USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 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 63 LYS NZ :NH3+ 136:sc= -2.44! (180deg=-3.28!) USER MOD Set 1.2: A 96 HIS :FLIP no HD1:sc= -13.6! C(o=-18!,f=-16!) USER MOD Set 2.1: A 53 GLN : amide:sc= 0.121 K(o=-3.6,f=-5.5) USER MOD Set 2.2: A 59 ASN :FLIP amide:sc= -4.98! C(o=-8!,f=-3.6!) USER MOD Set 2.3: A 61 TYR OH : rot 18:sc= 1.23 USER MOD Set 3.1: A 36 THR OG1 : rot -170:sc= 0.0605 USER MOD Set 3.2: A 37 ASN : amide:sc= -3.76! C(o=-5.1!,f=-9.9!) USER MOD Set 3.3: A 40 TYR OH : rot 80:sc= -1.41! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= -1.18 (180deg=-1.4) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.894! USER MOD Single : A 22 GLN : amide:sc= -5.9! C(o=-5.9!,f=-6.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= -0.0948 (180deg=-0.864) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.383 F(o=-2.1,f=-0.38) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc=-0.00317 (180deg=-0.0788) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.85! C(o=-5.9!,f=-10!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc=-0.00413 (180deg=-0.315) USER MOD Single : A 52 THR OG1 : rot -98:sc= 0.687 USER MOD Single : A 58 THR OG1 : rot -23:sc= 0.675 USER MOD Single : A 60 TYR OH : rot 180:sc= -4.42! USER MOD Single : A 92 ASN : amide:sc= -0.0597 K(o=-0.06,f=-1.3!) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc=-0.00349 (180deg=-0.167) USER MOD Single : A 94 TYR OH : rot 130:sc= -2! USER MOD Single : A 95 MET CE :methyl -114:sc= -3.1! (180deg=-9.89!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 27:sc= -1.51! USER MOD Single : A 113 TYR OH : rot 121:sc= 1.06 USER MOD Single : A 114 GLN :FLIP amide:sc= -6.74! C(o=-8.2!,f=-6.7!) USER MOD Single : A 116 LYS NZ :NH3+ 155:sc= -0.125 (180deg=-0.577) USER MOD Single : A 117 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.45) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -61:sc= -0.537! USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -9.067 0.908 10.826 1.00 0.00 N ATOM 68 CA LEU A 11 -7.731 0.260 10.813 1.00 0.00 C ATOM 69 C LEU A 11 -7.706 -0.985 11.693 1.00 0.00 C ATOM 70 O LEU A 11 -7.724 -0.918 12.906 1.00 0.00 O ATOM 71 CB LEU A 11 -6.698 1.266 11.288 1.00 0.00 C ATOM 72 CG LEU A 11 -6.253 2.045 10.066 1.00 0.00 C ATOM 73 CD1 LEU A 11 -6.362 3.552 10.323 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.808 1.695 9.743 1.00 0.00 C ATOM 0 HA LEU A 11 -7.502 -0.060 9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.124 1.933 12.038 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.852 0.761 11.754 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.897 1.781 9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.039 4.097 9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.397 3.809 10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.728 3.824 11.167 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.486 2.254 8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.173 1.953 10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.729 0.627 9.542 1.00 0.00 H new ATOM 86 N SER A 12 -7.658 -2.121 11.063 1.00 0.00 N ATOM 87 CA SER A 12 -7.623 -3.414 11.812 1.00 0.00 C ATOM 88 C SER A 12 -6.195 -3.976 11.816 1.00 0.00 C ATOM 89 O SER A 12 -5.284 -3.385 11.273 1.00 0.00 O ATOM 90 CB SER A 12 -8.563 -4.414 11.139 1.00 0.00 C ATOM 91 OG SER A 12 -9.891 -4.188 11.593 1.00 0.00 O ATOM 0 H SER A 12 -7.641 -2.215 10.047 1.00 0.00 H new ATOM 0 HA SER A 12 -7.943 -3.244 12.840 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.513 -4.305 10.056 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.255 -5.433 11.372 1.00 0.00 H new ATOM 0 HG SER A 12 -10.497 -4.826 11.162 1.00 0.00 H new ATOM 97 N GLU A 13 -5.999 -5.119 12.419 1.00 0.00 N ATOM 98 CA GLU A 13 -4.642 -5.727 12.453 1.00 0.00 C ATOM 99 C GLU A 13 -4.079 -5.791 11.032 1.00 0.00 C ATOM 100 O GLU A 13 -4.702 -5.344 10.090 1.00 0.00 O ATOM 101 CB GLU A 13 -4.725 -7.142 13.032 1.00 0.00 C ATOM 102 CG GLU A 13 -3.473 -7.427 13.864 1.00 0.00 C ATOM 103 CD GLU A 13 -3.828 -7.391 15.352 1.00 0.00 C ATOM 104 OE1 GLU A 13 -4.384 -8.366 15.831 1.00 0.00 O ATOM 105 OE2 GLU A 13 -3.537 -6.391 15.987 1.00 0.00 O ATOM 0 H GLU A 13 -6.725 -5.658 12.891 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.989 -5.119 13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.617 -7.241 13.651 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.813 -7.871 12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.063 -8.402 13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.702 -6.688 13.645 1.00 0.00 H new ATOM 112 N ALA A 14 -2.906 -6.342 10.865 1.00 0.00 N ATOM 113 CA ALA A 14 -2.321 -6.423 9.493 1.00 0.00 C ATOM 114 C ALA A 14 -2.685 -7.737 8.831 1.00 0.00 C ATOM 115 O ALA A 14 -2.154 -8.775 9.171 1.00 0.00 O ATOM 116 CB ALA A 14 -0.793 -6.371 9.538 1.00 0.00 C ATOM 0 H ALA A 14 -2.332 -6.736 11.610 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.721 -5.575 8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.397 -6.432 8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.474 -5.435 9.996 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.418 -7.209 10.125 1.00 0.00 H new ATOM 122 N LYS A 15 -3.508 -7.705 7.833 1.00 0.00 N ATOM 123 CA LYS A 15 -3.783 -8.964 7.118 1.00 0.00 C ATOM 124 C LYS A 15 -2.548 -9.159 6.259 1.00 0.00 C ATOM 125 O LYS A 15 -2.038 -8.202 5.723 1.00 0.00 O ATOM 126 CB LYS A 15 -5.035 -8.828 6.248 1.00 0.00 C ATOM 127 CG LYS A 15 -6.272 -9.138 7.092 1.00 0.00 C ATOM 128 CD LYS A 15 -7.069 -7.852 7.314 1.00 0.00 C ATOM 129 CE LYS A 15 -6.473 -7.081 8.494 1.00 0.00 C ATOM 130 NZ LYS A 15 -7.523 -6.873 9.529 1.00 0.00 N ATOM 0 H LYS A 15 -3.994 -6.877 7.487 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.971 -9.803 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.102 -7.819 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.979 -9.510 5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.892 -9.881 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.975 -9.565 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.045 -7.237 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.115 -8.089 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.634 -7.633 8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.084 -6.120 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.078 -6.568 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.189 -6.142 9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.037 -7.764 9.686 1.00 0.00 H new ATOM 144 N PRO A 16 -2.057 -10.348 6.170 1.00 0.00 N ATOM 145 CA PRO A 16 -0.836 -10.580 5.403 1.00 0.00 C ATOM 146 C PRO A 16 -1.102 -10.267 3.929 1.00 0.00 C ATOM 147 O PRO A 16 -2.106 -10.665 3.373 1.00 0.00 O ATOM 148 CB PRO A 16 -0.513 -12.054 5.671 1.00 0.00 C ATOM 149 CG PRO A 16 -1.835 -12.702 6.149 1.00 0.00 C ATOM 150 CD PRO A 16 -2.668 -11.555 6.757 1.00 0.00 C ATOM 0 HA PRO A 16 0.008 -9.948 5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.143 -12.542 4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.265 -12.151 6.428 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.363 -13.172 5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.644 -13.481 6.887 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.723 -11.641 6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.609 -11.548 7.845 1.00 0.00 H new ATOM 158 N ALA A 17 -0.238 -9.508 3.305 1.00 0.00 N ATOM 159 CA ALA A 17 -0.482 -9.121 1.889 1.00 0.00 C ATOM 160 C ALA A 17 -1.014 -10.294 1.073 1.00 0.00 C ATOM 161 O ALA A 17 -0.988 -11.439 1.481 1.00 0.00 O ATOM 162 CB ALA A 17 0.800 -8.609 1.237 1.00 0.00 C ATOM 0 H ALA A 17 0.621 -9.142 3.715 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.230 -8.328 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.597 -8.332 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.162 -7.737 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.558 -9.392 1.261 1.00 0.00 H new ATOM 168 N THR A 18 -1.482 -9.981 -0.093 1.00 0.00 N ATOM 169 CA THR A 18 -2.026 -10.997 -1.022 1.00 0.00 C ATOM 170 C THR A 18 -1.699 -10.494 -2.425 1.00 0.00 C ATOM 171 O THR A 18 -0.932 -9.564 -2.551 1.00 0.00 O ATOM 172 CB THR A 18 -3.548 -11.106 -0.826 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.208 -10.236 -1.722 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.935 -10.705 0.583 1.00 0.00 C ATOM 0 H THR A 18 -1.511 -9.027 -0.454 1.00 0.00 H new ATOM 0 HA THR A 18 -1.600 -11.985 -0.850 1.00 0.00 H new ATOM 0 HB THR A 18 -3.838 -12.141 -1.009 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.177 -10.310 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.015 -10.789 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.440 -11.362 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.629 -9.675 0.765 1.00 0.00 H new ATOM 182 N PRO A 19 -2.276 -11.066 -3.447 1.00 0.00 N ATOM 183 CA PRO A 19 -2.007 -10.585 -4.803 1.00 0.00 C ATOM 184 C PRO A 19 -2.722 -9.245 -4.993 1.00 0.00 C ATOM 185 O PRO A 19 -2.358 -8.440 -5.831 1.00 0.00 O ATOM 186 CB PRO A 19 -2.565 -11.690 -5.705 1.00 0.00 C ATOM 187 CG PRO A 19 -3.585 -12.475 -4.851 1.00 0.00 C ATOM 188 CD PRO A 19 -3.224 -12.203 -3.378 1.00 0.00 C ATOM 0 HA PRO A 19 -0.955 -10.404 -5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.042 -11.266 -6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.767 -12.344 -6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.603 -12.151 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.537 -13.541 -5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.107 -11.952 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.768 -13.076 -2.911 1.00 0.00 H new ATOM 196 N GLU A 20 -3.716 -8.980 -4.185 1.00 0.00 N ATOM 197 CA GLU A 20 -4.429 -7.682 -4.303 1.00 0.00 C ATOM 198 C GLU A 20 -3.631 -6.619 -3.565 1.00 0.00 C ATOM 199 O GLU A 20 -3.482 -5.509 -4.029 1.00 0.00 O ATOM 200 CB GLU A 20 -5.832 -7.797 -3.705 1.00 0.00 C ATOM 201 CG GLU A 20 -6.871 -7.471 -4.781 1.00 0.00 C ATOM 202 CD GLU A 20 -6.729 -8.457 -5.943 1.00 0.00 C ATOM 203 OE1 GLU A 20 -5.973 -9.404 -5.801 1.00 0.00 O ATOM 204 OE2 GLU A 20 -7.378 -8.248 -6.955 1.00 0.00 O ATOM 0 H GLU A 20 -4.060 -9.604 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.525 -7.408 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.994 -8.804 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.938 -7.113 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.875 -7.529 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.733 -6.450 -5.137 1.00 0.00 H new ATOM 211 N ILE A 21 -3.088 -6.958 -2.436 1.00 