861 -0.358 14.618 1.00 0.00 O ATOM 342 CB PRO A 22 3.411 -3.514 14.375 1.00 0.00 C ATOM 343 CG PRO A 22 4.163 -4.391 13.428 1.00 0.00 C ATOM 344 CD PRO A 22 3.582 -4.160 12.058 1.00 0.00 C ATOM 0 HA PRO A 22 2.013 -1.899 13.850 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.039 -3.209 15.212 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.551 -4.035 14.795 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.226 -4.151 13.442 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.069 -5.438 13.715 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.356 -4.174 11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.860 -4.933 11.796 1.00 0.00 H new ATOM 415 N ASP A 27 1.685 9.478 8.291 1.00 0.00 N ATOM 416 CA ASP A 27 2.154 9.327 6.873 1.00 0.00 C ATOM 417 C ASP A 27 1.771 7.946 6.305 1.00 0.00 C ATOM 418 O ASP A 27 2.525 7.354 5.559 1.00 0.00 O ATOM 419 CB ASP A 27 3.676 9.474 6.935 1.00 0.00 C ATOM 420 CG ASP A 27 4.034 10.863 7.466 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.575 11.833 6.886 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.761 10.933 8.443 1.00 0.00 O ATOM 0 HA ASP A 27 1.694 10.068 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.100 8.706 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.106 9.330 5.944 1.00 0.00 H new ATOM 427 N ILE A 28 0.609 7.428 6.653 1.00 0.00 N ATOM 428 CA ILE A 28 0.201 6.084 6.119 1.00 0.00 C ATOM 429 C ILE A 28 -0.790 6.239 4.943 1.00 0.00 C ATOM 430 O ILE A 28 -0.765 5.455 4.011 1.00 0.00 O ATOM 431 CB ILE A 28 -0.401 5.324 7.329 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.422 3.812 7.048 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.820 5.810 7.657 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.339 3.488 5.860 1.00 0.00 C ATOM 0 H ILE A 28 -0.065 7.873 7.276 1.00 0.00 H new ATOM 0 HA ILE A 28 1.040 5.525 5.704 1.00 0.00 H new ATOM 0 HB ILE A 28 0.232 5.527 8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.589 3.463 6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.766 3.278 7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.207 5.253 8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.794 6.873 7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.468 5.650 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.337 2.413 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.354 3.817 6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.978 4.004 4.970 1.00 0.00 H new ATOM 446 N LYS A 29 -1.641 7.243 4.953 1.00 0.00 N ATOM 447 CA LYS A 29 -2.581 7.420 3.796 1.00 0.00 C ATOM 448 C LYS A 29 -1.846 8.157 2.667 1.00 0.00 C ATOM 449 O LYS A 29 -2.035 7.853 1.503 1.00 0.00 O ATOM 450 CB LYS A 29 -3.768 8.249 4.309 1.00 0.00 C ATOM 451 CG LYS A 29 -5.051 7.795 3.610 1.00 0.00 C ATOM 452 CD LYS A 29 -6.263 8.373 4.343 1.00 0.00 C ATOM 453 CE LYS A 29 -6.684 7.423 5.468 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.987 8.311 6.626 1.00 0.00 N ATOM 0 H LYS A 29 -1.725 7.935 5.698 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.933 6.465 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.868 8.130 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.594 9.308 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.049 8.126 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.105 6.706 3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.019 9.353 4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.089 8.516 3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.556 6.834 5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.888 6.718 5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.283 7.733 7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.137 8.854 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.753 8.967 6.370 1.00 0.00 H new ATOM 468 N TYR A 30 -0.990 9.107 2.995 1.00 0.00 N ATOM 469 CA TYR A 30 -0.232 9.827 1.916 1.00 0.00 C ATOM 470 C TYR A 30 0.862 8.912 1.337 1.00 0.00 C ATOM 471 O TYR A 30 1.201 9.022 0.174 1.00 0.00 O ATOM 472 CB TYR A 30 0.397 11.069 2.564 1.00 0.00 C ATOM 473 CG TYR A 30 -0.673 12.110 2.799 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.230 12.796 1.714 1.00 0.00 C ATOM 475 CD2 TYR A 30 -1.107 12.386 4.101 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.222 13.760 1.931 1.00 0.00 C ATOM 477 CE2 TYR A 30 -2.099 13.349 4.318 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.657 14.036 3.233 1.00 0.00 C ATOM 479 OH TYR A 30 -3.636 14.986 3.447 1.00 0.00 O ATOM 0 H TYR A 30 -0.788 9.409 3.948 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.892 10.111 1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.871 10.800 3.508 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.177 11.473 1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.895 12.582 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.676 11.856 4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.652 14.291 1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.434 13.562 5.322 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.822 15.054 4.407 1.00 0.00 H new ATOM 489 N VAL A 31 1.416 8.001 2.125 1.00 0.00 N ATOM 490 CA VAL A 31 2.478 7.096 1.563 1.00 0.00 C ATOM 491 C VAL A 31 1.845 6.093 0.577 1.00 0.00 C ATOM 492 O VAL A 31 2.432 5.771 -0.438 1.00 0.00 O ATOM 493 CB VAL A 31 3.156 6.384 2.764 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.231 5.322 3.371 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.460 5.722 2.296 1.00 0.00 C ATOM 0 H VAL A 31 1.183 7.851 3.107 1.00 0.00 H new ATOM 0 HA VAL A 31 3.227 7.655 1.003 1.00 0.00 H new ATOM 0 HB VAL A 31 3.370 7.130 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.732 4.840 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.313 5.795 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.989 4.575 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.937 5.222 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.238 4.991 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.132 6.483 1.898 1.00 0.00 H new ATOM 505 N ALA A 32 0.648 5.608 0.857 1.00 0.00 N ATOM 506 CA ALA A 32 0.001 4.638 -0.100 1.00 0.00 C ATOM 507 C ALA A 32 -0.252 5.331 -1.447 1.00 0.00 C ATOM 508 O ALA A 32 -0.073 4.735 -2.493 1.00 0.00 O ATOM 509 CB ALA A 32 -1.329 4.204 0.534 1.00 0.00 C ATOM 0 H ALA A 32 0.102 5.836 1.688 1.00 0.00 H new ATOM 0 HA ALA A 32 0.641 3.775 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.834 3.499 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.136 3.727 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.963 5.078 0.684 1.00 0.00 H new ATOM 515 N GLU A 33 -0.658 6.588 -1.439 1.00 0.00 N ATOM 516 CA GLU A 33 -0.906 7.301 -2.747 1.00 0.00 C ATOM 517 C GLU A 33 0.384 7.310 -3.577 1.00 0.00 C ATOM 518 O GLU A 33 0.371 6.996 -4.753 1.00 0.00 O ATOM 519 CB GLU A 33 -1.328 8.738 -2.401 1.00 0.00 C ATOM 520 CG GLU A 33 -2.706 8.720 -1.738 1.00 0.00 C ATOM 521 CD GLU A 33 -3.344 10.106 -1.846 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.615 11.080 -1.758 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.550 10.171 -2.014 1.00 0.00 O ATOM 0 H GLU A 33 -0.826 7.143 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.681 6.804 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.597 9.192 -1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.355 9.348 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.342 7.977 -2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.614 8.431 -0.691 1.00 0.00 H new ATOM 530 N TYR A 34 1.502 7.645 -2.970 1.00 0.00 N ATOM 531 CA TYR A 34 2.797 7.639 -3.739 1.00 0.00 C ATOM 532 C TYR A 34 3.094 6.206 -4.207 1.00 0.00 C ATOM 533 O TYR A 34 3.536 5.993 -5.320 1.00 0.00 O ATOM 534 CB TYR A 34 3.891 8.140 -2.772 1.00 0.00 C ATOM 535 CG TYR A 34 5.270 8.096 -3.416 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.436 8.291 -4.800 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.391 7.874 -2.608 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.718 8.262 -5.362 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.671 7.843 -3.172 1.00 0.00 C ATOM 540 CZ TYR A 34 7.835 8.038 -4.549 1.00 0.00 C ATOM 541 OH TYR A 34 9.098 8.015 -5.103 1.00 0.00 O ATOM 0 H TYR A 34 1.577 7.919 -1.990 1.00 0.00 H new ATOM 0 HA TYR A 34 2.752 