USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 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 12 THR OG1 : rot -87:sc= 0.408 USER MOD Set 1.2: A 41 CYS SG : rot 123:sc= -5.66! USER MOD Single : A 13 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.084) USER MOD Single : A 14 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.49) USER MOD Single : A 25 LYS NZ :NH3+ -135:sc=-0.000865 (180deg=-0.311) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -160:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.205) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.5 X(o=-2.5,f=-2.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 78:sc= 1.87 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 146.053 -7.360 10.251 1.00 0.00 N ATOM 50 CA GLU A 4 146.141 -7.688 8.831 1.00 0.00 C ATOM 51 C GLU A 4 144.797 -7.473 8.144 1.00 0.00 C ATOM 52 O GLU A 4 143.893 -6.854 8.705 1.00 0.00 O ATOM 53 CB GLU A 4 146.598 -9.136 8.646 1.00 0.00 C ATOM 54 CG GLU A 4 147.763 -9.526 9.541 1.00 0.00 C ATOM 55 CD GLU A 4 147.499 -10.792 10.331 1.00 0.00 C ATOM 56 OE1 GLU A 4 146.409 -10.902 10.932 1.00 0.00 O ATOM 57 OE2 GLU A 4 148.382 -11.676 10.348 1.00 0.00 O ATOM 0 HA GLU A 4 146.875 -7.025 8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 4 145.758 -9.802 8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 4 146.884 -9.288 7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 4 148.655 -9.664 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 4 147.974 -8.710 10.232 1.00 0.00 H new ATOM 64 N ILE A 5 144.679 -7.988 6.923 1.00 0.00 N ATOM 65 CA ILE A 5 143.450 -7.859 6.141 1.00 0.00 C ATOM 66 C ILE A 5 142.207 -8.095 6.996 1.00 0.00 C ATOM 67 O ILE A 5 142.118 -9.082 7.725 1.00 0.00 O ATOM 68 CB ILE A 5 143.439 -8.848 4.957 1.00 0.00 C ATOM 69 CG1 ILE A 5 142.187 -8.649 4.098 1.00 0.00 C ATOM 70 CG2 ILE A 5 143.521 -10.281 5.461 1.00 0.00 C ATOM 71 CD1 ILE A 5 142.006 -7.228 3.611 1.00 0.00 C ATOM 0 H ILE A 5 145.423 -8.501 6.451 1.00 0.00 H new ATOM 0 HA ILE A 5 143.428 -6.837 5.763 1.00 0.00 H new ATOM 0 HB ILE A 5 144.313 -8.651 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 5 142.238 -9.316 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 5 141.310 -8.941 4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 5 143.512 -10.966 4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 5 144.443 -10.416 6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 5 142.667 -10.490 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 5 141.099 -7.162 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 5 141.923 -6.558 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 5 142.865 -6.939 3.006 1.00 0.00 H new ATOM 83 N ILE A 6 141.247 -7.179 6.896 1.00 0.00 N ATOM 84 CA ILE A 6 140.008 -7.285 7.657 1.00 0.00 C ATOM 85 C ILE A 6 138.795 -7.318 6.732 1.00 0.00 C ATOM 86 O ILE A 6 137.942 -8.198 6.842 1.00 0.00 O ATOM 87 CB ILE A 6 139.842 -6.127 8.663 1.00 0.00 C ATOM 88 CG1 ILE A 6 140.559 -4.859 8.169 1.00 0.00 C ATOM 89 CG2 ILE A 6 140.352 -6.550 10.033 1.00 0.00 C ATOM 90 CD1 ILE A 6 142.060 -4.859 8.391 1.00 0.00 C ATOM 0 H ILE A 6 141.304 -6.356 6.296 1.00 0.00 H new ATOM 0 HA ILE A 6 140.070 -8.221 8.213 1.00 0.00 H new ATOM 0 HB ILE A 6 138.782 -5.889 8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 6 140.362 -4.737 7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 6 140.130 -3.994 8.674 1.00 0.00 H new ATOM 0 HG21 ILE A 6 140.231 -5.726 10.737 1.00 0.00 H new ATOM 0 HG22 ILE A 6 139.784 -7.412 10.382 1.00 0.00 H new ATOM 0 HG23 ILE A 6 141.407 -6.815 9.963 1.00 0.00 H new ATOM 0 HD11 ILE A 6 142.484 -3.928 8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 6 142.270 -4.947 9.457 1.00 0.00 H new ATOM 0 HD13 ILE A 6 142.506 -5.702 7.862 1.00 0.00 H new ATOM 102 N GLU A 7 138.727 -6.354 5.818 1.00 0.00 N ATOM 103 CA GLU A 7 137.619 -6.274 4.872 1.00 0.00 C ATOM 104 C GLU A 7 138.131 -6.313 3.437 1.00 0.00 C ATOM 105 O GLU A 7 139.322 -6.509 3.197 1.00 0.00 O ATOM 106 CB GLU A 7 136.815 -4.994 5.105 1.00 0.00 C ATOM 107 CG GLU A 7 136.315 -4.837 6.531 1.00 0.00 C ATOM 108 CD GLU A 7 135.157 -3.865 6.640 1.00 0.00 C ATOM 109 OE1 GLU A 7 135.374 -2.657 6.411 1.00 0.00 O ATOM 110 OE2 GLU A 7 134.034 -4.312 6.956 1.00 0.00 O ATOM 0 H GLU A 7 139.426 -5.618 5.713 1.00 0.00 H new ATOM 0 HA GLU A 7 136.970 -7.135 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 7 137.435 -4.135 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 7 135.962 -4.983 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 7 136.005 -5.810 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 7 137.134 -4.493 7.163 1.00 0.00 H new ATOM 117 N ILE A 8 137.223 -6.124 2.483 1.00 0.00 N ATOM 118 CA ILE A 8 137.585 -6.139 1.071 1.00 0.00 C ATOM 119 C ILE A 8 136.834 -5.059 0.295 1.00 0.00 C ATOM 120 O ILE A 8 136.674 -5.156 -0.922 1.00 0.00 O ATOM 121 CB ILE A 8 137.294 -7.511 0.431 1.00 0.00 C ATOM 122 CG1 ILE A 8 137.816 -8.638 1.326 1.00 0.00 C ATOM 123 CG2 ILE A 8 137.921 -7.593 -0.953 1.00 0.00 C ATOM 124 CD1 ILE A 8 139.321 -8.638 1.480 1.00 0.00 C ATOM 0 H ILE A 8 136.233 -5.959 2.663 1.00 0.00 H new ATOM 0 HA ILE A 8 138.655 -5.940 1.019 1.00 0.00 H new ATOM 0 HB ILE A 8 136.215 -7.625 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 8 137.358 -8.551 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 8 137.501 -9.596 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 8 137.707 -8.567 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 8 137.506 -6.810 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 8 139.000 -7.461 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 8 139.621 -9.463 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 8 139.787 -8.756 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 8 139.641 -7.695 1.923 1.00 0.00 H new ATOM 136 N GLY A 9 136.379 -4.029 1.002 1.00 0.00 N ATOM 137 CA GLY A 9 135.658 -2.949 0.357 1.00 0.00 C ATOM 138 C GLY A 9 136.468 -1.667 0.299 1.00 0.00 C ATOM 139 O GLY A 9 137.383 -1.551 -0.516 1.00 0.00 O ATOM 0 H GLY A 9 136.497 -3.924 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.386 -3.250 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.728 -2.764 0.895 1.00 0.00 H new ATOM 143 N PRO A 10 136.161 -0.680 1.161 1.00 0.00 N ATOM 144 CA PRO A 10 136.888 0.595 1.194 1.00 0.00 C ATOM 145 C PRO A 10 138.357 0.408 1.565 1.00 0.00 C ATOM 146 O PRO A 10 139.207 1.228 1.217 1.00 0.00 O ATOM 147 CB PRO A 10 136.162 1.400 2.278 1.00 0.00 C ATOM 148 CG PRO A 10 135.460 0.384 3.111 1.00 0.00 C ATOM 149 CD PRO A 10 135.094 -0.732 2.176 1.00 0.00 C ATOM 0 HA PRO A 10 136.895 1.084 0.220 1.00 0.00 H new ATOM 0 HB2 PRO A 10 136.865 1.981 2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 10 135.457 2.106 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 10 136.103 0.025 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 10 134.572 0.809 3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 10 135.070 -1.695 2.687 1.00 0.00 H new ATOM 0 HD3 PRO A 10 134.109 -0.581 1.734 1.00 0.00 H new ATOM 157 N PHE A 11 138.640 -0.673 2.281 1.00 0.00 N ATOM 158 CA PHE A 11 139.992 -0.985 2.718 1.00 0.00 C ATOM 159 C PHE A 11 140.962 -1.092 1.542 1.00 0.00 C ATOM 160 O PHE A 11 141.971 -0.387 1.498 1.00 0.00 O ATOM 161 CB PHE A 11 139.980 -2.291 3.519 1.00 0.00 C ATOM 162 CG PHE A 11 141.338 -2.758 3.963 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.229 -3.301 3.054 1.00 0.00 C ATOM 164 CD2 PHE A 11 141.716 -2.665 5.294 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.473 -3.742 3.460 1.00 0.00 C ATOM 166 CE2 PHE A 11 142.960 -3.103 5.706 1.00 0.00 C ATOM 167 CZ PHE A 11 143.839 -3.643 4.788 1.00 0.00 C ATOM 0 H PHE A 11 137.940 -1.355 2.574 1.00 0.00 H new ATOM 0 HA PHE A 11 140.341 -0.168 3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.349 -2.158 4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.521 -3.071 2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 11 141.948 -3.381 2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 11 141.031 -2.246 6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 11 144.159 -4.164 2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.245 -3.023 6.745 1.00 0.00 H new ATOM 0 HZ PHE A 11 144.811 -3.987 5.108 1.00 0.00 H new ATOM 177 N THR A 12 140.665 -1.983 0.600 1.00 0.00 N ATOM 178 CA THR A 12 141.533 -2.176 -0.557 1.00 0.00 C ATOM 179 C THR A 12 141.486 -0.979 -1.501 1.00 0.00 C ATOM 180 O THR A 12 142.521 -0.385 -1.830 1.00 0.00 O ATOM 181 CB THR A 12 141.156 -3.452 -1.310 1.00 0.00 C ATOM 182 OG1 THR A 12 140.335 -4.286 -0.510 1.00 0.00 O ATOM 183 CG2 THR A 12 142.363 -4.262 -1.734 1.00 0.00 C ATOM 0 H THR A 12 139.837 -2.578 0.614 1.00 0.00 H new ATOM 0 HA THR A 12 142.553 -2.272 -0.185 1.00 0.00 H new ATOM 0 HB THR A 12 140.623 -3.121 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 12 140.899 -4.863 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 12 142.034 -5.156 -2.264 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.992 -3.661 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 12 142.934 -4.553 -0.852 1.00 0.00 H new ATOM 191 N GLN A 13 140.287 -0.624 -1.942 1.00 0.00 N ATOM 192 CA GLN A 13 140.119 0.499 -2.851 1.00 0.00 C ATOM 193 C GLN A 13 140.727 1.776 -2.272 1.00 0.00 C ATOM 194 O GLN A 13 141.024 2.716 -3.009 1.00 0.00 O ATOM 195 CB GLN A 13 138.640 0.712 -3.174 1.00 0.00 C ATOM 196 CG GLN A 13 137.828 1.250 -2.009 1.00 0.00 C ATOM 197 CD GLN A 13 136.417 1.633 -2.409 1.00 0.00 C ATOM 198 OE1 GLN A 13 135.916 2.691 -2.029 1.00 0.00 O ATOM 199 NE2 GLN A 13 135.766 0.772 -3.182 1.00 0.00 N ATOM 0 H GLN A 13 139.420 -1.096 -1.686 1.00 0.00 H new ATOM 0 HA GLN A 13 140.648 0.263 -3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 13 138.557 1.404 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 13 138.209 -0.235 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 13 137.787 0.497 -1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 13 138.332 2.121 -1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 13 136.219 -0.094 -3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 13 134.813 0.977 -3.483 1.00 0.00 H new