USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=20 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 43 LYS NZ :NH3+ -109:sc= 0.615 (180deg=-2.21!) USER MOD Set 1.2: A 45 THR OG1 : rot -30:sc= 1.56 USER MOD Set 2.1: A 35 ASN :FLIP amide:sc= 0.884 F(o=-3.2,f=1) USER MOD Set 2.2: A 65 SER OG : rot -113:sc= 0.119 USER MOD Single : A 12 THR OG1 : rot 68:sc= 0.864 USER MOD Single : A 13 GLN : amide:sc=-0.00208 X(o=-0.0021,f=-0.00053) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.254 F(o=-1.3,f=-0.25) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.118) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 120:sc= 0.0662 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -155:sc= 0.193 (180deg=0.0166) USER MOD Single : A 41 CYS SG : rot 132:sc= -3.95! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.51) USER MOD Single : A 54 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.394) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 29:sc= 0.29 USER MOD Single : A 59 GLN : amide:sc= -0.133 X(o=-0.13,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 67 LYS NZ :NH3+ -148:sc= -0.369 (180deg=-1.65!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= -0.195 (180deg=-0.937) USER MOD Single : A 88 ASN : amide:sc= -0.988 K(o=-0.99,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 147.382 -6.939 10.574 1.00 0.00 N ATOM 50 CA GLU A 4 146.025 -6.560 10.953 1.00 0.00 C ATOM 51 C GLU A 4 145.126 -6.451 9.724 1.00 0.00 C ATOM 52 O GLU A 4 144.494 -5.420 9.493 1.00 0.00 O ATOM 53 CB GLU A 4 146.036 -5.233 11.715 1.00 0.00 C ATOM 54 CG GLU A 4 144.917 -5.108 12.735 1.00 0.00 C ATOM 55 CD GLU A 4 144.900 -6.255 13.728 1.00 0.00 C ATOM 56 OE1 GLU A 4 145.993 -6.723 14.111 1.00 0.00 O ATOM 57 OE2 GLU A 4 143.796 -6.687 14.117 1.00 0.00 O ATOM 0 HA GLU A 4 145.625 -7.338 11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 4 146.994 -5.124 12.224 1.00 0.00 H new ATOM 0 HB3 GLU A 4 145.959 -4.413 11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 4 145.026 -4.167 13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 4 143.960 -5.068 12.215 1.00 0.00 H new ATOM 64 N ILE A 5 145.075 -7.521 8.939 1.00 0.00 N ATOM 65 CA ILE A 5 144.267 -7.558 7.744 1.00 0.00 C ATOM 66 C ILE A 5 142.919 -8.214 8.024 1.00 0.00 C ATOM 67 O ILE A 5 142.841 -9.176 8.788 1.00 0.00 O ATOM 68 CB ILE A 5 144.973 -8.314 6.610 1.00 0.00 C ATOM 69 CG1 ILE A 5 146.483 -8.062 6.658 1.00 0.00 C ATOM 70 CG2 ILE A 5 144.373 -7.916 5.275 1.00 0.00 C ATOM 71 CD1 ILE A 5 147.224 -8.987 7.599 1.00 0.00 C ATOM 0 H ILE A 5 145.594 -8.380 9.119 1.00 0.00 H new ATOM 0 HA ILE A 5 144.111 -6.526 7.430 1.00 0.00 H new ATOM 0 HB ILE A 5 144.821 -9.386 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 5 146.893 -8.174 5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 5 146.661 -7.030 6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 5 144.878 -8.456 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 5 143.311 -8.162 5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 5 144.498 -6.844 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 5 148.288 -8.749 7.580 1.00 0.00 H new ATOM 0 HD12 ILE A 5 146.841 -8.859 8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 5 147.077 -10.020 7.284 1.00 0.00 H new ATOM 83 N ILE A 6 141.856 -7.698 7.414 1.00 0.00 N ATOM 84 CA ILE A 6 140.523 -8.256 7.627 1.00 0.00 C ATOM 85 C ILE A 6 139.558 -7.886 6.504 1.00 0.00 C ATOM 86 O ILE A 6 139.199 -8.726 5.680 1.00 0.00 O ATOM 87 CB ILE A 6 139.920 -7.801 8.977 1.00 0.00 C ATOM 88 CG1 ILE A 6 140.462 -6.429 9.387 1.00 0.00 C ATOM 89 CG2 ILE A 6 140.212 -8.832 10.058 1.00 0.00 C ATOM 90 CD1 ILE A 6 139.411 -5.516 9.981 1.00 0.00 C ATOM 0 H ILE A 6 141.889 -6.903 6.775 1.00 0.00 H new ATOM 0 HA ILE A 6 140.652 -9.338 7.638 1.00 0.00 H new ATOM 0 HB ILE A 6 138.840 -7.714 8.855 1.00 0.00 H new ATOM 0 HG12 ILE A 6 141.264 -6.566 10.112 1.00 0.00 H new ATOM 0 HG13 ILE A 6 140.901 -5.945 8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 6 139.782 -8.500 11.003 1.00 0.00 H new ATOM 0 HG22 ILE A 6 139.773 -9.789 9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 6 141.290 -8.946 10.170 1.00 0.00 H new ATOM 0 HD11 ILE A 6 139.866 -4.562 10.248 1.00 0.00 H new ATOM 0 HD12 ILE A 6 138.620 -5.348 9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 6 138.989 -5.979 10.873 1.00 0.00 H new ATOM 102 N GLU A 7 139.123 -6.629 6.487 1.00 0.00 N ATOM 103 CA GLU A 7 138.182 -6.162 5.473 1.00 0.00 C ATOM 104 C GLU A 7 138.790 -6.201 4.078 1.00 0.00 C ATOM 105 O GLU A 7 140.003 -6.334 3.917 1.00 0.00 O ATOM 106 CB GLU A 7 137.712 -4.741 5.786 1.00 0.00 C ATOM 107 CG GLU A 7 137.467 -4.489 7.265 1.00 0.00 C ATOM 108 CD GLU A 7 136.390 -3.451 7.509 1.00 0.00 C ATOM 109 OE1 GLU A 7 135.231 -3.696 7.113 1.00 0.00 O ATOM 110 OE2 GLU A 7 136.705 -2.393 8.093 1.00 0.00 O ATOM 0 H GLU A 7 139.406 -5.918 7.161 1.00 0.00 H new ATOM 0 HA GLU A 7 137.328 -6.839 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 7 138.458 -4.033 5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 7 136.792 -4.543 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 7 137.181 -5.424 7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 7 138.395 -4.161 7.732 1.00 0.00 H new ATOM 117 N ILE A 8 137.929 -6.081 3.073 1.00 0.00 N ATOM 118 CA ILE A 8 138.361 -6.097 1.678 1.00 0.00 C ATOM 119 C ILE A 8 137.510 -5.165 0.815 1.00 0.00 C ATOM 120 O ILE A 8 137.557 -5.235 -0.413 1.00 0.00 O ATOM 121 CB ILE A 8 138.294 -7.519 1.084 1.00 0.00 C ATOM 122 CG1 ILE A 8 138.905 -8.537 2.050 1.00 0.00 C ATOM 123 CG2 ILE A 8 139.005 -7.563 -0.260 1.00 0.00 C ATOM 124 CD1 ILE A 8 137.905 -9.121 3.023 1.00 0.00 C ATOM 0 H ILE A 8 136.923 -5.971 3.199 1.00 0.00 H new ATOM 0 HA ILE A 8 139.394 -5.750 1.671 1.00 0.00 H new ATOM 0 HB ILE A 8 137.247 -7.781 0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 8 139.356 -9.346 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 8 139.708 -8.058 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 8 138.950 -8.572 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 8 138.526 -6.867 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 8 140.050 -7.281 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 8 138.407 -9.834 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 8 137.472 -8.321 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 8 137.114 -9.629 2.471 1.00 0.00 H new ATOM 136 N GLY A 9 136.733 -4.294 1.456 1.00 0.00 N ATOM 137 CA GLY A 9 135.891 -3.369 0.719 1.00 0.00 C ATOM 138 C GLY A 9 136.522 -1.995 0.596 1.00 0.00 C ATOM 139 O GLY A 9 137.432 -1.801 -0.211 1.00 0.00 O ATOM 0 H GLY A 9 136.672 -4.213 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.699 -3.769 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.926 -3.281 1.219 1.00 0.00 H new ATOM 143 N PRO A 10 136.075 -1.012 1.397 1.00 0.00 N ATOM 144 CA PRO A 10 136.635 0.341 1.364 1.00 0.00 C ATOM 145 C PRO A 10 138.119 0.330 1.702 1.00 0.00 C ATOM 146 O PRO A 10 138.894 1.139 1.190 1.00 0.00 O ATOM 147 CB PRO A 10 135.840 1.095 2.437 1.00 0.00 C ATOM 148 CG PRO A 10 135.252 0.034 3.305 1.00 0.00 C ATOM 149 CD PRO A 10 135.011 -1.145 2.406 1.00 0.00 C ATOM 0 HA PRO A 10 136.557 0.800 0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 10 136.485 1.760 3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 10 135.062 1.713 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 10 135.930 -0.226 4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 10 134.322 0.374 3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 10 135.084 -2.088 2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 10 134.020 -1.113 1.954 1.00 0.00 H new ATOM 157 N PHE A 11 138.503 -0.606 2.563 1.00 0.00 N ATOM 158 CA PHE A 11 139.886 -0.760 2.983 1.00 0.00 C ATOM 159 C PHE A 11 140.808 -0.901 1.771 1.00 0.00 C ATOM 160 O PHE A 11 141.987 -0.550 1.831 1.00 0.00 O ATOM 161 CB PHE A 11 140.001 -1.989 3.897 1.00 0.00 C ATOM 162 CG PHE A 11 141.407 -2.379 4.267 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.272 -2.900 3.318 1.00 0.00 C ATOM 164 CD2 PHE A 11 141.855 -2.239 5.570 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.557 -3.273 3.662 1.00 0.00 C ATOM 166 CE2 PHE A 11 143.140 -2.609 5.919 1.00 0.00 C ATOM 167 CZ PHE A 11 143.990 -3.128 4.963 1.00 0.00 C ATOM 0 H PHE A 11 137.863 -1.277 2.988 1.00 0.00 H new ATOM 0 HA PHE A 11 140.195 0.129 3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.441 -1.796 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.523 -2.836 3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 11 141.938 -3.016 2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 11 141.193 -1.836 6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 11 144.221 -3.678 2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.479 -2.492 6.938 1.00 0.00 H new ATOM 0 HZ PHE A 11 144.994 -3.420 5.234 1.00 0.00 H new ATOM 177 N THR A 12 140.262 -1.421 0.675 1.00 0.00 N ATOM 178 CA THR A 12 141.031 -1.613 -0.549 1.00 0.00 C ATOM 179 C THR A 12 140.940 -0.386 -1.453 1.00 0.00 C ATOM 180 O THR A 12 141.932 0.307 -1.679 1.00 0.00 O ATOM 181 CB THR A 12 140.532 -2.854 -1.297 1.00 0.00 C ATOM 182 OG1 THR A 12 139.308 -3.312 -0.750 1.00 0.00 O ATOM 183 CG2 THR A 12 141.507 -4.010 -1.260 1.00 0.00 C ATOM 0 H THR A 12 139.288 -1.717 0.611 1.00 0.00 H new ATOM 0 HA THR A 12 142.076 -1.757 -0.273 1.00 0.00 H new ATOM 0 HB THR A 12 140.410 -2.534 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 12 138.602 -2.657 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 12 141.091 -4.855 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.448 -3.707 -1.720 1.00 0.00 H new ATOM 0 HG23 THR A 12 141.686 -4.302 -0.225 1.00 0.00 H new ATOM 191 N GLN A 13 139.739 -0.129 -1.972 1.00 0.00 N ATOM 192 CA GLN A 13 139.507 1.012 -2.858 1.00 0.00 C ATOM 193 C GLN A 13 140.240 2.258 -2.366 1.00 0.00 C ATOM 194 O GLN A 13 140.708 3.070 -3.164 1.00 0.00 O ATOM 195 CB GLN A 13 138.008 1.293 -2.967 1.00 0.00 C ATOM 196 CG GLN A 13 137.670 2.471 -3.866 1.00 0.00 C ATOM 197 CD GLN A 13 136.176 2.663 -4.036 1.00 0.00 C ATOM 198 OE1 GLN A 13 135.463 1.746 -4.444 1.00 0.00 O ATOM 199 NE2 GLN A 13 135.696 3.860 -3.724 1.00 0.00 N ATOM 0 H GLN A 13 138.911 -0.697 -1.794 1.00 