8.279 -4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.665 9.161 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.890 7.527 -1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.575 8.463 -5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.268 7.726 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.845 8.413 -6.424 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.533 7.669 -2.545 1.00 0.00 H new ATOM 0 HH TYR A 34 9.760 7.849 -4.400 1.00 0.00 H new ATOM 551 N ILE A 35 2.834 5.218 -3.371 1.00 0.00 N ATOM 552 CA ILE A 35 3.083 3.793 -3.795 1.00 0.00 C ATOM 553 C ILE A 35 2.215 3.483 -5.027 1.00 0.00 C ATOM 554 O ILE A 35 2.702 2.968 -6.016 1.00 0.00 O ATOM 555 CB ILE A 35 2.696 2.914 -2.586 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.712 3.147 -1.465 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.701 1.430 -2.967 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.253 2.431 -0.195 1.00 0.00 C ATOM 0 H ILE A 35 2.466 5.334 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 35 4.120 3.608 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 35 1.692 3.184 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.692 2.778 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.818 4.215 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.425 0.831 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.984 1.258 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.698 1.144 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.979 2.599 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.282 2.820 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.170 1.362 -0.390 1.00 0.00 H new ATOM 570 N VAL A 36 0.943 3.825 -4.989 1.00 0.00 N ATOM 571 CA VAL A 36 0.069 3.573 -6.193 1.00 0.00 C ATOM 572 C VAL A 36 0.606 4.400 -7.369 1.00 0.00 C ATOM 573 O VAL A 36 0.693 3.916 -8.482 1.00 0.00 O ATOM 574 CB VAL A 36 -1.354 4.024 -5.817 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.296 3.823 -7.008 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.851 3.193 -4.633 1.00 0.00 C ATOM 0 H VAL A 36 0.477 4.260 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 36 0.064 2.522 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.337 5.080 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.301 4.144 -6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.944 4.413 -7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.314 2.769 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.859 3.510 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.863 2.138 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.186 3.338 -3.782 1.00 0.00 H new ATOM 586 N LEU A 37 0.995 5.641 -7.128 1.00 0.00 N ATOM 587 CA LEU A 37 1.556 6.480 -8.250 1.00 0.00 C ATOM 588 C LEU A 37 2.773 5.761 -8.848 1.00 0.00 C ATOM 589 O LEU A 37 2.917 5.674 -10.053 1.00 0.00 O ATOM 590 CB LEU A 37 1.981 7.824 -7.636 1.00 0.00 C ATOM 591 CG LEU A 37 2.243 8.836 -8.752 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.938 9.550 -9.111 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.270 9.865 -8.274 1.00 0.00 C ATOM 0 H LEU A 37 0.949 6.102 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 37 0.823 6.638 -9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.201 8.194 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.879 7.692 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 37 2.627 8.317 -9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.125 10.271 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.204 8.818 -9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.554 10.069 -8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.458 10.587 -9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.884 10.383 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.200 9.358 -8.017 1.00 0.00 H new ATOM 605 N LEU A 38 3.635 5.207 -8.011 1.00 0.00 N ATOM 606 CA LEU A 38 4.820 4.455 -8.558 1.00 0.00 C ATOM 607 C LEU A 38 4.299 3.246 -9.351 1.00 0.00 C ATOM 608 O LEU A 38 4.764 2.956 -10.436 1.00 0.00 O ATOM 609 CB LEU A 38 5.648 3.977 -7.354 1.00 0.00 C ATOM 610 CG LEU A 38 6.238 5.181 -6.618 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.789 4.728 -5.263 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.370 5.783 -7.454 1.00 0.00 C ATOM 0 H LEU A 38 3.570 5.243 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 38 5.430 5.077 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.020 3.397 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.448 3.317 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 38 5.462 5.931 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.210 5.585 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.984 4.297 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.566 3.980 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.792 6.641 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.147 5.034 -7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.979 6.103 -8.420 1.00 0.00 H new ATOM 624 N ILE A 39 3.315 2.550 -8.815 1.00 0.00 N ATOM 625 CA ILE A 39 2.736 1.364 -9.544 1.00 0.00 C ATOM 626 C ILE A 39 2.171 1.834 -10.894 1.00 0.00 C ATOM 627 O ILE A 39 2.460 1.256 -11.925 1.00 0.00 O ATOM 628 CB ILE A 39 1.615 0.814 -8.626 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.246 0.193 -7.362 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.755 -0.229 -9.358 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.957 -1.128 -7.695 1.00 0.00 C ATOM 0 H ILE A 39 2.890 2.750 -7.910 1.00 0.00 H new ATOM 0 HA ILE A 39 3.477 0.591 -9.751 1.00 0.00 H new ATOM 0 HB ILE A 39 0.963 1.640 -8.342 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.958 0.893 -6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.473 0.016 -6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.022 -0.595 -8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.293 0.229 -10.232 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.383 -1.062 -9.674 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.393 -1.545 -6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.237 -1.834 -8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.745 -0.943 -8.425 1.00 0.00 H new ATOM 643 N VAL A 40 1.385 2.888 -10.897 1.00 0.00 N ATOM 644 CA VAL A 40 0.829 3.395 -12.203 1.00 0.00 C ATOM 645 C VAL A 40 1.986 3.834 -13.117 1.00 0.00 C ATOM 646 O VAL A 40 1.926 3.661 -14.321 1.00 0.00 O ATOM 647 CB VAL A 40 -0.077 4.596 -11.873 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.690 5.148 -13.164 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.200 4.152 -10.927 1.00 0.00 C ATOM 0 H VAL A 40 1.106 3.414 -10.068 1.00 0.00 H new ATOM 0 HA VAL A 40 0.263 2.620 -12.720 1.00 0.00 H new ATOM 0 HB VAL A 40 0.518 5.372 -11.391 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.331 5.998 -12.928 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.106 5.469 -13.836 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.282 4.371 -13.647 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.839 5.004 -10.696 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.793 3.373 -11.407 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.767 3.763 -10.006 1.00 0.00 H new ATOM 659 N ASN A 41 3.040 4.401 -12.560 1.00 0.00 N ATOM 660 CA ASN A 41 4.193 4.845 -13.424 1.00 0.00 C ATOM 661 C ASN A 41 4.760 3.659 -14.216 1.00 0.00 C ATOM 662 O ASN A 41 5.144 3.813 -15.362 1.00 0.00 O ATOM 663 CB ASN A 41 5.268 5.410 -12.480 1.00 0.00 C ATOM 664 CG ASN A 41 5.053 6.918 -12.301 1.00 0.00 C ATOM 665 OD1 ASN A 41 5.124 7.664 -13.258 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.791 7.407 -11.114 1.00 0.00 N ATOM 0 H ASN A 41 3.151 4.573 -11.561 1.00 0.00 H new ATOM 0 HA ASN A 41 3.867 5.596 -14.144 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.218 4.908 -11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.261 5.220 -12.887 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.648 8.410 -10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.730 6.785 -10.308 1.00 0.00 H new ATOM 673 N GLY A 42 4.823 2.481 -13.629 1.00 0.00 N ATOM 674 CA GLY A 42 5.378 1.310 -14.386 1.00 0.00 C ATOM 675 C GLY A 42 5.050 -0.003 -13.660 1.00 0.00 C ATOM 676 O GLY A 42 4.381 -0.863 -14.203 1.00 0.00 O ATOM 0 H