USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 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 46 SER OG : rot -91:sc= 0.56 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.4! C(o=-0.84!,f=-4.3!) USER MOD Set 2.1: A 10 HIS : no HE2:sc= -6.9! C(o=-8.7!,f=-7.3!) USER MOD Set 2.2: A 13 MET CE :methyl 144:sc= -1.81 (180deg=-1.5) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 91:sc= 0.787 USER MOD Single : A 36 SER OG : rot 180:sc= -2.58! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0028 X(o=-0.0028,f=-0.06) USER MOD Single : A 49 SER OG : rot -142:sc= 0.216 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -17:sc= 1.67 USER MOD Single : A 63 THR OG1 : rot -130:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -170:sc= -5.59! (180deg=-6.16!) USER MOD Single : A 69 CYS SG : rot 107:sc= 0.475 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 149:sc= 1.48 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -14:sc= 1.12 USER MOD Single : A 91 HIS : no HD1:sc= -3.48 K(o=-3.5,f=-1.2) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -94:sc= -1.07! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc=-0.00593 X(o=-0.0059,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.707 USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 -0.615 7.042 -8.383 1.00 0.00 N ATOM 67 CA TRP A 8 -1.152 6.255 -7.286 1.00 0.00 C ATOM 68 C TRP A 8 -1.261 7.164 -6.061 1.00 0.00 C ATOM 69 O TRP A 8 -2.237 7.095 -5.316 1.00 0.00 O ATOM 70 CB TRP A 8 -0.298 5.011 -7.034 1.00 0.00 C ATOM 71 CG TRP A 8 1.100 5.080 -7.653 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.522 4.532 -8.800 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.249 5.762 -7.107 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.853 4.809 -9.033 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.309 5.581 -7.971 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.387 6.507 -5.923 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.584 6.114 -7.743 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.667 7.033 -5.709 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.745 6.860 -6.569 1.00 0.00 C ATOM 0 HA TRP A 8 -2.146 5.880 -7.531 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.201 4.861 -5.959 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.818 4.139 -7.432 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.898 3.947 -9.460 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.402 4.503 -9.837 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.571 6.661 -5.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.398 5.958 -8.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.828 7.614 -4.813 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.703 7.299 -6.333 1.00 0.00 H new ATOM 90 N TYR A 9 -0.244 7.996 -5.889 1.00 0.00 N ATOM 91 CA TYR A 9 -0.212 8.919 -4.767 1.00 0.00 C ATOM 92 C TYR A 9 -1.507 9.730 -4.688 1.00 0.00 C ATOM 93 O TYR A 9 -1.693 10.683 -5.443 1.00 0.00 O ATOM 94 CB TYR A 9 0.956 9.869 -5.035 1.00 0.00 C ATOM 95 CG TYR A 9 1.300 10.781 -3.855 1.00 0.00 C ATOM 96 CD1 TYR A 9 2.087 10.308 -2.824 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.823 12.075 -3.821 1.00 0.00 C ATOM 98 CE1 TYR A 9 2.410 11.166 -1.714 1.00 0.00 C ATOM 99 CE2 TYR A 9 1.147 12.933 -2.711 1.00 0.00 C ATOM 100 CZ TYR A 9 1.924 12.436 -1.712 1.00 0.00 C ATOM 101 OH TYR A 9 2.230 13.246 -0.663 1.00 0.00 O ATOM 0 H TYR A 9 0.565 8.050 -6.508 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.102 8.378 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.836 9.281 -5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.717 10.487 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.460 9.295 -2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.206 12.445 -4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.025 