0.00 H new ATOM 0 HA GLN A 13 139.900 0.759 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 13 137.507 0.402 -3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 13 137.610 1.482 -1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 13 138.104 3.379 -3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 13 138.127 2.320 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 13 136.325 4.590 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 13 134.698 4.050 -3.819 1.00 0.00 H new ATOM 208 N ASN A 14 140.342 2.397 -1.048 1.00 0.00 N ATOM 209 CA ASN A 14 141.024 3.537 -0.449 1.00 0.00 C ATOM 210 C ASN A 14 142.442 3.659 -0.984 1.00 0.00 C ATOM 211 O ASN A 14 142.800 4.670 -1.594 1.00 0.00 O ATOM 212 CB ASN A 14 141.053 3.390 1.075 1.00 0.00 C ATOM 213 CG ASN A 14 140.157 4.395 1.771 1.00 0.00 C ATOM 214 OD1 ASN A 14 138.935 4.362 1.622 1.00 0.00 O ATOM 215 ND2 ASN A 14 140.761 5.295 2.538 1.00 0.00 N ATOM 0 H ASN A 14 139.960 1.733 -0.374 1.00 0.00 H new ATOM 0 HA ASN A 14 140.476 4.442 -0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 14 140.741 2.381 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 14 142.076 3.513 1.430 1.00 0.00 H new ATOM 0 HD21 ASN A 14 140.209 5.996 3.033 1.00 0.00 H new ATOM 0 HD22 ASN A 14 141.777 5.285 2.633 1.00 0.00 H new ATOM 222 N LEU A 15 143.242 2.623 -0.765 1.00 0.00 N ATOM 223 CA LEU A 15 144.618 2.616 -1.241 1.00 0.00 C ATOM 224 C LEU A 15 144.662 3.017 -2.710 1.00 0.00 C ATOM 225 O LEU A 15 145.635 3.607 -3.174 1.00 0.00 O ATOM 226 CB LEU A 15 145.246 1.231 -1.053 1.00 0.00 C ATOM 227 CG LEU A 15 145.905 0.983 0.309 1.00 0.00 C ATOM 228 CD1 LEU A 15 146.757 2.171 0.726 1.00 0.00 C ATOM 229 CD2 LEU A 15 144.851 0.682 1.365 1.00 0.00 C ATOM 0 H LEU A 15 142.963 1.780 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 15 145.192 3.336 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 15 144.473 0.477 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.994 1.082 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 15 146.559 0.116 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 15 147.213 1.969 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 15 147.539 2.336 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 15 146.131 3.060 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 15 145.337 0.509 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 15 144.170 1.529 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 15 144.290 -0.207 1.076 1.00 0.00 H new ATOM 241 N GLY A 16 143.585 2.705 -3.429 1.00 0.00 N ATOM 242 CA GLY A 16 143.504 3.054 -4.832 1.00 0.00 C ATOM 243 C GLY A 16 143.573 4.552 -5.044 1.00 0.00 C ATOM 244 O GLY A 16 144.221 5.025 -5.979 1.00 0.00 O ATOM 0 H GLY A 16 142.769 2.216 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 16 144.318 2.572 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 16 142.573 2.670 -5.249 1.00 0.00 H new ATOM 248 N LYS A 17 142.912 5.305 -4.166 1.00 0.00 N ATOM 249 CA LYS A 17 142.916 6.759 -4.262 1.00 0.00 C ATOM 250 C LYS A 17 144.334 7.296 -4.084 1.00 0.00 C ATOM 251 O LYS A 17 144.877 7.958 -4.970 1.00 0.00 O ATOM 252 CB LYS A 17 141.985 7.365 -3.209 1.00 0.00 C ATOM 253 CG LYS A 17 140.794 8.098 -3.803 1.00 0.00 C ATOM 254 CD LYS A 17 140.013 8.848 -2.737 1.00 0.00 C ATOM 255 CE LYS A 17 138.516 8.786 -2.995 1.00 0.00 C ATOM 256 NZ LYS A 17 137.792 9.909 -2.336 1.00 0.00 N ATOM 0 H LYS A 17 142.371 4.933 -3.386 1.00 0.00 H new ATOM 0 HA LYS A 17 142.555 7.043 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 17 141.624 6.571 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 17 142.554 8.056 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 17 141.139 8.799 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 17 140.138 7.384 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 17 140.232 8.423 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 17 140.336 9.889 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 17 138.331 8.815 -4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 17 138.124 7.837 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 136.774 9.831 -2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.947 9.867 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.148 10.815 -2.703 1.00 0.00 H new ATOM 270 N PHE A 18 144.930 6.994 -2.934 1.00 0.00 N ATOM 271 CA PHE A 18 146.290 7.436 -2.641 1.00 0.00 C ATOM 272 C PHE A 18 147.308 6.688 -3.497 1.00 0.00 C ATOM 273 O PHE A 18 148.483 7.049 -3.536 1.00 0.00 O ATOM 274 CB PHE A 18 146.607 7.234 -1.159 1.00 0.00 C ATOM 275 CG PHE A 18 145.558 7.785 -0.237 1.00 0.00 C ATOM 276 CD1 PHE A 18 145.592 9.113 0.156 1.00 0.00 C ATOM 277 CD2 PHE A 18 144.541 6.975 0.239 1.00 0.00 C ATOM 278 CE1 PHE A 18 144.628 9.623 1.004 1.00 0.00 C ATOM 279 CE2 PHE A 18 143.574 7.479 1.088 1.00 0.00 C ATOM 280 CZ PHE A 18 143.618 8.806 1.471 1.00 0.00 C ATOM 0 H PHE A 18 144.494 6.447 -2.192 1.00 0.00 H new ATOM 0 HA PHE A 18 146.356 8.498 -2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 18 146.726 6.168 -0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 18 147.562 7.708 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 18 146.381 9.757 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 18 144.503 5.937 -0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 18 144.665 10.661 1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 18 142.785 6.837 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 18 142.864 9.203 2.134 1.00 0.00 H new ATOM 290 N ALA A 19 146.852 5.645 -4.180 1.00 0.00 N ATOM 291 CA ALA A 19 147.724 4.849 -5.033 1.00 0.00 C ATOM 292 C ALA A 19 148.216 5.661 -6.224 1.00 0.00 C ATOM 293 O ALA A 19 149.378 6.062 -6.278 1.00 0.00 O ATOM 294 CB ALA A 19 146.992 3.602 -5.508 1.00 0.00 C ATOM 0 H ALA A 19 145.882 5.331 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 19 148.594 4.550 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 19 147.652 3.013 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 19 146.692 3.006 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 19 146.107 3.893 -6.073 1.00 0.00 H new ATOM 300 N VAL A 20 147.325 5.894 -7.182 1.00 0.00 N ATOM 301 CA VAL A 20 147.667 6.657 -8.376 1.00 0.00 C ATOM 302 C VAL A 20 148.175 8.050 -8.018 1.00 0.00 C ATOM 303 O VAL A 20 149.050 8.594 -8.692 1.00 0.00 O ATOM 304 CB VAL A 20 146.456 6.786 -9.323 1.00 0.00 C ATOM 305 CG1 VAL A 20 145.324 7.545 -8.647 1.00 0.00 C ATOM 306 CG2 VAL A 20 146.863 7.464 -10.623 1.00 0.00 C ATOM 0 H VAL A 20 146.360 5.565 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 20 148.461 6.110 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 20 146.097 5.784 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 20 144.480 7.625 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 20 145.013 7.011 -7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 20 145.667 8.543 -8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 20 145.995 7.546 -11.278 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.251 8.460 -10.408 1.00 0.00 H new ATOM 0 HG23 VAL A 20 147.635 6.873 -11.116 1.00 0.00 H new ATOM 316 N ASP A 21 147.620 8.627 -6.956 1.00 0.00 N ATOM 317 CA ASP A 21 148.021 9.960 -6.517 1.00 0.00 C ATOM 318 C ASP A 21 149.468 9.973 -6.036 1.00 0.00 C ATOM 319 O ASP A 21 150.162 10.983 -6.163 1.00 0.00 O ATOM 320 CB ASP A 21 147.095 10.454 -5.404 1.00 0.00 C ATOM 321 CG ASP A 21 145.734 10.869 -5.928 1.00 0.00 C ATOM 322 OD1 ASP A 21 145.685 11.623 -6.923 1.00 0.00 O ATOM 323 OD2 ASP A 21 144.717 10.442 -5.344 1.00 0.00 O ATOM 0 H ASP A 21 146.894 8.194 -6.385 1.00 0.00 H new ATOM 0 HA ASP A 21 147.942 10.631 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 21 146.971 9.666 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 21 147.560 11.300 -4.897 1.00 0.00 H new ATOM 328 N GLU A 22 149.923 8.853 -5.482 1.00 0.00 N ATOM 329 CA GLU A 22 151.293 8.759 -4.989 1.00 0.00 C ATOM 330 C GLU A 22 152.168 7.932 -5.927 1.00 0.00 C ATOM 331 O GLU A 22 153.385 7.864 -5.750 1.00 0.00 O ATOM 332 CB GLU A 22 151.319 8.165 -3.580 1.00 0.00 C ATOM 333 CG GLU A 22 152.227 8.922 -2.625 1.00 0.00 C ATOM 334 CD GLU A 22 151.562 9.215 -1.296 1.00 0.00 C ATOM 335 OE1 GLU A 22 150.435 9.750 -1.300 1.00 0.00 O ATOM 336 OE2 GLU A 22 152.171 8.909 -0.247 1.00 0.00 O ATOM 0 H GLU A 22 149.369 8.005 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 22 151.700 9.770 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 22 150.306 8.157 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 22 151.647 7.127 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 22 153.133 8.340 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 22 152.534 9.860 -3.088 1.00 0.00 H new ATOM 343 N GLU A 23 151.553 7.311 -6.933 1.00 0.00 N ATOM 344 CA GLU A 23 152.294 6.505 -7.899 1.00 0.00 C ATOM 345 C GLU A 23 153.453 7.306 -8.483 1.00 0.00 C ATOM 346 O GLU A 23 154.461 6.743 -8.910 1.00 0.00 O ATOM 347 CB GLU A 23 151.363 6.039 -9.024 1.00 0.00 C ATOM 348 CG GLU A 23 152.085 5.340 -10.167 1.00 0.00 C ATOM 349 CD GLU A 23 151.144 4.913 -11.277 1.00 0.00 C ATOM 350 OE1 GLU A 23 150.301 5.736 -11.689 1.00 0.00 O ATOM 351 OE2 GLU A 23 151.251 3.756 -11.733 1.00 0.00 O ATOM 0 H GLU A 23 150.547 7.351 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 23 152.695 5.632 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.617 5.361 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 23 150.825 6.901 -9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 23 152.843 6.008 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 23 152.607 4.464 -9.781 1.00 0.00 H new ATOM 358 N ASN A 24 153.296 8.625 -8.497 1.00 0.00 N ATOM 359 CA ASN A 24 154.316 9.519 -9.024 1.00 0.00 C ATOM 360 C ASN A 24 155.533 9.592 -8.098 1.00 0.00 C ATOM 361 O ASN A 24 156.554 10.179 -8.455 1.00 0.00 O ATOM 362 CB ASN A 24 153.723 10.914 -9.225 1.00 0.00 C ATOM 363 CG ASN A 24 153.038 11.058 -10.570 1.00 0.00 C ATOM 364 OD1 ASN A 24 152.105 10.156 -10.857 1.00 0.00 O flip ATOM 365 ND2 ASN A 24 153.341 11.969 -11.341 1.00 0.00 N flip ATOM 0 H ASN A 24 152.464 9.100 -8.146 1.00 0.00 H new ATOM 0 HA ASN A 24 154.653 9.123 -9.982 1.00 0.00 H new ATOM 0 HB2 ASN A 24 153.006 11.120 -8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 