0.00 N ATOM 212 CA ILE A 21 -2.263 -5.976 -1.689 1.00 0.00 C ATOM 213 C ILE A 21 -1.076 -5.622 -2.568 1.00 0.00 C ATOM 214 O ILE A 21 -0.827 -4.475 -2.888 1.00 0.00 O ATOM 215 CB ILE A 21 -1.784 -6.630 -0.395 1.00 0.00 C ATOM 216 CG1 ILE A 21 -2.962 -7.365 0.254 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.254 -5.560 0.559 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.232 -6.526 0.126 1.00 0.00 C ATOM 0 H ILE A 21 -3.179 -7.874 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.829 -5.077 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.983 -7.337 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.106 -8.334 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.747 -7.558 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.913 -6.031 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.421 -5.035 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.049 -4.850 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.065 -7.054 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.087 -5.568 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.451 -6.356 -0.928 1.00 0.00 H new ATOM 230 N GLN A 22 -0.364 -6.623 -2.982 1.00 0.00 N ATOM 231 CA GLN A 22 0.805 -6.398 -3.879 1.00 0.00 C ATOM 232 C GLN A 22 0.315 -5.720 -5.161 1.00 0.00 C ATOM 233 O GLN A 22 1.083 -5.125 -5.879 1.00 0.00 O ATOM 234 CB GLN A 22 1.467 -7.740 -4.217 1.00 0.00 C ATOM 235 CG GLN A 22 2.393 -7.589 -5.436 1.00 0.00 C ATOM 236 CD GLN A 22 3.697 -6.896 -5.024 1.00 0.00 C ATOM 237 OE1 GLN A 22 4.573 -7.520 -4.459 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.868 -5.624 -5.285 1.00 0.00 N ATOM 0 H GLN A 22 -0.539 -7.598 -2.738 1.00 0.00 H new ATOM 0 HA GLN A 22 1.538 -5.763 -3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.038 -8.097 -3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.702 -8.488 -4.424 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.611 -8.569 -5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.894 -7.009 -6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.134 -5.098 -5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.735 -5.160 -5.014 1.00 0.00 H new ATOM 247 N GLU A 23 -0.958 -5.798 -5.461 1.00 0.00 N ATOM 248 CA GLU A 23 -1.461 -5.130 -6.696 1.00 0.00 C ATOM 249 C GLU A 23 -1.553 -3.620 -6.439 1.00 0.00 C ATOM 250 O GLU A 23 -1.142 -2.818 -7.247 1.00 0.00 O ATOM 251 CB GLU A 23 -2.842 -5.682 -7.053 1.00 0.00 C ATOM 252 CG GLU A 23 -2.874 -6.070 -8.535 1.00 0.00 C ATOM 253 CD GLU A 23 -3.966 -5.272 -9.252 1.00 0.00 C ATOM 254 OE1 GLU A 23 -3.922 -4.055 -9.188 1.00 0.00 O ATOM 255 OE2 GLU A 23 -4.825 -5.894 -9.855 1.00 0.00 O ATOM 0 H GLU A 23 -1.662 -6.290 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.780 -5.321 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.068 -6.550 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.608 -4.935 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.905 -5.873 -8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.064 -7.138 -8.637 1.00 0.00 H new ATOM 262 N ILE A 24 -2.062 -3.240 -5.300 1.00 0.00 N ATOM 263 CA ILE A 24 -2.164 -1.791 -4.937 1.00 0.00 C ATOM 264 C ILE A 24 -0.783 -1.176 -5.038 1.00 0.00 C ATOM 265 O ILE A 24 -0.571 -0.172 -5.688 1.00 0.00 O ATOM 266 CB ILE A 24 -2.658 -1.700 -3.493 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.142 -2.057 -3.445 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.466 -0.283 -2.960 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.406 -2.943 -2.230 1.00 0.00 C ATOM 0 H ILE A 24 -2.419 -3.881 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.850 -1.266 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.087 -2.394 -2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.745 -1.151 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.433 -2.576 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.821 -0.230 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.408 -0.022 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.031 0.417 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.464 -3.201 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.813 -3.854 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.129 -2.407 -1.322 1.00 0.00 H new ATOM 281 N VAL A 25 0.150 -1.785 -4.388 1.00 0.00 N ATOM 282 CA VAL A 25 1.534 -1.287 -4.402 1.00 0.00 C ATOM 283 C VAL A 25 2.119 -1.442 -5.791 1.00 0.00 C ATOM 284 O VAL A 25 2.826 -0.596 -6.287 1.00 0.00 O ATOM 285 CB VAL A 25 2.316 -2.152 -3.457 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.277 -3.557 -3.989 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.750 -1.701 -3.421 1.00 0.00 C ATOM 0 H VAL A 25 0.006 -2.629 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 25 1.569 -0.236 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 25 1.891 -2.091 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.838 -4.214 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.243 -3.896 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.722 -3.582 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.313 -2.332 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.181 -1.778 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.797 -0.665 -3.084 1.00 0.00 H new ATOM 297 N ASP A 26 1.815 -2.534 -6.408 1.00 0.00 N ATOM 298 CA ASP A 26 2.328 -2.789 -7.779 1.00 0.00 C ATOM 299 C ASP A 26 1.607 -1.841 -8.722 1.00 0.00 C ATOM 300 O ASP A 26 1.966 -1.682 -9.872 1.00 0.00 O ATOM 301 CB ASP A 26 2.043 -4.237 -8.184 1.00 0.00 C ATOM 302 CG ASP A 26 2.681 -4.521 -9.545 1.00 0.00 C ATOM 303 OD1 ASP A 26 3.872 -4.782 -9.575 1.00 0.00 O ATOM 304 OD2 ASP A 26 1.968 -4.472 -10.533 1.00 0.00 O ATOM 0 H ASP A 26 1.227 -3.273 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 26 3.405 -2.628 -7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.441 -4.921 -7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.967 -4.407 -8.232 1.00 0.00 H new ATOM 309 N LYS A 27 0.590 -1.198 -8.223 1.00 0.00 N ATOM 310 CA LYS A 27 -0.171 -0.235 -9.066 1.00 0.00 C ATOM 311 C LYS A 27 0.294 1.178 -8.725 1.00 0.00 C ATOM 312 O LYS A 27 0.075 2.115 -9.467 1.00 0.00 O ATOM 313 CB LYS A 27 -1.671 -0.360 -8.777 1.00 0.00 C ATOM 314 CG LYS A 27 -2.469 0.026 -10.024 1.00 0.00 C ATOM 315 CD LYS A 27 -3.251 -1.191 -10.525 1.00 0.00 C ATOM 316 CE LYS A 27 -2.946 -1.421 -12.006 1.00 0.00 C ATOM 317 NZ LYS A 27 -3.249 -2.836 -12.360 1.00 0.00 N ATOM 0 H LYS A 27 0.252 -1.298 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 27 0.005 -0.448 -10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.911 -1.381 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.946 0.286 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.154 0.842 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.796 0.385 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.980 -2.074 -9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.320 -1.033 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.541 -0.745 -12.620 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.899 -1.199 -12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.042 -2.994 -13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.663 -3.472 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.254 -3.032 -12.178 1.00 0.00 H new ATOM 331 N VAL A 28 0.928 1.336 -7.596 1.00 0.00 N ATOM 332 CA VAL A 28 1.401 2.687 -7.191 1.00 0.00 C ATOM 333 C VAL A 28 2.936 2.715 -7.109 1.00 0.00 C ATOM 334 O VAL A 28 3.526 3.726 -6.786 1.00 0.00 O ATOM 335 CB VAL A 28 0.800 3.032 -5.831 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.730 2.935 -5.908 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.322 2.048 -4.788 1.00 0.00 C ATOM 0 H VAL A 28 1.138 0.587 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 28 1.084 3.420 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 28 1.083 4.047 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.160 3.181 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.102 3.634 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.017 1.920 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.896 2.290 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.035 1.034 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.409 2.116 -4.735 1.00 0.00 H new ATOM 347 N LYS A 29 3.590 1.621 -7.418 1.00 0.00 N ATOM 348 CA LYS A 29 5.078 1.600 -7.379 1.00 0.00 C ATOM 349 C LYS A 29 5.639 2.691 -8.314 1.00 0.00 C ATOM 350 O LYS A 29 6.587 3.358 -7.952 1.00 0.00 O ATOM 351 CB LYS A 29 5.579 0.181 -7.753 1.00 0.00 C ATOM 352 CG LYS A 29 6.284 0.142 -9.120 1.00 0.00 C ATOM 353 CD LYS A 29 7.793 0.281 -8.920 1.00 0.00 C ATOM 354 CE LYS A 29 8.521 -0.257 -10.153 1.00 0.00 C ATOM 355 NZ LYS A 29 8.312 -1.729 -10.253 1.00 0.00 N ATOM 0 H LYS A 29 3.152 0.742 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 29 5.438 1.823 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.266 -0.172 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.734 -0.507 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.059 -0.794 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.915 0.948 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.055 1.327 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.105 -0.268 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.149 0.235 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.586 -0.034 -10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.129 -2.164 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.211 -2.131 -9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.450 -1.921 -10.803 1.00 0.00 H new ATOM 369 N PRO A 30 5.034 2.878 -9.475 1.00 0.00 N ATOM 370 CA PRO A 30 5.479 3.921 -10.411 1.00 0.00 C ATOM 371 C PRO A 30 4.965 5.265 -9.905 1.00 0.00 C ATOM 372 O PRO A 30 5.634 6.275 -9.992 1.00 0.00 O ATOM 373 CB PRO A 30 4.839 3.524 -11.743 1.00 0.00 C ATOM 374 CG PRO A 30 3.635 2.620 -11.395 1.00 0.00 C ATOM 375 CD PRO A 30 3.874 2.094 -9.966 1.00 0.00 C ATOM 0 HA PRO A 30 6.561 4.011 -10.511 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.516 4.405 -12.297 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.553 2.995 -12.374 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.702 3.180 -11.450 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.553 1.795 -12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.998 2.244 -9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.088 1.025 -9.966 1.00 0.00 H new ATOM 383 N GLN A 31 3.793 5.270 -9.328 1.00 0.00 N ATOM 384 CA GLN A 31 3.254 6.531 -8.760 1.00 0.00 C ATOM 385 C GLN A 31 4.139 6.915 -7.577 1.00 0.00 C ATOM 386 O GLN A 31 4.106 8.024 -7.091 1.00 0.00 O ATOM 387 CB GLN