GLY A 42 4.519 2.283 -12.675 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.961 1.290 -15.393 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.458 1.415 -14.490 1.00 0.00 H new ATOM 680 N GLY A 43 5.517 -0.165 -12.442 1.00 0.00 N ATOM 681 CA GLY A 43 5.232 -1.422 -11.696 1.00 0.00 C ATOM 682 C GLY A 43 6.522 -2.241 -11.565 1.00 0.00 C ATOM 683 O GLY A 43 6.572 -3.390 -11.959 1.00 0.00 O ATOM 0 H GLY A 43 6.081 0.520 -11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.834 -1.189 -10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.471 -2.003 -12.217 1.00 0.00 H new ATOM 687 N THR A 44 7.561 -1.666 -11.000 1.00 0.00 N ATOM 688 CA THR A 44 8.835 -2.419 -10.830 1.00 0.00 C ATOM 689 C THR A 44 9.248 -2.375 -9.350 1.00 0.00 C ATOM 690 O THR A 44 9.529 -1.319 -8.817 1.00 0.00 O ATOM 691 CB THR A 44 9.844 -1.688 -11.717 1.00 0.00 C ATOM 692 OG1 THR A 44 9.690 -0.284 -11.547 1.00 0.00 O ATOM 693 CG2 THR A 44 9.590 -2.061 -13.183 1.00 0.00 C ATOM 0 H THR A 44 7.575 -0.708 -10.651 1.00 0.00 H new ATOM 0 HA THR A 44 8.759 -3.470 -11.109 1.00 0.00 H new ATOM 0 HB THR A 44 10.858 -1.977 -11.439 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.337 0.187 -12.113 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.307 -1.542 -13.820 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.704 -3.138 -13.310 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.578 -1.768 -13.463 1.00 0.00 H new ATOM 701 N VAL A 45 9.261 -3.508 -8.670 1.00 0.00 N ATOM 702 CA VAL A 45 9.628 -3.502 -7.201 1.00 0.00 C ATOM 703 C VAL A 45 10.954 -2.750 -6.964 1.00 0.00 C ATOM 704 O VAL A 45 11.105 -2.075 -5.964 1.00 0.00 O ATOM 705 CB VAL A 45 9.760 -4.978 -6.759 1.00 0.00 C ATOM 706 CG1 VAL A 45 10.203 -5.048 -5.290 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.406 -5.682 -6.892 1.00 0.00 C ATOM 0 H VAL A 45 9.038 -4.424 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 45 8.861 -2.988 -6.622 1.00 0.00 H new ATOM 0 HB VAL A 45 10.500 -5.466 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.294 -6.091 -4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.167 -4.552 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.463 -4.551 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.504 -6.722 -6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.672 -5.181 -6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.077 -5.645 -7.931 1.00 0.00 H new ATOM 717 N GLU A 46 11.910 -2.857 -7.860 1.00 0.00 N ATOM 718 CA GLU A 46 13.210 -2.129 -7.634 1.00 0.00 C ATOM 719 C GLU A 46 12.969 -0.618 -7.684 1.00 0.00 C ATOM 720 O GLU A 46 13.282 0.090 -6.744 1.00 0.00 O ATOM 721 CB GLU A 46 14.170 -2.560 -8.754 1.00 0.00 C ATOM 722 CG GLU A 46 15.615 -2.380 -8.285 1.00 0.00 C ATOM 723 CD GLU A 46 16.513 -3.394 -8.997 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.264 -4.580 -8.851 1.00 0.00 O ATOM 725 OE2 GLU A 46 17.433 -2.968 -9.675 1.00 0.00 O ATOM 0 H GLU A 46 11.853 -3.403 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 46 13.633 -2.368 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.990 -3.601 -9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.991 -1.966 -9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.954 -1.366 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.678 -2.517 -7.206 1.00 0.00 H new ATOM 732 N SER A 47 12.400 -0.115 -8.759 1.00 0.00 N ATOM 733 CA SER A 47 12.132 1.364 -8.822 1.00 0.00 C ATOM 734 C SER A 47 11.057 1.737 -7.790 1.00 0.00 C ATOM 735 O SER A 47 11.107 2.801 -7.204 1.00 0.00 O ATOM 736 CB SER A 47 11.642 1.675 -10.242 1.00 0.00 C ATOM 737 OG SER A 47 12.001 3.008 -10.581 1.00 0.00 O ATOM 0 H SER A 47 12.115 -0.650 -9.579 1.00 0.00 H new ATOM 0 HA SER A 47 13.030 1.938 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.083 0.976 -10.953 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.561 1.551 -10.301 1.00 0.00 H new ATOM 0 HG SER A 47 11.568 3.631 -9.961 1.00 0.00 H new ATOM 743 N VAL A 48 10.089 0.870 -7.552 1.00 0.00 N ATOM 744 CA VAL A 48 9.029 1.204 -6.538 1.00 0.00 C ATOM 745 C VAL A 48 9.618 1.130 -5.121 1.00 0.00 C ATOM 746 O VAL A 48 9.292 1.943 -4.277 1.00 0.00 O ATOM 747 CB VAL A 48 7.894 0.175 -6.709 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.756 0.508 -5.743 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.362 0.223 -8.147 1.00 0.00 C ATOM 0 H VAL A 48 9.989 -0.037 -8.008 1.00 0.00 H new ATOM 0 HA VAL A 48 8.650 2.215 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 48 8.280 -0.822 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.953 -0.219 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.127 0.474 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.377 1.507 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.560 -0.506 -8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.979 1.221 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.169 -0.012 -8.841 1.00 0.00 H new ATOM 759 N VAL A 49 10.502 0.187 -4.853 1.00 0.00 N ATOM 760 CA VAL A 49 11.111 0.123 -3.478 1.00 0.00 C ATOM 761 C VAL A 49 12.187 1.217 -3.360 1.00 0.00 C ATOM 762 O VAL A 49 12.327 1.839 -2.322 1.00 0.00 O ATOM 763 CB VAL A 49 11.720 -1.287 -3.321 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.504 -1.383 -2.006 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.593 -2.323 -3.303 1.00 0.00 C ATOM 0 H VAL A 49 10.821 -0.525 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 49 10.375 0.294 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 49 12.394 -1.476 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.928 -2.382 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.307 -0.646 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.834 -1.189 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.018 -3.321 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.924 -2.119 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.034 -2.268 -4.237 1.00 0.00 H new ATOM 775 N ASP A 50 12.934 1.474 -4.416 1.00 0.00 N ATOM 776 CA ASP A 50 13.981 2.553 -4.342 1.00 0.00 C ATOM 777 C ASP A 50 13.309 3.930 -4.218 1.00 0.00 C ATOM 778 O ASP A 50 13.820 4.806 -3.543 1.00 0.00 O ATOM 779 CB ASP A 50 14.800 2.474 -5.640 1.00 0.00 C ATOM 780 CG ASP A 50 16.195 3.054 -5.399 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.843 2.618 -4.462 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.592 3.925 -6.157 1.00 0.00 O ATOM 0 H ASP A 50 12.866 0.992 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 50 14.623 2.416 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.877 1.438 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.297 3.026 -6.434 1.00 0.00 H new ATOM 787 N GLU A 51 12.165 4.136 -4.847 1.00 0.00 N ATOM 788 CA GLU A 51 11.489 5.478 -4.724 1.00 0.00 C ATOM 789 C GLU A 51 10.890 5.618 -3.321 1.00 0.00 C ATOM 790 O GLU A 51 11.007 6.655 -2.695 1.00 0.00 O ATOM 791 CB GLU A 51 10.378 5.542 -5.793 1.00 0.00 C ATOM 792 CG GLU A 51 10.820 6.457 -6.939 1.00 0.00 C ATOM 793 CD GLU A 51 10.279 5.918 -8.264 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.617 4.798 -8.608 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.534 6.635 -8.912 1.00 0.00 O ATOM 0 H GLU A 51 11.681 3.450 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 51 12.200 6.290 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.167 4.542 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.455 5.916 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.454 7.470 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.908 6.512 -6.974 1.00 0.00 H new ATOM 802 N LEU A 52 10.272 4.575 -2.807 1.00 0.00 N ATOM 803 CA LEU A 52 9.698 4.666 -1.421 1.00 0.00 C ATOM 804 C LEU A 52 10.843 4.676 -0.401 1.00 0.00 C ATOM 805 O LEU A 52 10.788 5.384 0.584 1.00 0.00 O ATOM 806 CB LEU A 52 8.806 3.433 -1.219 1.00 0.00 C ATOM 807 CG LEU A 52 7.618 3.501 -2.181 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.015 2.106 -2.345 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.560 4.451 -1.614 1.00 0.00 C ATOM 0 H LEU A 52 10.142 3.680 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 52 9.116 5.578 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.379 2.523 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.452 3.392 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 