24 154.514 11.659 -9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 24 154.064 12.639 -11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 24 152.869 12.053 -12.241 1.00 0.00 H new ATOM 372 N LYS A 25 155.423 8.992 -6.912 1.00 0.00 N ATOM 373 CA LYS A 25 156.521 8.999 -5.951 1.00 0.00 C ATOM 374 C LYS A 25 157.574 7.947 -6.315 1.00 0.00 C ATOM 375 O LYS A 25 158.539 8.250 -7.017 1.00 0.00 O ATOM 376 CB LYS A 25 155.986 8.760 -4.535 1.00 0.00 C ATOM 377 CG LYS A 25 157.074 8.665 -3.477 1.00 0.00 C ATOM 378 CD LYS A 25 156.580 9.158 -2.125 1.00 0.00 C ATOM 379 CE LYS A 25 157.633 9.998 -1.417 1.00 0.00 C ATOM 380 NZ LYS A 25 158.235 9.281 -0.257 1.00 0.00 N ATOM 0 H LYS A 25 154.588 8.498 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 25 157.000 9.978 -5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 25 155.306 9.570 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 25 155.403 7.839 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 25 157.408 7.631 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 25 157.937 9.254 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 25 155.674 9.748 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 25 156.314 8.305 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 25 158.418 10.266 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 25 157.182 10.929 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 159.078 9.795 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 157.541 9.227 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 158.507 8.320 -0.546 1.00 0.00 H new ATOM 394 N ILE A 26 157.387 6.713 -5.840 1.00 0.00 N ATOM 395 CA ILE A 26 158.326 5.629 -6.123 1.00 0.00 C ATOM 396 C ILE A 26 158.720 5.594 -7.600 1.00 0.00 C ATOM 397 O ILE A 26 159.836 5.208 -7.944 1.00 0.00 O ATOM 398 CB ILE A 26 157.731 4.263 -5.728 1.00 0.00 C ATOM 399 CG1 ILE A 26 158.780 3.160 -5.869 1.00 0.00 C ATOM 400 CG2 ILE A 26 156.504 3.946 -6.574 1.00 0.00 C ATOM 401 CD1 ILE A 26 159.894 3.251 -4.849 1.00 0.00 C ATOM 0 H ILE A 26 156.594 6.442 -5.258 1.00 0.00 H new ATOM 0 HA ILE A 26 159.217 5.823 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 26 157.423 4.313 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 26 158.291 2.190 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 26 159.210 3.205 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 26 156.099 2.978 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 26 155.748 4.717 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 26 156.786 3.916 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 26 160.601 2.437 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 26 160.409 4.206 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 26 159.475 3.176 -3.845 1.00 0.00 H new ATOM 413 N GLY A 27 157.793 5.993 -8.465 1.00 0.00 N ATOM 414 CA GLY A 27 158.062 5.993 -9.891 1.00 0.00 C ATOM 415 C GLY A 27 158.448 7.362 -10.412 1.00 0.00 C ATOM 416 O GLY A 27 158.307 8.364 -9.712 1.00 0.00 O ATOM 0 H GLY A 27 156.861 6.316 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 27 158.865 5.287 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 27 157.178 5.642 -10.424 1.00 0.00 H new ATOM 420 N GLN A 28 158.940 7.405 -11.646 1.00 0.00 N ATOM 421 CA GLN A 28 159.349 8.660 -12.264 1.00 0.00 C ATOM 422 C GLN A 28 158.267 9.181 -13.205 1.00 0.00 C ATOM 423 O GLN A 28 158.087 10.390 -13.353 1.00 0.00 O ATOM 424 CB GLN A 28 160.663 8.471 -13.028 1.00 0.00 C ATOM 425 CG GLN A 28 161.821 9.268 -12.452 1.00 0.00 C ATOM 426 CD GLN A 28 162.060 10.569 -13.193 1.00 0.00 C ATOM 427 OE1 GLN A 28 161.123 11.311 -13.485 1.00 0.00 O ATOM 428 NE2 GLN A 28 163.320 10.853 -13.502 1.00 0.00 N ATOM 0 H GLN A 28 159.065 6.584 -12.238 1.00 0.00 H new ATOM 0 HA GLN A 28 159.500 9.395 -11.473 1.00 0.00 H new ATOM 0 HB2 GLN A 28 160.925 7.413 -13.027 1.00 0.00 H new ATOM 0 HB3 GLN A 28 160.514 8.762 -14.068 1.00 0.00 H new ATOM 0 HG2 GLN A 28 161.622 9.484 -11.402 1.00 0.00 H new ATOM 0 HG3 GLN A 28 162.727 8.663 -12.487 1.00 0.00 H new ATOM 0 HE21 GLN A 28 164.067 10.209 -13.241 1.00 0.00 H new ATOM 0 HE22 GLN A 28 163.541 11.715 -14.001 1.00 0.00 H new ATOM 437 N TYR A 29 157.547 8.260 -13.839 1.00 0.00 N ATOM 438 CA TYR A 29 156.481 8.624 -14.765 1.00 0.00 C ATOM 439 C TYR A 29 155.182 7.909 -14.405 1.00 0.00 C ATOM 440 O TYR A 29 155.046 6.703 -14.620 1.00 0.00 O ATOM 441 CB TYR A 29 156.886 8.286 -16.201 1.00 0.00 C ATOM 442 CG TYR A 29 157.241 9.499 -17.032 1.00 0.00 C ATOM 443 CD1 TYR A 29 156.402 10.606 -17.072 1.00 0.00 C ATOM 444 CD2 TYR A 29 158.414 9.537 -17.776 1.00 0.00 C ATOM 445 CE1 TYR A 29 156.722 11.716 -17.831 1.00 0.00 C ATOM 446 CE2 TYR A 29 158.740 10.645 -18.536 1.00 0.00 C ATOM 447 CZ TYR A 29 157.892 11.731 -18.560 1.00 0.00 C ATOM 448 OH TYR A 29 158.214 12.835 -19.316 1.00 0.00 O ATOM 0 H TYR A 29 157.683 7.255 -13.728 1.00 0.00 H new ATOM 0 HA TYR A 29 156.316 9.699 -14.688 1.00 0.00 H new ATOM 0 HB2 TYR A 29 157.740 7.609 -16.179 1.00 0.00 H new ATOM 0 HB3 TYR A 29 156.068 7.752 -16.684 1.00 0.00 H new ATOM 0 HD1 TYR A 29 155.485 10.599 -16.501 1.00 0.00 H new ATOM 0 HD2 TYR A 29 159.081 8.688 -17.760 1.00 0.00 H new ATOM 0 HE1 TYR A 29 156.058 12.568 -17.853 1.00 0.00 H new ATOM 0 HE2 TYR A 29 159.656 10.659 -19.109 1.00 0.00 H new ATOM 0 HH TYR A 29 159.071 12.684 -19.767 1.00 0.00 H new ATOM 458 N GLY A 30 154.230 8.658 -13.859 1.00 0.00 N ATOM 459 CA GLY A 30 152.955 8.077 -13.479 1.00 0.00 C ATOM 460 C GLY A 30 152.040 7.858 -14.667 1.00 0.00 C ATOM 461 O GLY A 30 152.268 8.406 -15.746 1.00 0.00 O ATOM 0 H GLY A 30 154.318 9.657 -13.673 1.00 0.00 H new ATOM 0 HA2 GLY A 30 153.128 7.125 -12.978 1.00 0.00 H new ATOM 0 HA3 GLY A 30 152.461 8.731 -12.760 1.00 0.00 H new ATOM 465 N ARG A 31 151.001 7.052 -14.469 1.00 0.00 N ATOM 466 CA ARG A 31 150.047 6.759 -15.531 1.00 0.00 C ATOM 467 C ARG A 31 148.688 6.378 -14.950 1.00 0.00 C ATOM 468 O ARG A 31 148.485 6.429 -13.737 1.00 0.00 O ATOM 469 CB ARG A 31 150.574 5.630 -16.421 1.00 0.00 C ATOM 470 CG ARG A 31 150.613 5.986 -17.899 1.00 0.00 C ATOM 471 CD ARG A 31 150.335 4.775 -18.774 1.00 0.00 C ATOM 472 NE ARG A 31 151.280 4.672 -19.884 1.00 0.00 N ATOM 473 CZ ARG A 31 151.480 3.561 -20.586 1.00 0.00 C ATOM 474 NH1 ARG A 31 150.805 2.455 -20.300 1.00 0.00 N ATOM 475 NH2 ARG A 31 152.358 3.557 -21.580 1.00 0.00 N ATOM 0 H ARG A 31 150.799 6.590 -13.582 1.00 0.00 H new ATOM 0 HA ARG A 31 149.923 7.658 -16.135 1.00 0.00 H new ATOM 0 HB2 ARG A 31 151.578 5.360 -16.094 1.00 0.00 H new ATOM 0 HB3 ARG A 31 149.947 4.749 -16.285 1.00 0.00 H new ATOM 0 HG2 ARG A 31 149.876 6.762 -18.106 1.00 0.00 H new ATOM 0 HG3 ARG A 31 151.590 6.399 -18.149 1.00 0.00 H new ATOM 0 HD2 ARG A 31 150.388 3.870 -18.168 1.00 0.00 H new ATOM 0 HD3 ARG A 31 149.320 4.837 -19.167 1.00 0.00 H new ATOM 0 HE ARG A 31 151.818 5.502 -20.135 1.00 0.00 H new ATOM 0 HH11 ARG A 31 150.128 2.454 -19.537 1.00 0.00 H new ATOM 0 HH12 ARG A 31 150.963 1.606 -20.843 1.00 0.00 H new ATOM 0 HH21 ARG A 31 152.878 4.405 -21.804 1.00 0.00 H new ATOM 0 HH22 ARG A 31 152.513 2.706 -22.120 1.00 0.00 H new ATOM 489 N LEU A 32 147.761 5.998 -15.824 1.00 0.00 N ATOM 490 CA LEU A 32 146.423 5.609 -15.394 1.00 0.00 C ATOM 491 C LEU A 32 146.458 4.277 -14.650 1.00 0.00 C ATOM 492 O LEU A 32 146.916 3.267 -15.186 1.00 0.00 O ATOM 493 CB LEU A 32 145.487 5.509 -16.599 1.00 0.00 C ATOM 494 CG LEU A 32 144.928 6.845 -17.098 1.00 0.00 C ATOM 495 CD1 LEU A 32 145.631 7.277 -18.376 1.00 0.00 C ATOM 496 CD2 LEU A 32 143.426 6.746 -17.322 1.00 0.00 C ATOM 0 H LEU A 32 147.912 5.951 -16.832 1.00 0.00 H new ATOM 0 HA LEU A 32 146.048 6.375 -14.715 1.00 0.00 H new ATOM 0 HB2 LEU A 32 146.023 5.028 -17.417 1.00 0.00 H new ATOM 0 HB3 LEU A 32 144.653 4.858 -16.339 1.00 0.00 H new ATOM 0 HG LEU A 32 145.113 7.600 -16.334 1.00 0.00 H new ATOM 0 HD11 LEU A 32 145.219 8.228 -18.714 1.00 0.00 H new ATOM 0 HD12 LEU A 32 146.698 7.391 -18.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 145.480 6.522 -19.147 1.00 0.00 H new ATOM 0 HD21 LEU A 32 143.047 7.705 -17.676 1.00 0.00 H new ATOM 0 HD22 LEU A 32 143.219 5.977 -18.066 1.00 0.00 H new ATOM 0 HD23 LEU A 32 142.935 6.486 -16.384 1.00 0.00 H new ATOM 508 N THR A 33 145.975 4.284 -13.413 1.00 0.00 N ATOM 509 CA THR A 33 145.954 3.077 -12.593 1.00 0.00 C ATOM 510 C THR A 33 144.757 3.081 -11.647 1.00 0.00 C ATOM 511 O THR A 33 144.800 2.475 -10.576 1.00 0.00 O ATOM 512 CB THR A 33 147.250 2.961 -11.792 1.00 0.00 C ATOM 513 OG1 THR A 33 148.286 3.712 -12.400 1.00 0.00 O ATOM 514 CG2 THR A 33 147.742 1.536 -11.649 1.00 0.00 C ATOM 0 H THR A 33 145.593 5.111 -12.955 1.00 0.00 H new ATOM 0 HA THR A 33 145.865 2.217 -13.257 1.00 0.00 H new ATOM 0 HB THR A 33 147.010 3.347 -10.801 1.00 0.00 H new ATOM 0 HG1 THR A 33 148.610 4.391 -11.772 1.00 0.00 H new ATOM 0 HG21 THR A 33 148.665 1.526 -11.070 1.00 0.00 H new ATOM 0 HG22 THR A 33 146.986 0.940 -11.137 1.00 0.00 H new ATOM 0 HG23 THR A 33 147.929 1.115 -12.637 1.00 0.00 H new ATOM 522 N PHE A 34 143.691 3.769 -12.044 1.00 0.00 N ATOM 523 CA PHE A 34 142.487 3.852 -11.226 1.00 0.00 C ATOM 524 C PHE A 34 141.373 2.975 -11.789 1.00 0.00 C ATOM 525 O PHE A 34 140.191 3.267 -11.604 1.00 0.00 O ATOM 526 CB PHE A 34 142.011 5.303 -11.133 1.00 0.00 C ATOM 527 CG PHE A 34 141.540 5.694 -9.761 1.00 0.00 C ATOM 528 CD1 PHE A 34 140.710 4.855 -9.034 1.00 0.00 C ATOM 529 CD2 PHE A 34 141.927 6.900 -9.200 1.00 0.00 C ATOM 530 CE1 PHE A 34 140.277 5.213 -7.772 1.00 0.00 C ATOM 531 CE2 PHE A 34 141.496 7.262 -7.938 1.00 0.00 C ATOM 532 CZ PHE A 34 140.669 6.418 -7.224 1.00 0.00 C ATOM 0 H PHE A 34 143.637 4.277 -12.927 1.00 0.00 H new ATOM 0 HA PHE A 34 142.734 3.489 -10.229 1.00 0.00 H new ATOM 0 HB2 PHE A 34 142.825 5.964 -11.431 1.00 0.00 H new ATOM 0 HB3 PHE A 34 141.200 5.457 -11.844 1.00 0.00 H new ATOM 0 HD1 PHE A 34 140.399 3.912 -9.458 1.00 0.00 H new ATOM 0 HD2 PHE A 34 142.573 7.565 -9.755 1.00 0.00 H new ATOM 0 HE1 PHE A 34 139.632 4.550 -7.214 1.00 0.00 H new ATOM 0 HE2 PHE A 34 141.806 8.204 -7.511 1.00 0.00 H new ATOM 0 HZ PHE A 34 140.329 6.700 -6.238 1.00 0.00 H new ATOM 542 N ASN A 35 141.749 1.900 -12.476 1.00 0.00 N ATOM 543 CA ASN A 35 140.770 0.992 -13.062 1.00 0.00 C ATOM 544 C ASN A 