ATOM 208 N ASN A 14 140.923 1.805 -0.954 1.00 0.00 N ATOM 209 CA ASN A 14 141.505 2.965 -0.304 1.00 0.00 C ATOM 210 C ASN A 14 142.919 3.195 -0.812 1.00 0.00 C ATOM 211 O ASN A 14 143.231 4.265 -1.337 1.00 0.00 O ATOM 212 CB ASN A 14 141.505 2.795 1.217 1.00 0.00 C ATOM 213 CG ASN A 14 140.407 3.599 1.886 1.00 0.00 C ATOM 214 OD1 ASN A 14 139.300 3.717 1.362 1.00 0.00 O ATOM 215 ND2 ASN A 14 140.711 4.160 3.052 1.00 0.00 N ATOM 0 H ASN A 14 140.687 1.039 -0.323 1.00 0.00 H new ATOM 0 HA ASN A 14 140.897 3.837 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 14 141.381 1.740 1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 14 142.472 3.103 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 14 140.013 4.714 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 14 141.642 4.036 3.450 1.00 0.00 H new ATOM 222 N LEU A 15 143.767 2.179 -0.678 1.00 0.00 N ATOM 223 CA LEU A 15 145.142 2.276 -1.157 1.00 0.00 C ATOM 224 C LEU A 15 145.138 2.806 -2.577 1.00 0.00 C ATOM 225 O LEU A 15 145.953 3.649 -2.948 1.00 0.00 O ATOM 226 CB LEU A 15 145.823 0.909 -1.118 1.00 0.00 C ATOM 227 CG LEU A 15 147.299 0.920 -0.717 1.00 0.00 C ATOM 228 CD1 LEU A 15 148.057 2.007 -1.467 1.00 0.00 C ATOM 229 CD2 LEU A 15 147.434 1.108 0.787 1.00 0.00 C ATOM 0 H LEU A 15 143.529 1.286 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 15 145.696 2.955 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 15 145.280 0.272 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.735 0.451 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 15 147.737 -0.041 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 15 149.104 1.995 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 15 147.987 1.826 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 15 147.623 2.980 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 148.489 1.114 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 15 146.979 2.055 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 15 146.931 0.290 1.303 1.00 0.00 H new ATOM 241 N GLY A 16 144.191 2.305 -3.366 1.00 0.00 N ATOM 242 CA GLY A 16 144.066 2.745 -4.743 1.00 0.00 C ATOM 243 C GLY A 16 144.029 4.257 -4.862 1.00 0.00 C ATOM 244 O GLY A 16 144.690 4.836 -5.729 1.00 0.00 O ATOM 0 H GLY A 16 143.510 1.604 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 16 144.903 2.357 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 16 143.157 2.326 -5.175 1.00 0.00 H new ATOM 248 N LYS A 17 143.264 4.901 -3.979 1.00 0.00 N ATOM 249 CA LYS A 17 143.159 6.356 -3.988 1.00 0.00 C ATOM 250 C LYS A 17 144.528 6.985 -3.753 1.00 0.00 C ATOM 251 O LYS A 17 144.997 7.798 -4.550 1.00 0.00 O ATOM 252 CB LYS A 17 142.174 6.827 -2.916 1.00 0.00 C ATOM 253 CG LYS A 17 141.361 8.042 -3.333 1.00 0.00 C ATOM 254 CD LYS A 17 140.199 8.288 -2.381 1.00 0.00 C ATOM 255 CE LYS A 17 139.231 9.318 -2.941 1.00 0.00 C ATOM 256 NZ LYS A 17 139.567 10.699 -2.498 1.00 0.00 N ATOM 0 H LYS A 17 142.713 4.440 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 17 142.789 6.670 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 17 141.494 6.010 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 17 142.725 7.063 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 17 142.005 8.921 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 17 140.980 7.897 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 17 139.671 7.352 -2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 17 140.581 8.631 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 17 139.244 9.273 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 17 138.217 9.072 -2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 138.882 11.369 -2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 139.529 10.749 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 140.524 10.944 -2.822 1.00 0.00 H new ATOM 270 N PHE A 18 145.170 6.589 -2.658 1.00 0.00 N ATOM 271 CA PHE A 18 146.492 7.101 -2.322 1.00 0.00 C ATOM 272 C PHE A 18 147.542 6.573 -3.295 1.00 0.00 C ATOM 273 O PHE A 18 148.674 7.057 -3.327 1.00 0.00 O ATOM 274 CB PHE A 18 146.865 6.715 -0.891 1.00 0.00 C ATOM 275 CG PHE A 18 146.276 7.622 0.152 1.00 0.00 C ATOM 276 CD1 PHE A 18 144.961 8.051 0.056 1.00 0.00 C ATOM 277 CD2 PHE A 18 147.038 8.047 1.228 1.00 0.00 C ATOM 278 CE1 PHE A 18 144.417 8.885 1.015 1.00 0.00 C ATOM 279 CE2 PHE A 18 146.499 8.881 2.191 1.00 0.00 C ATOM 280 CZ PHE A 18 145.187 9.300 2.083 1.00 0.00 C ATOM 0 H PHE A 18 144.796 5.916 -1.990 1.00 0.00 H new ATOM 0 HA PHE A 18 146.464 8.188 -2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 18 146.533 5.694 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 18 147.951 6.721 -0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 18 144.354 7.730 -0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 18 148.065 7.723 1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 18 143.391 9.211 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 18 147.103 9.204 3.026 1.00 0.00 H new ATOM 0 HZ PHE A 18 144.764 9.952 2.833 1.00 0.00 H new ATOM 290 N ALA A 19 147.158 5.579 -4.091 1.00 0.00 N ATOM 291 CA ALA A 19 148.061 4.988 -5.068 1.00 0.00 C ATOM 292 C ALA A 19 148.412 5.999 -6.151 1.00 0.00 C ATOM 293 O ALA A 19 149.477 6.615 -6.113 1.00 0.00 O ATOM 294 CB ALA A 19 147.442 3.735 -5.676 1.00 0.00 C ATOM 0 H ALA A 19 146.225 5.167 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 19 148.982 4.701 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 19 148.130 3.306 -6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 19 147.246 3.007 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 19 146.506 3.995 -6.171 1.00 0.00 H new ATOM 300 N VAL A 20 147.509 6.179 -7.112 1.00 0.00 N ATOM 301 CA VAL A 20 147.727 7.131 -8.198 1.00 0.00 C ATOM 302 C VAL A 20 148.184 8.483 -7.656 1.00 0.00 C ATOM 303 O VAL A 20 149.076 9.118 -8.217 1.00 0.00 O ATOM 304 CB VAL A 20 146.446 7.327 -9.035 1.00 0.00 C ATOM 305 CG1 VAL A 20 145.300 7.793 -8.151 1.00 0.00 C ATOM 306 CG2 VAL A 20 146.688 8.312 -10.169 1.00 0.00 C ATOM 0 H VAL A 20 146.621 5.679 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 20 148.508 6.717 -8.836 1.00 0.00 H new ATOM 0 HB VAL A 20 146.173 6.368 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 20 144.404 7.926 -8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 20 145.109 7.047 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 20 145.565 8.740 -7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 20 145.771 8.435 -10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.989 9.275 -9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 20 147.477 7.933 -10.818 1.00 0.00 H new ATOM 316 N ASP A 21 147.571 8.915 -6.557 1.00 0.00 N ATOM 317 CA ASP A 21 147.925 10.189 -5.941 1.00 0.00 C ATOM 318 C ASP A 21 149.373 10.172 -5.461 1.00 0.00 C ATOM 319 O ASP A 21 150.018 11.216 -5.372 1.00 0.00 O ATOM 320 CB ASP A 21 146.988 10.495 -4.772 1.00 0.00 C ATOM 321 CG ASP A 21 145.789 11.321 -5.193 1.00 0.00 C ATOM 322 OD1 ASP A 21 145.968 12.263 -5.994 1.00 0.00 O ATOM 323 OD2 ASP A 21 144.670 11.027 -4.723 1.00 0.00 O ATOM 0 H ASP A 21 146.830 8.404 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 21 147.818 10.972 -6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 21 146.644 9.559 -4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 21 147.540 11.029 -3.998 1.00 0.00 H new ATOM 328 N GLU A 22 149.879 8.980 -5.159 1.00 0.00 N ATOM 329 CA GLU A 22 151.252 8.834 -4.692 1.00 0.00 C ATOM 330 C GLU A 22 152.157 8.284 -5.794 1.00 0.00 C ATOM 331 O GLU A 22 153.378 8.273 -5.652 1.00 0.00 O ATOM 332 CB GLU A 22 151.312 7.922 -3.468 1.00 0.00 C ATOM 333 CG GLU A 22 152.655 7.957 -2.756 1.00 0.00 C ATOM 334 CD GLU A 22 152.913 9.278 -2.058 1.00 0.00 C ATOM 335 OE1 GLU A 22 152.157 10.241 -2.307 1.00 0.00 O ATOM 336 OE2 GLU A 22 153.872 9.350 -1.260 1.00 0.00 O ATOM 0 H GLU A 22 149.360 8.105 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 22 151.611 9.825 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 22 150.530 8.214 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 22 151.098 6.898 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 22 152.695 7.150 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 22 153.450 7.771 -3.479 1.00 0.00 H new ATOM 343 N GLU A 23 151.556 7.836 -6.897 1.00 0.00 N ATOM 344 CA GLU A 23 152.325 7.301 -8.017 1.00 0.00 C ATOM 345 C GLU A 23 153.458 8.254 -8.384 1.00 0.00 C ATOM 346 O GLU A 23 154.517 7.835 -8.851 1.00 0.00 O ATOM 347 CB GLU A 23 151.415 7.084 -9.228 1.00 0.00 C ATOM 348 CG GLU A 23 151.988 6.130 -10.262 1.00 0.00 C ATOM 349 CD GLU A 23 153.209 6.695 -10.964 1.00 0.00 C ATOM 350 OE1 GLU A 23 153.285 7.932 -11.119 1.00 0.00 O ATOM 351 OE2 GLU A 23 154.086 5.900 -11.359 1.00 0.00 O ATOM 0 H GLU A 23 150.546 7.833 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 23 152.752 6.343 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.455 6.699 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 23 151.222 8.046 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 23 152.255 5.191 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 23 151.222 5.900 -11.002 1.00 0.00 H new ATOM 358 N ASN A 24 153.218 9.539 -8.154 1.00 0.00 N ATOM 359 CA ASN A 24 154.204 10.571 -8.444 1.00 0.00 C ATOM 360 C ASN A 24 155.453 10.396 -7.583 1.00 0.00 C ATOM 361 O ASN A 24 156.552 10.778 -7.984 1.00 0.00 O ATOM 362 CB ASN A 24 153.595 11.954 -8.209 1.00 0.00 C ATOM 363 CG ASN A 24 152.932 12.512 -9.453 1.00 0.00 C ATOM 364 OD1 ASN A 24 153.247 13.615 -9.899 1.00 0.00 O ATOM 365 ND2 ASN A 24 152.007 11.747 -10.021 1.00 0.00 N ATOM 0 H ASN A 24 152.344 9.892 -7.765 1.00 0.00 H new ATOM 0 HA ASN A 24 154.498 10.478 -9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 24 152.861 11.893 -7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 24 154.375 12.640 -7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 24 151.526 12.067 -10.861 1.00 0.00 H new ATOM 0 HD22 ASN A 24 151.778 10.839 -9.617 1.00 0.00 H new ATOM 372 N LYS A 25 155.279 9.816 -6.397 1.00 0.00 N ATOM 373 CA LYS A 25 156.397 9.593 -5.486 1.00 0.00 C ATOM 374 C LYS A 25 157.338 8.516 -6.029 1.00 0.00 C ATOM 375 O