10.809 -0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.781 13.948 -2.673 1.00 0.00 H new ATOM 0 HH TYR A 9 1.816 14.124 -0.796 1.00 0.00 H new ATOM 111 N HIS A 10 -2.367 9.323 -3.766 1.00 0.00 N ATOM 112 CA HIS A 10 -3.639 10.001 -3.578 1.00 0.00 C ATOM 113 C HIS A 10 -3.423 11.282 -2.771 1.00 0.00 C ATOM 114 O HIS A 10 -4.198 12.231 -2.887 1.00 0.00 O ATOM 115 CB HIS A 10 -4.665 9.063 -2.939 1.00 0.00 C ATOM 116 CG HIS A 10 -5.042 7.884 -3.804 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.025 7.950 -4.775 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.556 6.609 -3.833 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.119 6.763 -5.356 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.209 5.933 -4.771 1.00 0.00 N ATOM 0 H HIS A 10 -2.208 8.533 -3.141 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.049 10.288 -4.546 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.266 8.694 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.565 9.631 -2.705 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.583 8.773 -5.005 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.773 6.217 -3.201 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.798 6.499 -6.154 1.00 0.00 H new ATOM 128 N GLY A 11 -2.367 11.269 -1.972 1.00 0.00 N ATOM 129 CA GLY A 11 -2.039 12.419 -1.145 1.00 0.00 C ATOM 130 C GLY A 11 -2.439 12.179 0.312 1.00 0.00 C ATOM 131 O GLY A 11 -1.863 11.326 0.985 1.00 0.00 O ATOM 0 H GLY A 11 -1.727 10.480 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.969 12.620 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.551 13.303 -1.525 1.00 0.00 H new ATOM 135 N HIS A 12 -3.424 12.946 0.756 1.00 0.00 N ATOM 136 CA HIS A 12 -3.908 12.827 2.121 1.00 0.00 C ATOM 137 C HIS A 12 -5.151 11.936 2.149 1.00 0.00 C ATOM 138 O HIS A 12 -6.275 12.433 2.177 1.00 0.00 O ATOM 139 CB HIS A 12 -4.154 14.208 2.732 1.00 0.00 C ATOM 140 CG HIS A 12 -3.089 15.226 2.399 1.00 0.00 C ATOM 141 ND1 HIS A 12 -3.371 16.430 1.778 1.00 0.00 N ATOM 142 CD2 HIS A 12 -1.742 15.207 2.609 1.00 0.00 C ATOM 143 CE1 HIS A 12 -2.237 17.097 1.625 1.00 0.00 C ATOM 144 NE2 HIS A 12 -1.228 16.337 2.140 1.00 0.00 N ATOM 0 H HIS A 12 -3.900 13.652 0.195 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.148 12.350 2.740 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.118 14.580 2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.220 14.108 3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.187 14.408 3.078 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.130 18.072 1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.241 16.595 2.161 1.00 0.00 H new ATOM 152 N MET A 13 -4.906 10.634 2.140 1.00 0.00 N ATOM 153 CA MET A 13 -5.992 9.668 2.164 1.00 0.00 C ATOM 154 C MET A 13 -6.046 8.938 3.507 1.00 0.00 C ATOM 155 O MET A 13 -5.010 8.608 4.081 1.00 0.00 O ATOM 156 CB MET A 13 -5.797 8.652 1.037 1.00 0.00 C ATOM 157 CG MET A 13 -7.029 7.757 0.886 1.00 0.00 C ATOM 158 SD MET A 13 -8.281 8.599 -0.067 1.00 0.00 S ATOM 159 CE MET A 13 -7.877 8.006 -1.701 1.00 0.00 C ATOM 0 H MET A 13 -3.972 10.225 2.116 1.00 0.00 H new ATOM 0 HA MET A 13 -6.932 10.202 2.024 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.606 9.175 0.100 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.920 8.038 1.244 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.753 6.824 0.395 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.422 7.496 1.869 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.794 7.864 -2.273 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.243 8.735 -2.206 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.347 7.057 -1.623 1.00 0.00 H new ATOM 169 N SER A 14 -7.266 8.706 3.970 1.00 0.00 N ATOM 170 CA SER A 14 -7.469 8.021 5.235 1.00 0.00 C ATOM 171 C SER A 14 -7.324 6.510 5.041 