35 140.060 0.182 -11.981 1.00 0.00 C ATOM 545 O ASN A 35 138.839 0.246 -11.849 1.00 0.00 O ATOM 546 CB ASN A 35 141.444 0.054 -14.062 1.00 0.00 C ATOM 547 CG ASN A 35 140.477 -0.465 -15.108 1.00 0.00 C ATOM 548 OD1 ASN A 35 140.225 0.340 -16.134 1.00 0.00 O flip ATOM 549 ND2 ASN A 35 139.962 -1.579 -14.997 1.00 0.00 N flip ATOM 0 H ASN A 35 142.721 1.638 -12.640 1.00 0.00 H new ATOM 0 HA ASN A 35 140.026 1.592 -13.586 1.00 0.00 H new ATOM 0 HB2 ASN A 35 142.261 0.580 -14.556 1.00 0.00 H new ATOM 0 HB3 ASN A 35 141.883 -0.788 -13.527 1.00 0.00 H new ATOM 0 HD21 ASN A 35 140.183 -2.165 -14.192 1.00 0.00 H new ATOM 0 HD22 ASN A 35 139.314 -1.915 -15.710 1.00 0.00 H new ATOM 556 N LYS A 36 140.830 -0.584 -11.212 1.00 0.00 N ATOM 557 CA LYS A 36 140.260 -1.404 -10.148 1.00 0.00 C ATOM 558 C LYS A 36 141.301 -1.726 -9.078 1.00 0.00 C ATOM 559 O LYS A 36 141.951 -2.770 -9.125 1.00 0.00 O ATOM 560 CB LYS A 36 139.691 -2.701 -10.726 1.00 0.00 C ATOM 561 CG LYS A 36 138.438 -3.184 -10.017 1.00 0.00 C ATOM 562 CD LYS A 36 137.775 -4.325 -10.772 1.00 0.00 C ATOM 563 CE LYS A 36 136.259 -4.229 -10.708 1.00 0.00 C ATOM 564 NZ LYS A 36 135.724 -4.759 -9.425 1.00 0.00 N ATOM 0 H LYS A 36 141.843 -0.654 -11.305 1.00 0.00 H new ATOM 0 HA LYS A 36 139.456 -0.834 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 36 139.466 -2.550 -11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 36 140.453 -3.479 -10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 36 138.693 -3.513 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 36 137.735 -2.357 -9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 36 138.098 -4.310 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 36 138.098 -5.277 -10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 36 135.956 -3.189 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 36 135.825 -4.784 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 134.687 -4.676 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 135.992 -5.759 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 136.119 -4.213 -8.632 1.00 0.00 H new ATOM 578 N VAL A 37 141.449 -0.830 -8.112 1.00 0.00 N ATOM 579 CA VAL A 37 142.409 -1.026 -7.031 1.00 0.00 C ATOM 580 C VAL A 37 141.792 -1.830 -5.893 1.00 0.00 C ATOM 581 O VAL A 37 141.046 -1.289 -5.080 1.00 0.00 O ATOM 582 CB VAL A 37 142.912 0.318 -6.469 1.00 0.00 C ATOM 583 CG1 VAL A 37 144.144 0.109 -5.601 1.00 0.00 C ATOM 584 CG2 VAL A 37 143.202 1.299 -7.596 1.00 0.00 C ATOM 0 H VAL A 37 140.918 0.039 -8.053 1.00 0.00 H new ATOM 0 HA VAL A 37 143.251 -1.573 -7.455 1.00 0.00 H new ATOM 0 HB VAL A 37 142.126 0.744 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 37 144.484 1.070 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 37 143.895 -0.550 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 37 144.937 -0.343 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 37 143.556 2.241 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 37 143.967 0.884 -8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 37 142.291 1.476 -8.168 1.00 0.00 H new ATOM 594 N ILE A 38 142.105 -3.125 -5.836 1.00 0.00 N ATOM 595 CA ILE A 38 141.564 -3.981 -4.786 1.00 0.00 C ATOM 596 C ILE A 38 142.450 -5.220 -4.544 1.00 0.00 C ATOM 597 O ILE A 38 143.631 -5.083 -4.211 1.00 0.00 O ATOM 598 CB ILE A 38 140.113 -4.402 -5.115 1.00 0.00 C ATOM 599 CG1 ILE A 38 140.024 -4.936 -6.547 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.167 -3.227 -4.927 1.00 0.00 C ATOM 601 CD1 ILE A 38 139.029 -6.065 -6.710 1.00 0.00 C ATOM 0 H ILE A 38 142.722 -3.597 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 38 141.556 -3.400 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 38 139.818 -5.198 -4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 38 139.748 -4.120 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 38 141.009 -5.283 -6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.149 -3.538 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 38 139.212 -2.885 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.460 -2.414 -5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 38 139.019 -6.394 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 38 139.316 -6.898 -6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 38 138.035 -5.717 -6.430 1.00 0.00 H new ATOM 613 N LYS A 39 141.879 -6.423 -4.699 1.00 0.00 N ATOM 614 CA LYS A 39 142.613 -7.671 -4.489 1.00 0.00 C ATOM 615 C LYS A 39 142.898 -7.910 -3.008 1.00 0.00 C ATOM 616 O LYS A 39 142.812 -6.992 -2.192 1.00 0.00 O ATOM 617 CB LYS A 39 143.919 -7.678 -5.290 1.00 0.00 C ATOM 618 CG LYS A 39 143.877 -8.588 -6.506 1.00 0.00 C ATOM 619 CD LYS A 39 143.568 -7.807 -7.774 1.00 0.00 C ATOM 620 CE LYS A 39 143.123 -8.724 -8.903 1.00 0.00 C ATOM 621 NZ LYS A 39 141.729 -8.433 -9.338 1.00 0.00 N ATOM 0 H LYS A 39 140.905 -6.554 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 39 141.981 -8.484 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 39 144.143 -6.662 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 39 144.734 -7.992 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 39 144.835 -9.097 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 39 143.121 -9.359 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 39 142.787 -7.075 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 39 144.453 -7.251 -8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 39 143.799 -8.611 -9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 39 143.192 -9.762 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 141.315 -9.284 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 141.160 -8.149 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 141.737 -7.662 -10.035 1.00 0.00 H new ATOM 635 N PRO A 40 143.236 -9.161 -2.642 1.00 0.00 N ATOM 636 CA PRO A 40 143.528 -9.537 -1.252 1.00 0.00 C ATOM 637 C PRO A 40 144.638 -8.696 -0.636 1.00 0.00 C ATOM 638 O PRO A 40 145.805 -9.090 -0.634 1.00 0.00 O ATOM 639 CB PRO A 40 143.960 -11.008 -1.349 1.00 0.00 C ATOM 640 CG PRO A 40 144.255 -11.240 -2.792 1.00 0.00 C ATOM 641 CD PRO A 40 143.353 -10.312 -3.551 1.00 0.00 C ATOM 0 HA PRO A 40 142.663 -9.378 -0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 40 144.838 -11.201 -0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 40 143.171 -11.673 -0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 40 145.302 -11.035 -3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 40 144.068 -12.278 -3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 40 143.781 -10.027 -4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 40 142.384 -10.767 -3.756 1.00 0.00 H new ATOM 649 N CYS A 41 144.265 -7.537 -0.109 1.00 0.00 N ATOM 650 CA CYS A 41 145.226 -6.634 0.520 1.00 0.00 C ATOM 651 C CYS A 41 145.711 -7.188 1.856 1.00 0.00 C ATOM 652 O CYS A 41 145.269 -8.248 2.296 1.00 0.00 O ATOM 653 CB CYS A 41 144.617 -5.247 0.726 1.00 0.00 C ATOM 654 SG CYS A 41 142.898 -5.253 1.287 1.00 0.00 S ATOM 0 H CYS A 41 143.303 -7.198 -0.104 1.00 0.00 H new ATOM 0 HA CYS A 41 146.080 -6.548 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 41 145.221 -4.704 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 41 144.677 -4.696 -0.212 1.00 0.00 H new ATOM 0 HG CYS A 41 142.767 -4.439 2.292 1.00 0.00 H new ATOM 660 N MET A 42 146.627 -6.460 2.493 1.00 0.00 N ATOM 661 CA MET A 42 147.186 -6.875 3.778 1.00 0.00 C ATOM 662 C MET A 42 147.971 -5.734 4.426 1.00 0.00 C ATOM 663 O MET A 42 149.046 -5.364 3.951 1.00 0.00 O ATOM 664 CB MET A 42 148.113 -8.080 3.582 1.00 0.00 C ATOM 665 CG MET A 42 147.386 -9.413 3.505 1.00 0.00 C ATOM 666 SD MET A 42 148.428 -10.800 3.996 1.00 0.00 S ATOM 667 CE MET A 42 149.308 -11.121 2.468 1.00 0.00 C ATOM 0 H MET A 42 146.998 -5.578 2.139 1.00 0.00 H new ATOM 0 HA MET A 42 146.359 -7.149 4.433 1.00 0.00 H new ATOM 0 HB2 MET A 42 148.688 -7.938 2.667 1.00 0.00 H new ATOM 0 HB3 MET A 42 148.827 -8.114 4.405 1.00 0.00 H new ATOM 0 HG2 MET A 42 146.505 -9.380 4.146 1.00 0.00 H new ATOM 0 HG3 MET A 42 147.033 -9.572 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 42 149.994 -11.956 2.612 1.00 0.00 H new ATOM 0 HE2 MET A 42 148.594 -11.369 1.682 1.00 0.00 H new ATOM 0 HE3 MET A 42 149.872 -10.234 2.179 1.00 0.00 H new ATOM 677 N LYS A 43 147.440 -5.184 5.513 1.00 0.00 N ATOM 678 CA LYS A 43 148.109 -4.095 6.218 1.00 0.00 C ATOM 679 C LYS A 43 148.779 -4.603 7.492 1.00 0.00 C ATOM 680 O LYS A 43 148.628 -5.768 7.864 1.00 0.00 O ATOM 681 CB LYS A 43 147.118 -2.981 6.565 1.00 0.00 C ATOM 682 CG LYS A 43 146.063 -3.390 7.583 1.00 0.00 C ATOM 683 CD LYS A 43 145.516 -2.184 8.330 1.00 0.00 C ATOM 684 CE LYS A 43 146.575 -1.547 9.217 1.00 0.00 C ATOM 685 NZ LYS A 43 146.329 -1.819 10.660 1.00 0.00 N ATOM 0 H LYS A 43 146.552 -5.472 5.924 1.00 0.00 H new ATOM 0 HA LYS A 43 148.874 -3.692 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 43 147.670 -2.125 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 43 146.620 -2.653 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 43 145.248 -3.907 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 43 146.495 -4.095 8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 43 145.149 -1.448 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 43 144.665 -2.488 8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 43 147.558 -1.927 8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 43 146.590 -0.470 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 146.020 -0.944 11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 145.589 -2.543 10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 147.206 -2.160 11.103 1.00 0.00 H new ATOM 699 N LYS A 44 149.516 -3.721 8.159 1.00 0.00 N ATOM 700 CA LYS A 44 150.205 -4.078 9.393 1.00 0.00 C ATOM 701 C LYS A 44 150.132 -2.936 10.400 1.00 0.00 C ATOM 702 O LYS A 44 149.486 -1.918 10.154 1.00 0.00 O ATOM 703 CB LYS A 44 151.666 -4.429 9.102 1.00 0.00 C ATOM 704 CG LYS A 44 151.837 -5.699 8.286 1.00 0.00 C ATOM 705 CD LYS A 44 153.101 -6.450 8.680 1.00 0.00 C ATOM 706 CE LYS A 44 154.196 -6.288 7.639 1.00 0.00 C ATOM 707 NZ LYS A 44 154.890 -7.575 7.358 1.00 0.00 N ATOM 0 H LYS A 44 149.651 -2.754 7.865 1.00 0.00 H new ATOM 0 HA LYS A 44 149.710 -4.950 9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 