LYS A 25 158.335 8.830 -6.678 1.00 0.00 O ATOM 376 CB LYS A 25 155.887 9.209 -4.093 1.00 0.00 C ATOM 377 CG LYS A 25 156.165 10.266 -3.034 1.00 0.00 C ATOM 378 CD LYS A 25 157.131 9.755 -1.975 1.00 0.00 C ATOM 379 CE LYS A 25 157.300 10.758 -0.847 1.00 0.00 C ATOM 380 NZ LYS A 25 157.891 10.132 0.368 1.00 0.00 N ATOM 0 H LYS A 25 154.377 9.493 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 25 156.959 10.524 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 25 154.813 9.030 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 25 156.352 8.271 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 25 156.580 11.156 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 25 155.229 10.563 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 25 156.765 8.811 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 25 158.100 9.552 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 25 157.938 11.576 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 25 156.331 11.191 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 157.366 10.444 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 157.834 9.097 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 158.887 10.418 0.456 1.00 0.00 H new ATOM 394 N ILE A 26 157.020 7.249 -5.764 1.00 0.00 N ATOM 395 CA ILE A 26 157.846 6.142 -6.237 1.00 0.00 C ATOM 396 C ILE A 26 158.183 6.296 -7.719 1.00 0.00 C ATOM 397 O ILE A 26 159.292 5.983 -8.151 1.00 0.00 O ATOM 398 CB ILE A 26 157.149 4.785 -6.011 1.00 0.00 C ATOM 399 CG1 ILE A 26 158.087 3.630 -6.368 1.00 0.00 C ATOM 400 CG2 ILE A 26 155.862 4.700 -6.818 1.00 0.00 C ATOM 401 CD1 ILE A 26 159.407 3.671 -5.628 1.00 0.00 C ATOM 0 H ILE A 26 156.200 6.966 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 26 158.769 6.166 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 26 156.895 4.705 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 26 157.587 2.686 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 26 158.280 3.648 -7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 26 155.386 3.735 -6.644 1.00 0.00 H new ATOM 0 HG22 ILE A 26 155.186 5.498 -6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 26 156.090 4.806 -7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 26 160.020 2.822 -5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 26 159.928 4.599 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 26 159.224 3.622 -4.555 1.00 0.00 H new ATOM 413 N GLY A 27 157.218 6.785 -8.491 1.00 0.00 N ATOM 414 CA GLY A 27 157.427 6.978 -9.915 1.00 0.00 C ATOM 415 C GLY A 27 157.732 8.422 -10.264 1.00 0.00 C ATOM 416 O GLY A 27 157.929 9.254 -9.379 1.00 0.00 O ATOM 0 H GLY A 27 156.293 7.052 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 27 158.250 6.345 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 27 156.538 6.656 -10.457 1.00 0.00 H new ATOM 420 N GLN A 28 157.769 8.721 -11.559 1.00 0.00 N ATOM 421 CA GLN A 28 158.049 10.076 -12.023 1.00 0.00 C ATOM 422 C GLN A 28 156.776 10.753 -12.520 1.00 0.00 C ATOM 423 O GLN A 28 156.445 11.861 -12.099 1.00 0.00 O ATOM 424 CB GLN A 28 159.098 10.050 -13.136 1.00 0.00 C ATOM 425 CG GLN A 28 160.519 10.256 -12.638 1.00 0.00 C ATOM 426 CD GLN A 28 161.270 11.308 -13.433 1.00 0.00 C ATOM 427 OE1 GLN A 28 161.501 11.149 -14.632 1.00 0.00 O ATOM 428 NE2 GLN A 28 161.656 12.390 -12.766 1.00 0.00 N ATOM 0 H GLN A 28 157.609 8.044 -12.305 1.00 0.00 H new ATOM 0 HA GLN A 28 158.439 10.650 -11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 28 159.039 9.094 -13.657 1.00 0.00 H new ATOM 0 HB3 GLN A 28 158.861 10.825 -13.865 1.00 0.00 H new ATOM 0 HG2 GLN A 28 160.493 10.549 -11.588 1.00 0.00 H new ATOM 0 HG3 GLN A 28 161.059 9.311 -12.692 1.00 0.00 H new ATOM 0 HE21 GLN A 28 161.443 12.480 -11.773 1.00 0.00 H new ATOM 0 HE22 GLN A 28 162.166 13.131 -13.247 1.00 0.00 H new ATOM 437 N TYR A 29 156.065 10.078 -13.419 1.00 0.00 N ATOM 438 CA TYR A 29 154.827 10.613 -13.976 1.00 0.00 C ATOM 439 C TYR A 29 153.624 9.797 -13.512 1.00 0.00 C ATOM 440 O TYR A 29 153.615 8.571 -13.624 1.00 0.00 O ATOM 441 CB TYR A 29 154.897 10.626 -15.505 1.00 0.00 C ATOM 442 CG TYR A 29 154.621 11.981 -16.115 1.00 0.00 C ATOM 443 CD1 TYR A 29 155.438 13.069 -15.835 1.00 0.00 C ATOM 444 CD2 TYR A 29 153.545 12.172 -16.973 1.00 0.00 C ATOM 445 CE1 TYR A 29 155.191 14.309 -16.391 1.00 0.00 C ATOM 446 CE2 TYR A 29 153.291 13.410 -17.534 1.00 0.00 C ATOM 447 CZ TYR A 29 154.116 14.475 -17.240 1.00 0.00 C ATOM 448 OH TYR A 29 153.867 15.708 -17.796 1.00 0.00 O ATOM 0 H TYR A 29 156.325 9.159 -13.777 1.00 0.00 H new ATOM 0 HA TYR A 29 154.706 11.635 -13.618 1.00 0.00 H new ATOM 0 HB2 TYR A 29 155.886 10.292 -15.817 1.00 0.00 H new ATOM 0 HB3 TYR A 29 154.179 9.907 -15.899 1.00 0.00 H new ATOM 0 HD1 TYR A 29 156.281 12.943 -15.171 1.00 0.00 H new ATOM 0 HD2 TYR A 29 152.897 11.340 -17.205 1.00 0.00 H new ATOM 0 HE1 TYR A 29 155.836 15.144 -16.162 1.00 0.00 H new ATOM 0 HE2 TYR A 29 152.451 13.542 -18.199 1.00 0.00 H new ATOM 0 HH TYR A 29 153.075 15.654 -18.370 1.00 0.00 H new ATOM 458 N GLY A 30 152.613 10.481 -12.988 1.00 0.00 N ATOM 459 CA GLY A 30 151.423 9.799 -12.513 1.00 0.00 C ATOM 460 C GLY A 30 150.243 9.962 -13.453 1.00 0.00 C ATOM 461 O GLY A 30 150.197 10.903 -14.246 1.00 0.00 O ATOM 0 H GLY A 30 152.596 11.495 -12.884 1.00 0.00 H new ATOM 0 HA2 GLY A 30 151.641 8.738 -12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 30 151.155 10.185 -11.529 1.00 0.00 H new ATOM 465 N ARG A 31 149.287 9.041 -13.365 1.00 0.00 N ATOM 466 CA ARG A 31 148.100 9.082 -14.210 1.00 0.00 C ATOM 467 C ARG A 31 147.127 7.963 -13.828 1.00 0.00 C ATOM 468 O ARG A 31 147.153 7.473 -12.700 1.00 0.00 O ATOM 469 CB ARG A 31 148.502 8.971 -15.685 1.00 0.00 C ATOM 470 CG ARG A 31 148.998 7.591 -16.085 1.00 0.00 C ATOM 471 CD ARG A 31 149.318 7.525 -17.568 1.00 0.00 C ATOM 472 NE ARG A 31 150.288 8.544 -17.964 1.00 0.00 N ATOM 473 CZ ARG A 31 150.624 8.799 -19.226 1.00 0.00 C ATOM 474 NH1 ARG A 31 150.070 8.111 -20.219 1.00 0.00 N ATOM 475 NH2 ARG A 31 151.514 9.744 -19.496 1.00 0.00 N ATOM 0 H ARG A 31 149.313 8.256 -12.715 1.00 0.00 H new ATOM 0 HA ARG A 31 147.594 10.035 -14.057 1.00 0.00 H new ATOM 0 HB2 ARG A 31 147.645 9.233 -16.306 1.00 0.00 H new ATOM 0 HB3 ARG A 31 149.283 9.702 -15.895 1.00 0.00 H new ATOM 0 HG2 ARG A 31 149.888 7.341 -15.508 1.00 0.00 H new ATOM 0 HG3 ARG A 31 148.241 6.846 -15.841 1.00 0.00 H new ATOM 0 HD2 ARG A 31 149.710 6.537 -17.811 1.00 0.00 H new ATOM 0 HD3 ARG A 31 148.401 7.654 -18.143 1.00 0.00 H new ATOM 0 HE ARG A 31 150.734 9.093 -17.229 1.00 0.00 H new ATOM 0 HH11 ARG A 31 149.384 7.384 -20.015 1.00 0.00 H new ATOM 0 HH12 ARG A 31 150.331 8.310 -21.185 1.00 0.00 H new ATOM 0 HH21 ARG A 31 151.941 10.275 -18.737 1.00 0.00 H new ATOM 0 HH22 ARG A 31 151.772 9.940 -20.463 1.00 0.00 H new ATOM 489 N LEU A 32 146.273 7.559 -14.766 1.00 0.00 N ATOM 490 CA LEU A 32 145.307 6.498 -14.504 1.00 0.00 C ATOM 491 C LEU A 32 146.015 5.157 -14.353 1.00 0.00 C ATOM 492 O LEU A 32 146.390 4.525 -15.341 1.00 0.00 O ATOM 493 CB LEU A 32 144.279 6.423 -15.633 1.00 0.00 C ATOM 494 CG LEU A 32 142.972 5.714 -15.273 1.00 0.00 C ATOM 495 CD1 LEU A 32 141.788 6.408 -15.929 1.00 0.00 C ATOM 496 CD2 LEU A 32 143.030 4.251 -15.684 1.00 0.00 C ATOM 0 H LEU A 32 146.231 7.948 -15.708 1.00 0.00 H new ATOM 0 HA LEU A 32 144.790 6.727 -13.572 1.00 0.00 H new ATOM 0 HB2 LEU A 32 144.047 7.436 -15.960 1.00 0.00 H new ATOM 0 HB3 LEU A 32 144.731 5.910 -16.482 1.00 0.00 H new ATOM 0 HG LEU A 32 142.840 5.763 -14.192 1.00 0.00 H new ATOM 0 HD11 LEU A 32 140.868 5.889 -15.661 1.00 0.00 H new ATOM 0 HD12 LEU A 32 141.735 7.441 -15.585 1.00 0.00 H new ATOM 0 HD13 LEU A 32 141.911 6.392 -17.012 1.00 0.00 H new ATOM 0 HD21 LEU A 32 142.092 3.762 -15.421 1.00 0.00 H new ATOM 0 HD22 LEU A 32 143.186 4.181 -16.761 1.00 0.00 H new ATOM 0 HD23 LEU A 32 143.854 3.760 -15.166 1.00 0.00 H new ATOM 508 N THR A 33 146.211 4.736 -13.107 1.00 0.00 N ATOM 509 CA THR A 33 146.891 3.482 -12.819 1.00 0.00 C ATOM 510 C THR A 33 145.964 2.495 -12.116 1.00 0.00 C ATOM 511 O THR A 33 145.406 1.599 -12.745 1.00 0.00 O ATOM 512 CB THR A 33 148.122 3.754 -11.949 1.00 0.00 C ATOM 513 OG1 THR A 33 148.126 5.092 -11.483 1.00 0.00 O ATOM 514 CG2 THR A 33 149.432 3.517 -12.665 1.00 0.00 C ATOM 0 H THR A 33 145.906 5.249 -12.279 1.00 0.00 H new ATOM 0 HA THR A 33 147.200 3.036 -13.764 1.00 0.00 H new ATOM 0 HB THR A 33 148.046 3.047 -11.123 1.00 0.00 H new ATOM 0 HG1 THR A 33 149.034 5.341 -11.212 1.00 0.00 H new ATOM 0 HG21 THR A 33 150.260 3.729 -11.989 1.00 0.00 H new ATOM 0 HG22 THR A 33 149.486 2.478 -12.990 1.00 0.00 H new ATOM 0 HG23 THR A 33 149.496 4.173 -13.533 1.00 0.00 H new ATOM 522 N PHE A 34 145.819 2.657 -10.804 1.00 0.00 N ATOM 523 CA PHE A 34 144.976 1.771 -10.014 1.00 0.00 C ATOM 524 C PHE A 34 143.520 1.848 -10.461 1.00 0.00 C ATOM 525 O PHE A 34 142.735 2.628 -9.924 1.00 0.00 O ATOM 526 CB PHE A 34 145.093 2.117 -8.528 1.00 0.00 C ATOM 527 CG PHE A 34 146.340 1.575 -7.883 1.00 0.00 C ATOM 528 CD1 PHE A 34 147.579 1.753 -8.478 1.00 0.00 C ATOM 529 CD2 PHE A 34 146.272 0.885 -6.682 1.00 0.00 C ATOM 530 CE1 PHE A 34 148.725 1.255 -7.887 1.00 0.00 C ATOM 531 CE2 PHE A 34 147.415 0.387 -6.088 1.00 0.00 C ATOM 532 CZ PHE A 34 148.644 0.572 -6.691 1.00 0.00 C ATOM 0 H PHE A 34 146.275 3.394 -10.267 1.00 0.00 H new ATOM 0 HA PHE A 34 145.322 0.749 -10.170 1.00 0.00 H new ATOM 0 HB2 PHE A 34 145.075 3.201 -8.413 1.00 0.00 H new ATOM 0 HB3 PHE A 34 144.222 1.726 -8.002 1.00 0.00 H new ATOM 0 HD1 PHE A 34 147.650 2.287 -9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 34 145.314 0.735 -6.206 1.00 0.00 H new ATOM 0 HE1 PHE A 34 149.684 1.401 -8.362 1.00 0.00 H new ATOM 0 HE2 PHE A 34 147.348 -0.147 -5.152 1.00 0.00 H new ATOM 0 HZ PHE A 34 149.539 0.183 -6.228 1.00 0.00 H new ATOM 542 N ASN A 35 143.169 1.025 -11.446 1.00 0.00 N ATOM 543 CA ASN A 35 141.807 0.990 -11.963 1.00 0.00 C ATOM 544 C ASN A 35 140.925 0.109 -11.086 1.00 0.00 C ATOM 545 O ASN A 35 139.916 0.562 -10.546 1.00 0.00 O ATOM 546 CB ASN A 35 141.797 0.477 -13.404 1.00 0.00 C ATOM 547 CG ASN A 35 140.971 1.354 -14.323 1.00 0.00 C ATOM 