52 7.954 3.867 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.169 2.154 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.769 1.429 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.677 1.740 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.712 4.501 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.223 4.084 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.990 5.446 -1.496 1.00 0.00 H new ATOM 821 N ALA A 53 11.893 3.910 -0.635 1.00 0.00 N ATOM 822 CA ALA A 53 13.043 3.915 0.335 1.00 0.00 C ATOM 823 C ALA A 53 13.711 5.298 0.327 1.00 0.00 C ATOM 824 O ALA A 53 14.103 5.802 1.363 1.00 0.00 O ATOM 825 CB ALA A 53 14.034 2.841 -0.138 1.00 0.00 C ATOM 0 H ALA A 53 12.001 3.293 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 53 12.708 3.705 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.887 2.810 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.541 1.869 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.378 3.081 -1.144 1.00 0.00 H new ATOM 831 N SER A 54 13.839 5.924 -0.828 1.00 0.00 N ATOM 832 CA SER A 54 14.482 7.289 -0.871 1.00 0.00 C ATOM 833 C SER A 54 13.715 8.273 0.033 1.00 0.00 C ATOM 834 O SER A 54 14.308 9.142 0.643 1.00 0.00 O ATOM 835 CB SER A 54 14.425 7.762 -2.331 1.00 0.00 C ATOM 836 OG SER A 54 15.458 7.125 -3.071 1.00 0.00 O ATOM 0 H SER A 54 13.532 5.557 -1.729 1.00 0.00 H new ATOM 0 HA SER A 54 15.510 7.244 -0.512 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.453 7.526 -2.764 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.541 8.845 -2.380 1.00 0.00 H new ATOM 0 HG SER A 54 15.148 6.247 -3.376 1.00 0.00 H new ATOM 842 N LEU A 55 12.406 8.143 0.131 1.00 0.00 N ATOM 843 CA LEU A 55 11.625 9.081 1.008 1.00 0.00 C ATOM 844 C LEU A 55 11.385 8.439 2.383 1.00 0.00 C ATOM 845 O LEU A 55 11.489 9.095 3.403 1.00 0.00 O ATOM 846 CB LEU A 55 10.290 9.323 0.291 1.00 0.00 C ATOM 847 CG LEU A 55 10.415 10.539 -0.627 1.00 0.00 C ATOM 848 CD1 LEU A 55 10.898 10.088 -2.007 1.00 0.00 C ATOM 849 CD2 LEU A 55 9.049 11.215 -0.763 1.00 0.00 C ATOM 0 H LEU A 55 11.852 7.436 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 55 12.161 10.016 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.013 8.443 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.497 9.486 1.021 1.00 0.00 H new ATOM 0 HG LEU A 55 11.131 11.243 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.987 10.954 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.870 9.603 -1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.182 9.385 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.136 12.082 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.335 10.510 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.702 11.535 0.219 1.00 0.00 H new ATOM 861 N PHE A 56 11.071 7.162 2.421 1.00 0.00 N ATOM 862 CA PHE A 56 10.834 6.484 3.732 1.00 0.00 C ATOM 863 C PHE A 56 12.006 5.544 4.047 1.00 0.00 C ATOM 864 O PHE A 56 11.885 4.338 3.942 1.00 0.00 O ATOM 865 CB PHE A 56 9.531 5.691 3.558 1.00 0.00 C ATOM 866 CG PHE A 56 8.405 6.639 3.212 1.00 0.00 C ATOM 867 CD1 PHE A 56 7.956 7.566 4.158 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.816 6.592 1.942 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.919 8.450 3.835 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.780 7.475 1.619 1.00 0.00 C ATOM 871 CZ PHE A 56 6.331 8.403 2.565 1.00 0.00 C ATOM 0 H PHE A 56 10.970 6.565 1.601 1.00 0.00 H new ATOM 0 HA PHE A 56 10.757 7.193 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.648 4.947 2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.297 5.151 4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.409 7.600 5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.161 5.874 1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.573 9.167 4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.327 7.440 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.530 9.084 2.316 1.00 0.00 H new ATOM 881 N ASP A 57 13.142 6.087 4.442 1.00 0.00 N ATOM 882 CA ASP A 57 14.315 5.207 4.772 1.00 0.00 C ATOM 883 C ASP A 57 14.449 5.009 6.299 1.00 0.00 C ATOM 884 O ASP A 57 15.534 4.771 6.796 1.00 0.00 O ATOM 885 CB ASP A 57 15.559 5.916 4.198 1.00 0.00 C ATOM 886 CG ASP A 57 15.817 7.237 4.934 1.00 0.00 C ATOM 887 OD1 ASP A 57 15.292 8.248 4.498 1.00 0.00 O ATOM 888 OD2 ASP A 57 16.538 7.213 5.919 1.00 0.00 O ATOM 0 H ASP A 57 13.305 7.088 4.548 1.00 0.00 H new ATOM 0 HA ASP A 57 14.193 4.213 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.429 5.266 4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.416 6.108 3.135 1.00 0.00 H new ATOM 893 N SER A 58 13.363 5.090 7.047 1.00 0.00 N ATOM 894 CA SER A 58 13.461 4.888 8.533 1.00 0.00 C ATOM 895 C SER A 58 13.119 3.433 8.906 1.00 0.00 C ATOM 896 O SER A 58 13.669 2.892 9.847 1.00 0.00 O ATOM 897 CB SER A 58 12.450 5.854 9.161 1.00 0.00 C ATOM 898 OG SER A 58 12.501 5.733 10.576 1.00 0.00 O ATOM 0 H SER A 58 12.426 5.285 6.695 1.00 0.00 H new ATOM 0 HA SER A 58 14.472 5.080 8.893 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.675 6.878 8.864 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.445 5.631 8.801 1.00 0.00 H new ATOM 0 HG SER A 58 11.857 6.351 10.981 1.00 0.00 H new ATOM 904 N VAL A 59 12.225 2.789 8.180 1.00 0.00 N ATOM 905 CA VAL A 59 11.875 1.367 8.514 1.00 0.00 C ATOM 906 C VAL A 59 12.651 0.397 7.607 1.00 0.00 C ATOM 907 O VAL A 59 13.062 0.754 6.519 1.00 0.00 O ATOM 908 CB VAL A 59 10.352 1.232 8.308 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.974 1.429 6.832 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.907 -0.160 8.759 1.00 0.00 C ATOM 0 H VAL A 59 11.729 3.183 7.380 1.00 0.00 H new ATOM 0 HA VAL A 59 12.146 1.119 9.540 1.00 0.00 H new ATOM 0 HB VAL A 59 9.853 2.001 8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.895 1.328 6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.283 2.422 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.476 0.676 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.831 -0.262 8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.425 -0.916 8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.147 -0.295 9.814 1.00 0.00 H new ATOM 920 N SER A 60 12.867 -0.826 8.052 1.00 0.00 N ATOM 921 CA SER A 60 13.637 -1.815 7.205 1.00 0.00 C ATOM 922 C SER A 60 13.049 -1.902 5.783 1.00 0.00 C ATOM 923 O SER A 60 11.849 -1.837 5.600 1.00 0.00 O ATOM 924 CB SER A 60 13.513 -3.177 7.904 1.00 0.00 C ATOM 925 OG SER A 60 14.456 -3.247 8.966 1.00 0.00 O ATOM 0 H SER A 60 12.549 -1.182 8.953 1.00 0.00 H new ATOM 0 HA SER A 60 14.677 -1.505 7.106 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.502 -3.310 8.290 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.690 -3.982 7.191 1.00 0.00 H new ATOM 0 HG SER A 60 14.379 -4.114 9.416 1.00 0.00 H new ATOM 931 N ARG A 61 13.889 -2.058 4.774 1.00 0.00 N ATOM 932 CA ARG A 61 13.369 -2.156 3.358 1.00 0.00 C ATOM 933 C ARG A 61 12.284 -3.242 3.247 1.00 0.00 C ATOM 934 O ARG A 61 11.354 -3.110 2.474 1.00 0.00 O ATOM 935 CB ARG A 61 14.569 -2.526 2.473 1.00 0.00 C ATOM 936 CG ARG A 61 15.527 -1.336 2.386 1.00 0.00 C ATOM 937 CD ARG A 61 15.204 -0.509 1.138 1.00 0.00 C ATOM 938 NE ARG A 61 16.313 0.480 1.036 1.00 0.00 N ATOM 939 CZ ARG A 61 17.229 0.341 0.117 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.107 -0.620 0.210 1.00 0.00 N ATOM 941 NH2 ARG A 61 17.268 1.163 -0.896 1.00 0.00 N ATOM 0 H ARG A 61 14.903 -2.121 4.868 1.00 0.00 H new ATOM 0 HA ARG A 61 12.919 -1.212 3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.085 -3.392 2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.227 -2.804 1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.437 -0.717 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.558 -1.688 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.153 -1.138 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.239 -0.012 1.232 1.00 0.00 H new ATOM 0 HE ARG A 61 16.357 1.266 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.077 -1.263 1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.823 -0.728 -0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.582 1.915 -0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.984 1.054 -1.614 1.00 0.00 H new ATOM 955 N ASP A 