44 152.131 -3.600 8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 44 152.199 -4.540 10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 44 150.970 -6.344 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 151.877 -5.449 7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 44 153.457 -6.084 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 44 152.872 -7.508 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 44 153.765 -5.899 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 44 154.922 -5.553 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 155.630 -7.422 6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 155.323 -7.934 8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 154.203 -8.269 7.002 1.00 0.00 H new ATOM 721 N THR A 45 150.804 -3.110 11.534 1.00 0.00 N ATOM 722 CA THR A 45 150.821 -2.101 12.575 1.00 0.00 C ATOM 723 C THR A 45 151.944 -2.371 13.570 1.00 0.00 C ATOM 724 O THR A 45 152.231 -3.523 13.897 1.00 0.00 O ATOM 725 CB THR A 45 149.475 -2.055 13.300 1.00 0.00 C ATOM 726 OG1 THR A 45 148.422 -1.808 12.386 1.00 0.00 O ATOM 727 CG2 THR A 45 149.411 -0.988 14.373 1.00 0.00 C ATOM 0 H THR A 45 151.345 -3.947 11.751 1.00 0.00 H new ATOM 0 HA THR A 45 150.999 -1.133 12.106 1.00 0.00 H new ATOM 0 HB THR A 45 149.367 -3.031 13.773 1.00 0.00 H new ATOM 0 HG1 THR A 45 148.758 -1.273 11.637 1.00 0.00 H new ATOM 0 HG21 THR A 45 148.430 -1.009 14.848 1.00 0.00 H new ATOM 0 HG22 THR A 45 150.181 -1.177 15.121 1.00 0.00 H new ATOM 0 HG23 THR A 45 149.576 -0.009 13.923 1.00 0.00 H new ATOM 735 N ILE A 46 152.579 -1.304 14.048 1.00 0.00 N ATOM 736 CA ILE A 46 153.672 -1.441 15.004 1.00 0.00 C ATOM 737 C ILE A 46 153.623 -0.348 16.063 1.00 0.00 C ATOM 738 O ILE A 46 154.092 0.767 15.841 1.00 0.00 O ATOM 739 CB ILE A 46 155.051 -1.401 14.312 1.00 0.00 C ATOM 740 CG1 ILE A 46 155.075 -0.324 13.220 1.00 0.00 C ATOM 741 CG2 ILE A 46 155.400 -2.768 13.741 1.00 0.00 C ATOM 742 CD1 ILE A 46 154.472 -0.767 11.903 1.00 0.00 C ATOM 0 H ILE A 46 152.357 -0.342 13.791 1.00 0.00 H new ATOM 0 HA ILE A 46 153.542 -2.414 15.478 1.00 0.00 H new ATOM 0 HB ILE A 46 155.806 -1.143 15.055 1.00 0.00 H new ATOM 0 HG12 ILE A 46 154.536 0.553 13.578 1.00 0.00 H new ATOM 0 HG13 ILE A 46 156.107 -0.017 13.050 1.00 0.00 H new ATOM 0 HG21 ILE A 46 156.375 -2.722 13.257 1.00 0.00 H new ATOM 0 HG22 ILE A 46 155.429 -3.502 14.546 1.00 0.00 H new ATOM 0 HG23 ILE A 46 154.646 -3.061 13.011 1.00 0.00 H new ATOM 0 HD11 ILE A 46 154.527 0.051 11.184 1.00 0.00 H new ATOM 0 HD12 ILE A 46 155.025 -1.625 11.520 1.00 0.00 H new ATOM 0 HD13 ILE A 46 153.429 -1.046 12.056 1.00 0.00 H new ATOM 754 N TYR A 47 153.053 -0.678 17.215 1.00 0.00 N ATOM 755 CA TYR A 47 152.944 0.275 18.310 1.00 0.00 C ATOM 756 C TYR A 47 153.888 -0.094 19.448 1.00 0.00 C ATOM 757 O TYR A 47 154.202 -1.268 19.651 1.00 0.00 O ATOM 758 CB TYR A 47 151.504 0.339 18.824 1.00 0.00 C ATOM 759 CG TYR A 47 151.012 -0.967 19.410 1.00 0.00 C ATOM 760 CD1 TYR A 47 150.576 -1.998 18.589 1.00 0.00 C ATOM 761 CD2 TYR A 47 150.984 -1.165 20.784 1.00 0.00 C ATOM 762 CE1 TYR A 47 150.124 -3.191 19.120 1.00 0.00 C ATOM 763 CE2 TYR A 47 150.533 -2.355 21.324 1.00 0.00 C ATOM 764 CZ TYR A 47 150.105 -3.365 20.488 1.00 0.00 C ATOM 765 OH TYR A 47 149.657 -4.550 21.021 1.00 0.00 O ATOM 0 H TYR A 47 152.660 -1.598 17.414 1.00 0.00 H new ATOM 0 HA TYR A 47 153.227 1.257 17.931 1.00 0.00 H new ATOM 0 HB2 TYR A 47 151.432 1.118 19.583 1.00 0.00 H new ATOM 0 HB3 TYR A 47 150.847 0.630 18.005 1.00 0.00 H new ATOM 0 HD1 TYR A 47 150.590 -1.865 17.517 1.00 0.00 H new ATOM 0 HD2 TYR A 47 151.320 -0.377 21.441 1.00 0.00 H new ATOM 0 HE1 TYR A 47 149.787 -3.983 18.467 1.00 0.00 H new ATOM 0 HE2 TYR A 47 150.516 -2.493 22.395 1.00 0.00 H new ATOM 0 HH TYR A 47 149.710 -4.510 21.999 1.00 0.00 H new ATOM 775 N GLU A 48 154.343 0.915 20.186 1.00 0.00 N ATOM 776 CA GLU A 48 155.253 0.691 21.302 1.00 0.00 C ATOM 777 C GLU A 48 154.503 0.183 22.525 1.00 0.00 C ATOM 778 O GLU A 48 154.488 -1.014 22.810 1.00 0.00 O ATOM 779 CB GLU A 48 156.016 1.977 21.635 1.00 0.00 C ATOM 780 CG GLU A 48 156.935 1.846 22.839 1.00 0.00 C ATOM 781 CD GLU A 48 158.265 2.546 22.638 1.00 0.00 C ATOM 782 OE1 GLU A 48 158.742 2.596 21.485 1.00 0.00 O ATOM 783 OE2 GLU A 48 158.828 3.048 23.634 1.00 0.00 O ATOM 0 H GLU A 48 154.096 1.893 20.031 1.00 0.00 H new ATOM 0 HA GLU A 48 155.971 -0.074 21.006 1.00 0.00 H new ATOM 0 HB2 GLU A 48 156.607 2.274 20.768 1.00 0.00 H new ATOM 0 HB3 GLU A 48 155.299 2.777 21.821 1.00 0.00 H new ATOM 0 HG2 GLU A 48 156.439 2.261 23.716 1.00 0.00 H new ATOM 0 HG3 GLU A 48 157.112 0.790 23.043 1.00 0.00 H new ATOM 790 N ASN A 49 153.887 1.105 23.235 1.00 0.00 N ATOM 791 CA ASN A 49 153.126 0.774 24.435 1.00 0.00 C ATOM 792 C ASN A 49 152.369 1.994 24.947 1.00 0.00 C ATOM 793 O ASN A 49 151.144 1.979 25.052 1.00 0.00 O ATOM 794 CB ASN A 49 154.057 0.238 25.527 1.00 0.00 C ATOM 795 CG ASN A 49 153.974 -1.270 25.667 1.00 0.00 C ATOM 796 OD1 ASN A 49 154.993 -1.958 25.697 1.00 0.00 O ATOM 797 ND2 ASN A 49 152.756 -1.790 25.755 1.00 0.00 N ATOM 0 H ASN A 49 153.895 2.099 23.004 1.00 0.00 H new ATOM 0 HA ASN A 49 152.403 0.000 24.176 1.00 0.00 H new ATOM 0 HB2 ASN A 49 155.084 0.523 25.298 1.00 0.00 H new ATOM 0 HB3 ASN A 49 153.802 0.703 26.479 1.00 0.00 H new ATOM 0 HD21 ASN A 49 152.638 -2.798 25.852 1.00 0.00 H new ATOM 0 HD22 ASN A 49 151.938 -1.181 25.726 1.00 0.00 H new ATOM 804 N GLU A 50 153.109 3.052 25.252 1.00 0.00 N ATOM 805 CA GLU A 50 152.512 4.287 25.742 1.00 0.00 C ATOM 806 C GLU A 50 152.359 5.292 24.605 1.00 0.00 C ATOM 807 O GLU A 50 152.518 6.497 24.801 1.00 0.00 O ATOM 808 CB GLU A 50 153.368 4.886 26.861 1.00 0.00 C ATOM 809 CG GLU A 50 152.608 5.841 27.767 1.00 0.00 C ATOM 810 CD GLU A 50 151.792 5.119 28.822 1.00 0.00 C ATOM 811 OE1 GLU A 50 151.017 4.212 28.456 1.00 0.00 O ATOM 812 OE2 GLU A 50 151.931 5.462 30.014 1.00 0.00 O ATOM 0 H GLU A 50 154.125 3.079 25.168 1.00 0.00 H new ATOM 0 HA GLU A 50 151.524 4.057 26.141 1.00 0.00 H new ATOM 0 HB2 GLU A 50 153.780 4.077 27.464 1.00 0.00 H new ATOM 0 HB3 GLU A 50 154.212 5.414 26.418 1.00 0.00 H new ATOM 0 HG2 GLU A 50 153.314 6.512 28.256 1.00 0.00 H new ATOM 0 HG3 GLU A 50 151.946 6.461 27.162 1.00 0.00 H new ATOM 819 N ARG A 51 152.055 4.782 23.416 1.00 0.00 N ATOM 820 CA ARG A 51 151.885 5.625 22.238 1.00 0.00 C ATOM 821 C ARG A 51 153.198 6.305 21.868 1.00 0.00 C ATOM 822 O ARG A 51 153.255 7.526 21.713 1.00 0.00 O ATOM 823 CB ARG A 51 150.797 6.676 22.484 1.00 0.00 C ATOM 824 CG ARG A 51 150.490 7.526 21.263 1.00 0.00 C ATOM 825 CD ARG A 51 149.109 8.158 21.354 1.00 0.00 C ATOM 826 NE ARG A 51 149.152 9.481 21.973 1.00 0.00 N ATOM 827 CZ ARG A 51 149.076 9.693 23.285 1.00 0.00 C ATOM 828 NH1 ARG A 51 148.968 8.671 24.127 1.00 0.00 N ATOM 829 NH2 ARG A 51 149.115 10.930 23.759 1.00 0.00 N ATOM 0 H ARG A 51 151.921 3.786 23.243 1.00 0.00 H new ATOM 0 HA ARG A 51 151.578 4.990 21.407 1.00 0.00 H new ATOM 0 HB2 ARG A 51 149.885 6.175 22.807 1.00 0.00 H new ATOM 0 HB3 ARG A 51 151.109 7.327 23.301 1.00 0.00 H new ATOM 0 HG2 ARG A 51 151.243 8.308 21.165 1.00 0.00 H new ATOM 0 HG3 ARG A 51 150.551 6.910 20.366 1.00 0.00 H new ATOM 0 HD2 ARG A 51 148.681 8.239 20.355 1.00 0.00 H new ATOM 0 HD3 ARG A 51 148.451 7.509 21.931 1.00 0.00 H new ATOM 0 HE ARG A 51 149.246 10.292 21.362 1.00 0.00 H new ATOM 0 HH11 ARG A 51 148.943 7.716 23.769 1.00 0.00 H new ATOM 0 HH12 ARG A 51 148.910 8.841 25.131 1.00 0.00 H new ATOM 0 HH21 ARG A 51 149.203 11.719 23.119 1.00 0.00 H new ATOM 0 HH22 ARG A 51 149.057 11.093 24.764 1.00 0.00 H new ATOM 843 N GLU A 52 154.256 5.511 21.729 1.00 0.00 N ATOM 844 CA GLU A 52 155.568 6.050 21.376 1.00 0.00 C ATOM 845 C GLU A 52 155.816 5.974 19.876 1.00 0.00 C ATOM 846 O GLU A 52 156.646 6.705 19.336 1.00 0.00 O ATOM 847 CB GLU A 52 156.672 5.312 22.131 1.00 0.00 C ATOM 848 CG GLU A 52 156.430 5.222 23.630 1.00 0.00 C ATOM 849 CD GLU A 52 157.672 5.536 24.440 1.00 0.00 C ATOM 850 OE1 GLU A 52 158.281 6.600 24.208 1.00 0.00 O ATOM 851 OE2 GLU A 52 158.037 4.716 25.309 1.00 0.00 O ATOM 0 H GLU A 52 154.233 4.499 21.854 1.00 0.00 H new ATOM 0 HA GLU A 52 155.582 7.100 21.667 1.00 0.00 H new ATOM 0 HB2 GLU A 52 156.767 4.305 21.726 1.00 0.00 H new ATOM 0 HB3 GLU A 52 157.622 5.817 21.954 1.00 0.00 H new ATOM 0 HG2 GLU A 52 155.635 5.913 23.908 1.00 0.00 H new ATOM 0 HG3 GLU A 52 156.082 4.219 23.879 1.00 0.00 H new ATOM 858 N ILE A 53 155.087 5.094 19.208 1.00 0.00 N ATOM 859 CA ILE A 53 155.222 4.928 17.766 1.00 0.00 C ATOM 860 C ILE A 53 153.865 4.660 17.114 1.00 0.00 C ATOM 861 O ILE A 53 153.172 5.588 16.697 1.00 0.00 O ATOM 862 CB ILE A 53 156.249 3.813 17.408 1.00 0.00 C ATOM 863 CG1 ILE A 53 156.099 3.365 15.948 1.00 0.00 C ATOM 864 CG2 ILE A 53 156.124 2.625 18.354 1.00 0.00 C ATOM 865 CD1 ILE A 53 157.342 2.712 15.385 1.00 0.00 C ATOM 0 H ILE A 53 154.395 4.482 19.640 1.00 0.00 H new ATOM 0 HA ILE A 53 155.609 5.865 17.365 1.00 0.00 H new ATOM 0 HB ILE A 53 157.246 4.236 17.528 1.00 0.00 H new ATOM 0 HG12 ILE A 53 155.266 2.666 15.875 1.00 0.00 H new ATOM 0 HG13 ILE A 53 155.844 4.230 15.336 1.00 0.00 H new ATOM 0 HG21 ILE A 53 156.853 1.863 18.079 1.00 0.00 H new ATOM 0 HG22 ILE A 53 156.310 2.953 19.377 1.00 0.00 H new ATOM 0 HG23 ILE A 53 155.119 2.208 18.284 1.00 0.00 H new ATOM 0 HD11 ILE A 53 157.163 2.421 14.350 1.00 0.00 H new ATOM 0 HD12 ILE A 53 158.173 3.416 15.426 1.00 0.00 H new ATOM 0 HD13 ILE A 53 157.587 1.828 15.973 1.00 0.00 H new ATOM 877 N LYS A 54 153.494 3.397 17.039 1.00 0.00 N ATOM 878 CA LYS A 54 152.221 2.988 16.450 1.00 0.00 C ATOM 879 C LYS A 54 152.210 3.182 14.938 1.00 0.00 C ATOM 880 O LYS A 54 151.337 3.860 14.394 1.00 0.00 O ATOM 881 CB LYS A 54 151.065 3.764 17.079 1.00 0.00 C ATOM 882 CG LYS A 54 149.713 3.091 16.907 1.00 0.00 C ATOM 883 CD LYS A 54 148.591 3.938 17.488 1.00 0.00 C ATOM 884 CE LYS A 54 148.277 5.130 16.599 1.00 0.00 C ATOM 885 NZ LYS A 54 148.890 6.386 17.116 1.00 0.00 N ATOM 0 H LYS A 54 154.061 2.622 17.382 1.00 0.00 H new ATOM 0 HA LYS A 54 152.096 1.925 16.656 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.263 3.895 18.143 1.00 0.00 H new ATOM 0 HB3 LYS A 54 151.024 4.760 16.637 1.00 0.00 H new ATOM 0 HG2 LYS A 54 149.526 2.914 15.848 1.00 0.00 H new ATOM 0 HG3 LYS A 54 149.725 2.117 17.396 1.00 0.00 H new ATOM 0 HD2 LYS A 54 147.697 3.327 17.608 1.00 0.00 H new ATOM 0 HD3 LYS A 54 148.874 4.288 18.481 1.00 0.00 H new ATOM 0 HE2 LYS A 54 148.642 4.937 15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 54 147.197 5.256 16.