548 OD1 ASN A 35 140.778 2.541 -14.061 1.00 0.00 O ATOM 549 ND2 ASN A 35 140.476 0.773 -15.410 1.00 0.00 N ATOM 0 H ASN A 35 143.810 0.374 -11.901 1.00 0.00 H new ATOM 0 HA ASN A 35 141.408 2.004 -11.949 1.00 0.00 H new ATOM 0 HB2 ASN A 35 142.820 0.427 -13.776 1.00 0.00 H new ATOM 0 HB3 ASN A 35 141.401 -0.538 -13.423 1.00 0.00 H new ATOM 0 HD21 ASN A 35 139.912 1.314 -16.065 1.00 0.00 H new ATOM 0 HD22 ASN A 35 140.660 -0.214 -15.589 1.00 0.00 H new ATOM 556 N LYS A 36 141.318 -1.153 -10.941 1.00 0.00 N ATOM 557 CA LYS A 36 140.569 -2.096 -10.119 1.00 0.00 C ATOM 558 C LYS A 36 141.399 -2.514 -8.907 1.00 0.00 C ATOM 559 O LYS A 36 141.715 -3.690 -8.723 1.00 0.00 O ATOM 560 CB LYS A 36 140.166 -3.321 -10.946 1.00 0.00 C ATOM 561 CG LYS A 36 138.665 -3.452 -11.142 1.00 0.00 C ATOM 562 CD LYS A 36 138.247 -4.906 -11.284 1.00 0.00 C ATOM 563 CE LYS A 36 137.176 -5.078 -12.350 1.00 0.00 C ATOM 564 NZ LYS A 36 137.762 -5.358 -13.689 1.00 0.00 N ATOM 0 H LYS A 36 142.150 -1.545 -11.382 1.00 0.00 H new ATOM 0 HA LYS A 36 139.661 -1.608 -9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 36 140.648 -3.266 -11.922 1.00 0.00 H new ATOM 0 HB3 LYS A 36 140.540 -4.220 -10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 36 138.146 -3.004 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 36 138.363 -2.897 -12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 36 139.116 -5.512 -11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 36 137.872 -5.273 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 36 136.511 -5.894 -12.067 1.00 0.00 H new ATOM 0 HE3 LYS A 36 136.568 -4.175 -12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 136.998 -5.468 -14.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 138.377 -4.568 -13.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 138.321 -6.234 -13.647 1.00 0.00 H new ATOM 578 N VAL A 37 141.757 -1.531 -8.090 1.00 0.00 N ATOM 579 CA VAL A 37 142.560 -1.769 -6.898 1.00 0.00 C ATOM 580 C VAL A 37 141.878 -2.748 -5.942 1.00 0.00 C ATOM 581 O VAL A 37 140.888 -2.409 -5.296 1.00 0.00 O ATOM 582 CB VAL A 37 142.857 -0.444 -6.163 1.00 0.00 C ATOM 583 CG1 VAL A 37 141.590 0.383 -6.014 1.00 0.00 C ATOM 584 CG2 VAL A 37 143.502 -0.701 -4.807 1.00 0.00 C ATOM 0 H VAL A 37 141.501 -0.554 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 37 143.499 -2.214 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 37 143.566 0.124 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 37 141.821 1.312 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 37 141.186 0.610 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 37 140.853 -0.180 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 37 143.700 0.250 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 37 142.829 -1.297 -4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 37 144.439 -1.240 -4.946 1.00 0.00 H new ATOM 594 N ILE A 38 142.423 -3.963 -5.853 1.00 0.00 N ATOM 595 CA ILE A 38 141.869 -4.984 -4.972 1.00 0.00 C ATOM 596 C ILE A 38 142.912 -6.080 -4.651 1.00 0.00 C ATOM 597 O ILE A 38 143.979 -5.788 -4.088 1.00 0.00 O ATOM 598 CB ILE A 38 140.590 -5.607 -5.582 1.00 0.00 C ATOM 599 CG1 ILE A 38 140.818 -5.965 -7.052 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.416 -4.650 -5.442 1.00 0.00 C ATOM 601 CD1 ILE A 38 140.184 -7.278 -7.457 1.00 0.00 C ATOM 0 H ILE A 38 143.245 -4.260 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 38 141.599 -4.497 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 38 140.357 -6.522 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 38 140.417 -5.168 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 38 141.890 -6.013 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.524 -5.102 -5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 38 139.241 -4.441 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.641 -3.720 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 38 140.385 -7.469 -8.511 1.00 0.00 H new ATOM 0 HD12 ILE A 38 140.603 -8.085 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 38 139.107 -7.227 -7.296 1.00 0.00 H new ATOM 613 N LYS A 39 142.607 -7.336 -5.014 1.00 0.00 N ATOM 614 CA LYS A 39 143.504 -8.464 -4.777 1.00 0.00 C ATOM 615 C LYS A 39 143.845 -8.621 -3.297 1.00 0.00 C ATOM 616 O LYS A 39 143.627 -7.713 -2.494 1.00 0.00 O ATOM 617 CB LYS A 39 144.779 -8.311 -5.603 1.00 0.00 C ATOM 618 CG LYS A 39 144.777 -9.130 -6.884 1.00 0.00 C ATOM 619 CD LYS A 39 143.674 -8.683 -7.830 1.00 0.00 C ATOM 620 CE LYS A 39 144.063 -8.905 -9.282 1.00 0.00 C ATOM 621 NZ LYS A 39 144.588 -10.280 -9.514 1.00 0.00 N ATOM 0 H LYS A 39 141.735 -7.591 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 39 142.982 -9.368 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 39 144.915 -7.259 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 39 145.634 -8.606 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 39 145.743 -9.035 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 39 144.645 -10.185 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 39 142.759 -9.232 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 39 143.459 -7.627 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 39 143.196 -8.735 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 39 144.819 -8.175 -9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 144.650 -10.460 -10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 145.533 -10.367 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 143.948 -10.974 -9.079 1.00 0.00 H new ATOM 635 N PRO A 40 144.380 -9.800 -2.919 1.00 0.00 N ATOM 636 CA PRO A 40 144.749 -10.105 -1.532 1.00 0.00 C ATOM 637 C PRO A 40 145.574 -9.000 -0.882 1.00 0.00 C ATOM 638 O PRO A 40 146.804 -9.021 -0.923 1.00 0.00 O ATOM 639 CB PRO A 40 145.574 -11.384 -1.658 1.00 0.00 C ATOM 640 CG PRO A 40 145.053 -12.046 -2.885 1.00 0.00 C ATOM 641 CD PRO A 40 144.659 -10.935 -3.822 1.00 0.00 C ATOM 0 HA PRO A 40 143.870 -10.206 -0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 40 146.638 -11.163 -1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 40 145.454 -12.021 -0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 40 145.812 -12.685 -3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 40 144.198 -12.681 -2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 40 145.459 -10.701 -4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 40 143.783 -11.201 -4.413 1.00 0.00 H new ATOM 649 N CYS A 41 144.882 -8.040 -0.285 1.00 0.00 N ATOM 650 CA CYS A 41 145.533 -6.919 0.381 1.00 0.00 C ATOM 651 C CYS A 41 145.765 -7.216 1.863 1.00 0.00 C ATOM 652 O CYS A 41 145.198 -8.162 2.408 1.00 0.00 O ATOM 653 CB CYS A 41 144.678 -5.664 0.230 1.00 0.00 C ATOM 654 SG CYS A 41 143.033 -5.805 0.965 1.00 0.00 S ATOM 0 H CYS A 41 143.863 -8.015 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 41 146.504 -6.759 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 41 145.199 -4.824 0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 41 144.573 -5.433 -0.830 1.00 0.00 H new ATOM 0 HG CYS A 41 142.871 -4.865 1.849 1.00 0.00 H new ATOM 660 N MET A 42 146.601 -6.403 2.506 1.00 0.00 N ATOM 661 CA MET A 42 146.904 -6.580 3.924 1.00 0.00 C ATOM 662 C MET A 42 147.382 -5.271 4.552 1.00 0.00 C ATOM 663 O MET A 42 147.906 -4.393 3.865 1.00 0.00 O ATOM 664 CB MET A 42 147.970 -7.664 4.109 1.00 0.00 C ATOM 665 CG MET A 42 147.398 -9.024 4.475 1.00 0.00 C ATOM 666 SD MET A 42 148.609 -10.351 4.321 1.00 0.00 S ATOM 667 CE MET A 42 147.533 -11.778 4.188 1.00 0.00 C ATOM 0 H MET A 42 147.080 -5.616 2.068 1.00 0.00 H new ATOM 0 HA MET A 42 145.987 -6.889 4.426 1.00 0.00 H new ATOM 0 HB2 MET A 42 148.545 -7.757 3.188 1.00 0.00 H new ATOM 0 HB3 MET A 42 148.664 -7.350 4.888 1.00 0.00 H new ATOM 0 HG2 MET A 42 147.026 -8.994 5.499 1.00 0.00 H new ATOM 0 HG3 MET A 42 146.545 -9.240 3.832 1.00 0.00 H new ATOM 0 HE1 MET A 42 148.136 -12.680 4.086 1.00 0.00 H new ATOM 0 HE2 MET A 42 146.916 -11.853 5.083 1.00 0.00 H new ATOM 0 HE3 MET A 42 146.892 -11.670 3.313 1.00 0.00 H new ATOM 677 N LYS A 43 147.199 -5.148 5.866 1.00 0.00 N ATOM 678 CA LYS A 43 147.609 -3.949 6.593 1.00 0.00 C ATOM 679 C LYS A 43 148.018 -4.290 8.028 1.00 0.00 C ATOM 680 O LYS A 43 147.270 -4.940 8.763 1.00 0.00 O ATOM 681 CB LYS A 43 146.474 -2.924 6.609 1.00 0.00 C ATOM 682 CG LYS A 43 146.840 -1.623 7.304 1.00 0.00 C ATOM 683 CD LYS A 43 146.452 -1.645 8.774 1.00 0.00 C ATOM 684 CE LYS A 43 146.560 -0.263 9.397 1.00 0.00 C ATOM 685 NZ LYS A 43 145.566 -0.066 10.489 1.00 0.00 N ATOM 0 H LYS A 43 146.769 -5.866 6.449 1.00 0.00 H new ATOM 0 HA LYS A 43 148.471 -3.523 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 43 146.177 -2.707 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 43 145.608 -3.361 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 43 147.912 -1.450 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 43 146.340 -0.791 6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 43 145.431 -2.013 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 43 147.097 -2.340 9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 43 147.566 -0.121 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 43 146.409 0.495 8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 145.673 0.889 10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 144.605 -0.177 10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 145.726 -0.772 11.235 1.00 0.00 H new ATOM 699 N LYS A 44 149.208 -3.844 8.420 1.00 0.00 N ATOM 700 CA LYS A 44 149.714 -4.097 9.765 1.00 0.00 C ATOM 701 C LYS A 44 150.020 -2.784 10.483 1.00 0.00 C ATOM 702 O LYS A 44 149.772 -1.702 9.951 1.00 0.00 O ATOM 703 CB LYS A 44 150.972 -4.969 9.705 1.00 0.00 C ATOM 704 CG LYS A 44 150.773 -6.359 10.284 1.00 0.00 C ATOM 705 CD LYS A 44 152.099 -7.081 10.464 1.00 0.00 C ATOM 706 CE LYS A 44 152.596 -6.985 11.897 1.00 0.00 C ATOM 707 NZ LYS A 44 152.288 -8.216 12.677 1.00 0.00 N ATOM 0 H LYS A 44 149.839 -3.306 7.826 1.00 0.00 H new ATOM 0 HA LYS A 44 148.944 -4.626 10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 44 151.293 -5.059 8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 44 151.776 -4.470 