A 31 1.821 6.309 -8.266 1.00 0.00 C ATOM 388 CG GLN A 31 0.855 6.388 -9.449 1.00 0.00 C ATOM 389 CD GLN A 31 -0.585 6.332 -8.937 1.00 0.00 C ATOM 390 OE1 GLN A 31 -1.031 5.233 -8.394 1.00 0.00 O flip ATOM 391 NE2 GLN A 31 -1.314 7.300 -9.034 1.00 0.00 N flip ATOM 0 H GLN A 31 3.189 4.454 -9.227 1.00 0.00 H new ATOM 0 HA GLN A 31 3.246 7.316 -9.516 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.739 5.337 -7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.562 7.061 -7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.019 7.311 -10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.039 5.564 -10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.966 8.160 -9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.273 7.252 -8.691 1.00 0.00 H new ATOM 400 N LEU A 32 4.931 5.984 -7.112 1.00 0.00 N ATOM 401 CA LEU A 32 5.829 6.253 -5.960 1.00 0.00 C ATOM 402 C LEU A 32 7.175 6.776 -6.471 1.00 0.00 C ATOM 403 O LEU A 32 7.817 7.596 -5.846 1.00 0.00 O ATOM 404 CB LEU A 32 6.037 4.949 -5.199 1.00 0.00 C ATOM 405 CG LEU A 32 4.908 4.793 -4.187 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.643 3.314 -3.962 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.303 5.448 -2.862 1.00 0.00 C ATOM 0 H LEU A 32 4.991 5.038 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 32 5.387 7.002 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.046 4.105 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.002 4.956 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 32 4.009 5.276 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.836 3.195 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.357 2.848 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.546 2.837 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.492 5.333 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.202 4.970 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.497 6.508 -3.024 1.00 0.00 H new ATOM 419 N GLU A 33 7.603 6.296 -7.605 1.00 0.00 N ATOM 420 CA GLU A 33 8.905 6.743 -8.175 1.00 0.00 C ATOM 421 C GLU A 33 8.933 8.268 -8.311 1.00 0.00 C ATOM 422 O GLU A 33 9.833 8.927 -7.829 1.00 0.00 O ATOM 423 CB GLU A 33 9.086 6.121 -9.562 1.00 0.00 C ATOM 424 CG GLU A 33 10.057 4.942 -9.481 1.00 0.00 C ATOM 425 CD GLU A 33 9.496 3.763 -10.279 1.00 0.00 C ATOM 426 OE1 GLU A 33 9.254 3.935 -11.462 1.00 0.00 O ATOM 427 OE2 GLU A 33 9.316 2.709 -9.693 1.00 0.00 O ATOM 0 H GLU A 33 7.102 5.607 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 33 9.708 6.428 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.124 5.785 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.465 6.869 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.031 5.231 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.208 4.652 -8.441 1.00 0.00 H new ATOM 434 N GLU A 34 7.974 8.831 -8.993 1.00 0.00 N ATOM 435 CA GLU A 34 7.971 10.311 -9.190 1.00 0.00 C ATOM 436 C GLU A 34 7.206 11.018 -8.066 1.00 0.00 C ATOM 437 O GLU A 34 7.226 12.229 -7.968 1.00 0.00 O ATOM 438 CB GLU A 34 7.314 10.636 -10.534 1.00 0.00 C ATOM 439 CG GLU A 34 8.276 10.282 -11.671 1.00 0.00 C ATOM 440 CD GLU A 34 7.822 10.974 -12.958 1.00 0.00 C ATOM 441 OE1 GLU A 34 7.209 12.023 -12.860 1.00 0.00 O ATOM 442 OE2 GLU A 34 8.097 10.442 -14.022 1.00 0.00 O ATOM 0 H GLU A 34 7.194 8.333 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 34 9.002 10.664 -9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.385 10.076 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.055 11.694 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.289 10.594 -11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.303 9.202 -11.816 1.00 0.00 H new ATOM 449 N LYS A 35 6.535 10.291 -7.217 1.00 0.00 N ATOM 450 CA LYS A 35 5.786 10.960 -6.114 1.00 0.00 C ATOM 451 C LYS A 35 6.683 11.074 -4.880 1.00 0.00 C ATOM 452 O LYS A 35 6.254 11.504 -3.828 1.00 0.00 O ATOM 453 CB LYS A 35 4.540 10.145 -5.765 1.00 0.00 C ATOM 454 CG LYS A 35 3.770 10.840 -4.642 1.00 0.00 C ATOM 455 CD LYS A 35 2.277 10.844 -4.975 1.00 0.00 C ATOM 456 CE LYS A 35 1.633 12.113 -4.414 1.00 0.00 C ATOM 457 NZ LYS A 35 1.962 13.270 -5.294 1.00 0.00 N ATOM 0 H LYS A 35 6.472 9.273 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 35 5.485 11.956 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.904 10.039 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.826 9.140 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.941 10.326 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.129 11.862 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.134 10.798 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.797 9.962 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.552 11.987 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.992 12.299 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.322 14.061 -5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.945 13.565 -5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.849 12.992 -6.290 1.00 0.00 H new ATOM 471 N THR A 36 7.926 10.698 -5.001 1.00 0.00 N ATOM 472 CA THR A 36 8.846 10.794 -3.836 1.00 0.00 C ATOM 473 C THR A 36 10.146 11.473 -4.272 1.00 0.00 C ATOM 474 O THR A 36 10.521 12.485 -3.722 1.00 0.00 O ATOM 475 CB THR A 36 9.149 9.391 -3.301 1.00 0.00 C ATOM 476 OG1 THR A 36 10.104 8.757 -4.139 1.00 0.00 O ATOM 477 CG2 THR A 36 7.865 8.563 -3.276 1.00 0.00 C ATOM 0 H THR A 36 8.343 10.329 -5.856 1.00 0.00 H new ATOM 0 HA THR A 36 8.376 11.382 -3.048 1.00 0.00 H new ATOM 0 HB THR A 36 9.549 9.470 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.177 7.811 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.083 7.565 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.133 9.046 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.462 8.486 -4.286 1.00 0.00 H new ATOM 485 N ASN A 37 10.803 10.915 -5.270 1.00 0.00 N ATOM 486 CA ASN A 37 12.092 11.483 -5.816 1.00 0.00 C ATOM 487 C ASN A 37 13.121 10.358 -6.001 1.00 0.00 C ATOM 488 O ASN A 37 14.308 10.605 -6.068 1.00 0.00 O ATOM 489 CB ASN A 37 12.701 12.539 -4.882 1.00 0.00 C ATOM 490 CG ASN A 37 12.979 11.922 -3.509 1.00 0.00 C ATOM 491 OD1 ASN A 37 12.773 10.743 -3.307 1.00 0.00 O ATOM 492 ND2 ASN A 37 13.442 12.677 -2.550 1.00 0.00 N ATOM 0 H ASN A 37 10.492 10.066 -5.743 1.00 0.00 H new ATOM 0 HA ASN A 37 11.853 11.955 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.626 12.926 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.019 13.383 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.631 12.276 -1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.615 13.668 -2.719 1.00 0.00 H new ATOM 499 N GLU A 38 12.686 9.128 -6.085 1.00 0.00 N ATOM 500 CA GLU A 38 13.654 8.007 -6.265 1.00 0.00 C ATOM 501 C GLU A 38 12.987 6.882 -7.055 1.00 0.00 C ATOM 502 O GLU A 38 11.849 6.989 -7.468 1.00 0.00 O ATOM 503 CB GLU A 38 14.089 7.477 -4.896 1.00 0.00 C ATOM 504 CG GLU A 38 12.901 6.809 -4.194 1.00 0.00 C ATOM 505 CD GLU A 38 13.418 5.755 -3.212 1.00 0.00 C ATOM 506 OE1 GLU A 38 14.142 4.874 -3.647 1.00 0.00 O ATOM 507 OE2 GLU A 38 13.080 5.845 -2.043 1.00 0.00 O ATOM 0 H GLU A 38 11.705 8.852 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 38 14.528 8.368 -6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.902 6.761 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.471 8.294 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.310 7.556 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.244 6.345 -4.929 1.00 0.00 H new ATOM 514 N THR A 39 13.684 5.801 -7.265 1.00 0.00 N ATOM 515 CA THR A 39 13.086 4.670 -8.023 1.00 0.00 C ATOM 516 C THR A 39 13.006 3.436 -7.125 1.00 0.00 C ATOM 517 O THR A 39 14.006 2.925 -6.662 1.00 0.00 O ATOM 518 CB THR A 39 13.953 4.345 -9.237 1.00 0.00 C ATOM 519 OG1 THR A 39 14.871 5.405 -9.462 1.00 0.00 O ATOM 520 CG2 THR A 39 13.065 4.163 -10.468 1.00 0.00 C ATOM 0 H THR A 39 14.641 5.653 -6.945 1.00 0.00 H new ATOM 0 HA THR A 39 12.086 4.953 -8.352 1.00 0.00 H new ATOM 0 HB THR A 39 14.504 3.423 -9.052 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.428 5.195 -10.240 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.686 3.931 -11.333 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.365 3.346 -10.294 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.510 5.082 -10.655 1.00 0.00 H new ATOM 528 N TYR A 40 11.824 2.949 -6.884 1.00 0.00 N ATOM 529 CA TYR A 40 11.676 1.741 -6.026 1.00 0.00 C ATOM 530 C TYR A 40 11.714 0.494 -6.913 1.00 0.00 C ATOM 531 O TYR A 40 11.823 0.584 -8.120 1.00 0.00 O ATOM 532 CB TYR A 40 10.335 1.791 -5.288 1.00 0.00 C ATOM 533 CG TYR A 40 10.231 3.067 -4.484 1.00 0.00 C ATOM 534 CD1 TYR A 40 10.680 3.100 -3.157 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.670 4.213 -5.060 1.00 0.00 C ATOM 536 CE1 TYR A 40 10.569 4.279 -2.411 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.561 5.392 -4.314 1.00 0.00 C ATOM 538 CZ TYR A 40 10.009 5.425 -2.988 1.00 0.00 C ATOM 539 OH TYR A 40 9.897 6.585 -2.250 1.00 0.00 O ATOM 0 H TYR A 40 10.951 3.335 -7.244 1.00 0.00 H new ATOM 0 HA TYR A 40 12.487 1.709 -5.299 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.515 1.735 -6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.242 0.928 -4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.111 2.216 -2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.321 4.187 -6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.916 4.305 -1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.131 6.276 -4.761 1.00 0.00 H new ATOM 0 HH TYR A 40 10.762 7.046 -2.232 1.00 0.00 H new ATOM 549 N GLY A 43 11.618 -0.668 -6.328 1.00 0.00 N ATOM 550 CA GLY A 43 11.643 -1.917 -7.144 1.00 0.00 C ATOM 551 C GLY A 43 10.470 -2.811 -6.737 1.00 0.00 C ATOM 552 O GLY A 43 9.578 -2.383 -6.032 1.00 0.00 O ATOM 0 H GLY A 43 11.523 -0.808 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.579 -1.673 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.585 -2.444 -6.995 1.00 0.00 H new ATOM 556 N LYS A 44 10.468 -4.048 -7.174 1.00 0.00 N ATOM 557 CA LYS A 44 9.360 -4.981 -6.813 1.00 0.00 C ATOM 558 C LYS A 44 8.930 -4.719 -5.375 1.00 0.00 C ATOM 559 O LYS A 44 9.742 -4.696 -4.473 1.00 0.00 O ATOM 560 CB LYS A 44 9.851 -6.425 -6.922 1.00 0.00 C ATOM 561 CG LYS A 44 9.799 -6.882 -8.381 1.00 0.00 C ATOM 562 CD LYS A 44 11.210 -6.863 -8.971 1.00 0.00 C ATOM 563 CE LYS A 44 11.663 -8.295 -9.259 1.00 0.00 C ATOM 564 NZ LYS A 44 12.212 -8.906 -8.015 1.00 0.00 N ATOM 0 H LYS A 44 11.192 -4.451 -7.769 1.00 0.00 H new ATOM 0 HA LYS A 44 8.521 -4.823 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.870 -6.502 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.232 -7.077 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.380 -7.886 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.144 -6.227 -8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.224 -6.275 -9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.900 -6.385 -8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.824 -8.886 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.421 -8.297 -10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.519 -9.880 -8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.024 -8.347 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.476 -8.918 -7.280 1.00 0.00 H new ATOM 578 N LEU A 45 7.667 -4.512 -5.146 1.00 0.00 N ATOM 579 CA LEU A 45 7.220 -4.246 -3.766 1.00 0.00 C ATOM 580 C LEU A 45 6.576 -5.513 -3.207 1.00 0.00 C ATOM 581 O LEU A 45 5.373 -5.664 -3.187 1.00 0.00 O ATOM 582 CB LEU A 45 6.256 -3.070 -3.813 1.00 0.00 C ATOM 583 CG LEU A 45 6.981 -1.931 -4.540 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.099 -0.674 -4.614 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.286 -1.632 -3.785 1.00 0.00 C ATOM 0 H LEU A 45 6.932 -4.516 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 45 8.047 -3.985 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.340 -3.342 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.969 -2.765 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 45 7.202 -2.232 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.637 0.118 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.181 -0.905 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.852 -0.343 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.819 -0.824 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.055 -1.335 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.911 -2.525 -3.771 1.00 0.00 H new ATOM 597 N GLU A 46 7.394 -6.437 -2.771 1.00 0.00 N ATOM 598 CA GLU A 46 6.868 -7.729 -2.231 1.00 0.00 C ATOM 599 C GLU A 46 6.002 -7.471 -1.002 1.00 0.00 C ATOM 600 O GLU A 46 6.462 -7.547 0.118 1.00 0.00 O ATOM 601 CB GLU A 46 8.038 -8.638 -1.846 1.00 0.00 C ATOM 602 CG GLU A 46 8.266 -9.668 -2.954 1.00 0.00 C ATOM 603 CD GLU A 46 9.765 -9.807 -3.226 1.00 0.00 C ATOM 604 OE1 GLU A 46 10.529 -9.088 -2.604 1.00 0.00 O ATOM 605 OE2 GLU A 46 10.123 -10.630 -4.053 1.00 0.00 O ATOM 0 H GLU A 46 8.410 -6.352 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 46 6.264 -8.213 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.940 -8.045 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.826 -9.142 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.849 -10.631 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.748 -9.360 -3.863 1.00 0.00 H new ATOM 612 N ALA A 47 4.750 -7.176 -1.201 1.00 0.00 N ATOM 613 CA ALA A 47 3.858 -6.913 -0.043 1.00 0.00 C ATOM 614 C ALA A 47 4.104 -7.943 1.047 1.00 0.00 C ATOM 615 O ALA A 47 4.415 -9.091 0.796 1.00 0.00 O ATOM 616 CB ALA A 47 2.406 -6.961 -0.497 1.00 0.00 C ATOM 0 H ALA A 47 4.306 -7.106 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 47 4.072 -5.923 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.752 -6.768 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.239 -6.203 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.186 -7.946 -0.908 1.00 0.00 H new ATOM 622 N VAL A 48 3.976 -7.512 2.259 1.00 0.00 N ATOM 623 CA VAL A 48 4.204 -8.397 3.422 1.00 0.00 C ATOM 624 C VAL A 48 2.945 -8.375 4.267 1.00 0.00 C ATOM 625 O VAL A 48 2.449 -9.392 4.710 1.00 0.00 O ATOM 626 CB VAL A 48 5.401 -7.831 4.204 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.172 -7.921 5.719 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.660 -8.610 3.832 1.00 0.00 C ATOM 0 H VAL A 48 3.715 -6.556 2.500 1.00 0.00 H new ATOM 0 HA VAL A 48 4.420 -9.425 3.129 1.00 0.00 H new ATOM 0 HB VAL A 48 5.516 -6.780 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.036 -7.513 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.283 -7.351 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.034 -8.964 6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.511 -8.212 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.525 -9.662 4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.845 -8.514 2.762 1.00 0.00 H new ATOM 638 N GLN A 49 2.422 -7.212 4.475 1.00 0.00 N ATOM 639 CA GLN A 49 1.175 -7.099 5.277 1.00 0.00 C ATOM 640 C GLN A 49 0.416 -5.873 4.810 1.00 0.00 C ATOM 641 O GLN A 49 0.923 -5.081 4.044 1.00 0.00 O ATOM 642 CB GLN A 49 1.509 -6.992 6.771 1.00 0.00 C ATOM 643 CG GLN A 49 1.955 -5.572 7.123 1.00 0.00 C ATOM 644 CD GLN A 49 2.013 -5.426 8.645 1.00 0.00 C ATOM 645 OE1 GLN A 49 1.936 -4.331 9.165 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.146 -6.493 9.386 1.00 0.00 N ATOM 0 H GLN A 49 2.799 -6.330 4.127 1.00 0.00 H new ATOM 0 HA GLN A 49 0.560 -7.988 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.636 -7.262 7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.298 -7.700 7.024 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.933 -5.367 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.261 -4.845 6.702 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.211 -7.412 8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.185 -6.407 10.402 1.00 0.00 H new ATOM 655 N TYR A 50 -0.796 -5.705 5.234 1.00 0.00 N ATOM 656 CA TYR A 50 -1.543 -4.527 4.776 1.00 0.00 C ATOM 657 C TYR A 50 -2.746 -4.267 5.661 1.00 0.00 C ATOM 658 O TYR A 50 -3.517 -5.152 5.978 1.00 0.00 O ATOM 659 CB TYR A 50 -2.006 -4.752 3.364 1.00 0.00 C ATOM 660 CG TYR A 50 -3.142 -5.747 3.330 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.896 -7.106 3.563 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.445 -5.308 3.065 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.953 -8.024 3.529 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.501 -6.226 3.031 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.255 -7.584 3.263 1.00 0.00 C ATOM 666 OH TYR A 50 -6.297 -8.489 3.230 1.00 0.00 O ATOM 0 H TYR A 50 -1.293 -6.328 5.871 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.884 -3.660 4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.329 -3.807 2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.177 -5.117 2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.892 -7.446 3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.635 -4.260 2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.764 -9.072 3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.505 -5.886 2.826 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.133 -8.018 3.033 1.00 0.00 H new ATOM 676 N LYS A 51 -2.914 -3.048 6.037 1.00 0.00 N ATOM 677 CA LYS A 51 -4.082 -2.688 6.886 1.00 0.00 C ATOM 678 C LYS A 51 -5.182 -2.095 5.998 1.00 0.00 C ATOM 679 O LYS A 51 -4.953 -1.173 5.247 1.00 0.00 O ATOM 680 CB LYS A 51 -3.659 -1.667 7.943 1.00 0.00 C ATOM 681 CG LYS A 51 -3.676 -2.333 9.320 1.00 0.00 C ATOM 682 CD LYS A 51 -2.433 -1.916 10.106 1.00 0.00 C ATOM 683 CE LYS A 51 -2.157 -2.947 11.202 1.00 0.00 C ATOM 684 NZ LYS A 51 -2.351 -2.315 12.537 1.00 0.00 N ATOM 0 H LYS A 51 -2.295 -2.273 5.797 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.459 -3.579 7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.661 -1.288 7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.335 -0.812 7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.576 -2.045 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.703 -3.417 9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.575 -1.840 9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.582 -0.930 10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.826 -3.800 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.139 -3.326 11.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.568 -3.050 13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.482 -1.815 12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.139 -1.638 12.489 1.00 0.00 H new ATOM 698 N THR A 52 -6.371 -2.627 6.074 1.00 0.00 N ATOM 699 CA THR A 52 -7.489 -2.102 5.231 1.00 0.00 C ATOM 700 C THR A 52 -8.598 -1.574 6.137 1.00 0.00 C ATOM 701 O THR A 52 -8.864 -2.112 7.194 1.00 0.00 O ATOM 702 CB THR A 52 -8.046 -3.231 4.367 1.00 0.00 C ATOM 703 OG1 THR A 52 -7.530 -4.473 4.822 1.00 0.00 O ATOM 704 CG2 THR A 52 -7.637 -3.002 2.912 1.00 0.00 C ATOM 0 H THR A 52 -6.620 -3.405 6.685 1.00 0.00 H new ATOM 0 HA THR A 52 -7.118 -1.299 4.593 1.00 0.00 H new ATOM 0 HB THR A 52 -9.134 -3.247 4.439 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.768 -4.735 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.033 -3.806 2.292 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.036 -2.048 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.550 -2.988 2.838 1.00 0.00 H new ATOM 712 N GLN A 53 -9.255 -0.533 5.723 1.00 0.00 N ATOM 713 CA GLN A 53 -10.359 0.029 6.546 1.00 0.00 C ATOM 714 C GLN A 53 -11.451 0.544 5.605 1.00 0.00 C ATOM 715 O GLN A 53 -11.321 0.464 4.400 1.00 0.00 O ATOM 716 CB GLN A 53 -9.831 1.159 7.436 1.00 0.00 C ATOM 717 CG GLN A 53 -8.792 1.992 6.678 1.00 0.00 C ATOM 718 CD GLN A 53 -8.910 3.456 7.104 1.00 0.00 C ATOM 719 OE1 GLN A 53 -7.916 4.122 7.314 1.00 0.00 O ATOM 720 NE2 GLN A 53 -10.094 3.990 7.243 1.00 0.00 N ATOM 0 H GLN A 53 -9.076 -0.043 4.846 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.773 -0.742 7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.656 1.796 7.754 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.384 0.742 8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.789 1.620 6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.949 1.900 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.929 3.432 7.067 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.183 4.965 7.528 1.00 0.00 H new ATOM 729 N VAL A 54 -12.538 1.040 6.129 1.00 0.00 N ATOM 730 CA VAL A 54 -13.628 1.510 5.228 1.00 0.00 C ATOM 731 C VAL A 54 -13.979 2.986 5.487 1.00 0.00 C ATOM 732 O VAL A 54 -13.720 3.534 6.540 1.00 0.00 O ATOM 733 CB VAL A 54 -14.854 0.614 5.439 1.00 0.00 C ATOM 734 CG1 VAL A 54 -15.870 1.300 6.346 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.504 0.318 4.086 1.00 0.00 C ATOM 0 H VAL A 54 -12.718 1.140 7.128 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.291 1.443 4.193 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.532 -0.314 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -16.733 0.649 6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -15.413 1.506 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -16.191 2.236 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.376 -0.319 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.812 1.253 