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 149.169 6.990 16.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 148.200 6.891 17.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 149.729 6.154 17.685 1.00 0.00 H new ATOM 899 N GLY A 55 153.170 2.565 14.261 1.00 0.00 N ATOM 900 CA GLY A 55 153.228 2.664 12.813 1.00 0.00 C ATOM 901 C GLY A 55 152.253 1.712 12.164 1.00 0.00 C ATOM 902 O GLY A 55 151.746 0.802 12.818 1.00 0.00 O ATOM 0 H GLY A 55 153.906 2.000 14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 55 153.003 3.685 12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 55 154.239 2.444 12.470 1.00 0.00 H new ATOM 906 N TYR A 56 151.980 1.913 10.885 1.00 0.00 N ATOM 907 CA TYR A 56 151.050 1.043 10.182 1.00 0.00 C ATOM 908 C TYR A 56 151.420 0.904 8.712 1.00 0.00 C ATOM 909 O TYR A 56 151.536 1.895 7.990 1.00 0.00 O ATOM 910 CB TYR A 56 149.616 1.567 10.316 1.00 0.00 C ATOM 911 CG TYR A 56 149.476 3.062 10.120 1.00 0.00 C ATOM 912 CD1 TYR A 56 150.065 3.959 11.005 1.00 0.00 C ATOM 913 CD2 TYR A 56 148.746 3.577 9.056 1.00 0.00 C ATOM 914 CE1 TYR A 56 149.930 5.323 10.831 1.00 0.00 C ATOM 915 CE2 TYR A 56 148.605 4.941 8.879 1.00 0.00 C ATOM 916 CZ TYR A 56 149.199 5.808 9.769 1.00 0.00 C ATOM 917 OH TYR A 56 149.062 7.167 9.596 1.00 0.00 O ATOM 0 H TYR A 56 152.382 2.660 10.319 1.00 0.00 H new ATOM 0 HA TYR A 56 151.112 0.056 10.641 1.00 0.00 H new ATOM 0 HB2 TYR A 56 148.986 1.057 9.587 1.00 0.00 H new ATOM 0 HB3 TYR A 56 149.237 1.305 11.304 1.00 0.00 H new ATOM 0 HD1 TYR A 56 150.637 3.584 11.841 1.00 0.00 H new ATOM 0 HD2 TYR A 56 148.281 2.900 8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 56 150.396 6.007 11.525 1.00 0.00 H new ATOM 0 HE2 TYR A 56 148.032 5.324 8.047 1.00 0.00 H new ATOM 0 HH TYR A 56 148.518 7.342 8.800 1.00 0.00 H new ATOM 927 N GLU A 57 151.599 -0.338 8.272 1.00 0.00 N ATOM 928 CA GLU A 57 151.951 -0.614 6.886 1.00 0.00 C ATOM 929 C GLU A 57 150.704 -0.960 6.079 1.00 0.00 C ATOM 930 O GLU A 57 149.914 -1.815 6.476 1.00 0.00 O ATOM 931 CB GLU A 57 152.965 -1.757 6.801 1.00 0.00 C ATOM 932 CG GLU A 57 154.006 -1.736 7.910 1.00 0.00 C ATOM 933 CD GLU A 57 155.366 -2.213 7.441 1.00 0.00 C ATOM 934 OE1 GLU A 57 155.595 -3.442 7.434 1.00 0.00 O ATOM 935 OE2 GLU A 57 156.204 -1.359 7.083 1.00 0.00 O ATOM 0 H GLU A 57 151.506 -1.169 8.857 1.00 0.00 H new ATOM 0 HA GLU A 57 152.405 0.284 6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 57 152.432 -2.707 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 57 153.473 -1.709 5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 57 154.095 -0.722 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 57 153.668 -2.366 8.733 1.00 0.00 H new ATOM 942 N TYR A 58 150.529 -0.282 4.953 1.00 0.00 N ATOM 943 CA TYR A 58 149.373 -0.512 4.096 1.00 0.00 C ATOM 944 C TYR A 58 149.776 -1.188 2.789 1.00 0.00 C ATOM 945 O TYR A 58 150.371 -0.564 1.915 1.00 0.00 O ATOM 946 CB TYR A 58 148.671 0.818 3.803 1.00 0.00 C ATOM 947 CG TYR A 58 147.213 0.846 4.204 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.352 -0.181 3.838 1.00 0.00 C ATOM 949 CD2 TYR A 58 146.696 1.903 4.941 1.00 0.00 C ATOM 950 CE1 TYR A 58 145.018 -0.155 4.199 1.00 0.00 C ATOM 951 CE2 TYR A 58 145.362 1.935 5.306 1.00 0.00 C ATOM 952 CZ TYR A 58 144.529 0.904 4.932 1.00 0.00 C ATOM 953 OH TYR A 58 143.200 0.930 5.290 1.00 0.00 O ATOM 0 H TYR A 58 151.172 0.432 4.611 1.00 0.00 H new ATOM 0 HA TYR A 58 148.688 -1.178 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 58 149.196 1.617 4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 58 148.748 1.030 2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 58 146.731 -1.013 3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 58 147.346 2.714 5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 58 144.362 -0.962 3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 58 144.976 2.764 5.881 1.00 0.00 H new ATOM 0 HH TYR A 58 142.867 0.013 5.378 1.00 0.00 H new ATOM 963 N GLN A 59 149.437 -2.467 2.655 1.00 0.00 N ATOM 964 CA GLN A 59 149.757 -3.217 1.448 1.00 0.00 C ATOM 965 C GLN A 59 148.487 -3.517 0.657 1.00 0.00 C ATOM 966 O GLN A 59 147.513 -4.030 1.207 1.00 0.00 O ATOM 967 CB GLN A 59 150.477 -4.520 1.799 1.00 0.00 C ATOM 968 CG GLN A 59 151.577 -4.890 0.816 1.00 0.00 C ATOM 969 CD GLN A 59 152.580 -5.864 1.404 1.00 0.00 C ATOM 970 OE1 GLN A 59 152.780 -6.959 0.877 1.00 0.00 O ATOM 971 NE2 GLN A 59 153.218 -5.469 2.498 1.00 0.00 N ATOM 0 H GLN A 59 148.942 -3.004 3.367 1.00 0.00 H new ATOM 0 HA GLN A 59 150.420 -2.609 0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 59 150.907 -4.431 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 59 149.748 -5.329 1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 59 151.130 -5.329 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 59 152.097 -3.985 0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 59 153.021 -4.553 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 59 153.906 -6.081 2.936 1.00 0.00 H new ATOM 980 N LEU A 60 148.499 -3.192 -0.633 1.00 0.00 N ATOM 981 CA LEU A 60 147.346 -3.427 -1.482 1.00 0.00 C ATOM 982 C LEU A 60 147.767 -3.793 -2.899 1.00 0.00 C ATOM 983 O LEU A 60 148.915 -3.586 -3.292 1.00 0.00 O ATOM 984 CB LEU A 60 146.438 -2.194 -1.504 1.00 0.00 C ATOM 985 CG LEU A 60 144.943 -2.488 -1.352 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.474 -2.172 0.061 1.00 0.00 C ATOM 987 CD2 LEU A 60 144.131 -1.699 -2.369 1.00 0.00 C ATOM 0 H LEU A 60 149.295 -2.766 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 60 146.792 -4.268 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 60 146.744 -1.522 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 60 146.595 -1.663 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 60 144.787 -3.551 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 60 143.409 -2.388 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 60 145.027 -2.784 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 60 144.649 -1.118 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 60 143.072 -1.924 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 60 144.296 -0.632 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 60 144.442 -1.975 -3.376 1.00 0.00 H new ATOM 999 N TYR A 61 146.824 -4.338 -3.665 1.00 0.00 N ATOM 1000 CA TYR A 61 147.091 -4.731 -5.040 1.00 0.00 C ATOM 1001 C TYR A 61 146.226 -3.923 -6.001 1.00 0.00 C ATOM 1002 O TYR A 61 145.083 -4.285 -6.280 1.00 0.00 O ATOM 1003 CB TYR A 61 146.831 -6.225 -5.223 1.00 0.00 C ATOM 1004 CG TYR A 61 147.930 -7.103 -4.666 1.00 0.00 C ATOM 1005 CD1 TYR A 61 147.927 -7.487 -3.332 1.00 0.00 C ATOM 1006 CD2 TYR A 61 148.968 -7.548 -5.474 1.00 0.00 C ATOM 1007 CE1 TYR A 61 148.928 -8.288 -2.817 1.00 0.00 C ATOM 1008 CE2 TYR A 61 149.973 -8.351 -4.969 1.00 0.00 C ATOM 1009 CZ TYR A 61 149.948 -8.718 -3.638 1.00 0.00 C ATOM 1010 OH TYR A 61 150.947 -9.517 -3.131 1.00 0.00 O ATOM 0 H TYR A 61 145.869 -4.516 -3.353 1.00 0.00 H new ATOM 0 HA TYR A 61 148.139 -4.529 -5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 61 145.890 -6.484 -4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 61 146.711 -6.437 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 61 147.128 -7.154 -2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 61 148.990 -7.262 -6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 61 148.911 -8.576 -1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 61 150.773 -8.689 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 61 151.587 -9.732 -3.842 1.00 0.00 H new ATOM 1020 N VAL A 62 146.778 -2.823 -6.493 1.00 0.00 N ATOM 1021 CA VAL A 62 146.059 -1.952 -7.413 1.00 0.00 C ATOM 1022 C VAL A 62 145.886 -2.609 -8.780 1.00 0.00 C ATOM 1023 O VAL A 62 146.714 -2.431 -9.674 1.00 0.00 O ATOM 1024 CB VAL A 62 146.781 -0.599 -7.579 1.00 0.00 C ATOM 1025 CG1 VAL A 62 148.205 -0.811 -8.069 1.00 0.00 C ATOM 1026 CG2 VAL A 62 146.012 0.315 -8.524 1.00 0.00 C ATOM 0 H VAL A 62 147.723 -2.512 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 62 145.074 -1.776 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 62 146.824 -0.113 -6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 62 148.699 0.154 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 62 148.752 -1.417 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 62 148.186 -1.322 -9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 62 146.541 1.263 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 62 145.929 -0.160 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 62 145.015 0.497 -8.123 1.00 0.00 H new ATOM 1036 N TYR A 63 144.801 -3.362 -8.940 1.00 0.00 N ATOM 1037 CA TYR A 63 144.525 -4.032 -10.208 1.00 0.00 C ATOM 1038 C TYR A 63 143.987 -3.037 -11.231 1.00 0.00 C ATOM 1039 O TYR A 63 142.776 -2.906 -11.410 1.00 0.00 O ATOM 1040 CB TYR A 63 143.521 -5.170 -10.007 1.00 0.00 C ATOM 1041 CG TYR A 63 143.392 -6.080 -11.208 1.00 0.00 C ATOM 1042 CD1 TYR A 63 144.413 -6.961 -11.549 1.00 0.00 C ATOM 1043 CD2 TYR A 63 142.252 -6.059 -12.002 1.00 0.00 C ATOM 1044 CE1 TYR A 63 144.300 -7.793 -12.646 1.00 0.00 C ATOM 1045 CE2 TYR A 63 142.131 -6.888 -13.101 1.00 0.00 C ATOM 1046 CZ TYR A 63 143.158 -7.754 -13.418 1.00 0.00 C ATOM 1047 OH TYR A 63 143.041 -8.579 -14.512 1.00 0.00 O ATOM 0 H TYR A 63 144.103 -3.523 -8.214 1.00 0.00 H new ATOM 0 HA TYR A 63 145.459 -4.451 -10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 63 143.823 -5.762 -9.143 1.00 0.00 H new ATOM 0 HB3 TYR A 63 142.544 -4.745 -9.776 1.00 0.00 H new ATOM 0 HD1 TYR A 63 145.309 -6.995 -10.946 1.00 0.00 H new ATOM 0 HD2 TYR A 63 141.446 -5.383 -11.756 1.00 0.00 H new ATOM 0 HE1 TYR A 63 145.102 -8.471 -12.898 1.00 0.00 H new ATOM 0 HE2 TYR A 63 141.238 -6.858 -13.708 1.00 0.00 H new ATOM 0 HH TYR A 63 142.175 -8.427 -14.945 1.00 0.00 H new ATOM 1057 N ALA A 64 144.895 -2.328 -11.892 1.00 0.00 N ATOM 1058 CA ALA A 64 144.508 -1.337 -12.887 