1.00 0.00 C ATOM 172 O SER A 14 -7.960 5.930 4.162 1.00 0.00 O ATOM 173 CB SER A 14 -8.842 8.350 5.826 1.00 0.00 C ATOM 174 OG SER A 14 -8.895 9.677 6.343 1.00 0.00 O ATOM 0 H SER A 14 -8.124 8.980 3.491 1.00 0.00 H new ATOM 0 HA SER A 14 -6.709 8.366 5.936 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.606 8.229 5.058 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.074 7.641 6.621 1.00 0.00 H new ATOM 0 HG SER A 14 -9.787 9.850 6.710 1.00 0.00 H new ATOM 180 N GLY A 15 -6.483 5.917 5.875 1.00 0.00 N ATOM 181 CA GLY A 15 -6.246 4.485 5.806 1.00 0.00 C ATOM 182 C GLY A 15 -7.557 3.721 5.610 1.00 0.00 C ATOM 183 O GLY A 15 -7.735 3.033 4.606 1.00 0.00 O ATOM 0 H GLY A 15 -5.957 6.402 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.566 4.265 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.758 4.149 6.721 1.00 0.00 H new ATOM 187 N GLY A 16 -8.442 3.868 6.586 1.00 0.00 N ATOM 188 CA GLY A 16 -9.732 3.201 6.533 1.00 0.00 C ATOM 189 C GLY A 16 -10.381 3.370 5.158 1.00 0.00 C ATOM 190 O GLY A 16 -11.061 2.466 4.674 1.00 0.00 O ATOM 0 H GLY A 16 -8.291 4.439 7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.606 2.141 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.388 3.609 7.301 1.00 0.00 H new ATOM 194 N GLN A 17 -10.148 4.533 4.568 1.00 0.00 N ATOM 195 CA GLN A 17 -10.702 4.832 3.258 1.00 0.00 C ATOM 196 C GLN A 17 -10.127 3.878 2.209 1.00 0.00 C ATOM 197 O GLN A 17 -10.861 3.093 1.610 1.00 0.00 O ATOM 198 CB GLN A 17 -10.444 6.290 2.873 1.00 0.00 C ATOM 199 CG GLN A 17 -11.747 6.993 2.487 1.00 0.00 C ATOM 200 CD GLN A 17 -11.656 8.498 2.749 1.00 0.00 C ATOM 201 OE1 GLN A 17 -11.778 8.968 3.868 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.434 9.225 1.657 1.00 0.00 N ATOM 0 H GLN A 17 -9.583 5.280 4.973 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.782 4.688 3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.978 6.813 3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.743 6.331 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.962 6.816 1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.575 6.570 3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.342 8.768 0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.356 10.240 1.727 1.00 0.00 H new ATOM 211 N ALA A 18 -8.820 3.977 2.018 1.00 0.00 N ATOM 212 CA ALA A 18 -8.138 3.133 1.052 1.00 0.00 C ATOM 213 C ALA A 18 -8.752 1.732 1.082 1.00 0.00 C ATOM 214 O ALA A 18 -9.159 1.207 0.047 1.00 0.00 O ATOM 215 CB ALA A 18 -6.638 3.119 1.354 1.00 0.00 C ATOM 0 H ALA A 18 -8.215 4.629 2.516 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.263 3.526 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.127 2.486 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.245 4.134 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.473 2.728 2.358 1.00 0.00 H new ATOM 221 N GLU A 19 -8.799 1.167 2.279 1.00 0.00 N ATOM 222 CA GLU A 19 -9.357 -0.163 2.458 1.00 0.00 C ATOM 223 C GLU A 19 -10.677 -0.292 1.696 1.00 0.00 C ATOM 224 O GLU A 19 -10.871 -1.242 0.939 1.00 0.00 O ATOM 225 CB GLU A 19 -9.547 -0.483 3.942 1.00 0.00 C ATOM 226 CG GLU A 19 -8.385 -1.324 4.475 1.00 0.00 C ATOM 227 CD GLU A 19 -8.885 -2.399 5.442 1.00 0.00 C ATOM 228 OE1 GLU A 19 -10.008 -2.896 5.208 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.133 -2.699 6.395 1.00 0.00 O ATOM 0 H GLU A 19 -8.460 1.606 3.135 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.653 -0.889 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.621 0.444 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.485 -1.020 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.860 -1.794 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.667 -0.679 4.982 1.00 0.00 H new ATOM 236 N THR A 20 -11.551 0.678 1.921 1.00 0.00 N ATOM 237 CA THR A 20 -12.847 0.685 1.265 1.00 