62 12.393 -4.314 4.007 1.00 0.00 N ATOM 956 CA ASP A 62 11.348 -5.402 3.922 1.00 0.00 C ATOM 957 C ASP A 62 9.949 -4.825 4.192 1.00 0.00 C ATOM 958 O ASP A 62 8.981 -5.233 3.577 1.00 0.00 O ATOM 959 CB ASP A 62 11.704 -6.446 4.992 1.00 0.00 C ATOM 960 CG ASP A 62 11.188 -7.819 4.557 1.00 0.00 C ATOM 961 OD1 ASP A 62 11.912 -8.507 3.855 1.00 0.00 O ATOM 962 OD2 ASP A 62 10.080 -8.161 4.933 1.00 0.00 O ATOM 0 H ASP A 62 13.147 -4.484 4.673 1.00 0.00 H new ATOM 0 HA ASP A 62 11.334 -5.848 2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.784 -6.481 5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.263 -6.166 5.949 1.00 0.00 H new ATOM 967 N THR A 63 9.829 -3.876 5.099 1.00 0.00 N ATOM 968 CA THR A 63 8.471 -3.287 5.379 1.00 0.00 C ATOM 969 C THR A 63 7.989 -2.507 4.148 1.00 0.00 C ATOM 970 O THR A 63 6.839 -2.609 3.760 1.00 0.00 O ATOM 971 CB THR A 63 8.629 -2.348 6.590 1.00 0.00 C ATOM 972 OG1 THR A 63 9.060 -3.101 7.719 1.00 0.00 O ATOM 973 CG2 THR A 63 7.287 -1.681 6.908 1.00 0.00 C ATOM 0 H THR A 63 10.597 -3.489 5.648 1.00 0.00 H new ATOM 0 HA THR A 63 7.735 -4.062 5.594 1.00 0.00 H new ATOM 0 HB THR A 63 9.367 -1.581 6.356 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.722 -2.684 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.404 -1.018 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.954 -1.104 6.045 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.546 -2.446 7.140 1.00 0.00 H new ATOM 981 N LEU A 64 8.857 -1.744 3.522 1.00 0.00 N ATOM 982 CA LEU A 64 8.423 -0.978 2.301 1.00 0.00 C ATOM 983 C LEU A 64 8.142 -1.968 1.166 1.00 0.00 C ATOM 984 O LEU A 64 7.147 -1.858 0.473 1.00 0.00 O ATOM 985 CB LEU A 64 9.582 -0.039 1.917 1.00 0.00 C ATOM 986 CG LEU A 64 9.932 0.875 3.105 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.382 0.635 3.535 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.769 2.343 2.694 1.00 0.00 C ATOM 0 H LEU A 64 9.831 -1.618 3.796 1.00 0.00 H new ATOM 0 HA LEU A 64 7.517 -0.402 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.455 -0.624 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.302 0.564 1.053 1.00 0.00 H new ATOM 0 HG LEU A 64 9.262 0.649 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.624 1.285 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.506 -0.406 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.050 0.856 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.018 2.987 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.436 2.564 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.738 2.524 2.391 1.00 0.00 H new ATOM 1000 N ALA A 65 9.002 -2.947 0.980 1.00 0.00 N ATOM 1001 CA ALA A 65 8.756 -3.957 -0.110 1.00 0.00 C ATOM 1002 C ALA A 65 7.429 -4.692 0.146 1.00 0.00 C ATOM 1003 O ALA A 65 6.709 -5.010 -0.782 1.00 0.00 O ATOM 1004 CB ALA A 65 9.928 -4.952 -0.069 1.00 0.00 C ATOM 0 H ALA A 65 9.852 -3.091 1.526 1.00 0.00 H new ATOM 0 HA ALA A 65 8.689 -3.474 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.793 -5.706 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.864 -4.419 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.960 -5.437 0.907 1.00 0.00 H new ATOM 1010 N ASN A 66 7.094 -4.962 1.396 1.00 0.00 N ATOM 1011 CA ASN A 66 5.796 -5.677 1.681 1.00 0.00 C ATOM 1012 C ASN A 66 4.615 -4.849 1.153 1.00 0.00 C ATOM 1013 O ASN A 66 3.694 -5.391 0.570 1.00 0.00 O ATOM 1014 CB ASN A 66 5.697 -5.830 3.207 1.00 0.00 C ATOM 1015 CG ASN A 66 6.361 -7.145 3.633 1.00 0.00 C ATOM 1016 OD1 ASN A 66 6.276 -8.133 2.929 1.00 0.00 O ATOM 1017 ND2 ASN A 66 7.023 -7.209 4.763 1.00 0.00 N ATOM 0 H ASN A 66 7.651 -4.723 2.216 1.00 0.00 H new ATOM 0 HA ASN A 66 5.767 -6.650 1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.183 -4.988 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.652 -5.821 3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.463 -8.084 5.047 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.098 -6.384 5.358 1.00 0.00 H new ATOM 1024 N VAL A 67 4.634 -3.542 1.336 1.00 0.00 N ATOM 1025 CA VAL A 67 3.493 -2.709 0.812 1.00 0.00 C ATOM 1026 C VAL A 67 3.571 -2.655 -0.725 1.00 0.00 C ATOM 1027 O VAL A 67 2.562 -2.728 -1.401 1.00 0.00 O ATOM 1028 CB VAL A 67 3.639 -1.307 1.424 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.510 -0.406 0.920 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.557 -1.408 2.951 1.00 0.00 C ATOM 0 H VAL A 67 5.372 -3.026 1.814 1.00 0.00 H new ATOM 0 HA VAL A 67 2.525 -3.132 1.082 1.00 0.00 H new ATOM 0 HB VAL A 67 4.601 -0.885 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.616 0.588 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.560 -0.333 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.549 -0.830 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.660 -0.415 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.594 -1.831 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.358 -2.050 3.317 1.00 0.00 H new ATOM 1040 N VAL A 68 4.760 -2.558 -1.287 1.00 0.00 N ATOM 1041 CA VAL A 68 4.872 -2.541 -2.789 1.00 0.00 C ATOM 1042 C VAL A 68 4.435 -3.915 -3.336 1.00 0.00 C ATOM 1043 O VAL A 68 3.804 -3.995 -4.372 1.00 0.00 O ATOM 1044 CB VAL A 68 6.356 -2.267 -3.115 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.592 -2.360 -4.626 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.727 -0.863 -2.633 1.00 0.00 C ATOM 0 H VAL A 68 5.643 -2.491 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 68 4.238 -1.779 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 68 6.974 -3.010 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.642 -2.165 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.329 -3.359 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.973 -1.623 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.774 -0.665 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.100 -0.128 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.571 -0.795 -1.556 1.00 0.00 H new ATOM 1056 N GLN A 69 4.761 -4.998 -2.647 1.00 0.00 N ATOM 1057 CA GLN A 69 4.345 -6.354 -3.153 1.00 0.00 C ATOM 1058 C GLN A 69 2.815 -6.468 -3.172 1.00 0.00 C ATOM 1059 O GLN A 69 2.241 -6.900 -4.155 1.00 0.00 O ATOM 1060 CB GLN A 69 4.942 -7.393 -2.189 1.00 0.00 C ATOM 1061 CG GLN A 69 4.941 -8.770 -2.855 1.00 0.00 C ATOM 1062 CD GLN A 69 6.174 -9.560 -2.400 1.00 0.00 C ATOM 1063 OE1 GLN A 69 6.454 -9.634 -1.220 1.00 0.00 O ATOM 1064 NE2 GLN A 69 6.930 -10.159 -3.287 1.00 0.00 N ATOM 0 H GLN A 69 5.287 -5.000 -1.773 1.00 0.00 H new ATOM 0 HA GLN A 69 4.701 -6.515 -4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.959 -7.110 -1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.362 -7.424 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.032 -9.312 -2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.946 -8.661 -3.940 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.698 -10.099 -4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.750 -10.685 -2.986 1.00 0.00 H new ATOM 1073 N THR A 70 2.145 -6.087 -2.103 1.00 0.00 N ATOM 1074 CA THR A 70 0.640 -6.189 -2.104 1.00 0.00 C ATOM 1075 C THR A 70 0.042 -5.306 -3.213 1.00 0.00 C ATOM 1076 O THR A 70 -0.992 -5.633 -3.765 1.00 0.00 O ATOM 1077 CB THR A 70 0.139 -5.752 -0.714 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.275 -5.864 -0.670 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.540 -4.305 -0.431 1.00 0.00 C ATOM 0 H THR A 70 2.561 -5.718 -1.248 1.00 0.00 H new ATOM 0 HA THR A 70 0.326 -7.213 -2.305 1.00 0.00 H new ATOM 0 HB THR A 70 0.589 -6.396 0.042 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.598 -5.588 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.178 -4.013 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.626 -4.216 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.103 -3.652 -1.186 1.00 0.00 H new ATOM 1087 N ALA A 71 0.681 -4.203 -3.568 1.00 0.00 N ATOM 1088 CA ALA A 71 0.116 -3.346 -4.671 1.00 0.00 C ATOM 1089 C ALA A 71 0.158 -4.137 -5.987 1.00 0.00 C ATOM 1090 O ALA A 71 -0.780 -4.103 -6.763 1.00 0.00 O ATOM 1091 CB ALA A 71 0.999 -2.092 -4.776 1.00 0.00 C ATOM 0 H ALA A 71 1.549 -3.867 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.917 -3.063 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.620 -1.445 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.982 -1.554 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.023 -2.386 -5.008 1.00 0.00 H new ATOM 1097 N PHE A 72 1.234 -4.862 -6.244 1.00 0.00 N ATOM 1098 CA PHE A 72 1.304 -5.663 -7.517 1.00 0.00 C ATOM 1099 C PHE A 72 0.180 -6.706 -7.521 1.00 0.00 C ATOM 1100 O PHE A 72 -0.543 -6.836 -8.492 1.00 0.00 O ATOM 1101 CB PHE A 72 2.677 -6.353 -7.534 1.00 0.00 C ATOM 1102 CG PHE A 72 3.715 -5.359 -7.986 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.726 -4.926 -9.315 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.656 -4.859 -7.079 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.678 -3.995 -9.738 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.606 -3.925 -7.502 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.620 -3.493 -8.829 1.00 0.00 C ATOM 0 H PHE A 72 2.051 -4.932 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 72 1.183 -5.031 -8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.922 -6.729 -6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.659 -7.212 -8.205 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.999 -5.311 -10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.648 -5.195 -6.053 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.688 -3.662 -10.765 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.330 -3.537 -6.801 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.356 -2.773 -9.155 1.00 0.00 H new ATOM 1117 N PHE A 73 0.008 -7.437 -6.436 1.00 0.00 N ATOM 1118 CA PHE A 73 -1.103 -8.453 -6.396 1.00 0.00 C ATOM 1119 C PHE A 73 -2.453 -7.737 -6.574 1.00 0.00 C ATOM 1120 O PHE A 73 -3.340 -8.241 -7.239 1.00 0.00 O ATOM 1121 CB PHE A 73 -1.040 -9.131 -5.017 1.00 0.00 C ATOM 1122 CG PHE A 73 -0.043 -10.263 -5.059 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -0.315 -11.409 -5.814 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.157 -10.167 -4.342 1.00 0.00 C ATOM 1125 CE1 PHE A 73 0.608 -12.460 -5.853 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.081 -11.217 -4.380 1.00 0.00 C ATOM 1127 CZ PHE A 73 1.808 -12.363 -5.136 1.00 0.00 C ATOM 0 H PHE A 73 0.577 -7.376 -5.592 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.999 -9.191 -7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.751 -8.406 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.024 -9.509 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.239 -11.483 -6.368 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.369 -9.282 -3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.396 -13.345 -6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.005 -11.143 -3.826 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.522 -13.172 -5.167 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.617 -6.560 -5.993 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.922 -5.825 -6.155 1.00 0.00 C ATOM 1139 C ALA A 74 -4.169 -5.531 -7.640 1.00 0.00 C ATOM 1140 O ALA A 74 -5.269 -5.703 -8.131 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.798 -4.512 -5.367 1.00 0.00 C ATOM 0 H ALA A 74 -1.916 -6.086 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.758 -6.419 -5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.725 -3.945 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.609 -4.734 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.972 -3.924 -5.768 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.158 -5.092 -8.367 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.370 -4.798 -9.833 1.00 0.00 C ATOM 1149 C LEU A 75 -3.877 -6.057 -10.553 1.00 0.00 C ATOM 1150 O LEU A 75 -4.753 -5.981 -11.395 1.00 0.00 O ATOM 1151 CB LEU A 75 -2.012 -4.373 -10.418 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.942 -2.847 -10.500 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.533 -2.426 -10.921 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -2.958 -2.342 -11.533 1.00 0.00 C ATOM 0 H LEU A 75 -2.214 -4.927 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.111 -4.009 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.202 -4.751 -9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.880 -4.807 -11.409 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.174 -2.419 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.481 -1.339 -10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.189 -2.785 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.302 -2.854 -11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.908 -1.255 -11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.727 -2.769 -12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.962 -2.643 -11.234 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.342 -7.215 -10.225 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.822 -8.471 -10.903 1.00 0.00 C ATOM 1168 C GLU A 76 -5.268 -8.761 -10.482 1.00 0.00 C ATOM 1169 O GLU A 76 -6.089 -9.135 -11.299 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.893 -9.609 -10.448 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.246 -10.890 -11.205 1.00 0.00 C ATOM 1172 CD GLU A 76 -2.831 -12.106 -10.374 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -1.706 -12.120 -9.902 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -3.645 -13.002 -10.224 1.00 0.00 O ATOM 0 H GLU A 76 -2.607 -7.345 -9.530 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.801 -8.370 -11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.853 -9.340 -10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.995 -9.769 -9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.317 -10.922 -11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.739 -10.906 -12.170 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.594 -8.578 -9.219 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.009 -8.836 -8.773 1.00 0.00 C ATOM 1183 C ALA A 77 -7.941 -7.796 -9.407 1.00 0.00 C ATOM 1184 O ALA A 77 -9.026 -8.123 -9.850 1.00 0.00 O ATOM 1185 CB ALA A 77 -7.027 -8.708 -7.242 1.00 0.00 C ATOM 0 H ALA A 77 -4.954 -8.267 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.349 -9.826 -9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.037 -8.888 -6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.347 -9.440 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.710 -7.705 -6.957 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.525 -6.547 -9.470 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.409 -5.502 -10.101 1.00 0.00 C ATOM 1193 C LEU A 78 -8.645 -5.852 -11.578 1.00 0.00 C ATOM 1194 O LEU A 78 -9.737 -5.682 -12.088 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.672 -4.155 -9.988 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.131 -3.429 -8.723 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -7.298 -2.160 -8.533 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.609 -3.054 -8.858 1.00 0.00 C ATOM 0 H LEU A 78 -6.629 -6.209 -9.119 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.377 -5.453 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.595 -4.319 -9.956 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.875 -3.542 -10.866 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.999 -4.083 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.625 -1.642 -7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.245 -2.427 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.429 -1.506 -9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.937 -2.536 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.741 -2.400 -9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.203 -3.958 -8.994 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.635 -6.344 -12.273 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.835 -6.704 -13.724 1.00 0.00 C ATOM 1212 C GLN A 79 -8.969 -7.736 -13.877 1.00 0.00 C ATOM 1213 O GLN A 79 -9.661 -7.744 -14.878 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.508 -7.305 -14.219 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.505 -6.181 -14.483 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.105 -6.778 -14.669 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -3.934 -7.725 -15.411 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.084 -6.265 -14.025 1.00 0.00 N ATOM 0 H GLN A 79 -6.698 -6.509 -11.906 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.113 -5.824 -14.304 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.109 -7.995 -13.475 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.674 -7.880 -15.130 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.795 -5.622 -15.373 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.504 -5.477 -13.651 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.222 -5.470 -13.401 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.152 -6.661 -14.148 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.169 -8.606 -12.903 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.269 -9.622 -13.029 1.00 0.00 C ATOM 1229 C GLN A 80 -11.560 -9.095 -12.388 1.00 0.00 C ATOM 1230 O GLN A 80 -12.639 -9.289 -12.916 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.778 -10.878 -12.296 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.383 -12.121 -12.952 1.00 0.00 C ATOM 1233 CD GLN A 80 -10.150 -13.341 -12.051 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -11.088 -13.894 -11.512 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -8.934 -13.791 -11.861 1.00 0.00 N ATOM 0 H GLN A 80 -8.626 -8.654 -12.041 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.494 -9.837 -14.074 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.690 -10.929 -12.329 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.063 -10.833 -11.245 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -11.451 -11.975 -13.116 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.930 -12.286 -13.930 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.143 -13.330 -12.311 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.778 -14.602 -11.263 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.465 -8.428 -11.257 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.695 -7.893 -10.600 1.00 0.00 C ATOM 1246 C GLY A 81 -12.629 -8.139 -9.085 1.00 0.00 C ATOM 1247 O GLY A 81 -13.237 -9.063 -8.579 1.00 0.00 O ATOM 0 H GLY A 81 -10.592 -8.234 -10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.789 -6.826 -10.800 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.579 -8.375 -11.017 1.00 0.00 H new ATOM 1251 N GLU A 82 -11.905 -7.315 -8.353 1.00 0.00 N ATOM 1252 CA GLU A 82 -11.818 -7.509 -6.873 1.00 0.00 C ATOM 1253 C GLU A 82 -12.405 -6.286 -6.150 1.00 0.00 C ATOM 1254 O GLU A 82 -12.664 -5.268 -6.765 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.323 -7.641 -6.576 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.111 -8.695 -5.485 1.00 0.00 C ATOM 1257 CD GLU A 82 -8.926 -8.291 -4.606 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -9.003 -7.243 -3.987 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -7.961 -9.037 -4.567 1.00 0.00 O ATOM 0 H GLU A 82 -11.376 -6.523 -8.719 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.377 -8.382 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.785 -7.925 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.919 -6.681 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.011 -8.791 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.926 -9.669 -5.937 1.00 0.00 H new ATOM 1266 N SER A 83 -12.622 -6.370 -4.851 1.00 0.00 N ATOM 1267 CA SER A 83 -13.193 -5.201 -4.114 1.00 0.00 C ATOM 1268 C SER A 83 -12.171 -4.644 -3.113 1.00 0.00 C ATOM 1269 O SER A 83 -11.520 -5.392 -2.407 1.00 0.00 O ATOM 1270 CB SER A 83 -14.415 -5.743 -3.375 1.00 0.00 C ATOM 1271 OG SER A 83 -15.433 -6.060 -4.316 1.00 0.00 O ATOM 0 H SER A 83 -12.428 -7.192 -4.279 1.00 0.00 H new ATOM 0 HA SER A 83 -13.453 -4.387 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.144 -6.630 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.780 -5.004 -2.662 1.00 0.00 H new ATOM 0 HG SER A 83 -16.217 -6.410 -3.844 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.028 -3.337 -3.039 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.045 -2.742 -2.071 1.00 0.00 C ATOM 1279 C ALA A 84 -11.754 -2.249 -0.790 1.00 0.00 C ATOM 1280 O ALA A 84 -11.180 -2.290 0.282 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.387 -1.568 -2.810 1.00 0.00 C ATOM 0 H ALA A 84 -12.545 -2.662 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.310 -3.481 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.657 -1.090 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.886 -1.936 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.150 -0.843 -3.094 1.00 0.00 H new ATOM 1287 N GLU A 85 -12.986 -1.779 -0.882 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.693 -1.285 0.359 1.00 0.00 C ATOM 1289 C GLU A 85 -13.755 -2.391 1.425 1.00 0.00 C ATOM 1290 O GLU A 85 -13.619 -2.124 2.604 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.115 -0.886 -0.068 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.095 0.525 -0.658 1.00 0.00 C ATOM 1293 CD GLU A 85 -14.920 0.442 -2.175 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -15.899 0.168 -2.851 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -13.810 0.653 -2.637 1.00 0.00 O ATOM 0 H GLU A 85 -13.525 -1.716 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.159 -0.440 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.497 -1.594 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.787 -0.923 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.022 1.045 -0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.282 1.103 -0.219 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.959 -3.630 1.026 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.027 -4.742 2.045 1.00 0.00 C ATOM 1304 C ASN A 86 -12.728 -4.792 2.868 1.00 0.00 C ATOM 1305 O ASN A 86 -12.761 -5.040 4.059 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.204 -6.054 1.262 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.658 -6.174 0.788 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.565 -5.743 1.472 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -15.926 -6.745 -0.362 1.00 0.00 N ATOM 0 H ASN A 86 -14.080 -3.919 0.055 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.853 -4.583 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.529 -6.074 0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.944 -6.904 1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.892 -6.826 -0.678 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.168 -7.108 -0.940 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.588 -4.552 2.253 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.302 -4.585 3.038 1.00 0.00 C ATOM 1318 C ILE A 87 -10.308 -3.469 4.100 1.00 0.00 C ATOM 1319 O ILE A 87 -9.813 -3.658 5.196 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.157 -4.369 2.031 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.173 -5.493 0.987 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.813 -4.383 2.765 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.790 -4.928 -0.384 1.00 0.00 C ATOM 0 H ILE A 87 -11.491 -4.338 1.260 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.180 -5.535 3.558 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.292 -3.407 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.476 -6.280 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.163 -5.946 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.006 -4.230 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.796 -3.585 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.680 -5.344 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.802 -5.728 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.504 -4.157 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.791 -4.496 -0.333 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.865 -2.310 3.794 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.887 -1.203 4.820 1.00 0.00 C ATOM 1337 C VAL A 88 -11.664 -1.656 6.067 1.00 0.00 C ATOM 1338 O VAL A 88 -11.296 -1.321 7.178 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.575 0.011 4.166 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.613 1.186 5.151 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.788 0.429 2.923 1.00 0.00 C ATOM 0 H VAL A 88 -11.297 -2.086 2.898 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.876 -0.944 5.136 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.593 -0.263 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.101 2.040 