1.00 0.00 C ATOM 1059 C ALA A 64 144.347 -1.964 -14.265 1.00 0.00 C ATOM 1060 O ALA A 64 144.508 -3.172 -14.434 1.00 0.00 O ATOM 1061 CB ALA A 64 145.527 -0.212 -12.932 1.00 0.00 C ATOM 0 H ALA A 64 145.902 -2.421 -11.757 1.00 0.00 H new ATOM 0 HA ALA A 64 143.541 -0.928 -12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 64 145.226 0.522 -13.680 1.00 0.00 H new ATOM 0 HB2 ALA A 64 145.583 0.268 -11.955 1.00 0.00 H new ATOM 0 HB3 ALA A 64 146.505 -0.617 -13.194 1.00 0.00 H new ATOM 1067 N SER A 65 144.027 -1.129 -15.249 1.00 0.00 N ATOM 1068 CA SER A 65 143.842 -1.596 -16.616 1.00 0.00 C ATOM 1069 C SER A 65 145.136 -2.177 -17.173 1.00 0.00 C ATOM 1070 O SER A 65 145.126 -3.206 -17.848 1.00 0.00 O ATOM 1071 CB SER A 65 143.360 -0.450 -17.508 1.00 0.00 C ATOM 1072 OG SER A 65 142.760 0.577 -16.739 1.00 0.00 O ATOM 0 H SER A 65 143.891 -0.126 -15.124 1.00 0.00 H new ATOM 0 HA SER A 65 143.087 -2.382 -16.605 1.00 0.00 H new ATOM 0 HB2 SER A 65 144.201 -0.044 -18.070 1.00 0.00 H new ATOM 0 HB3 SER A 65 142.643 -0.829 -18.237 1.00 0.00 H new ATOM 0 HG SER A 65 141.804 0.626 -16.948 1.00 0.00 H new ATOM 1078 N ASP A 66 146.250 -1.510 -16.885 1.00 0.00 N ATOM 1079 CA ASP A 66 147.553 -1.957 -17.358 1.00 0.00 C ATOM 1080 C ASP A 66 147.801 -3.411 -16.991 1.00 0.00 C ATOM 1081 O ASP A 66 148.133 -4.236 -17.841 1.00 0.00 O ATOM 1082 CB ASP A 66 148.665 -1.071 -16.785 1.00 0.00 C ATOM 1083 CG ASP A 66 148.480 -0.790 -15.308 1.00 0.00 C ATOM 1084 OD1 ASP A 66 148.867 -1.649 -14.488 1.00 0.00 O ATOM 1085 OD2 ASP A 66 147.951 0.290 -14.970 1.00 0.00 O ATOM 0 H ASP A 66 146.275 -0.657 -16.326 1.00 0.00 H new ATOM 0 HA ASP A 66 147.560 -1.874 -18.445 1.00 0.00 H new ATOM 0 HB2 ASP A 66 149.628 -1.556 -16.941 1.00 0.00 H new ATOM 0 HB3 ASP A 66 148.691 -0.128 -17.331 1.00 0.00 H new ATOM 1090 N LYS A 67 147.629 -3.705 -15.717 1.00 0.00 N ATOM 1091 CA LYS A 67 147.821 -5.055 -15.195 1.00 0.00 C ATOM 1092 C LYS A 67 147.626 -5.089 -13.683 1.00 0.00 C ATOM 1093 O LYS A 67 147.163 -4.118 -13.081 1.00 0.00 O ATOM 1094 CB LYS A 67 149.218 -5.579 -15.552 1.00 0.00 C ATOM 1095 CG LYS A 67 150.346 -4.854 -14.834 1.00 0.00 C ATOM 1096 CD LYS A 67 151.078 -5.772 -13.867 1.00 0.00 C ATOM 1097 CE LYS A 67 152.581 -5.549 -13.912 1.00 0.00 C ATOM 1098 NZ LYS A 67 153.105 -5.577 -15.306 1.00 0.00 N ATOM 0 H LYS A 67 147.353 -3.021 -15.012 1.00 0.00 H new ATOM 0 HA LYS A 67 147.073 -5.699 -15.656 1.00 0.00 H new ATOM 0 HB2 LYS A 67 149.270 -6.641 -15.312 1.00 0.00 H new ATOM 0 HB3 LYS A 67 149.366 -5.488 -16.628 1.00 0.00 H new ATOM 0 HG2 LYS A 67 151.051 -4.461 -15.567 1.00 0.00 H new ATOM 0 HG3 LYS A 67 149.942 -4.000 -14.290 1.00 0.00 H new ATOM 0 HD2 LYS A 67 150.714 -5.599 -12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 67 150.856 -6.811 -14.112 1.00 0.00 H new ATOM 0 HE2 LYS A 67 152.820 -4.589 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 67 153.080 -6.317 -13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 154.073 -5.958 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 152.495 -6.181 -15.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 153.113 -4.612 -15.693 1.00 0.00 H new ATOM 1112 N LEU A 68 147.984 -6.216 -13.074 1.00 0.00 N ATOM 1113 CA LEU A 68 147.854 -6.385 -11.633 1.00 0.00 C ATOM 1114 C LEU A 68 149.026 -5.736 -10.902 1.00 0.00 C ATOM 1115 O LEU A 68 150.057 -6.370 -10.675 1.00 0.00 O ATOM 1116 CB LEU A 68 147.775 -7.876 -11.282 1.00 0.00 C ATOM 1117 CG LEU A 68 147.915 -8.206 -9.794 1.00 0.00 C ATOM 1118 CD1 LEU A 68 146.723 -7.675 -9.014 1.00 0.00 C ATOM 1119 CD2 LEU A 68 148.056 -9.710 -9.596 1.00 0.00 C ATOM 0 H LEU A 68 148.367 -7.027 -13.559 1.00 0.00 H new ATOM 0 HA LEU A 68 146.935 -5.894 -11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 68 146.820 -8.265 -11.635 1.00 0.00 H new ATOM 0 HB3 LEU A 68 148.556 -8.403 -11.829 1.00 0.00 H new ATOM 0 HG LEU A 68 148.815 -7.721 -9.416 1.00 0.00 H new ATOM 0 HD11 LEU A 68 146.841 -7.919 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 68 146.664 -6.593 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 68 145.808 -8.131 -9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 68 148.155 -9.929 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 68 147.173 -10.213 -9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 68 148.941 -10.065 -10.123 1.00 0.00 H new ATOM 1131 N PHE A 69 148.859 -4.472 -10.530 1.00 0.00 N ATOM 1132 CA PHE A 69 149.902 -3.741 -9.819 1.00 0.00 C ATOM 1133 C PHE A 69 149.762 -3.933 -8.311 1.00 0.00 C ATOM 1134 O PHE A 69 148.684 -4.257 -7.815 1.00 0.00 O ATOM 1135 CB PHE A 69 149.839 -2.251 -10.163 1.00 0.00 C ATOM 1136 CG PHE A 69 150.731 -1.850 -11.307 1.00 0.00 C ATOM 1137 CD1 PHE A 69 150.930 -2.700 -12.384 1.00 0.00 C ATOM 1138 CD2 PHE A 69 151.368 -0.620 -11.302 1.00 0.00 C ATOM 1139 CE1 PHE A 69 151.749 -2.329 -13.433 1.00 0.00 C ATOM 1140 CE2 PHE A 69 152.189 -0.244 -12.349 1.00 0.00 C ATOM 1141 CZ PHE A 69 152.379 -1.100 -13.416 1.00 0.00 C ATOM 0 H PHE A 69 148.012 -3.932 -10.709 1.00 0.00 H new ATOM 0 HA PHE A 69 150.868 -4.136 -10.133 1.00 0.00 H new ATOM 0 HB2 PHE A 69 148.810 -1.988 -10.408 1.00 0.00 H new ATOM 0 HB3 PHE A 69 150.114 -1.673 -9.281 1.00 0.00 H new ATOM 0 HD1 PHE A 69 150.440 -3.662 -12.403 1.00 0.00 H new ATOM 0 HD2 PHE A 69 151.222 0.053 -10.470 1.00 0.00 H new ATOM 0 HE1 PHE A 69 151.897 -3.000 -14.266 1.00 0.00 H new ATOM 0 HE2 PHE A 69 152.681 0.717 -12.332 1.00 0.00 H new ATOM 0 HZ PHE A 69 153.019 -0.809 -14.236 1.00 0.00 H new ATOM 1151 N ARG A 70 150.858 -3.729 -7.589 1.00 0.00 N ATOM 1152 CA ARG A 70 150.859 -3.875 -6.149 1.00 0.00 C ATOM 1153 C ARG A 70 151.498 -2.666 -5.479 1.00 0.00 C ATOM 1154 O ARG A 70 152.601 -2.258 -5.835 1.00 0.00 O ATOM 1155 CB ARG A 70 151.593 -5.155 -5.739 1.00 0.00 C ATOM 1156 CG ARG A 70 151.607 -5.395 -4.238 1.00 0.00 C ATOM 1157 CD ARG A 70 152.807 -6.226 -3.814 1.00 0.00 C ATOM 1158 NE ARG A 70 153.728 -5.467 -2.971 1.00 0.00 N ATOM 1159 CZ ARG A 70 154.866 -5.960 -2.484 1.00 0.00 C ATOM 1160 NH1 ARG A 70 155.225 -7.210 -2.753 1.00 0.00 N ATOM 1161 NH2 ARG A 70 155.644 -5.202 -1.726 1.00 0.00 N ATOM 0 H ARG A 70 151.759 -3.461 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 70 149.823 -3.943 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 70 151.122 -6.007 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 70 152.620 -5.106 -6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 70 151.624 -4.438 -3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 70 150.689 -5.903 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 70 152.464 -7.108 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 70 153.334 -6.580 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 70 153.485 -4.503 -2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 70 154.628 -7.798 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 70 156.097 -7.582 -2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 70 155.372 -4.242 -1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 70 156.515 -5.579 -1.353 1.00 0.00 H new ATOM 1175 N ALA A 71 150.798 -2.092 -4.504 1.00 0.00 N ATOM 1176 CA ALA A 71 151.306 -0.928 -3.792 1.00 0.00 C ATOM 1177 C ALA A 71 151.594 -1.259 -2.336 1.00 0.00 C ATOM 1178 O ALA A 71 150.930 -2.110 -1.744 1.00 0.00 O ATOM 1179 CB ALA A 71 150.320 0.226 -3.892 1.00 0.00 C ATOM 0 H ALA A 71 149.882 -2.414 -4.192 1.00 0.00 H new ATOM 0 HA ALA A 71 152.244 -0.628 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 71 150.714 1.089 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 71 150.171 0.488 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.367 -0.070 -3.453 1.00 0.00 H new ATOM 1185 N ASP A 72 152.586 -0.587 -1.754 1.00 0.00 N ATOM 1186 CA ASP A 72 152.937 -0.835 -0.365 1.00 0.00 C ATOM 1187 C ASP A 72 153.169 0.473 0.377 1.00 0.00 C ATOM 1188 O ASP A 72 153.785 1.397 -0.154 1.00 0.00 O ATOM 1189 CB ASP A 72 154.186 -1.713 -0.277 1.00 0.00 C ATOM 1190 CG ASP A 72 154.173 -2.618 0.939 1.00 0.00 C ATOM 1191 OD1 ASP A 72 153.465 -2.292 1.916 1.00 0.00 O ATOM 1192 OD2 ASP A 72 154.869 -3.656 0.914 1.00 0.00 O ATOM 0 H ASP A 72 153.152 0.123 -2.219 1.00 0.00 H new ATOM 0 HA ASP A 72 152.104 -1.357 0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.263 -2.321 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 72 155.071 -1.078 -0.244 1.00 0.00 H new ATOM 1197 N ILE A 73 152.672 0.548 1.604 1.00 0.00 N ATOM 1198 CA ILE A 73 152.829 1.747 2.412 1.00 0.00 C ATOM 1199 C ILE A 73 153.290 1.409 3.822 1.00 0.00 C ATOM 1200 O ILE A 73 152.963 0.350 4.360 1.00 0.00 O ATOM 1201 CB ILE A 73 151.516 2.556 2.502 1.00 0.00 C ATOM 1202 CG1 ILE A 73 150.704 2.422 1.209 1.00 0.00 C ATOM 1203 CG2 ILE A 73 151.821 4.018 2.799 1.00 0.00 C ATOM 1204 CD1 ILE A 73 149.556 3.405 1.103 1.00 0.00 C ATOM 0 H ILE A 73 152.158 -0.206 2.060 1.00 0.00 H new ATOM 0 HA ILE A 73 153.587 2.352 1.915 1.00 0.00 H new ATOM 0 HB ILE A 73 150.915 2.153 3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 73 151.369 2.562 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 73 150.309 1.408 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 73 150.888 4.579 2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 73 152.353 4.093 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 73 152.440 4.430 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 73 149.029 3.249 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 73 148.868 3.252 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 73 149.944 4.423 1.137 1.00 0.00 H new ATOM 1216 N SER A 74 154.043 2.324 4.416 1.00 0.00 N ATOM 1217 CA SER A 74 154.550 2.152 5.769 1.00 0.00 C ATOM 1218 C SER A 74 154.488 3.484 6.505 1.00 0.00 C ATOM 1219 O SER A 74 154.901 4.511 5.966 1.00 0.00 O ATOM 1220 CB SER A 74 155.987 1.629 5.742 1.00 0.00 C ATOM 1221 OG SER A 74 156.703 2.163 4.641 1.00 0.00 O ATOM 0 H SER A 74 154.318 3.202 3.976 1.00 0.00 H new ATOM 0 HA SER A 74 153.932 1.421 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 74 156.491 1.894 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.980 0.541 5.682 1.00 0.00 H new ATOM 0 HG SER A 74 157.619 1.815 4.647 1.00 0.00 H new ATOM 1227 N GLU A 75 153.961 3.479 7.724 1.00 0.00 N ATOM 1228 CA GLU A 75 153.848 4.709 