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.787 -0.191 3.442 1.00 0.00 H new ATOM 745 N VAL A 55 -14.586 3.613 4.513 1.00 0.00 N ATOM 746 CA VAL A 55 -14.997 5.043 4.641 1.00 0.00 C ATOM 747 C VAL A 55 -15.870 5.386 3.428 1.00 0.00 C ATOM 748 O VAL A 55 -17.013 4.986 3.343 1.00 0.00 O ATOM 749 CB VAL A 55 -13.757 5.939 4.658 1.00 0.00 C ATOM 750 CG1 VAL A 55 -13.244 6.084 6.091 1.00 0.00 C ATOM 751 CG2 VAL A 55 -12.671 5.308 3.783 1.00 0.00 C ATOM 0 H VAL A 55 -14.819 3.185 3.617 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.549 5.202 5.567 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.013 6.925 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.361 6.723 6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.020 6.531 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.984 5.102 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.784 5.942 3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.416 4.323 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.038 5.210 2.761 1.00 0.00 H new ATOM 761 N ALA A 56 -15.325 6.080 2.463 1.00 0.00 N ATOM 762 CA ALA A 56 -16.102 6.394 1.236 1.00 0.00 C ATOM 763 C ALA A 56 -15.650 5.401 0.168 1.00 0.00 C ATOM 764 O ALA A 56 -15.649 5.670 -1.016 1.00 0.00 O ATOM 765 CB ALA A 56 -15.791 7.819 0.789 1.00 0.00 C ATOM 0 H ALA A 56 -14.372 6.442 2.476 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.175 6.318 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.360 8.050 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.064 8.517 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.726 7.910 0.578 1.00 0.00 H new ATOM 771 N GLY A 57 -15.232 4.257 0.623 1.00 0.00 N ATOM 772 CA GLY A 57 -14.719 3.189 -0.272 1.00 0.00 C ATOM 773 C GLY A 57 -13.849 2.289 0.588 1.00 0.00 C ATOM 774 O GLY A 57 -14.325 1.608 1.474 1.00 0.00 O ATOM 0 H GLY A 57 -15.225 4.011 1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.540 2.626 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.144 3.615 -1.094 1.00 0.00 H new ATOM 778 N THR A 58 -12.577 2.317 0.372 1.00 0.00 N ATOM 779 CA THR A 58 -11.671 1.495 1.230 1.00 0.00 C ATOM 780 C THR A 58 -10.223 1.928 1.055 1.00 0.00 C ATOM 781 O THR A 58 -9.604 1.681 0.040 1.00 0.00 O ATOM 782 CB THR A 58 -11.776 0.008 0.891 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.120 -0.425 1.057 1.00 0.00 O ATOM 784 CG2 THR A 58 -10.850 -0.775 1.836 1.00 0.00 C ATOM 0 H THR A 58 -12.116 2.866 -0.354 1.00 0.00 H new ATOM 0 HA THR A 58 -11.985 1.651 2.262 1.00 0.00 H new ATOM 0 HB THR A 58 -11.478 -0.164 -0.143 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.586 0.181 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.913 -1.839 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.823 -0.435 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.157 -0.607 2.868 1.00 0.00 H new ATOM 792 N ASN A 59 -9.666 2.544 2.053 1.00 0.00 N ATOM 793 CA ASN A 59 -8.267 2.961 1.978 1.00 0.00 C ATOM 794 C ASN A 59 -7.399 1.710 2.010 1.00 0.00 C ATOM 795 O ASN A 59 -7.894 0.602 2.045 1.00 0.00 O ATOM 796 CB ASN A 59 -7.985 3.815 3.201 1.00 0.00 C ATOM 797 CG ASN A 59 -8.967 4.989 3.245 1.00 0.00 C ATOM 798 OD1 ASN A 59 -9.769 5.117 4.267 1.00 0.00 O flip ATOM 799 ND2 ASN A 59 -9.007 5.796 2.337 1.00 0.00 N flip ATOM 0 H ASN A 59 -10.138 2.775 2.927 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.058 3.525 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.079 3.215 4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.960 4.186 3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.381 5.696 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.667 6.573 2.374 1.00 0.00 H new ATOM 806 N TYR A 60 -6.115 1.871 2.024 1.00 0.00 N ATOM 807 CA TYR A 60 -5.234 0.678 2.085 1.00 0.00 C ATOM 808 C TYR A 60 -3.957 1.031 2.815 1.00 0.00 C ATOM 809 O TYR A 60 -3.489 2.149 2.790 1.00 0.00 O ATOM 810 CB TYR A 60 -4.847 0.179 0.690 1.00 0.00 C ATOM 811 CG TYR A 60 -6.073 -0.184 -0.099 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.777 0.805 -0.784 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.484 -1.517 -0.167 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.899 0.464 -1.542 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.607 -1.862 -0.919 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.316 -0.874 -1.609 1.00 0.00 C ATOM 817 OH TYR A 60 -9.421 -1.221 -2.354 1.00 0.00 O ATOM 0 H TYR A 60 -5.635 2.771 1.996 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.788 -0.105 2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.285 0.951 0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.193 -0.689 0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.455 1.834 -0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.933 -2.280 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.445 1.228 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.929 -2.892 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.568 -2.188 -2.291 1.00 0.00 H new ATOM 827 N TYR A 61 -3.386 0.056 3.430 1.00 0.00 N ATOM 828 CA TYR A 61 -2.115 0.239 4.154 1.00 0.00 C ATOM 829 C TYR A 61 -1.306 -0.986 3.808 1.00 0.00 C ATOM 830 O TYR A 61 -1.828 -2.075 3.811 1.00 0.00 O ATOM 831 CB TYR A 61 -2.388 0.300 5.656 1.00 0.00 C ATOM 832 CG TYR A 61 -3.228 1.516 5.970 1.00 0.00 C ATOM 833 CD1 TYR A 61 -4.541 1.626 5.492 1.00 0.00 C ATOM 834 CD2 TYR A 61 -2.686 2.534 6.745 1.00 0.00 C ATOM 835 CE1 TYR A 61 -5.303 2.760 5.795 1.00 0.00 C ATOM 836 CE2 TYR A 61 -3.447 3.671 7.050 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.756 3.783 6.574 1.00 0.00 C ATOM 838 OH TYR A 61 -5.509 4.900 6.875 1.00 0.00 O ATOM 0 H TYR A 61 -3.758 -0.893 3.464 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.597 1.159 3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.904 -0.604 5.979 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.447 0.344 6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.965 0.836 4.890 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.674 2.449 7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.315 2.845 5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.022 4.460 7.653 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.457 4.707 6.719 1.00 0.00 H new ATOM 848 N ILE A 62 -0.074 -0.865 3.435 1.00 0.00 N ATOM 849 CA ILE A 62 0.626 -2.102 3.034 1.00 0.00 C ATOM 850 C ILE A 62 2.116 -2.015 3.303 1.00 0.00 C ATOM 851 O ILE A 62 2.829 -1.259 2.673 1.00 0.00 O ATOM 852 CB ILE A 62 0.437 -2.344 1.532 1.00 0.00 C ATOM 853 CG1 ILE A 62 -1.051 -2.336 1.129 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.030 -3.710 1.197 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.192 -1.862 -0.326 1.00 0.00 C ATOM 0 H ILE A 62 0.463 0.001 3.390 1.00 0.00 H new ATOM 0 HA ILE A 62 0.200 -2.916 3.620 1.00 0.00 H new ATOM 0 HB ILE A 62 0.934 -1.542 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.473 -3.335 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.614 -1.678 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.909 -3.908 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.090 -3.718 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.515 -4.481 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.245 -1.858 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.787 -0.855 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.644 -2.537 -0.983 1.00 0.00 H new ATOM 867 N LYS A 63 2.609 -2.835 4.181 1.00 0.00 N ATOM 868 CA LYS A 63 4.068 -2.840 4.408 1.00 0.00 C ATOM 869 C LYS A 63 4.635 -3.687 3.278 1.00 0.00 C ATOM 870 O LYS A 63 4.498 -4.898 3.281 1.00 0.00 O ATOM 871 CB LYS A 63 4.411 -3.472 5.756 1.00 0.00 C ATOM 872 CG LYS A 63 5.907 -3.308 6.030 1.00 0.00 C ATOM 873 CD LYS A 63 6.397 -4.469 6.898 1.00 0.00 C ATOM 874 CE LYS A 63 6.253 -4.102 8.376 1.00 0.00 C ATOM 875 NZ LYS A 63 4.821 -3.824 8.680 1.00 0.00 N ATOM 0 H LYS A 63 2.070 -3.493 4.744 1.00 0.00 H new ATOM 0 HA LYS A 63 4.477 -1.830 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.831 -3.000 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.145 -4.529 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.459 -3.284 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.094 -2.359 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.821 -5.368 6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.439 -4.693 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.617 -4.917 9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.861 -3.227 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.561 -4.283 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.676 -2.797 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.225 -4.198 7.914 1.00 0.00 H new ATOM 889 N VAL A 64 5.205 -3.066 2.283 1.00 0.00 N ATOM 890 CA VAL A 64 5.711 -3.840 1.116 1.00 0.00 C ATOM 891 C VAL A 64 7.234 -3.851 1.089 1.00 0.00 C ATOM 892 O VAL A 64 7.875 -2.843 1.304 1.00 0.00 O ATOM 893 CB VAL A 64 5.222 -3.196 -0.179 1.00 0.00 C ATOM 894 CG1 VAL A 64 4.723 -4.280 -1.129 1.00 0.00 C ATOM 895 CG2 VAL A 64 4.086 -2.204 0.101 1.00 0.00 C ATOM 0 H VAL A 64 5.342 -2.057 2.228 1.00 0.00 H new ATOM 0 HA VAL A 64 5.340 -4.861 1.206 1.00 0.00 H new ATOM 0 HB VAL A 64 6.053 -2.656 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.374 -3.821 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.536 -4.971 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.902 -4.824 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.754 -1.757 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.253 -2.728 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.443 -1.421 0.769 1.00 0.00 H new ATOM 905 N ARG A 65 7.821 -4.972 0.782 1.00 0.00 N ATOM 906 CA ARG A 65 9.302 -5.019 0.694 1.00 0.00 C ATOM 907 C ARG A 65 9.709 -4.188 -0.507 1.00 0.00 C ATOM 908 O ARG A 65 9.219 -4.379 -1.599 1.00 0.00 O ATOM 909 CB ARG A 65 9.793 -6.453 0.498 1.00 0.00 C ATOM 910 CG ARG A 65 8.905 -7.428 1.273 1.00 0.00 C ATOM 911 CD ARG A 65 9.767 -8.216 2.261 1.00 0.00 C ATOM 912 NE ARG A 65 10.294 -9.444 1.601 1.00 0.00 N ATOM 913 CZ ARG A 65 11.520 -9.830 1.831 1.00 0.00 C ATOM 914 NH1 ARG A 65 12.495 -8.963 1.783 1.00 0.00 N ATOM 915 NH2 ARG A 65 11.772 -11.080 2.113 1.00 0.00 N ATOM 0 H ARG A 65 7.342 -5.852 0.590 1.00 0.00 H new ATOM 0 HA ARG A 65 9.739 -4.635 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.784 -6.706 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.825 -6.541 0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.125 -6.884 1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.405 -8.109 0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.593 -7.597 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.178 -8.487 3.137 1.00 0.00 H new ATOM 0 HE ARG A 65 9.698 -9.982 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.298 -7.986 1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.453 -9.263 1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.010 -11.757 2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.731 -11.379 2.292 1.00 0.00 H new ATOM 929 N ALA A 66 10.595 -3.262 -0.302 1.00 0.00 N ATOM 930 CA ALA A 66 11.051 -2.381 -1.409 1.00 0.00 C ATOM 931 C ALA A 66 12.186 -3.062 -2.151 1.00 0.00 C ATOM 932 O ALA A 66 13.207 -2.474 -2.447 1.00 0.00 O ATOM 933 CB ALA A 66 11.544 -1.069 -0.823 1.00 0.00 C ATOM 0 H ALA A 66 11.031 -3.074 0.601 1.00 0.00 H new ATOM 0 HA ALA A 66 10.228 -2.190 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.881 -0.415 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.733 -0.586 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.373 -1.263 -0.142 1.00 0.00 H new ATOM 939 N GLY A 67 12.002 -4.302 -2.441 1.00 0.00 N ATOM 940 CA GLY A 67 13.054 -5.073 -3.164 1.00 0.00 C ATOM 941 C GLY A 67 14.154 -5.477 -2.180 1.00 0.00 C ATOM 942 O GLY A 67 14.069 -6.495 -1.523 1.00 0.00 O ATOM 0 H GLY A 67 11.161 -4.832 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.619 -5.960 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.474 -4.470 -3.969 1.00 0.00 H new ATOM 946 N ASP A 68 15.190 -4.690 -2.076 1.00 0.00 N ATOM 947 CA ASP A 68 16.293 -5.026 -1.144 1.00 0.00 C ATOM 948 C ASP A 68 15.733 -5.203 0.271 1.00 0.00 C ATOM 949 O ASP A 68 14.544 -5.360 0.462 1.00 0.00 O ATOM 950 CB ASP A 68 17.326 -3.898 -1.150 1.00 0.00 C ATOM 951 CG ASP A 68 16.636 -2.576 -0.811 1.00 0.00 C ATOM 952 OD1 ASP A 68 15.449 -2.468 -1.072 1.00 0.00 O ATOM 953 OD2 ASP A 68 17.304 -1.696 -0.296 1.00 0.00 O ATOM 0 H ASP A 68 15.316 -3.825 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 68 16.768 -5.954 -1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.113 -4.107 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.803 -3.832 -2.128 1.00 0.00 H new ATOM 958 N ASN A 92 16.580 -5.176 1.264 1.00 0.00 N ATOM 959 CA ASN A 92 16.092 -5.341 2.663 1.00 0.00 C ATOM 960 C ASN A 92 15.288 -4.106 3.076 1.00 0.00 C ATOM 961 O ASN A 92 14.625 -4.099 4.094 1.00 0.00 O ATOM 962 CB ASN A 92 17.287 -5.517 3.603 1.00 0.00 C ATOM 963 CG ASN A 92 16.853 -6.309 4.836 1.00 0.00 C ATOM 964 OD1 ASN A 92 15.674 -6.448 5.099 1.00 0.00 O ATOM 965 ND2 ASN A 92 17.761 -6.839 5.609 1.00 0.00 N ATOM 0 H ASN A 92 17.587 -5.047 1.167 1.00 0.00 H new ATOM 0 HA ASN A 92 15.453 -6.222 2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 92 18.094 -6.038 3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.675 -4.543 3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 92 17.482 -7.370 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 92 18.750 -6.722 5.388 1.00 0.00 H new ATOM 972 N LYS A 93 15.334 -3.064 2.291 1.00 0.00 N ATOM 973 CA LYS A 93 14.563 -1.836 2.640 1.00 0.00 C ATOM 974 C LYS A 93 13.070 -2.120 2.473 1.00 0.00 C ATOM 975 O LYS A 93 12.681 -3.035 1.775 1.00 0.00 O ATOM 976 CB LYS A 93 14.970 -0.691 1.709 1.00 0.00 C ATOM 977 CG LYS A 93 15.979 0.211 2.421 1.00 0.00 C ATOM 978 CD LYS A 93 17.393 -0.143 1.959 1.00 0.00 C ATOM 979 CE LYS A 93 18.413 0.534 2.874 1.00 0.00 C ATOM 980 NZ LYS A 93 18.269 2.014 2.770 1.00 0.00 N ATOM 0 H LYS A 93 15.871 -3.010 1.425 1.00 0.00 H new ATOM 0 HA LYS A 93 14.773 -1.553 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.406 -1.090 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.092 -0.114 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.765 1.257 2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.896 0.087 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.533 -1.224 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.542 0.180 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.261 0.215 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.423 0.236 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.091 2.475 3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.215 2.288 1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.401 2.314 3.258 1.00 0.00 H new ATOM 994 N TYR A 94 12.229 -1.345 3.101 1.00 0.00 N ATOM 995 CA TYR A 94 10.765 -1.579 2.965 1.00 0.00 C ATOM 996 C TYR A 94 10.079 -0.269 2.594 1.00 0.00 C ATOM 997 O TYR A 94 10.706 0.768 2.518 1.00 0.00 O ATOM 998 CB TYR A 94 10.202 -2.094 4.289 1.00 0.00 C ATOM 999 CG TYR A 94 10.417 -3.582 4.375 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.602 -4.084 4.923 1.00 0.00 C ATOM 1001 CD2 TYR A 94 9.434 -4.460 3.907 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.804 -5.465 5.007 1.00 0.00 C ATOM 1003 CE2 TYR A 94 9.634 -5.843 3.991 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.821 -6.346 4.541 1.00 0.00 C ATOM 1005 OH TYR A 94 11.021 -7.709 4.627 1.00 0.00 O ATOM 0 H TYR A 94 12.492 -0.563 3.700 1.00 0.00 H new ATOM 0 HA TYR A 94 10.585 -2.320 2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.693 -1.595 5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.139 -1.864 4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 94 12.361 -3.405 5.281 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.521 -4.071 3.481 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.719 -5.852 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.874 -6.522 3.632 1.00 0.00 H new ATOM 0 HH TYR A 94 10.238 -8.129 5.040 1.00 0.00 H new ATOM 1015 N MET A 95 8.798 -0.301 2.359 1.00 0.00 N ATOM 1016 CA MET A 95 8.090 0.952 1.993 1.00 0.00 C ATOM 1017 C MET A 95 6.611 0.826 2.349 1.00 0.00 C ATOM 1018 O MET A 95 5.882 0.045 1.767 1.00 0.00 O ATOM 1019 CB MET A 95 8.239 1.207 0.492 1.00 0.00 C ATOM 1020 CG MET A 95 8.330 2.713 0.238 1.00 0.00 C ATOM 1021 SD MET A 95 7.659 3.090 -1.400 1.00 0.00 S ATOM 1022 CE MET A 95 6.002 2.416 -1.126 1.00 0.00 C ATOM 0 H MET A 95 8.215 -1.136 2.405 1.00 0.00 H new ATOM 0 HA MET A 95 8.524 1.787 2.544 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.132 0.709 0.114 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.389 0.787 -0.045 1.00 0.00 H new ATOM 0 HG2 MET A 95 7.776 3.256 1.004 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.367 3.041 0.302 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.850 1.551 -1.771 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.900 2.114 -0.084 1.00 0.00 H new ATOM 0 HE3 MET A 95 5.257 3.177 -1.358 1.00 0.00 H new ATOM 1032 N HIS A 96 6.163 1.595 3.298 1.00 0.00 N ATOM 1033 CA HIS A 96 4.731 1.530 3.690 1.00 0.00 C ATOM 1034 C HIS A 96 3.896 2.116 2.555 1.00 0.00 C ATOM 1035 O HIS A 96 4.363 2.937 1.791 1.00 0.00 O ATOM 1036 CB HIS A 96 4.520 2.327 4.974 1.00 0.00 C ATOM 1037 CG HIS A 96 4.463 1.376 6.132 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.152 0.049 6.188 1.00 0.00 N flip ATOM 1039 CD2 HIS A 96 4.779 1.749 7.431 1.00 0.00 C flip ATOM 1040 CE1 HIS A 96 4.289 -0.411 7.494 1.00 0.00 C flip ATOM 1041 NE2 HIS A 96 4.652 0.659 8.205 1.00 0.00 N flip ATOM 0 H HIS A 96 6.727 2.266 3.820 1.00 0.00 H new ATOM 0 HA HIS A 96 4.429 0.498 3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.332 3.041 5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.596 2.903 4.913 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.073 2.735 7.759 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.135 -1.417 7.855 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.813 0.650 9.212 1.00 0.00 H new ATOM 1049 N LEU A 97 2.680 1.678 2.410 1.00 0.00 N ATOM 1050 CA LEU A 97 1.846 2.190 1.291 1.00 0.00 C ATOM 1051 C LEU A 97 0.458 2.585 1.780 1.00 0.00 C ATOM 1052 O LEU A 97 -0.131 1.935 2.617 1.00 0.00 O ATOM 1053 CB LEU A 97 1.703 1.081 0.260 1.00 0.00 C ATOM 1054 CG LEU A 97 1.377 1.686 -1.097 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.623 2.373 -1.660 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.940 0.567 -2.034 1.00 0.00 C ATOM 0 H LEU A 97 2.229 0.991 3.014 1.00 0.00 H new ATOM 0 HA LEU A 97 2.326 3.070 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.626 0.505 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.915 0.390 0.561 1.00 0.00 H new ATOM 0 HG LEU A 97 0.579 2.422 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.391 2.807 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.944 3.161 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.423 1.641 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.702 0.984 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.747 -0.159 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.058 0.074 -1.626 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.074 3.639 1.235 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.435 4.083 1.629 1.00 0.00 C ATOM 1070 C LYS A 98 -2.237 4.363 0.352 1.00 0.00 C ATOM 1071 O LYS A 98 -2.046 5.373 -0.290 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.332 5.362 2.463 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.445 5.381 3.512 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.339 6.661 4.344 1.00 0.00 C ATOM 1075 CE LYS A 98 -3.163 7.769 3.687 1.00 0.00 C ATOM 1076 NZ LYS A 98 -4.211 8.239 4.636 1.00 0.00 N ATOM 0 H LYS A 98 0.380 4.217 0.527 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.929 3.313 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.358 5.413 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.412 6.237 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.419 5.330 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.366 4.507 4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.698 6.479 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.296 6.969 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.516 8.599 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.626 7.399 2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.771 8.993 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.835 7.445 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.759 8.608 5.497 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.115 3.475 -0.037 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.899 3.699 -1.285 1.00 0.00 C ATOM 1092 C VAL A 99 -5.366 3.973 -0.922 1.00 0.00 C ATOM 1093 O VAL A 99 -5.817 3.629 0.148 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.816 2.424 -2.153 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -5.065 2.284 -3.016 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.614 2.487 -3.089 1.00 0.00 C ATOM 0 H VAL A 99 -3.322 2.606 0.456 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.497 4.552 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.723 1.575 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.990 