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.169 0.896 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.596 1.459 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.272 1.288 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.771 0.697 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.759 -0.399 2.215 1.00 0.00 H new ATOM 1351 N SER A 89 -12.730 -2.419 5.904 1.00 0.00 N ATOM 1352 CA SER A 89 -13.506 -2.884 7.116 1.00 0.00 C ATOM 1353 C SER A 89 -12.563 -3.625 8.076 1.00 0.00 C ATOM 1354 O SER A 89 -12.610 -3.423 9.275 1.00 0.00 O ATOM 1355 CB SER A 89 -14.602 -3.834 6.608 1.00 0.00 C ATOM 1356 OG SER A 89 -15.457 -4.182 7.688 1.00 0.00 O ATOM 0 H SER A 89 -13.092 -2.735 5.004 1.00 0.00 H new ATOM 0 HA SER A 89 -13.945 -2.043 7.653 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.176 -3.355 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.153 -4.731 6.181 1.00 0.00 H new ATOM 0 HG SER A 89 -16.159 -4.787 7.368 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.687 -4.462 7.554 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.724 -5.184 8.459 1.00 0.00 C ATOM 1364 C LYS A 90 -9.698 -4.186 9.017 1.00 0.00 C ATOM 1365 O LYS A 90 -9.279 -4.302 10.155 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.025 -6.254 7.606 1.00 0.00 C ATOM 1367 CG LYS A 90 -10.872 -7.527 7.588 1.00 0.00 C ATOM 1368 CD LYS A 90 -11.809 -7.501 6.379 1.00 0.00 C ATOM 1369 CE LYS A 90 -12.581 -8.821 6.302 1.00 0.00 C ATOM 1370 NZ LYS A 90 -11.623 -9.792 5.704 1.00 0.00 N ATOM 0 H LYS A 90 -11.598 -4.673 6.560 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.238 -5.644 9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.880 -5.887 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.036 -6.468 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.227 -8.405 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.451 -7.604 8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.504 -6.665 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.236 -7.349 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.907 -9.146 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.476 -8.720 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.949 -10.061 4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.682 -9.354 5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.568 -10.640 6.304 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.298 -3.194 8.240 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.309 -2.193 8.771 1.00 0.00 C ATOM 1386 C ILE A 91 -8.990 -1.310 9.825 1.00 0.00 C ATOM 1387 O ILE A 91 -8.392 -0.973 10.830 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.835 -1.346 7.570 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.169 -2.247 6.516 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.827 -0.297 8.045 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.009 -3.032 7.146 1.00 0.00 C ATOM 0 H ILE A 91 -9.608 -3.038 7.281 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.459 -2.683 9.246 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.699 -0.852 7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.903 -2.938 6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.800 -1.640 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.494 0.299 7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.298 0.353 8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.969 -0.795 8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.546 -3.666 6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.269 -2.335 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.388 -3.653 7.958 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.238 -0.939 9.617 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.934 -0.082 10.642 1.00 0.00 C ATOM 1405 C ARG A 92 -11.020 -0.835 11.977 1.00 0.00 C ATOM 1406 O ARG A 92 -10.850 -0.248 13.029 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.344 0.211 10.101 1.00 0.00 C ATOM 1408 CG ARG A 92 -13.072 1.156 11.059 1.00 0.00 C ATOM 1409 CD ARG A 92 -12.886 2.601 10.593 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.199 3.258 10.840 1.00 0.00 N ATOM 1411 CZ ARG A 92 -14.339 4.080 11.844 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -14.227 3.642 13.068 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -14.591 5.342 11.623 1.00 0.00 N ATOM 0 H ARG A 92 -10.796 -1.186 8.799 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.389 0.846 10.815 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.279 0.660 9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.904 -0.718 9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.133 0.908 11.094 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.683 1.036 12.070 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.087 3.095 11.147 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.616 2.644 9.538 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.989 3.066 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.030 2.656 13.241 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.337 4.285 13.852 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.678 5.685 10.666 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.701 5.985 12.407 1.00 0.00 H new ATOM 1427 N MET A 93 -11.262 -2.130 11.949 1.00 0.00 N ATOM 1428 CA MET A 93 -11.331 -2.896 13.243 1.00 0.00 C ATOM 1429 C MET A 93 -9.916 -3.054 13.816 1.00 0.00 C ATOM 1430 O MET A 93 -9.711 -2.929 15.009 1.00 0.00 O ATOM 1431 CB MET A 93 -11.940 -4.269 12.920 1.00 0.00 C ATOM 1432 CG MET A 93 -12.861 -4.701 14.063 1.00 0.00 C ATOM 1433 SD MET A 93 -11.867 -5.085 15.527 1.00 0.00 S ATOM 1434 CE MET A 93 -12.881 -6.456 16.135 1.00 0.00 C ATOM 0 H MET A 93 -11.412 -2.681 11.104 1.00 0.00 H new ATOM 0 HA MET A 93 -11.939 -2.377 13.984 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.500 -4.219 11.986 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.149 -5.005 12.778 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.572 -3.907 14.291 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.442 -5.574 13.766 1.00 0.00 H new ATOM 0 HE1 MET A 93 -12.444 -6.853 17.051 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.890 -6.099 16.340 1.00 0.00 H new ATOM 0 HE3 MET A 93 -12.920 -7.242 15.381 1.00 0.00 H new ATOM 1444 N MET A 94 -8.933 -3.309 12.974 1.00 0.00 N ATOM 1445 CA MET A 94 -7.530 -3.448 13.496 1.00 0.00 C ATOM 1446 C MET A 94 -6.999 -2.071 13.921 1.00 0.00 C ATOM 1447 O MET A 94 -6.310 -1.954 14.918 1.00 0.00 O ATOM 1448 CB MET A 94 -6.680 -4.019 12.350 1.00 0.00 C ATOM 1449 CG MET A 94 -6.945 -5.520 12.218 1.00 0.00 C ATOM 1450 SD MET A 94 -5.587 -6.296 11.307 1.00 0.00 S ATOM 1451 CE MET A 94 -4.281 -5.957 12.514 1.00 0.00 C ATOM 0 H MET A 94 -9.039 -3.425 11.966 1.00 0.00 H new ATOM 0 HA MET A 94 -7.493 -4.105 14.365 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.922 -3.512 11.416 1.00 0.00 H new ATOM 0 HB3 MET A 94 -5.622 -3.841 12.544 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.039 -5.972 13.206 1.00 0.00 H new ATOM 0 HG3 MET A 94 -7.888 -5.689 11.699 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.612 -6.815 12.577 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.716 -5.079 12.201 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.728 -5.772 13.491 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.327 -1.022 13.189 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.838 0.343 13.596 1.00 0.00 C ATOM 1463 C ASN A 95 -7.567 0.789 14.873 1.00 0.00 C ATOM 1464 O ASN A 95 -6.973 1.400 15.743 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.147 1.303 12.434 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.951 1.349 11.473 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.719 0.343 10.663 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.213 2.315 11.458 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.900 -1.050 12.345 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.768 0.335 13.804 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.040 0.973 11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.356 2.301 12.819 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.388 3.100 12.085 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.419 2.340 10.818 1.00 0.00 H new