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 44 150.264 -6.285 11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 44 150.127 -6.940 9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 44 151.984 -8.129 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 44 152.842 -6.653 9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 44 153.673 -6.816 11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 44 152.138 -6.124 12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 152.644 -8.109 13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 151.259 -8.364 12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 152.746 -9.035 12.229 1.00 0.00 H new ATOM 721 N THR A 45 150.565 -2.886 11.694 1.00 0.00 N ATOM 722 CA THR A 45 150.907 -1.710 12.472 1.00 0.00 C ATOM 723 C THR A 45 151.818 -2.065 13.645 1.00 0.00 C ATOM 724 O THR A 45 151.699 -3.138 14.240 1.00 0.00 O ATOM 725 CB THR A 45 149.642 -0.991 12.958 1.00 0.00 C ATOM 726 OG1 THR A 45 149.927 0.358 13.281 1.00 0.00 O ATOM 727 CG2 THR A 45 149.004 -1.625 14.175 1.00 0.00 C ATOM 0 H THR A 45 150.777 -3.772 12.152 1.00 0.00 H new ATOM 0 HA THR A 45 151.457 -1.029 11.822 1.00 0.00 H new ATOM 0 HB THR A 45 148.940 -1.066 12.127 1.00 0.00 H new ATOM 0 HG1 THR A 45 149.108 0.801 13.587 1.00 0.00 H new ATOM 0 HG21 THR A 45 148.116 -1.059 14.457 1.00 0.00 H new ATOM 0 HG22 THR A 45 148.722 -2.652 13.944 1.00 0.00 H new ATOM 0 HG23 THR A 45 149.714 -1.621 15.002 1.00 0.00 H new ATOM 735 N ILE A 46 152.737 -1.150 13.952 1.00 0.00 N ATOM 736 CA ILE A 46 153.698 -1.339 15.034 1.00 0.00 C ATOM 737 C ILE A 46 153.661 -0.180 16.023 1.00 0.00 C ATOM 738 O ILE A 46 154.351 0.822 15.840 1.00 0.00 O ATOM 739 CB ILE A 46 155.129 -1.456 14.481 1.00 0.00 C ATOM 740 CG1 ILE A 46 155.206 -2.575 13.444 1.00 0.00 C ATOM 741 CG2 ILE A 46 156.122 -1.691 15.608 1.00 0.00 C ATOM 742 CD1 ILE A 46 154.826 -2.127 12.052 1.00 0.00 C ATOM 0 H ILE A 46 152.835 -0.262 13.460 1.00 0.00 H new ATOM 0 HA ILE A 46 153.418 -2.260 15.545 1.00 0.00 H new ATOM 0 HB ILE A 46 155.391 -0.517 13.993 1.00 0.00 H new ATOM 0 HG12 ILE A 46 156.220 -2.975 13.425 1.00 0.00 H new ATOM 0 HG13 ILE A 46 154.548 -3.389 13.748 1.00 0.00 H new ATOM 0 HG21 ILE A 46 157.128 -1.771 15.196 1.00 0.00 H new ATOM 0 HG22 ILE A 46 156.082 -0.857 16.308 1.00 0.00 H new ATOM 0 HG23 ILE A 46 155.869 -2.614 16.129 1.00 0.00 H new ATOM 0 HD11 ILE A 46 154.902 -2.970 11.365 1.00 0.00 H new ATOM 0 HD12 ILE A 46 153.802 -1.754 12.057 1.00 0.00 H new ATOM 0 HD13 ILE A 46 155.500 -1.333 11.729 1.00 0.00 H new ATOM 754 N TYR A 47 152.870 -0.320 17.075 1.00 0.00 N ATOM 755 CA TYR A 47 152.769 0.724 18.084 1.00 0.00 C ATOM 756 C TYR A 47 153.588 0.360 19.319 1.00 0.00 C ATOM 757 O TYR A 47 153.732 -0.816 19.655 1.00 0.00 O ATOM 758 CB TYR A 47 151.308 0.962 18.470 1.00 0.00 C ATOM 759 CG TYR A 47 150.680 -0.194 19.218 1.00 0.00 C ATOM 760 CD1 TYR A 47 150.260 -1.335 18.546 1.00 0.00 C ATOM 761 CD2 TYR A 47 150.508 -0.143 20.595 1.00 0.00 C ATOM 762 CE1 TYR A 47 149.687 -2.393 19.226 1.00 0.00 C ATOM 763 CE2 TYR A 47 149.937 -1.198 21.283 1.00 0.00 C ATOM 764 CZ TYR A 47 149.527 -2.319 20.594 1.00 0.00 C ATOM 765 OH TYR A 47 148.957 -3.369 21.275 1.00 0.00 O ATOM 0 H TYR A 47 152.291 -1.141 17.253 1.00 0.00 H new ATOM 0 HA TYR A 47 153.170 1.645 17.660 1.00 0.00 H new ATOM 0 HB2 TYR A 47 151.246 1.859 19.087 1.00 0.00 H new ATOM 0 HB3 TYR A 47 150.730 1.156 17.567 1.00 0.00 H new ATOM 0 HD1 TYR A 47 150.383 -1.396 17.475 1.00 0.00 H new ATOM 0 HD2 TYR A 47 150.825 0.735 21.138 1.00 0.00 H new ATOM 0 HE1 TYR A 47 149.366 -3.273 18.689 1.00 0.00 H new ATOM 0 HE2 TYR A 47 149.813 -1.144 22.354 1.00 0.00 H new ATOM 0 HH TYR A 47 148.919 -3.157 22.231 1.00 0.00 H new ATOM 775 N GLU A 48 154.126 1.373 19.988 1.00 0.00 N ATOM 776 CA GLU A 48 154.932 1.157 21.184 1.00 0.00 C ATOM 777 C GLU A 48 154.053 0.845 22.390 1.00 0.00 C ATOM 778 O GLU A 48 153.776 -0.317 22.689 1.00 0.00 O ATOM 779 CB GLU A 48 155.819 2.379 21.454 1.00 0.00 C ATOM 780 CG GLU A 48 156.591 2.300 22.763 1.00 0.00 C ATOM 781 CD GLU A 48 158.094 2.352 22.560 1.00 0.00 C ATOM 782 OE1 GLU A 48 158.547 3.095 21.665 1.00 0.00 O ATOM 783 OE2 GLU A 48 158.817 1.648 23.295 1.00 0.00 O ATOM 0 H GLU A 48 154.019 2.352 19.723 1.00 0.00 H new ATOM 0 HA GLU A 48 155.575 0.294 21.013 1.00 0.00 H new ATOM 0 HB2 GLU A 48 156.526 2.492 20.632 1.00 0.00 H new ATOM 0 HB3 GLU A 48 155.196 3.273 21.464 1.00 0.00 H new ATOM 0 HG2 GLU A 48 156.287 3.123 23.410 1.00 0.00 H new ATOM 0 HG3 GLU A 48 156.330 1.376 23.279 1.00 0.00 H new ATOM 790 N ASN A 49 153.620 1.890 23.071 1.00 0.00 N ATOM 791 CA ASN A 49 152.768 1.751 24.247 1.00 0.00 C ATOM 792 C ASN A 49 151.996 3.041 24.492 1.00 0.00 C ATOM 793 O ASN A 49 150.766 3.048 24.523 1.00 0.00 O ATOM 794 CB ASN A 49 153.608 1.402 25.476 1.00 0.00 C ATOM 795 CG ASN A 49 154.308 0.063 25.339 1.00 0.00 C ATOM 796 OD1 ASN A 49 155.536 -0.009 25.320 1.00 0.00 O ATOM 797 ND2 ASN A 49 153.525 -1.006 25.245 1.00 0.00 N ATOM 0 H ASN A 49 153.845 2.855 22.830 1.00 0.00 H new ATOM 0 HA ASN A 49 152.059 0.943 24.068 1.00 0.00 H new ATOM 0 HB2 ASN A 49 154.352 2.182 25.638 1.00 0.00 H new ATOM 0 HB3 ASN A 49 152.967 1.385 26.357 1.00 0.00 H new ATOM 0 HD21 ASN A 49 153.938 -1.934 25.153 1.00 0.00 H new ATOM 0 HD22 ASN A 49 152.511 -0.899 25.265 1.00 0.00 H new ATOM 804 N GLU A 50 152.733 4.134 24.649 1.00 0.00 N ATOM 805 CA GLU A 50 152.128 5.440 24.874 1.00 0.00 C ATOM 806 C GLU A 50 152.188 6.268 23.596 1.00 0.00 C ATOM 807 O GLU A 50 152.376 7.484 23.637 1.00 0.00 O ATOM 808 CB GLU A 50 152.847 6.174 26.007 1.00 0.00 C ATOM 809 CG GLU A 50 154.327 6.400 25.744 1.00 0.00 C ATOM 810 CD GLU A 50 154.786 7.786 26.145 1.00 0.00 C ATOM 811 OE1 GLU A 50 154.426 8.234 27.255 1.00 0.00 O ATOM 812 OE2 GLU A 50 155.507 8.426 25.351 1.00 0.00 O ATOM 0 H GLU A 50 153.753 4.141 24.624 1.00 0.00 H new ATOM 0 HA GLU A 50 151.086 5.297 25.158 1.00 0.00 H new ATOM 0 HB2 GLU A 50 152.364 7.138 26.168 1.00 0.00 H new ATOM 0 HB3 GLU A 50 152.733 5.603 26.928 1.00 0.00 H new ATOM 0 HG2 GLU A 50 154.907 5.657 26.292 1.00 0.00 H new ATOM 0 HG3 GLU A 50 154.531 6.246 24.684 1.00 0.00 H new ATOM 819 N ARG A 51 152.036 5.590 22.460 1.00 0.00 N ATOM 820 CA ARG A 51 152.080 6.245 21.157 1.00 0.00 C ATOM 821 C ARG A 51 153.479 6.787 20.879 1.00 0.00 C ATOM 822 O ARG A 51 153.652 7.963 20.562 1.00 0.00 O ATOM 823 CB ARG A 51 151.048 7.375 21.083 1.00 0.00 C ATOM 824 CG ARG A 51 149.711 6.936 20.506 1.00 0.00 C ATOM 825 CD ARG A 51 148.594 7.049 21.530 1.00 0.00 C ATOM 826 NE ARG A 51 147.626 5.961 21.405 1.00 0.00 N ATOM 827 CZ ARG A 51 147.862 4.710 21.792 1.00 0.00 C ATOM 828 NH1 ARG A 51 149.031 4.385 22.330 1.00 0.00 N ATOM 829 NH2 ARG A 51 146.927 3.783 21.643 1.00 0.00 N ATOM 0 H ARG A 51 151.881 4.583 22.417 1.00 0.00 H new ATOM 0 HA ARG A 51 151.835 5.505 20.395 1.00 0.00 H new ATOM 0 HB2 ARG A 51 150.889 7.778 22.083 1.00 0.00 H new ATOM 0 HB3 ARG A 51 151.450 8.185 20.474 1.00 0.00 H new ATOM 0 HG2 ARG A 51 149.471 7.548 19.636 1.00 0.00 H new ATOM 0 HG3 ARG A 51 149.785 5.905 20.160 1.00 0.00 H new ATOM 0 HD2 ARG A 51 149.020 7.042 22.533 1.00 0.00 H new ATOM 0 HD3 ARG A 51 148.084 8.004 21.407 1.00 0.00 H new ATOM 0 HE ARG A 51 146.716 6.173 20.997 1.00 0.00 H new ATOM 0 HH11 ARG A 51 149.753 5.096 22.448 1.00 0.00 H new ATOM 0 HH12 ARG A 51 149.207 3.425 22.625 1.00 0.00 H new ATOM 0 HH21 ARG A 51 146.026 4.028 21.232 1.00 0.00 H new ATOM 0 HH22 ARG A 51 147.108 2.824 21.940 1.00 0.00 H new ATOM 843 N GLU A 52 154.476 5.917 21.005 1.00 0.00 N ATOM 844 CA GLU A 52 155.862 6.305 20.772 1.00 0.00 C ATOM 845 C GLU A 52 156.285 6.032 19.332 1.00 0.00 C ATOM 846 O GLU A 52 157.301 6.546 18.867 1.00 0.00 O ATOM 847 CB GLU A 52 156.792 5.570 21.743 1.00 0.00 C ATOM 848 CG GLU A 52 157.449 6.485 22.764 1.00 0.00 C ATOM 849 CD GLU A 52 158.376 7.499 22.126 1.00 0.00 C ATOM 850 OE1 GLU A 52 158.152 7.850 20.948 1.00 0.00 O ATOM 851 OE2 GLU A 52 159.327 7.943 22.804 1.00 0.00 O ATOM 0 H GLU A 52 154.350 4.939 21.267 1.00 0.00 H new ATOM 0 HA GLU A 52 155.939 7.378 20.947 1.00 0.00 H new ATOM 0 HB2 GLU A 52 156.223 4.803 22.268 1.00 0.00 H new ATOM 0 HB3 GLU A 52 157.568 5.058 21.173 1.00 0.00 H new ATOM 0 HG2 GLU A 52 156.677 7.008 23.327 1.00 0.00 H new ATOM 0 HG3 GLU A 52 158.011 5.883 23.478 1.00 0.00 H new ATOM 858 N ILE A 53 155.502 5.225 18.629 1.00 0.00 N ATOM 859 CA ILE A 53 155.804 4.895 17.242 1.00 0.00 C ATOM 860 C ILE A 53 154.535 4.748 16.410 1.00 0.00 C ATOM 861 O ILE A 53 154.124 5.675 15.713 1.00 0.00 O ATOM 862 CB ILE A 53 156.685 3.622 17.132 1.00 0.00 C ATOM 863 CG1 ILE A 53 156.728 3.101 15.687 1.00 0.00 C ATOM 864 CG2 ILE A 53 156.208 2.539 18.088 1.00 0.00 C ATOM 865 CD1 ILE A 53 157.577 1.859 15.513 1.00 0.00 C ATOM 0 H ILE A 53 154.656 4.788 18.994 1.00 0.00 H new ATOM 0 HA ILE A 53 156.375 5.730 16.837 1.00 0.00 H new ATOM 0 HB ILE A 53 157.700 3.897 17.419 1.00 0.00 H new ATOM 0 HG12 ILE A 53 155.712 2.885 15.358 1.00 0.00 H new ATOM 0 HG13 ILE A 53 157.113 3.887 15.038 1.00 0.00 H new ATOM 0 HG21 ILE A 53 156.844 1.660 17.988 1.00 0.00 H new ATOM 0 HG22 ILE A 53 156.259 2.909 19.112 1.00 0.00 H new ATOM 0 HG23 ILE A 53 155.179 2.271 17.850 1.00 0.00 H new ATOM 0 HD11 ILE A 53 157.560 1.550 14.468 1.00 0.00 H new ATOM 0 HD12 ILE A 53 158.603 2.075 15.811 1.00 0.00 H new ATOM 0 HD13 ILE A 53 157.180 1.057 16.135 1.00 0.00 H new ATOM 877 N LYS A 54 153.930 3.580 16.482 1.00 0.00 N ATOM 878 CA LYS A 54 152.712 3.292 15.734 1.00 0.00 C ATOM 879 C LYS A 54 152.998 3.244 14.235 1.00 0.00 C ATOM 880 O LYS A 54 152.465 4.043 13.465 1.00 0.00 O ATOM 881 CB LYS A 54 151.643 4.345 16.030 1.00 0.00 C ATOM 882 CG LYS A 54 150.233 3.779 16.099 1.00 0.00 C ATOM 883 CD LYS A 54 149.314 4.678 16.911 1.00 0.00 C ATOM 884 CE LYS A 54 147.954 4.830 16.250 1.00 0.00 C ATOM 885 NZ LYS A 54 147.207 6.004 16.783 1.00 0.00 N ATOM 0 H LYS A 54 154.262 2.805 17.055 1.00 0.00 H new ATOM 0 HA LYS A 54 152.342 2.316 16.048 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.877 4.832 16.977 1.00 0.00 H new ATOM 0 HB3 LYS A 54 151.679 5.114 15.259 1.00 0.00 H new ATOM 0 HG2 LYS A 54 149.835 3.665 15.091 1.00 0.00 H new ATOM 0 HG3 LYS A 54 150.260 2.785 16.545 1.00 0.00 H new ATOM 0 HD2 LYS A 54 149.189 4.263 17.911 1.00 0.00 H new ATOM 0 HD3 LYS A 54 149.774 5.659 17.028 1.00 0.00 H new ATOM 0 HE2 LYS A 54 148.084 4.940 15.173 1.00 0.00 H new ATOM 0 HE3 LYS A 54 147.369 3.924 16.