1.381 -3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.945 2.220 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.155 3.152 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.574 1.579 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.708 3.353 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.700 2.573 -2.502 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.130 4.550 -1.818 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.570 4.776 -1.503 1.00 0.00 C ATOM 1108 C PHE A 100 -8.408 4.108 -2.589 1.00 0.00 C ATOM 1109 O PHE A 100 -8.109 4.218 -3.767 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.885 6.275 -1.452 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.337 6.489 -1.098 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -10.336 6.132 -2.011 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.683 7.055 0.134 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.683 6.339 -1.691 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.032 7.262 0.455 1.00 0.00 C ATOM 1116 CZ PHE A 100 -12.032 6.903 -0.459 1.00 0.00 C ATOM 0 H PHE A 100 -5.823 4.868 -2.737 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.801 4.350 -0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.247 6.764 -0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.667 6.733 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.068 5.697 -2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.912 7.332 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -12.454 6.063 -2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.300 7.698 1.406 1.00 0.00 H new ATOM 0 HZ PHE A 100 -13.071 7.062 -0.212 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.450 3.414 -2.205 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.312 2.744 -3.218 1.00 0.00 C ATOM 1128 C LYS A 101 -11.500 3.633 -3.509 1.00 0.00 C ATOM 1129 O LYS A 101 -12.254 4.001 -2.630 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.832 1.413 -2.699 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.753 0.370 -3.814 1.00 0.00 C ATOM 1132 CD LYS A 101 -11.627 0.812 -4.989 1.00 0.00 C ATOM 1133 CE LYS A 101 -12.021 -0.410 -5.821 1.00 0.00 C ATOM 1134 NZ LYS A 101 -13.081 -0.024 -6.796 1.00 0.00 N ATOM 0 H LYS A 101 -9.738 3.284 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.718 2.568 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.244 1.089 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.862 1.520 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.720 0.249 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.086 -0.600 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.520 1.318 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.087 1.528 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.151 -0.800 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.383 -1.206 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.350 -0.854 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.913 0.329 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.720 0.722 -7.424 1.00 0.00 H new ATOM 1257 N LEU A 108 -8.443 3.346 -7.805 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.496 3.379 -6.651 1.00 0.00 C ATOM 1259 C LEU A 108 -6.528 4.525 -6.785 1.00 0.00 C ATOM 1260 O LEU A 108 -6.461 5.214 -7.783 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.701 2.080 -6.557 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.455 1.118 -5.652 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.711 0.659 -6.372 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.567 -0.088 -5.330 1.00 0.00 C ATOM 0 HA LEU A 108 -8.093 3.506 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.569 1.644 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.705 2.273 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.725 1.614 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.263 -0.032 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.337 1.522 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.436 0.157 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.109 -0.776 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.296 -0.598 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.663 0.251 -4.825 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.805 4.746 -5.743 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.845 5.870 -5.733 1.00 0.00 C ATOM 1278 C VAL A 109 -3.740 5.626 -4.712 1.00 0.00 C ATOM 1279 O VAL A 109 -3.877 4.823 -3.814 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.627 7.086 -5.302 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.107 6.855 -3.884 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.752 8.337 -5.352 1.00 0.00 C ATOM 0 H VAL A 109 -5.835 4.193 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.387 5.988 -6.715 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.471 7.238 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.677 7.721 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.742 5.969 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.248 6.708 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.336 9.202 -5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.900 8.212 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.395 8.491 -6.370 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.662 6.350 -4.821 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.570 6.226 -3.864 1.00 0.00 C ATOM 1294 C LEU A 110 -1.744 7.379 -2.872 1.00 0.00 C ATOM 1295 O LEU A 110 -1.183 8.445 -3.026 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.279 6.358 -4.653 1.00 0.00 C ATOM 1297 CG LEU A 110 0.851 6.720 -3.728 1.00 0.00 C ATOM 1298 CD1 LEU A 110 0.955 5.660 -2.638 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.134 6.771 -4.541 1.00 0.00 C ATOM 0 H LEU A 110 -2.504 7.036 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.557 5.279 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.057 5.421 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.389 7.122 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 110 0.678 7.690 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.771 5.913 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.020 5.620 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.148 4.688 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.968 7.032 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.318 5.796 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.038 7.522 -5.326 1.00 0.00 H new ATOM 1311 N THR A 111 -2.579 7.193 -1.891 1.00 0.00 N ATOM 1312 CA THR A 111 -2.854 8.296 -0.925 1.00 0.00 C ATOM 1313 C THR A 111 -1.639 8.575 -0.043 1.00 0.00 C ATOM 1314 O THR A 111 -1.590 9.575 0.646 1.00 0.00 O ATOM 1315 CB THR A 111 -4.052 7.918 -0.054 1.00 0.00 C ATOM 1316 OG1 THR A 111 -3.894 6.589 0.420 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.328 8.018 -0.891 1.00 0.00 C ATOM 0 H THR A 111 -3.085 6.325 -1.714 1.00 0.00 H new ATOM 0 HA THR A 111 -3.075 9.202 -1.489 1.00 0.00 H new ATOM 0 HB THR A 111 -4.118 8.596 0.797 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.940 6.369 0.466 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.188 7.750 -0.277 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.446 9.039 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.261 7.337 -1.739 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.653 7.726 -0.053 1.00 0.00 N ATOM 1326 CA GLY A 112 0.541 8.001 0.796 1.00 0.00 C ATOM 1327 C GLY A 112 1.514 6.825 0.766 1.00 0.00 C ATOM 1328 O GLY A 112 1.432 5.950 -0.072 1.00 0.00 O ATOM 0 H GLY A 112 -0.618 6.867 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.043 8.902 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.226 8.192 1.822 1.00 0.00 H new ATOM 1332 N TYR A 113 2.449 6.819 1.677 1.00 0.00 N ATOM 1333 CA TYR A 113 3.455 5.741 1.727 1.00 0.00 C ATOM 1334 C TYR A 113 4.571 6.165 2.682 1.00 0.00 C ATOM 1335 O TYR A 113 5.055 7.276 2.616 1.00 0.00 O ATOM 1336 CB TYR A 113 4.062 5.564 0.349 1.00 0.00 C ATOM 1337 CG TYR A 113 4.499 6.912 -0.168 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.767 7.406 0.161 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.634 7.675 -0.960 1.00 0.00 C ATOM 1340 CE1 TYR A 113 6.171 8.660 -0.304 1.00 0.00 C ATOM 1341 CE2 TYR A 113 4.039 8.930 -1.427 1.00 0.00 C ATOM 1342 CZ TYR A 113 5.308 9.424 -1.097 1.00 0.00 C ATOM 1343 OH TYR A 113 5.709 10.663 -1.555 1.00 0.00 O ATOM 0 H TYR A 113 2.553 7.533 2.398 1.00 0.00 H new ATOM 0 HA TYR A 113 2.988 4.813 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.913 4.884 0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.335 5.118 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.433 6.817 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.654 7.295 -1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.150 9.040 -0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.374 9.518 -2.042 1.00 0.00 H new ATOM 0 HH TYR A 113 5.682 10.674 -2.535 1.00 0.00 H new ATOM 1353 N GLN A 114 5.019 5.297 3.537 1.00 0.00 N ATOM 1354 CA GLN A 114 6.142 5.688 4.432 1.00 0.00 C ATOM 1355 C GLN A 114 7.405 5.178 3.768 1.00 0.00 C ATOM 1356 O GLN A 114 7.749 4.022 3.871 1.00 0.00 O ATOM 1357 CB GLN A 114 6.014 5.071 5.834 1.00 0.00 C ATOM 1358 CG GLN A 114 4.543 4.872 6.202 1.00 0.00 C ATOM 1359 CD GLN A 114 4.092 6.012 7.116 1.00 0.00 C ATOM 1360 OE1 GLN A 114 3.159 5.791 8.000 1.00 0.00 O flip ATOM 1361 NE2 GLN A 114 4.596 7.114 7.026 1.00 0.00 N flip ATOM 0 H GLN A 114 4.665 4.348 3.657 1.00 0.00 H new ATOM 0 HA GLN A 114 6.147 6.769 4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.535 4.114 5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.494 5.719 6.568 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.931 4.849 5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.408 3.914 6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.326 7.286 6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 114 4.289 7.867 7.642 1.00 0.00 H new ATOM 1370 N VAL A 115 8.082 6.009 3.045 1.00 0.00 N ATOM 1371 CA VAL A 115 9.282 5.538 2.351 1.00 0.00 C ATOM 1372 C VAL A 115 10.367 5.192 3.356 1.00 0.00 C ATOM 1373 O VAL A 115 10.383 5.669 4.473 1.00 0.00 O ATOM 1374 CB VAL A 115 9.762 6.626 1.422 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.324 7.765 2.249 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.840 6.069 0.515 1.00 0.00 C ATOM 0 H VAL A 115 7.852 6.993 2.908 1.00 0.00 H new ATOM 0 HA VAL A 115 9.048 4.641 1.778 1.00 0.00 H new ATOM 0 HB VAL A 115 8.935 6.991 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.674 8.557 