8.487 1.00 0.00 C ATOM 1229 C GLU A 75 154.589 4.599 9.813 1.00 0.00 C ATOM 1230 O GLU A 75 153.975 4.591 10.876 1.00 0.00 O ATOM 1231 CB GLU A 75 152.375 5.041 8.739 1.00 0.00 C ATOM 1232 CG GLU A 75 151.689 5.713 7.560 1.00 0.00 C ATOM 1233 CD GLU A 75 151.914 4.981 6.252 1.00 0.00 C ATOM 1234 OE1 GLU A 75 151.538 3.793 6.162 1.00 0.00 O ATOM 1235 OE2 GLU A 75 152.467 5.595 5.315 1.00 0.00 O ATOM 0 H GLU A 75 153.610 2.647 8.198 1.00 0.00 H new ATOM 0 HA GLU A 75 154.302 5.511 7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 75 151.841 4.122 8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 75 152.302 5.693 9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 75 150.619 5.776 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 75 152.056 6.735 7.467 1.00 0.00 H new ATOM 1242 N ASP A 76 155.913 4.516 9.742 1.00 0.00 N ATOM 1243 CA ASP A 76 156.728 4.410 10.938 1.00 0.00 C ATOM 1244 C ASP A 76 156.723 5.724 11.704 1.00 0.00 C ATOM 1245 O ASP A 76 156.777 6.798 11.106 1.00 0.00 O ATOM 1246 CB ASP A 76 158.163 4.018 10.575 1.00 0.00 C ATOM 1247 CG ASP A 76 158.287 2.551 10.214 1.00 0.00 C ATOM 1248 OD1 ASP A 76 157.393 1.767 10.595 1.00 0.00 O ATOM 1249 OD2 ASP A 76 159.279 2.186 9.549 1.00 0.00 O ATOM 0 H ASP A 76 156.440 4.520 8.869 1.00 0.00 H new ATOM 0 HA ASP A 76 156.303 3.633 11.574 1.00 0.00 H new ATOM 0 HB2 ASP A 76 158.502 4.626 9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 76 158.821 4.240 11.415 1.00 0.00 H new ATOM 1342 N ARG A 82 156.807 7.550 7.342 1.00 0.00 N ATOM 1343 CA ARG A 82 155.521 7.642 6.659 1.00 0.00 C ATOM 1344 C ARG A 82 155.731 7.917 5.178 1.00 0.00 C ATOM 1345 O ARG A 82 156.329 8.929 4.810 1.00 0.00 O ATOM 1346 CB ARG A 82 154.669 8.756 7.277 1.00 0.00 C ATOM 1347 CG ARG A 82 153.847 8.308 8.476 1.00 0.00 C ATOM 1348 CD ARG A 82 154.510 8.702 9.786 1.00 0.00 C ATOM 1349 NE ARG A 82 153.874 9.868 10.394 1.00 0.00 N ATOM 1350 CZ ARG A 82 152.621 9.883 10.840 1.00 0.00 C ATOM 1351 NH1 ARG A 82 151.862 8.798 10.745 1.00 0.00 N ATOM 1352 NH2 ARG A 82 152.122 10.986 11.382 1.00 0.00 N ATOM 0 HA ARG A 82 155.000 6.692 6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 82 155.322 9.574 7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 82 153.997 9.152 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 82 152.853 8.751 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 82 153.716 7.226 8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 82 154.467 7.863 10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 82 155.564 8.916 9.609 1.00 0.00 H new ATOM 0 HE ARG A 82 154.424 10.722 10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 82 152.239 7.947 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 82 150.902 8.816 11.089 1.00 0.00 H new ATOM 0 HH21 ARG A 82 152.699 11.824 11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 82 151.161 10.997 11.724 1.00 0.00 H new ATOM 1366 N LYS A 83 155.244 7.021 4.322 1.00 0.00 N ATOM 1367 CA LYS A 83 155.406 7.208 2.883 1.00 0.00 C ATOM 1368 C LYS A 83 154.739 6.113 2.052 1.00 0.00 C ATOM 1369 O LYS A 83 154.697 4.945 2.440 1.00 0.00 O ATOM 1370 CB LYS A 83 156.892 7.285 2.526 1.00 0.00 C ATOM 1371 CG LYS A 83 157.704 6.105 3.037 1.00 0.00 C ATOM 1372 CD LYS A 83 158.867 5.786 2.110 1.00 0.00 C ATOM 1373 CE LYS A 83 160.146 6.469 2.567 1.00 0.00 C ATOM 1374 NZ LYS A 83 160.535 6.057 3.942 1.00 0.00 N ATOM 0 H LYS A 83 154.744 6.174 4.593 1.00 0.00 H new ATOM 0 HA LYS A 83 154.906 8.145 2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 83 156.994 7.343 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 83 157.308 8.206 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 83 158.083 6.327 4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 83 157.060 5.231 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 83 159.021 4.708 2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 83 158.624 6.106 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 83 160.953 6.229 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 83 160.011 7.550 2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 161.565 6.146 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 160.058 6.668 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 160.254 5.068 4.101 1.00 0.00 H new ATOM 1388 N LEU A 84 154.253 6.520 0.879 1.00 0.00 N ATOM 1389 CA LEU A 84 153.616 5.616 -0.072 1.00 0.00 C ATOM 1390 C LEU A 84 154.531 5.465 -1.283 1.00 0.00 C ATOM 1391 O LEU A 84 155.078 6.457 -1.767 1.00 0.00 O ATOM 1392 CB LEU A 84 152.256 6.167 -0.502 1.00 0.00 C ATOM 1393 CG LEU A 84 151.254 5.121 -0.986 1.00 0.00 C ATOM 1394 CD1 LEU A 84 149.833 5.657 -0.884 1.00 0.00 C ATOM 1395 CD2 LEU A 84 151.570 4.700 -2.414 1.00 0.00 C ATOM 0 H LEU A 84 154.291 7.489 0.563 1.00 0.00 H new ATOM 0 HA LEU A 84 153.454 4.644 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 84 151.818 6.705 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 84 152.412 6.894 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 84 151.335 4.243 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 84 149.132 4.899 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 84 149.612 5.906 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 84 149.736 6.551 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 84 150.846 3.954 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 84 151.518 5.569 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 84 152.573 4.274 -2.454 1.00 0.00 H new ATOM 1407 N LEU A 85 154.742 4.239 -1.750 1.00 0.00 N ATOM 1408 CA LEU A 85 155.650 4.032 -2.873 1.00 0.00 C ATOM 1409 C LEU A 85 155.274 2.838 -3.752 1.00 0.00 C ATOM 1410 O LEU A 85 154.689 3.015 -4.818 1.00 0.00 O ATOM 1411 CB LEU A 85 157.077 3.860 -2.345 1.00 0.00 C ATOM 1412 CG LEU A 85 157.184 3.269 -0.936 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.583 2.732 -0.694 1.00 0.00 C ATOM 1414 CD2 LEU A 85 156.830 4.313 0.113 1.00 0.00 C ATOM 0 H LEU A 85 154.309 3.393 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 85 155.575 4.915 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 85 157.627 3.219 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 85 157.570 4.832 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 85 156.474 2.446 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 85 158.644 2.315 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 85 158.805 1.953 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.306 3.541 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 85 156.912 3.873 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 85 157.515 5.157 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 85 155.809 4.658 -0.047 1.00 0.00 H new ATOM 1426 N ARG A 86 155.647 1.629 -3.312 1.00 0.00 N ATOM 1427 CA ARG A 86 155.389 0.399 -4.071 1.00 0.00 C ATOM 1428 C ARG A 86 154.187 0.536 -4.996 1.00 0.00 C ATOM 1429 O ARG A 86 153.157 1.093 -4.614 1.00 0.00 O ATOM 1430 CB ARG A 86 155.193 -0.787 -3.123 1.00 0.00 C ATOM 1431 CG ARG A 86 156.178 -1.921 -3.356 1.00 0.00 C ATOM 1432 CD ARG A 86 157.595 -1.523 -2.976 1.00 0.00 C ATOM 1433 NE ARG A 86 158.281 -2.582 -2.239 1.00 0.00 N ATOM 1434 CZ ARG A 86 159.605 -2.704 -2.171 1.00 0.00 C ATOM 1435 NH1 ARG A 86 160.394 -1.828 -2.784 1.00 0.00 N ATOM 1436 NH2 ARG A 86 160.144 -3.702 -1.484 1.00 0.00 N ATOM 0 H ARG A 86 156.132 1.477 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 86 156.264 0.218 -4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 86 155.289 -0.439 -2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 86 154.178 -1.169 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 86 155.876 -2.791 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 86 156.152 -2.216 -4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 86 158.159 -1.285 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 86 157.567 -0.618 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 86 157.711 -3.270 -1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 86 159.986 -1.056 -3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 86 161.408 -1.928 -2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 86 159.544 -4.376 -1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 86 161.158 -3.796 -1.432 1.00 0.00 H new ATOM 1450 N PHE A 87 154.335 0.031 -6.218 1.00 0.00 N ATOM 1451 CA PHE A 87 153.272 0.095 -7.213 1.00 0.00 C ATOM 1452 C PHE A 87 153.554 -0.861 -8.370 1.00 0.00 C ATOM 1453 O PHE A 87 153.451 -0.486 -9.538 1.00 0.00 O ATOM 1454 CB PHE A 87 153.127 1.524 -7.739 1.00 0.00 C ATOM 1455 CG PHE A 87 151.700 1.961 -7.896 1.00 0.00 C ATOM 1456 CD1 PHE A 87 150.808 1.840 -6.844 1.00 0.00 C ATOM 1457 CD2 PHE A 87 151.252 2.494 -9.093 1.00 0.00 C ATOM 1458 CE1 PHE A 87 149.493 2.240 -6.984 1.00 0.00 C ATOM 1459 CE2 PHE A 87 149.938 2.897 -9.239 1.00 0.00 C ATOM 1460 CZ PHE A 87 149.058 2.770 -8.183 1.00 0.00 C ATOM 0 H PHE A 87 155.186 -0.429 -6.543 1.00 0.00 H new ATOM 0 HA PHE A 87 152.339 -0.206 -6.736 1.00 0.00 H new ATOM 0 HB2 PHE A 87 153.635 2.207 -7.058 1.00 0.00 H new ATOM 0 HB3 PHE A 87 153.631 1.601 -8.703 1.00 0.00 H new ATOM 0 HD1 PHE A 87 151.144 1.428 -5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 87 151.937 2.596 -9.922 1.00 0.00 H new ATOM 0 HE1 PHE A 87 148.806 2.138 -6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 87 149.600 3.311 -10.178 1.00 0.00 H new ATOM 0 HZ PHE A 87 148.031 3.085 -8.294 1.00 0.00 H new ATOM 1470 N ASN A 88 153.910 -2.096 -8.035 1.00 0.00 N ATOM 1471 CA ASN A 88 154.207 -3.108 -9.042 1.00 0.00 C ATOM 1472 C ASN A 88 153.894 -4.506 -8.518 1.00 0.00 C ATOM 1473 O ASN A 88 154.380 -4.905 -7.459 1.00 0.00 O ATOM 1474 CB ASN A 88 155.677 -3.025 -9.462 1.00 0.00 C ATOM 1475 CG ASN A 88 156.622 -3.148 -8.283 1.00 0.00 C ATOM 1476 OD1 ASN A 88 156.202 -3.095 -7.127 1.00 0.00 O ATOM 1477 ND2 ASN A 88 157.908 -3.313 -8.571 1.00 0.00 N ATOM 0 H ASN A 88 154.000 -2.421 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 88 153.577 -2.916 -9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 88 155.892 -3.816 -10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 88 155.854 -2.077 -9.969 1.00 0.00 H new ATOM 0 HD21 ASN A 88 158.592 -3.402 -7.819 1.00 0.00 H new ATOM 0 HD22 ASN A 88 158.212 -3.351 -9.544 1.00 0.00 H new