0.00 C ATOM 238 C THR A 20 -12.688 0.977 -0.228 1.00 0.00 C ATOM 239 O THR A 20 -13.322 0.332 -1.062 1.00 0.00 O ATOM 240 CB THR A 20 -13.739 1.695 1.990 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.402 0.921 2.986 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.873 2.216 1.105 1.00 0.00 C ATOM 0 H THR A 20 -11.387 1.465 2.549 1.00 0.00 H new ATOM 0 HA THR A 20 -13.325 -0.293 1.324 1.00 0.00 H new ATOM 0 HB THR A 20 -13.133 2.533 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.000 1.499 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.475 2.929 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.453 2.708 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.499 1.382 0.788 1.00 0.00 H new ATOM 250 N LEU A 21 -11.836 1.949 -0.521 1.00 0.00 N ATOM 251 CA LEU A 21 -11.585 2.335 -1.899 1.00 0.00 C ATOM 252 C LEU A 21 -11.101 1.115 -2.685 1.00 0.00 C ATOM 253 O LEU A 21 -11.691 0.752 -3.701 1.00 0.00 O ATOM 254 CB LEU A 21 -10.625 3.524 -1.956 1.00 0.00 C ATOM 255 CG LEU A 21 -11.215 4.882 -1.570 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.790 5.284 -0.157 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.853 5.951 -2.603 1.00 0.00 C ATOM 0 H LEU A 21 -11.311 2.481 0.173 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.505 2.676 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.782 3.316 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.228 3.597 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.301 4.793 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.223 6.253 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.140 4.537 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.703 5.350 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.285 6.906 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.769 6.046 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.247 5.663 -3.578 1.00 0.00 H new ATOM 269 N LEU A 22 -10.030 0.515 -2.184 1.00 0.00 N ATOM 270 CA LEU A 22 -9.460 -0.656 -2.827 1.00 0.00 C ATOM 271 C LEU A 22 -10.550 -1.713 -3.011 1.00 0.00 C ATOM 272 O LEU A 22 -10.674 -2.302 -4.084 1.00 0.00 O ATOM 273 CB LEU A 22 -8.243 -1.157 -2.045 1.00 0.00 C ATOM 274 CG LEU A 22 -6.961 -0.337 -2.203 1.00 0.00 C ATOM 275 CD1 LEU A 22 -6.038 -0.526 -0.997 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.257 -0.667 -3.521 1.00 0.00 C ATOM 0 H LEU A 22 -9.543 0.818 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.090 -0.403 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.503 -1.188 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.035 -2.182 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.233 0.718 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.134 0.067 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.551 -0.202 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.771 -1.579 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.349 -0.070 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.999 -1.726 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.921 -0.440 -4.355 1.00 0.00 H new ATOM 288 N GLN A 23 -11.312 -1.923 -1.948 1.00 0.00 N ATOM 289 CA GLN A 23 -12.388 -2.899 -1.979 1.00 0.00 C ATOM 290 C GLN A 23 -13.453 -2.483 -2.995 1.00 0.00 C ATOM 291 O GLN A 23 -13.940 -3.310 -3.764 1.00 0.00 O ATOM 292 CB GLN A 23 -13.000 -3.085 -0.589 1.00 0.00 C ATOM 293 CG GLN A 23 -12.061 -3.882 0.320 1.00 0.00 C ATOM 294 CD GLN A 23 -12.661 -4.044 1.719 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.606 -3.373 2.099 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.059 -4.969 2.461 1.00 0.00 N ATOM 0 H GLN A 23 -11.206 -1.434 -1.059 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.973 -3.858 -2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.203 -2.111 -0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.956 -3.602 -0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.874 -4.864 -0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.099 -3.375 0.389 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.272 -5.495 2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.384 -5.152 3.410 1.00 0.00 H new ATOM 305 N ALA A 24 -13.785 -1.200 -2.966 1.00 0.00 N ATOM 306 CA ALA A 24 -14.783 -0.664 -3.875 1.00 0.00 C ATOM 307 C ALA A 24 -14.477 -1.135 -5.298 1.00 0.00 C ATOM 308 O ALA A 24 -15.389 -1.445 -6.063 1.00 0.00 O ATOM 309 CB ALA A 24 -14.812 0.861 -3.759 1.00 0.00 C ATOM 0 H ALA A 24 -13.380 -0.516 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.776 -1.030 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.561 1.264 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.063 1.143 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.833 1.264 -4.017 1.00 0.00 H new ATOM 315 N LYS A 25 -13.190 -1.175 -5.610 1.00 0.00 N ATOM 316 CA LYS A 25 -12.751 -1.603 -6.927 1.00 0.00 C ATOM 317 C LYS A 25 -12.741 -3.132 -6.984 1.00 0.00 C ATOM 318 O LYS A 25 -13.345 -3.727 -7.875 1.00 0.00 O ATOM 319 CB LYS A 25 -11.405 -0.966 -7.278 1.00 0.00 C ATOM 320 CG LYS A 25 -11.375 -0.519 -8.741 1.00 0.00 C ATOM 321 CD LYS A 25 -11.161 0.992 -8.848 1.00 0.00 C ATOM 322 CE LYS A 25 -11.447 1.487 -10.267 1.00 0.00 C ATOM 323 NZ LYS A 25 -12.760 2.168 -10.323 1.00 0.00 N ATOM 0 H LYS A 25 -12.436 -0.918 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.448 -1.259 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.224 -0.110 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.602 -1.680 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.577 -1.041 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.311 -0.793 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.813 1.506 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.135 1.238 -8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.661 2.172 -10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.437 0.646 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.939 2.498 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.508 1.503 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.757 2.982 -9.676 1.00 0.00 H new ATOM 337 N GLY A 26 -12.049 -3.724 -6.022 1.00 0.00 N ATOM 338 CA GLY A 26 -11.952 -5.172 -5.952 1.00 0.00 C ATOM 339 C GLY A 26 -10.712 -5.675 -6.693 1.00 0.00 C ATOM 340 O GLY A 26 -10.212 -6.762 -6.407 1.00 0.00 O ATOM 0 H GLY A 26 -11.550 -3.227 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.910 -5.487 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.846 -5.621 -6.385 1.00 0.00 H new ATOM 344 N GLU A 27 -10.251 -4.861 -7.632 1.00 0.00 N ATOM 345 CA GLU A 27 -9.079 -5.210 -8.416 1.00 0.00 C ATOM 346 C GLU A 27 -8.012 -5.845 -7.522 1.00 0.00 C ATOM 347 O GLU A 27 -7.481 -5.194 -6.624 1.00 0.00 O ATOM 348 CB GLU A 27 -8.524 -3.985 -9.147 1.00 0.00 C ATOM 349 CG GLU A 27 -9.441 -3.572 -10.300 1.00 0.00 C ATOM 350 CD GLU A 27 -9.090 -2.171 -10.803 1.00 0.00 C ATOM 351 OE1 GLU A 27 -8.090 -1.619 -10.296 1.00 0.00 O ATOM 352 OE2 GLU A 27 -9.831 -1.683 -11.684 1.00 0.00 O ATOM 0 H GLU A 27 -10.669 -3.961 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.374 -5.940 -9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.419 -3.156 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.528 -4.207 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.351 -4.289 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.479 -3.594 -9.970 1.00 0.00 H new ATOM 359 N PRO A 28 -7.723 -7.143 -7.807 1.00 0.00 N ATOM 360 CA PRO A 28 -6.729 -7.874 -7.039 1.00 0.00 C ATOM 361 C PRO A 28 -5.313 -7.439 -7.420 1.00 0.00 C ATOM 362 O PRO A 28 -4.950 -7.452 -8.596 1.00 0.00 O ATOM 363 CB PRO A 28 -7.001 -9.340 -7.338 1.00 0.00 C ATOM 364 CG PRO A 28 -7.827 -9.358 -8.614 