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.546 8.157 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.157 7.401 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 115 11.190 6.852 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.674 5.710 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.433 5.243 -0.069 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.271 4.360 2.952 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.380 3.952 3.853 1.00 0.00 C ATOM 1388 C ASP A 115A 11.831 3.466 5.205 1.00 0.00 C ATOM 1389 O ASP A 115A 12.545 3.435 6.187 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.304 5.148 4.079 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.761 4.683 4.046 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 15.043 3.733 3.334 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.569 5.284 4.733 1.00 0.00 O ATOM 0 H ASP A 115A 11.293 3.937 2.024 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.930 3.134 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.135 5.902 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 13.082 5.616 5.038 1.00 0.00 H new ATOM 1398 N LYS A 116 10.582 3.066 5.272 1.00 0.00 N ATOM 1399 CA LYS A 116 10.041 2.571 6.570 1.00 0.00 C ATOM 1400 C LYS A 116 10.436 1.098 6.718 1.00 0.00 C ATOM 1401 O LYS A 116 10.289 0.314 5.804 1.00 0.00 O ATOM 1402 CB LYS A 116 8.510 2.735 6.600 1.00 0.00 C ATOM 1403 CG LYS A 116 8.116 3.623 7.784 1.00 0.00 C ATOM 1404 CD LYS A 116 9.012 4.866 7.813 1.00 0.00 C ATOM 1405 CE LYS A 116 8.281 6.020 8.502 1.00 0.00 C ATOM 1406 NZ LYS A 116 7.505 5.498 9.661 1.00 0.00 N ATOM 0 H LYS A 116 9.924 3.062 4.492 1.00 0.00 H new ATOM 0 HA LYS A 116 10.452 3.146 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.163 3.179 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 116 8.031 1.760 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.070 3.918 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.216 3.068 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.939 4.644 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.285 5.152 6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.998 6.769 8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.613 6.514 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.366 6.259 10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.580 5.155 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.027 4.715 10.104 1.00 0.00 H new ATOM 1420 N ASN A 117 10.975 0.728 7.850 1.00 0.00 N ATOM 1421 CA ASN A 117 11.425 -0.690 8.033 1.00 0.00 C ATOM 1422 C ASN A 117 10.278 -1.584 8.518 1.00 0.00 C ATOM 1423 O ASN A 117 9.166 -1.141 8.728 1.00 0.00 O ATOM 1424 CB ASN A 117 12.589 -0.768 9.040 1.00 0.00 C ATOM 1425 CG ASN A 117 12.627 0.480 9.925 1.00 0.00 C ATOM 1426 OD1 ASN A 117 11.969 0.536 10.945 1.00 0.00 O ATOM 1427 ND2 ASN A 117 13.377 1.490 9.576 1.00 0.00 N ATOM 0 H ASN A 117 11.124 1.339 8.653 1.00 0.00 H new ATOM 0 HA ASN A 117 11.761 -1.048 7.060 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.479 -1.657 9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.533 -0.868 8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.411 2.326 10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.929 1.443 8.720 1.00 0.00 H new ATOM 1434 N LYS A 118 10.561 -2.852 8.682 1.00 0.00 N ATOM 1435 CA LYS A 118 9.524 -3.824 9.139 1.00 0.00 C ATOM 1436 C LYS A 118 9.013 -3.437 10.527 1.00 0.00 C ATOM 1437 O LYS A 118 7.823 -3.358 10.760 1.00 0.00 O ATOM 1438 CB LYS A 118 10.147 -5.220 9.203 1.00 0.00 C ATOM 1439 CG LYS A 118 9.080 -6.275 8.907 1.00 0.00 C ATOM 1440 CD LYS A 118 8.634 -6.924 10.218 1.00 0.00 C ATOM 1441 CE LYS A 118 7.491 -7.903 9.945 1.00 0.00 C ATOM 1442 NZ LYS A 118 7.121 -8.595 11.212 1.00 0.00 N ATOM 0 H LYS A 118 11.481 -3.260 8.516 1.00 0.00 H new ATOM 0 HA LYS A 118 8.689 -3.815 8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 118 10.960 -5.299 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 118 10.578 -5.392 10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.227 -5.816 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.478 -7.031 8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.472 -7.447 10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.309 -6.158 10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.629 -7.370 9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.794 -8.633 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.344 -9.262 11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.944 -9.115 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.816 -7.892 11.915 1.00 0.00 H new ATOM 1456 N ASP A 119 9.903 -3.198 11.453 1.00 0.00 N ATOM 1457 CA ASP A 119 9.466 -2.817 12.826 1.00 0.00 C ATOM 1458 C ASP A 119 8.328 -1.800 12.727 1.00 0.00 C ATOM 1459 O ASP A 119 7.503 -1.685 13.612 1.00 0.00 O ATOM 1460 CB ASP A 119 10.642 -2.195 13.580 1.00 0.00 C ATOM 1461 CG ASP A 119 10.290 -2.067 15.063 1.00 0.00 C ATOM 1462 OD1 ASP A 119 9.441 -2.815 15.517 1.00 0.00 O ATOM 1463 OD2 ASP A 119 10.878 -1.224 15.720 1.00 0.00 O ATOM 0 H ASP A 119 10.913 -3.250 11.317 1.00 0.00 H new ATOM 0 HA ASP A 119 9.121 -3.702 13.361 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.532 -2.812 13.459 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.875 -1.214 13.165 1.00 0.00 H new ATOM 1468 N ASP A 120 8.281 -1.059 11.655 1.00 0.00 N ATOM 1469 CA ASP A 120 7.203 -0.048 11.495 1.00 0.00 C ATOM 1470 C ASP A 120 5.859 -0.736 11.284 1.00 0.00 C ATOM 1471 O ASP A 120 5.474 -1.028 10.170 1.00 0.00 O ATOM 1472 CB ASP A 120 7.497 0.831 10.280 1.00 0.00 C ATOM 1473 CG ASP A 120 7.148 2.284 10.608 1.00 0.00 C ATOM 1474 OD1 ASP A 120 7.696 2.804 11.566 1.00 0.00 O ATOM 1475 OD2 ASP A 120 6.340 2.854 9.893 1.00 0.00 O ATOM 0 H ASP A 120 8.945 -1.111 10.882 1.00 0.00 H new ATOM 0 HA ASP A 120 7.164 0.560 12.398 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.549 0.751 10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.917 0.491 9.422 1.00 0.00 H new ATOM 1480 N GLU A 121 5.117 -0.959 12.330 1.00 0.00 N ATOM 1481 CA GLU A 121 3.781 -1.569 12.140 1.00 0.00 C ATOM 1482 C GLU A 121 2.946 -0.514 11.423 1.00 0.00 C ATOM 1483 O GLU A 121 3.097 0.663 11.678 1.00 0.00 O ATOM 1484 CB GLU A 121 3.159 -1.907 13.497 1.00 0.00 C ATOM 1485 CG GLU A 121 1.870 -2.701 13.283 1.00 0.00 C ATOM 1486 CD GLU A 121 1.913 -3.986 14.114 1.00 0.00 C ATOM 1487 OE1 GLU A 121 2.325 -3.915 15.260 1.00 0.00 O ATOM 1488 OE2 GLU A 121 1.531 -5.020 13.589 1.00 0.00 O ATOM 0 H GLU A 121 5.375 -0.748 13.294 1.00 0.00 H new ATOM 0 HA GLU A 121 3.835 -2.496 11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.861 -2.487 14.096 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.948 -0.992 14.050 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.008 -2.099 13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.751 -2.943 12.227 1.00 0.00 H new ATOM 1495 N LEU A 122 2.104 -0.884 10.508 1.00 0.00 N ATOM 1496 CA LEU A 122 1.337 0.170 9.797 1.00 0.00 C ATOM 1497 C LEU A 122 0.425 0.901 10.766 1.00 0.00 C ATOM 1498 O LEU A 122 0.245 2.097 10.645 1.00 0.00 O ATOM 1499 CB LEU A 122 0.547 -0.424 8.633 1.00 0.00 C ATOM 1500 CG LEU A 122 1.527 -0.593 7.482 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.672 -2.054 7.136 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.073 0.148 6.237 1.00 0.00 C ATOM 0 H LEU A 122 1.915 -1.845 10.225 1.00 0.00 H new ATOM 0 HA LEU A 122 2.040 0.892 9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.108 -1.382 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.275 0.232 8.348 1.00 0.00 H new ATOM 0 HG LEU A 122 2.480 -0.178 7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.376 -2.164 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.043 -2.599 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.702 -2.456 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.802 0.001 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.104 -0.236 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.987 1.212 6.458 1.00 0.00 H new ATOM 1514 N THR A 123 -0.142 0.232 11.745 1.00 0.00 N ATOM 1515 CA THR A 123 -1.016 0.987 12.693 1.00 0.00 C ATOM 1516 C THR A 123 -1.965 1.791 11.809 1.00 0.00 C ATOM 1517 O THR A 123 -2.217 1.372 10.706 1.00 0.00 O ATOM 1518 CB THR A 123 -0.110 1.922 13.540 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.288 3.275 13.152 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.363 1.566 13.317 1.00 0.00 C ATOM 0 H THR A 123 -0.042 -0.767 11.923 1.00 0.00 H new ATOM 0 HA THR A 123 -1.575 0.349 13.377 1.00 0.00 H new ATOM 0 HB THR A 123 -0.385 1.793 14.587 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.032 3.382 12.212 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.991 2.226 13.915 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.537 0.532 13.615 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.611 1.686 12.262 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.433 2.946 12.220 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.273 3.768 11.295 1.00 0.00 C ATOM 1530 C GLY A 124 -2.478 3.801 9.986 1.00 0.00 C ATOM 1531 O GLY A 124 -2.430 2.843 9.250 1.00 0.00 O ATOM 0 H GLY A 124 -2.272 3.350 13.143 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.257 3.323 11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.432 4.772 11.689 1.00 0.00 H new ATOM 1535 N PHE A 125 -1.756 4.837 9.720 1.00 0.00 N ATOM 1536 CA PHE A 125 -0.898 4.763 8.513 1.00 0.00 C ATOM 1537 C PHE A 125 0.529 4.445 8.962 1.00 0.00 C ATOM 1538 O PHE A 125 1.052 3.429 8.535 1.00 0.00 O ATOM 1539 CB PHE A 125 -0.869 6.030 7.670 1.00 0.00 C ATOM 1540 CG PHE A 125 0.067 5.707 6.532 1.00 0.00 C ATOM 1541 CD1 PHE A 125 -0.117 4.507 5.830 1.00 0.00 C ATOM 1542 CD2 PHE A 125 1.146 6.537 6.224 1.00 0.00 C ATOM 1543 CE1 PHE A 125 0.765 4.142 4.815 1.00 0.00 C ATOM 1544 CE2 PHE A 125 2.035 6.166 5.208 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.841 4.971 4.505 1.00 0.00 C ATOM 1546 OXT PHE A 125 1.076 5.224 9.725 1.00 0.00 O ATOM 0 H PHE A 125 -1.717 5.703 10.258 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.327 3.989 7.877 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.864 6.286 7.305 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.512 6.883 8.248 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -0.947 3.862 6.078 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.294 7.459 6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.615 3.221 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.873 6.803 4.966 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.528 4.691 3.720 1.00 0.00 H new