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 146.285 6.074 16.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 147.061 5.887 17.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 147.753 6.872 16.608 1.00 0.00 H new ATOM 899 N GLY A 55 153.841 2.298 13.825 1.00 0.00 N ATOM 900 CA GLY A 55 154.170 2.169 12.416 1.00 0.00 C ATOM 901 C GLY A 55 153.173 1.306 11.679 1.00 0.00 C ATOM 902 O GLY A 55 153.226 0.081 11.768 1.00 0.00 O ATOM 0 H GLY A 55 154.299 1.624 14.439 1.00 0.00 H new ATOM 0 HA2 GLY A 55 154.201 3.158 11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 55 155.167 1.739 12.314 1.00 0.00 H new ATOM 906 N TYR A 56 152.254 1.941 10.960 1.00 0.00 N ATOM 907 CA TYR A 56 151.231 1.205 10.224 1.00 0.00 C ATOM 908 C TYR A 56 151.531 1.158 8.733 1.00 0.00 C ATOM 909 O TYR A 56 151.585 2.187 8.060 1.00 0.00 O ATOM 910 CB TYR A 56 149.844 1.806 10.475 1.00 0.00 C ATOM 911 CG TYR A 56 149.721 3.263 10.089 1.00 0.00 C ATOM 912 CD1 TYR A 56 150.212 4.266 10.916 1.00 0.00 C ATOM 913 CD2 TYR A 56 149.104 3.635 8.902 1.00 0.00 C ATOM 914 CE1 TYR A 56 150.092 5.598 10.570 1.00 0.00 C ATOM 915 CE2 TYR A 56 148.981 4.966 8.549 1.00 0.00 C ATOM 916 CZ TYR A 56 149.477 5.942 9.386 1.00 0.00 C ATOM 917 OH TYR A 56 149.355 7.268 9.039 1.00 0.00 O ATOM 0 H TYR A 56 152.196 2.955 10.871 1.00 0.00 H new ATOM 0 HA TYR A 56 151.239 0.180 10.593 1.00 0.00 H new ATOM 0 HB2 TYR A 56 149.105 1.230 9.918 1.00 0.00 H new ATOM 0 HB3 TYR A 56 149.600 1.700 11.532 1.00 0.00 H new ATOM 0 HD1 TYR A 56 150.695 4.000 11.844 1.00 0.00 H new ATOM 0 HD2 TYR A 56 148.714 2.872 8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 56 150.478 6.366 11.224 1.00 0.00 H new ATOM 0 HE2 TYR A 56 148.499 5.239 7.622 1.00 0.00 H new ATOM 0 HH TYR A 56 148.899 7.339 8.175 1.00 0.00 H new ATOM 927 N GLU A 57 151.719 -0.058 8.227 1.00 0.00 N ATOM 928 CA GLU A 57 152.008 -0.268 6.817 1.00 0.00 C ATOM 929 C GLU A 57 150.754 -0.723 6.076 1.00 0.00 C ATOM 930 O GLU A 57 150.050 -1.627 6.525 1.00 0.00 O ATOM 931 CB GLU A 57 153.122 -1.304 6.652 1.00 0.00 C ATOM 932 CG GLU A 57 154.307 -1.074 7.577 1.00 0.00 C ATOM 933 CD GLU A 57 155.595 -1.661 7.033 1.00 0.00 C ATOM 934 OE1 GLU A 57 155.811 -1.585 5.805 1.00 0.00 O ATOM 935 OE2 GLU A 57 156.388 -2.196 7.836 1.00 0.00 O ATOM 0 H GLU A 57 151.675 -0.915 8.778 1.00 0.00 H new ATOM 0 HA GLU A 57 152.341 0.678 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 57 152.714 -2.297 6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 57 153.470 -1.290 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 57 154.438 -0.003 7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 57 154.094 -1.515 8.551 1.00 0.00 H new ATOM 942 N TYR A 58 150.480 -0.084 4.946 1.00 0.00 N ATOM 943 CA TYR A 58 149.309 -0.413 4.145 1.00 0.00 C ATOM 944 C TYR A 58 149.723 -0.928 2.767 1.00 0.00 C ATOM 945 O TYR A 58 149.854 -0.155 1.819 1.00 0.00 O ATOM 946 CB TYR A 58 148.419 0.824 3.997 1.00 0.00 C ATOM 947 CG TYR A 58 146.957 0.572 4.298 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.199 -0.271 3.496 1.00 0.00 C ATOM 949 CD2 TYR A 58 146.338 1.181 5.382 1.00 0.00 C ATOM 950 CE1 TYR A 58 144.864 -0.500 3.766 1.00 0.00 C ATOM 951 CE2 TYR A 58 145.002 0.956 5.659 1.00 0.00 C ATOM 952 CZ TYR A 58 144.270 0.115 4.847 1.00 0.00 C ATOM 953 OH TYR A 58 142.940 -0.112 5.117 1.00 0.00 O ATOM 0 H TYR A 58 151.055 0.667 4.563 1.00 0.00 H new ATOM 0 HA TYR A 58 148.751 -1.200 4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 58 148.787 1.605 4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 58 148.509 1.204 2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 58 146.661 -0.755 2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 58 146.909 1.841 6.019 1.00 0.00 H new ATOM 0 HE1 TYR A 58 144.288 -1.158 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 58 144.535 1.436 6.506 1.00 0.00 H new ATOM 0 HH TYR A 58 142.839 -0.984 5.554 1.00 0.00 H new ATOM 963 N GLN A 59 149.928 -2.238 2.665 1.00 0.00 N ATOM 964 CA GLN A 59 150.325 -2.856 1.403 1.00 0.00 C ATOM 965 C GLN A 59 149.163 -3.632 0.798 1.00 0.00 C ATOM 966 O GLN A 59 148.720 -4.634 1.359 1.00 0.00 O ATOM 967 CB GLN A 59 151.522 -3.785 1.620 1.00 0.00 C ATOM 968 CG GLN A 59 151.216 -4.966 2.527 1.00 0.00 C ATOM 969 CD GLN A 59 152.233 -5.125 3.642 1.00 0.00 C ATOM 970 OE1 GLN A 59 153.140 -5.955 3.558 1.00 0.00 O ATOM 971 NE2 GLN A 59 152.087 -4.328 4.694 1.00 0.00 N ATOM 0 H GLN A 59 149.826 -2.892 3.441 1.00 0.00 H new ATOM 0 HA GLN A 59 150.613 -2.066 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 59 151.863 -4.158 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 59 152.344 -3.211 2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 59 150.224 -4.839 2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 59 151.189 -5.879 1.932 1.00 0.00 H new ATOM 0 HE21 GLN A 59 151.321 -3.655 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 59 152.741 -4.389 5.475 1.00 0.00 H new ATOM 980 N LEU A 60 148.670 -3.167 -0.348 1.00 0.00 N ATOM 981 CA LEU A 60 147.558 -3.822 -1.018 1.00 0.00 C ATOM 982 C LEU A 60 147.890 -4.101 -2.479 1.00 0.00 C ATOM 983 O LEU A 60 148.941 -3.692 -2.970 1.00 0.00 O ATOM 984 CB LEU A 60 146.277 -2.976 -0.930 1.00 0.00 C ATOM 985 CG LEU A 60 146.099 -2.145 0.348 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.665 -1.650 0.461 1.00 0.00 C ATOM 987 CD2 LEU A 60 146.465 -2.949 1.584 1.00 0.00 C ATOM 0 H LEU A 60 149.025 -2.340 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 60 147.385 -4.769 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 60 146.254 -2.299 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 60 145.420 -3.642 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 60 146.771 -1.289 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 60 144.554 -1.062 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 60 144.425 -1.030 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 60 143.987 -2.503 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 60 146.328 -2.333 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 60 145.823 -3.828 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 60 147.506 -3.264 1.518 1.00 0.00 H new ATOM 999 N TYR A 61 146.986 -4.786 -3.178 1.00 0.00 N ATOM 1000 CA TYR A 61 147.196 -5.095 -4.582 1.00 0.00 C ATOM 1001 C TYR A 61 146.206 -4.315 -5.431 1.00 0.00 C ATOM 1002 O TYR A 61 145.213 -3.801 -4.914 1.00 0.00 O ATOM 1003 CB TYR A 61 147.043 -6.593 -4.829 1.00 0.00 C ATOM 1004 CG TYR A 61 148.300 -7.386 -4.560 1.00 0.00 C ATOM 1005 CD1 TYR A 61 148.684 -7.698 -3.263 1.00 0.00 C ATOM 1006 CD2 TYR A 61 149.103 -7.827 -5.605 1.00 0.00 C ATOM 1007 CE1 TYR A 61 149.831 -8.427 -3.013 1.00 0.00 C ATOM 1008 CE2 TYR A 61 150.251 -8.556 -5.364 1.00 0.00 C ATOM 1009 CZ TYR A 61 150.611 -8.854 -4.067 1.00 0.00 C ATOM 1010 OH TYR A 61 151.752 -9.580 -3.821 1.00 0.00 O ATOM 0 H TYR A 61 146.108 -5.134 -2.793 1.00 0.00 H new ATOM 0 HA TYR A 61 148.210 -4.806 -4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 61 146.241 -6.976 -4.198 1.00 0.00 H new ATOM 0 HB3 TYR A 61 146.738 -6.752 -5.863 1.00 0.00 H new ATOM 0 HD1 TYR A 61 148.076 -7.365 -2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 61 148.825 -7.596 -6.623 1.00 0.00 H new ATOM 0 HE1 TYR A 61 150.115 -8.661 -1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 61 150.864 -8.891 -6.188 1.00 0.00 H new ATOM 0 HH TYR A 61 152.186 -9.804 -4.670 1.00 0.00 H new ATOM 1020 N VAL A 62 146.472 -4.211 -6.725 1.00 0.00 N ATOM 1021 CA VAL A 62 145.582 -3.468 -7.599 1.00 0.00 C ATOM 1022 C VAL A 62 145.499 -4.062 -8.997 1.00 0.00 C ATOM 1023 O VAL A 62 146.479 -4.076 -9.740 1.00 0.00 O ATOM 1024 CB VAL A 62 146.012 -1.991 -7.702 1.00 0.00 C ATOM 1025 CG1 VAL A 62 147.486 -1.890 -8.059 1.00 0.00 C ATOM 1026 CG2 VAL A 62 145.156 -1.243 -8.716 1.00 0.00 C ATOM 0 H VAL A 62 147.283 -4.625 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 62 144.593 -3.534 -7.146 1.00 0.00 H new ATOM 0 HB VAL A 62 145.862 -1.524 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 62 147.773 -0.841 -8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 62 148.081 -2.379 -7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 62 147.662 -2.378 -9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 62 145.480 -0.204 -8.769 1.00 0.00 H new ATOM 0 HG22 VAL A 62 145.264 -1.707 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 62 144.111 -1.282 -8.409 1.00 0.00 H new ATOM 1036 N TYR A 63 144.306 -4.517 -9.362 1.00 0.00 N ATOM 1037 CA TYR A 63 144.086 -5.070 -10.691 1.00 0.00 C ATOM 1038 C TYR A 63 143.855 -3.929 -11.675 1.00 0.00 C ATOM 1039 O TYR A 63 142.757 -3.754 -12.201 1.00 0.00 O ATOM 1040 CB TYR A 63 142.890 -6.024 -10.691 1.00 0.00 C ATOM 1041 CG TYR A 63 142.952 -7.069 -11.783 1.00 0.00 C ATOM 1042 CD1 TYR A 63 144.129 -7.761 -12.039 1.00 0.00 C ATOM 1043 CD2 TYR A 63 141.836 -7.361 -12.556 1.00 0.00 C ATOM 1044 CE1 TYR A 63 144.193 -8.715 -13.038 1.00 0.00 C ATOM 1045 CE2 TYR A 63 141.891 -8.314 -13.556 1.00 0.00 C ATOM 1046 CZ TYR A 63 143.071 -8.988 -13.792 1.00 0.00 C ATOM 1047 OH TYR A 63 143.132 -9.936 -14.787 1.00 0.00 O ATOM 0 H TYR A 63 143.482 -4.514 -8.761 1.00 0.00 H new ATOM 0 HA TYR A 63 144.966 -5.638 -10.992 1.00 0.00 H new ATOM 0 HB2 TYR A 63 142.834 -6.523 -9.724 1.00 0.00 H new ATOM 0 HB3 TYR A 63 141.973 -5.445 -10.805 1.00 0.00 H new ATOM 0 HD1 TYR A 63 145.008 -7.551 -11.448 1.00 0.00 H new ATOM 0 HD2 TYR A 63 140.910 -6.835 -12.373 1.00 0.00 H new ATOM 0 HE1 TYR A 63 145.116 -9.243 -13.227 1.00 0.00 H new ATOM 0 HE2 TYR A 63 141.015 -8.530 -14.149 1.00 0.00 H new ATOM 0 HH TYR A 63 142.257 -10.009 -15.223 1.00 0.00 H new ATOM 1057 N ALA A 64 144.900 -3.134 -11.891 1.00 0.00 N ATOM 1058 CA ALA A 64 144.822 -1.983 -12.783 1.00 0.00 C ATOM 1059 C ALA A 64 144.769 -2.403 -14.247 1.00 0.00 C ATOM 1060 O ALA A 64 144.671 -3.589 -14.563 1.00 0.00 O ATOM 1061 CB ALA A 64 146.002 -1.058 -12.537 1.00 0.00 C ATOM 0 H ALA A 64 145.814 -3.268 -11.458 1.00 0.00 H new ATOM 0 HA ALA A 64 143.896 -1.452 -12.565 1.00 0.00 H new ATOM 0 HB1 ALA A 64 145.938 -0.200 -13.207 1.00 0.00 H new ATOM 0 HB2 ALA A 64 145.985 -0.713 -11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 64 146.931 -1.596 -12.725 1.00 0.00 H new ATOM 1067 N SER A 65 144.830 -1.416 -15.140 1.00 0.00 N ATOM 1068 CA SER A 65 144.785 -1.679 -16.574 1.00 0.00 C ATOM 1069 C SER A 65 146.013 -2.462 -17.025 1.00 0.00 C ATOM 1070 O SER A 65 145.896 -3.458 -17.740 1.00 0.00 O ATOM 1071 CB SER A 65 144.690 -0.364 -17.352 1.00 0.00 C ATOM 1072 OG SER A 65 145.707 0.539 -16.954 1.00 0.00 O ATOM 0 H SER A 65 144.911 -0.429 -14.894 1.00 0.00 H new ATOM 0 HA SER A 65 143.899 -2.280 -16.779 1.00 0.00 H new ATOM 0 HB2 SER A 65 144.774 -0.563 -18.420 1.00 0.00 H new ATOM 0 HB3 SER A 65 143.712 0.089 -17.188 1.00 0.00 H new ATOM 0 HG SER A 65 145.625 1.370 -17.467 1.00 0.00 H new ATOM 1078 N ASP A 66 147.189 -2.001 -16.611 1.00 0.00 N ATOM 1079 CA ASP A 66 148.438 -2.652 -16.979 1.00 0.00 C ATOM 1080 C ASP A 66 148.432 -4.121 -16.588 1.00 0.00 C ATOM 1081 O ASP A 66 148.816 -4.990 -17.371 1.00 0.00 O ATOM 1082 CB ASP A 66 149.624 -1.941 -16.326 1.00 0.00 C ATOM 1083 CG ASP A 66 150.928 -2.205 -17.052 1.00 0.00 C ATOM 1084 OD1 ASP A 66 151.278 -3.391 -17.233 1.00 0.00 O ATOM 1085 OD2 ASP A 66 151.598 -1.226 -17.444 1.00 0.00 O ATOM 0 H ASP A 66 147.301 -1.178 -16.020 1.00 0.00 H new ATOM 0 HA ASP A 66 148.538 -2.589 -18.063 1.00 0.00 H new ATOM 0 HB2 ASP A 66 149.434 -0.868 -16.305 1.00 0.00 H new ATOM 0 HB3 ASP A 66 149.715 -2.269 -15.290 1.00 0.00 H new ATOM 1090 N LYS A 67 147.992 -4.379 -15.370 1.00 0.00 N ATOM 1091 CA LYS A 67 147.923 -5.740 -14.836 1.00 0.00 C ATOM 1092 C LYS A 67 147.695 -5.720 -13.325 1.00 0.00 C ATOM 1093 O LYS A 67 147.427 -4.670 -12.740 1.00 0.00 O ATOM 1094 CB LYS A 67 149.208 -6.513 -15.159 1.00 0.00 C ATOM 1095 CG LYS A 67 150.474 -5.687 -14.994 1.00 0.00 C ATOM 1096 CD LYS A 67 151.611 -6.521 -14.427 1.00 0.00 C ATOM 1097 CE LYS A 67 152.961 -6.027 -14.920 1.00 0.00 C ATOM 1098 NZ LYS A 67 154.035 -7.032 -14.695 1.00 0.00 N ATOM 0 H LYS A 67 147.672 -3.660 -14.721 1.00 0.00 H new ATOM 0 HA LYS A 67 147.080 -6.243 -15.310 1.00 0.00 H new ATOM 0 HB2 LYS A 67 149.268 -7.388 -14.511 1.00 0.00 H new ATOM 0 HB3 LYS A 67 149.154 -6.879 -16.184 1.00 0.00 H new ATOM 0 HG2 LYS A 67 150.769 -5.275 -15.959 1.00 0.00 H new ATOM 0 HG3 LYS A 67 150.276 -4.843 -14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 67 151.584 -6.483 -13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 67 151.477 -7.564 -14.713 1.00 0.00 H new ATOM 0 HE2 LYS A 67 152.897 -5.796 -15.983 1.00 0.00 H new ATOM 0 HE3 LYS A 67 153.218 -5.100 -14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 154.940 -6.657 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 154.114 -7.234 -13.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 153.803 -7.908 -15.205 1.00 0.00 H new ATOM 1112 N LEU A 68 147.802 -6.892 -12.703 1.00 0.00 N ATOM 1113 CA LEU A 68 147.611 -7.015 -11.262 1.00 0.00 C ATOM 1114 C LEU A 68 148.739 -6.322 -10.501 1.00 0.00 C ATOM 1115 O LEU A 68 149.585 -6.973 -9.889 1.00 0.00 O ATOM 1116 CB LEU A 68 147.540 -8.490 -10.859 1.00 0.00 C ATOM 1117 CG LEU A 68 148.684 -9.361 -11.383 1.00 0.00 C ATOM 1118 CD1 LEU A 68 149.141 -10.343 -10.318 1.00 0.00 C ATOM 1119 CD2 LEU A 68 148.258 -10.101 -12.643 1.00 0.00 C ATOM 0 H LEU A 68 148.020 -7.769 -13.175 1.00 0.00 H new ATOM 0 HA LEU A 68 146.670 -6.529 -11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 68 147.525 -8.553 -9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 68 146.596 -8.903 -11.216 1.00 0.00 H new ATOM 0 HG LEU A 68 149.523 -8.711 -11.632 1.00 0.00 H new ATOM 0 HD11 LEU A 68 149.955 -10.953 -10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 68 149.488 -9.795 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 68 148.308 -10.987 -10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 68 149.084 -10.715 -13.001 1.00 0.00 H new ATOM 0 HD22 LEU A 68 147.403 -10.738 -12.419 1.00 0.00 H new ATOM 0 HD23 LEU A 68 147.982 -9.380 -13.412 1.00 0.00 H new ATOM 1131 N PHE A 69 148.742 -4.995 -10.546 1.00 0.00 N ATOM 1132 CA PHE A 69 149.759 -4.206 -9.865 1.00 0.00 C ATOM 1133 C PHE A 69 149.657 -4.381 -8.350 1.00 0.00 C ATOM 1134 O PHE A 69 148.970 -5.280 -7.865 1.00 0.00 O ATOM 1135 CB PHE A 69 149.614 -2.728 -10.243 1.00 0.00 C ATOM 1136 CG PHE A 69 150.567 -2.288 -11.315 1.00 0.00 C ATOM 1137 CD1 PHE A 69 150.584 -2.923 -12.547 1.00 0.00 C ATOM 1138 CD2 PHE A 69 151.447 -1.242 -11.094 1.00 0.00 C ATOM 1139 CE1 PHE A 69 151.461 -2.522 -13.537 1.00 0.00 C ATOM 1140 CE2 PHE A 69 152.326 -0.836 -12.079 1.00 0.00 C ATOM 1141 CZ PHE A 69 152.333 -1.476 -13.302 1.00 0.00 C ATOM 0 H PHE A 69 148.048 -4.442 -11.049 1.00 0.00 H new ATOM 0 HA PHE A 69 150.741 -4.558 -10.181 1.00 0.00 H new ATOM 0 HB2 PHE A 69 148.593 -2.545 -10.578 1.00 0.00 H new ATOM 0 HB3 PHE A 69 149.772 -2.117 -9.354 1.00 0.00 H new ATOM 0 HD1 PHE A 69 149.904 -3.741 -12.735 1.00 0.00 H new ATOM 0 HD2 PHE A 69 151.446 -0.737 -10.139 1.00 0.00 H new ATOM 0 HE1 PHE A 69 151.465 -3.025 -14.493 1.00 0.00 H new ATOM 0 HE2 PHE A 69 153.007 -0.019 -11.893 1.00 0.00 H new ATOM 0 HZ PHE A 69 153.019 -1.160 -14.074 1.00 0.00 H new ATOM 1151 N ARG A 70 150.342 -3.515 -7.610 1.00 0.00 N ATOM 1152 CA ARG A 70 150.333 -3.567 -6.158 1.00 0.00 C ATOM 1153 C ARG A 70 151.128 -2.400 -5.588 1.00 0.00 C ATOM 1154 O ARG A 70 152.130 -1.985 -6.168 1.00 0.00 O ATOM 1155 CB ARG A 70 150.917 -4.896 -5.671 1.00 0.00 C ATOM 1156 CG ARG A 70 150.990 -5.021 -4.157 1.00 0.00 C ATOM 1157 CD ARG A 70 152.233 -5.779 -3.721 1.00 0.00 C ATOM 1158 NE ARG A 70 152.758 -5.288 -2.449 1.00 0.00 N ATOM 1159 CZ ARG A 70 153.755 -5.866 -1.785 1.00 0.00 C ATOM 1160 NH1 ARG A 70 154.336 -6.959 -2.267 1.00 0.00 N ATOM 1161 NH2 ARG A 70 154.173 -5.353 -0.636 1.00 0.00 N ATOM 0 H ARG A 70 150.913 -2.765 -7.999 1.00 0.00 H new ATOM 0 HA ARG A 70 149.303 -3.492 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 70 150.312 -5.713 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 70 151.919 -5.014 -6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 70 150.992 -4.028 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 70 150.102 -5.535 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 70 151.997 -6.839 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 70 153.001 -5.688 -4.489 1.00 0.00 H new ATOM 0 HE ARG A 70 152.335 -4.452 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 70 154.018 -7.359 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 70 155.100 -7.399 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 70 153.730 -4.514 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 70 154.938 -5.797 -0.127 1.00 0.00 H new ATOM 1175 N ALA A 71 150.689 -1.870 -4.451 1.00 0.00 N ATOM 1176 CA ALA A 71 151.386 -0.753 -3.831 1.00 0.00 C ATOM 1177 C ALA A 71 151.646 -1.030 -2.363 1.00 0.00 C ATOM 1178 O ALA A 71 150.966 -1.857 -1.754 1.00 0.00 O ATOM 1179 CB ALA A 71 150.589 0.532 -4.001 1.00 0.00 C ATOM 0 H ALA A 71 149.863 -2.192 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 71 152.348 -0.631 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 71 151.125 1.357 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 71 150.458 0.741 -5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.612 0.419 -3.531 1.00 0.00 H new ATOM 1185 N ASP A 72 152.631 -0.346 -1.787 1.00 0.00 N ATOM 1186 CA ASP A 72 152.943 -0.559 -0.382 1.00 0.00 C ATOM 1187 C ASP A 72 153.134 0.764 0.346 1.00 0.00 C ATOM 1188 O ASP A 72 153.889 1.628 -0.099 1.00 0.00 O ATOM 1189 CB ASP A 72 154.198 -1.422 -0.238 1.00 0.00 C ATOM 1190 CG ASP A 72 154.313 -2.048 1.138 1.00 0.00 C ATOM 1191 OD1 ASP A 72 154.078 -1.334 2.136 1.00 0.00 O ATOM 1192 OD2 ASP A 72 154.639 -3.251 1.218 1.00 0.00 O ATOM 0 H ASP A 72 153.213 0.345 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 72 152.100 -1.080 0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.183 -2.209 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 72 155.080 -0.811 -0.431 1.00 0.00 H new ATOM 1197 N ILE A 73 152.448 0.910 1.472 1.00 0.00 N ATOM 1198 CA ILE A 73 152.543 2.122 2.271 1.00 0.00 C ATOM 1199 C ILE A 73 153.073 1.807 3.662 1.00 0.00 C ATOM 1200 O ILE A 73 152.803 0.743 4.217 1.00 0.00 O ATOM 1201 CB ILE A 73 151.180 2.828 2.399 1.00 0.00 C ATOM 1202 CG1 ILE A 73 150.535 2.986 1.016 1.00 0.00 C ATOM 1203 CG2 ILE A 73 151.354 4.180 3.083 1.00 0.00 C ATOM 1204 CD1 ILE A 73 149.405 3.995 0.973 1.00 0.00 C ATOM 0 H ILE A 73 151.819 0.202 1.852 1.00 0.00 H new ATOM 0 HA ILE A 73 153.234 2.790 1.757 1.00 0.00 H new ATOM 0 HB ILE A 73 150.517 2.219 3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 73 151.302 3.284 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 73 150.156 2.017 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 73 150.385 4.672 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 73 151.776 4.033 4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 73 152.026 4.803 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 73 149.003 4.048 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 73 148.617 3.689 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 73 149.781 4.975 1.265 1.00 0.00 H new ATOM 1216 N SER A 74 153.831 2.741 4.222 1.00 0.00 N ATOM 1217 CA SER A 74 154.401 2.565 5.550 1.00 0.00 C ATOM 1218 C SER A 74 154.430 3.891 6.293 1.00 0.00 C ATOM 1219 O SER A 74 154.812 4.917 5.732 1.00 0.00 O ATOM 1220 CB SER A 74 155.815 1.989 5.450 1.00 0.00 C ATOM 1221 OG SER A 74 156.645 2.808 4.647 1.00 0.00 O ATOM 0 H SER A 74 154.065 3.628 3.776 1.00 0.00 H new ATOM 0 HA SER A 74 153.775 1.866 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 74 156.245 1.898 6.447 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.773 0.985 5.028 1.00 0.00 H new ATOM 0 HG SER A 74 157.543 2.418 4.601 1.00 0.00 H new ATOM 1227 N GLU A 75 154.021 3.869 7.557 1.00 0.00 N ATOM 1228 CA GLU A 75 154.004 5.078 8.367 