1.00 0.00 C ATOM 365 CD PRO A 28 -8.332 -7.946 -8.863 1.00 0.00 C ATOM 0 HA PRO A 28 -6.798 -7.680 -5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.070 -9.892 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.540 -9.813 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.224 -9.701 -9.454 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.663 -10.051 -8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.039 -7.589 -9.850 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.420 -7.901 -8.817 1.00 0.00 H new ATOM 373 N TRP A 29 -4.550 -7.063 -6.404 1.00 0.00 N ATOM 374 CA TRP A 29 -3.181 -6.624 -6.618 1.00 0.00 C ATOM 375 C TRP A 29 -3.214 -5.143 -6.999 1.00 0.00 C ATOM 376 O TRP A 29 -2.674 -4.752 -8.032 1.00 0.00 O ATOM 377 CB TRP A 29 -2.483 -7.495 -7.664 1.00 0.00 C ATOM 378 CG TRP A 29 -2.622 -8.999 -7.415 1.00 0.00 C ATOM 379 CD1 TRP A 29 -3.032 -9.943 -8.274 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.332 -9.697 -6.186 1.00 0.00 C ATOM 381 NE1 TRP A 29 -3.028 -11.193 -7.690 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.588 -11.039 -6.380 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.868 -9.211 -4.951 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.411 -12.006 -5.383 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.696 -10.190 -3.965 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.949 -11.544 -4.144 1.00 0.00 C ATOM 0 H TRP A 29 -4.854 -7.053 -5.430 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.593 -6.736 -5.707 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.891 -7.261 -8.647 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.424 -7.237 -7.688 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.328 -9.749 -9.294 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.298 -12.069 -8.137 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.661 -8.166 -4.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.619 -13.051 -5.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.341 -9.870 -2.996 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.790 -12.237 -3.331 1.00 0.00 H new ATOM 397 N THR A 30 -3.852 -4.359 -6.143 1.00 0.00 N ATOM 398 CA THR A 30 -3.962 -2.929 -6.377 1.00 0.00 C ATOM 399 C THR A 30 -3.383 -2.149 -5.195 1.00 0.00 C ATOM 400 O THR A 30 -3.884 -2.248 -4.076 1.00 0.00 O ATOM 401 CB THR A 30 -5.432 -2.607 -6.655 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.875 -3.687 -7.473 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.603 -1.373 -7.544 1.00 0.00 C ATOM 0 H THR A 30 -4.298 -4.687 -5.286 1.00 0.00 H new ATOM 0 HA THR A 30 -3.377 -2.624 -7.245 1.00 0.00 H new ATOM 0 HB THR A 30 -5.954 -2.450 -5.711 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.240 -4.398 -6.906 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.664 -1.189 -7.710 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.157 -0.507 -7.055 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.110 -1.543 -8.501 1.00 0.00 H new ATOM 411 N PHE A 31 -2.336 -1.391 -5.483 1.00 0.00 N ATOM 412 CA PHE A 31 -1.683 -0.595 -4.458 1.00 0.00 C ATOM 413 C PHE A 31 -1.992 0.893 -4.639 1.00 0.00 C ATOM 414 O PHE A 31 -2.526 1.298 -5.671 1.00 0.00 O ATOM 415 CB PHE A 31 -0.177 -0.813 -4.613 1.00 0.00 C ATOM 416 CG PHE A 31 0.474 0.071 -5.680 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.328 -0.234 -6.997 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.198 1.161 -5.310 1.00 0.00 C ATOM 419 CE1 PHE A 31 0.932 0.586 -7.987 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.801 1.981 -6.300 1.00 0.00 C ATOM 421 CZ PHE A 31 1.656 1.676 -7.617 1.00 0.00 C ATOM 0 H PHE A 31 -1.923 -1.311 -6.412 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.038 -0.895 -3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.307 -0.625 -3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.005 -1.859 -4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.247 -1.100 -7.290 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.314 1.403 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.816 0.344 -9.033 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.375 2.847 -6.007 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.116 2.300 -8.369 1.00 0.00 H new ATOM 431 N LEU A 32 -1.642 1.666 -3.621 1.00 0.00 N ATOM 432 CA LEU A 32 -1.876 3.099 -3.656 1.00 0.00 C ATOM 433 C LEU A 32 -1.067 3.770 -2.543 1.00 0.00 C ATOM 434 O LEU A 32 -1.019 3.272 -1.420 1.00 0.00 O ATOM 435 CB LEU A 32 -3.374 3.400 -3.594 1.00 0.00 C ATOM 436 CG LEU A 32 -4.029 3.266 -2.217 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.801 4.524 -1.377 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.515 2.924 -2.347 1.00 0.00 C ATOM 0 H LEU A 32 -1.198 1.327 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.530 3.518 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.535 4.416 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.888 2.732 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.554 2.438 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.276 4.403 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.731 4.682 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.233 5.385 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.956 2.835 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.023 3.714 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.626 1.979 -2.880 1.00 0.00 H new ATOM 450 N VAL A 33 -0.452 4.889 -2.895 1.00 0.00 N ATOM 451 CA VAL A 33 0.352 5.633 -1.940 1.00 0.00 C ATOM 452 C VAL A 33 -0.490 6.762 -1.341 1.00 0.00 C ATOM 453 O VAL A 33 -1.129 7.518 -2.070 1.00 0.00 O ATOM 454 CB VAL A 33 1.632 6.134 -2.612 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.641 6.624 -1.572 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.244 5.051 -3.502 1.00 0.00 C ATOM 0 H VAL A 33 -0.494 5.299 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 33 0.663 4.988 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 33 1.368 6.980 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.542 6.975 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.204 7.442 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.897 5.805 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.152 5.433 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.486 4.177 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.530 4.770 -4.276 1.00 0.00 H new ATOM 466 N ARG A 34 -0.462 6.839 -0.019 1.00 0.00 N ATOM 467 CA ARG A 34 -1.215 7.863 0.687 1.00 0.00 C ATOM 468 C ARG A 34 -0.463 8.302 1.945 1.00 0.00 C ATOM 469 O ARG A 34 0.090 7.471 2.664 1.00 0.00 O ATOM 470 CB ARG A 34 -2.602 7.352 1.082 1.00 0.00 C ATOM 471 CG ARG A 34 -2.531 5.913 1.597 1.00 0.00 C ATOM 472 CD ARG A 34 -3.853 5.496 2.242 1.00 0.00 C ATOM 473 NE ARG A 34 -3.598 4.860 3.554 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.343 5.539 4.681 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.308 6.878 4.663 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.123 4.878 5.826 1.00 0.00 N ATOM 0 H ARG A 34 0.070 6.210 0.582 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.331 8.713 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.025 7.997 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.270 7.402 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.296 5.239 0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.723 5.822 2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.495 6.367 2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.383 4.802 1.589 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.618 3.841 3.603 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.475 7.381 