1.00 0.00 C ATOM 1229 C GLU A 75 154.608 4.810 9.740 1.00 0.00 C ATOM 1230 O GLU A 75 153.912 4.852 10.755 1.00 0.00 O ATOM 1231 CB GLU A 75 152.574 5.603 8.506 1.00 0.00 C ATOM 1232 CG GLU A 75 151.907 5.896 7.169 1.00 0.00 C ATOM 1233 CD GLU A 75 152.477 7.123 6.486 1.00 0.00 C ATOM 1234 OE1 GLU A 75 153.652 7.079 6.068 1.00 0.00 O ATOM 1235 OE2 GLU A 75 151.746 8.129 6.370 1.00 0.00 O ATOM 0 H GLU A 75 153.698 3.030 8.040 1.00 0.00 H new ATOM 0 HA GLU A 75 154.607 5.837 7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 75 151.977 4.871 9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 75 152.585 6.513 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 75 152.023 5.033 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 75 150.837 6.036 7.325 1.00 0.00 H new ATOM 1242 N ASP A 76 155.908 4.521 9.755 1.00 0.00 N ATOM 1243 CA ASP A 76 156.622 4.231 10.986 1.00 0.00 C ATOM 1244 C ASP A 76 156.979 5.510 11.738 1.00 0.00 C ATOM 1245 O ASP A 76 156.579 6.606 11.349 1.00 0.00 O ATOM 1246 CB ASP A 76 157.892 3.432 10.684 1.00 0.00 C ATOM 1247 CG ASP A 76 157.706 1.945 10.917 1.00 0.00 C ATOM 1248 OD1 ASP A 76 157.195 1.260 10.006 1.00 0.00 O ATOM 1249 OD2 ASP A 76 158.069 1.466 12.010 1.00 0.00 O ATOM 0 H ASP A 76 156.488 4.483 8.917 1.00 0.00 H new ATOM 0 HA ASP A 76 155.964 3.638 11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 76 158.187 3.601 9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 76 158.706 3.797 11.311 1.00 0.00 H new ATOM 1342 N ARG A 82 157.812 6.808 7.088 1.00 0.00 N ATOM 1343 CA ARG A 82 156.526 7.318 6.628 1.00 0.00 C ATOM 1344 C ARG A 82 156.594 7.699 5.155 1.00 0.00 C ATOM 1345 O ARG A 82 157.240 8.682 4.789 1.00 0.00 O ATOM 1346 CB ARG A 82 156.099 8.526 7.467 1.00 0.00 C ATOM 1347 CG ARG A 82 155.096 8.182 8.558 1.00 0.00 C ATOM 1348 CD ARG A 82 154.835 9.372 9.470 1.00 0.00 C ATOM 1349 NE ARG A 82 153.456 9.398 9.950 1.00 0.00 N ATOM 1350 CZ ARG A 82 152.863 10.483 10.446 1.00 0.00 C ATOM 1351 NH1 ARG A 82 153.522 11.632 10.526 1.00 0.00 N ATOM 1352 NH2 ARG A 82 151.605 10.419 10.861 1.00 0.00 N ATOM 0 HA ARG A 82 155.784 6.529 6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 82 156.983 8.972 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 82 155.665 9.280 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 82 154.160 7.858 8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 82 155.471 7.345 9.148 1.00 0.00 H new ATOM 0 HD2 ARG A 82 155.515 9.333 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 82 155.050 10.295 8.932 1.00 0.00 H new ATOM 0 HE ARG A 82 152.915 8.535 9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 82 154.489 11.689 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 82 153.061 12.459 10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 82 151.092 9.539 10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 82 151.150 11.249 11.241 1.00 0.00 H new ATOM 1366 N LYS A 83 155.927 6.915 4.307 1.00 0.00 N ATOM 1367 CA LYS A 83 155.926 7.181 2.871 1.00 0.00 C ATOM 1368 C LYS A 83 155.297 6.044 2.066 1.00 0.00 C ATOM 1369 O LYS A 83 155.588 4.869 2.291 1.00 0.00 O ATOM 1370 CB LYS A 83 157.355 7.430 2.363 1.00 0.00 C ATOM 1371 CG LYS A 83 158.419 6.591 3.062 1.00 0.00 C ATOM 1372 CD LYS A 83 159.044 5.571 2.121 1.00 0.00 C ATOM 1373 CE LYS A 83 160.541 5.440 2.351 1.00 0.00 C ATOM 1374 NZ LYS A 83 160.875 4.243 3.172 1.00 0.00 N ATOM 0 H LYS A 83 155.385 6.098 4.588 1.00 0.00 H new ATOM 0 HA LYS A 83 155.319 8.074 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 83 157.390 7.224 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 83 157.596 8.485 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 83 159.196 7.245 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 83 157.974 6.075 3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 83 158.567 4.602 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 83 158.859 5.866 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 83 161.051 5.375 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 83 160.911 6.336 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 161.905 4.190 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 160.409 4.317 4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 160.545 3.385 2.686 1.00 0.00 H new ATOM 1388 N LEU A 84 154.461 6.421 1.100 1.00 0.00 N ATOM 1389 CA LEU A 84 153.810 5.459 0.211 1.00 0.00 C ATOM 1390 C LEU A 84 154.550 5.463 -1.122 1.00 0.00 C ATOM 1391 O LEU A 84 154.959 6.523 -1.597 1.00 0.00 O ATOM 1392 CB LEU A 84 152.329 5.804 0.007 1.00 0.00 C ATOM 1393 CG LEU A 84 151.933 7.243 0.347 1.00 0.00 C ATOM 1394 CD1 LEU A 84 150.627 7.615 -0.337 1.00 0.00 C ATOM 1395 CD2 LEU A 84 151.818 7.422 1.853 1.00 0.00 C ATOM 0 H LEU A 84 154.217 7.393 0.912 1.00 0.00 H new ATOM 0 HA LEU A 84 153.849 4.466 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 84 152.069 5.611 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 84 151.729 5.127 0.616 1.00 0.00 H new ATOM 0 HG LEU A 84 152.713 7.910 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 84 150.363 8.641 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 84 150.744 7.527 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 84 149.837 6.943 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 84 151.536 8.451 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 84 151.058 6.744 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 84 152.777 7.199 2.320 1.00 0.00 H new ATOM 1407 N LEU A 85 154.783 4.287 -1.702 1.00 0.00 N ATOM 1408 CA LEU A 85 155.545 4.223 -2.944 1.00 0.00 C ATOM 1409 C LEU A 85 155.184 3.023 -3.823 1.00 0.00 C ATOM 1410 O LEU A 85 154.530 3.184 -4.853 1.00 0.00 O ATOM 1411 CB LEU A 85 157.037 4.175 -2.606 1.00 0.00 C ATOM 1412 CG LEU A 85 157.378 3.467 -1.289 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.843 3.063 -1.266 1.00 0.00 C ATOM 1414 CD2 LEU A 85 157.064 4.361 -0.100 1.00 0.00 C ATOM 0 H LEU A 85 154.464 3.388 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 85 155.295 5.114 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 85 157.563 3.673 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 85 157.418 5.195 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 85 156.765 2.569 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 85 159.068 2.562 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 85 159.047 2.385 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.467 3.952 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 85 157.313 3.839 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 85 157.650 5.277 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 85 156.003 4.609 -0.101 1.00 0.00 H new ATOM 1426 N ARG A 86 155.648 1.829 -3.425 1.00 0.00 N ATOM 1427 CA ARG A 86 155.423 0.593 -4.180 1.00 0.00 C ATOM 1428 C ARG A 86 154.249 0.708 -5.143 1.00 0.00 C ATOM 1429 O ARG A 86 153.156 1.121 -4.757 1.00 0.00 O ATOM 1430 CB ARG A 86 155.219 -0.584 -3.224 1.00 0.00 C ATOM 1431 CG ARG A 86 156.457 -1.453 -3.067 1.00 0.00 C ATOM 1432 CD ARG A 86 156.100 -2.926 -2.955 1.00 0.00 C ATOM 1433 NE ARG A 86 157.019 -3.644 -2.075 1.00 0.00 N ATOM 1434 CZ ARG A 86 157.233 -4.956 -2.134 1.00 0.00 C ATOM 1435 NH1 ARG A 86 156.590 -5.705 -3.022 1.00 0.00 N ATOM 1436 NH2 ARG A 86 158.092 -5.524 -1.299 1.00 0.00 N ATOM 0 H ARG A 86 156.189 1.696 -2.571 1.00 0.00 H new ATOM 0 HA ARG A 86 156.314 0.416 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 86 154.925 -0.202 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 86 154.395 -1.199 -3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 86 157.118 -1.303 -3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 86 157.008 -1.144 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 86 155.083 -3.025 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 86 156.117 -3.380 -3.946 1.00 0.00 H new ATOM 0 HE ARG A 86 157.528 -3.107 -1.373 1.00 0.00 H new ATOM 0 HH11 ARG A 86 155.926 -5.275 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 86 156.760 -6.710 -3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 86 158.588 -4.955 -0.613 1.00 0.00 H new ATOM 0 HH22 ARG A 86 158.257 -6.530 -1.343 1.00 0.00 H new ATOM 1450 N PHE A 87 154.502 0.353 -6.402 1.00 0.00 N ATOM 1451 CA PHE A 87 153.489 0.421 -7.450 1.00 0.00 C ATOM 1452 C PHE A 87 153.682 -0.711 -8.459 1.00 0.00 C ATOM 1453 O PHE A 87 153.654 -0.492 -9.670 1.00 0.00 O ATOM 1454 CB PHE A 87 153.566 1.776 -8.160 1.00 0.00 C ATOM 1455 CG PHE A 87 152.278 2.547 -8.137 1.00 0.00 C ATOM 1456 CD1 PHE A 87 151.732 2.974 -6.939 1.00 0.00 C ATOM 1457 CD2 PHE A 87 151.618 2.850 -9.318 1.00 0.00 C ATOM 1458 CE1 PHE A 87 150.550 3.688 -6.917 1.00 0.00 C ATOM 1459 CE2 PHE A 87 150.436 3.565 -9.302 1.00 0.00 C ATOM 1460 CZ PHE A 87 149.902 3.985 -8.100 1.00 0.00 C ATOM 0 H PHE A 87 155.409 0.013 -6.721 1.00 0.00 H new ATOM 0 HA PHE A 87 152.506 0.311 -6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 87 154.346 2.377 -7.693 1.00 0.00 H new ATOM 0 HB3 PHE A 87 153.864 1.616 -9.196 1.00 0.00 H new ATOM 0 HD1 PHE A 87 152.236 2.746 -6.011 1.00 0.00 H new ATOM 0 HD2 PHE A 87 152.032 2.524 -10.260 1.00 0.00 H new ATOM 0 HE1 PHE A 87 150.133 4.014 -5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 87 149.930 3.795 -10.228 1.00 0.00 H new ATOM 0 HZ PHE A 87 148.979 4.545 -8.085 1.00 0.00 H new ATOM 1470 N ASN A 88 153.879 -1.923 -7.950 1.00 0.00 N ATOM 1471 CA ASN A 88 154.077 -3.089 -8.801 1.00 0.00 C ATOM 1472 C ASN A 88 153.625 -4.362 -8.093 1.00 0.00 C ATOM 1473 O ASN A 88 153.939 -4.576 -6.923 1.00 0.00 O ATOM 1474 CB ASN A 88 155.548 -3.212 -9.201 1.00 0.00 C ATOM 1475 CG ASN A 88 155.731 -3.954 -10.510 1.00 0.00 C ATOM 1476 OD1 ASN A 88 155.905 -5.172 -10.527 1.00 0.00 O ATOM 1477 ND2 ASN A 88 155.695 -3.219 -11.615 1.00 0.00 N ATOM 0 H ASN A 88 153.906 -2.123 -6.950 1.00 0.00 H new ATOM 0 HA ASN A 88 153.473 -2.958 -9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 88 155.983 -2.216 -9.287 1.00 0.00 H new ATOM 0 HB3 ASN A 88 156.094 -3.731 -8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 88 155.814 -3.662 -12.526 1.00 0.00 H new ATOM 0 HD22 ASN A 88 155.548 -2.212 -11.553 1.00 0.00 H new