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.114 7.395 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.150 3.858 5.840 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.929 5.395 6.684 1.00 0.00 H new ATOM 490 N GLU A 35 -0.467 9.607 2.172 1.00 0.00 N ATOM 491 CA GLU A 35 0.208 10.167 3.331 1.00 0.00 C ATOM 492 C GLU A 35 -0.478 9.705 4.619 1.00 0.00 C ATOM 493 O GLU A 35 -1.705 9.701 4.706 1.00 0.00 O ATOM 494 CB GLU A 35 0.256 11.694 3.253 1.00 0.00 C ATOM 495 CG GLU A 35 1.603 12.226 3.747 1.00 0.00 C ATOM 496 CD GLU A 35 1.498 13.699 4.146 1.00 0.00 C ATOM 497 OE1 GLU A 35 1.129 13.946 5.314 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.789 14.545 3.273 1.00 0.00 O ATOM 0 H GLU A 35 -0.927 10.293 1.573 1.00 0.00 H new ATOM 0 HA GLU A 35 1.236 9.804 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.089 12.015 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.549 12.118 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.939 11.638 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.353 12.110 2.964 1.00 0.00 H new ATOM 505 N SER A 36 0.344 9.327 5.586 1.00 0.00 N ATOM 506 CA SER A 36 -0.168 8.864 6.865 1.00 0.00 C ATOM 507 C SER A 36 -0.708 10.047 7.671 1.00 0.00 C ATOM 508 O SER A 36 0.062 10.821 8.236 1.00 0.00 O ATOM 509 CB SER A 36 0.916 8.132 7.659 1.00 0.00 C ATOM 510 OG SER A 36 0.591 6.759 7.866 1.00 0.00 O ATOM 0 H SER A 36 1.361 9.332 5.510 1.00 0.00 H new ATOM 0 HA SER A 36 -0.979 8.161 6.675 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.865 8.204 7.128 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.052 8.622 8.623 1.00 0.00 H new ATOM 0 HG SER A 36 1.308 6.326 8.375 1.00 0.00 H new ATOM 516 N LEU A 37 -2.029 10.149 7.698 1.00 0.00 N ATOM 517 CA LEU A 37 -2.682 11.224 8.426 1.00 0.00 C ATOM 518 C LEU A 37 -2.312 11.130 9.907 1.00 0.00 C ATOM 519 O LEU A 37 -1.897 12.118 10.511 1.00 0.00 O ATOM 520 CB LEU A 37 -4.189 11.209 8.166 1.00 0.00 C ATOM 521 CG LEU A 37 -4.682 12.097 7.022 1.00 0.00 C ATOM 522 CD1 LEU A 37 -3.866 11.856 5.750 1.00 0.00 C ATOM 523 CD2 LEU A 37 -6.182 11.905 6.786 1.00 0.00 C ATOM 0 H LEU A 37 -2.665 9.505 7.227 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.331 12.193 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.491 10.183 7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.698 11.513 9.081 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.532 13.138 7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.237 12.500 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.817 12.084 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.962 10.813 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.507 12.548 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.380 10.864 6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.729 12.166 7.692 1.00 0.00 H new ATOM 535 N SER A 38 -2.475 9.932 10.450 1.00 0.00 N ATOM 536 CA SER A 38 -2.164 9.696 11.850 1.00 0.00 C ATOM 537 C SER A 38 -0.667 9.894 12.093 1.00 0.00 C ATOM 538 O SER A 38 -0.257 10.277 13.188 1.00 0.00 O ATOM 539 CB SER A 38 -2.590 8.291 12.279 1.00 0.00 C ATOM 540 OG SER A 38 -3.283 8.300 13.524 1.00 0.00 O ATOM 0 H SER A 38 -2.818 9.115 9.946 1.00 0.00 H new ATOM 0 HA SER A 38 -2.722 10.415 12.451 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.230 7.856 11.511 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.709 7.654 12.359 1.00 0.00 H new ATOM 0 HG SER A 38 -3.540 7.385 13.762 1.00 0.00 H new ATOM 546 N GLN A 39 0.110 9.625 11.054 1.00 0.00 N ATOM 547 CA GLN A 39 1.553 9.769 11.141 1.00 0.00 C ATOM 548 C GLN A 39 2.052 10.761 10.089 1.00 0.00 C ATOM 549 O GLN A 39 2.316 10.383 8.949 1.00 0.00 O ATOM 550 CB GLN A 39 2.250 8.415 10.991 1.00 0.00 C ATOM 551 CG GLN A 39 2.869 7.967 12.317 1.00 0.00 C ATOM 552 CD GLN A 39 1.807 7.381 13.249 1.00 0.00 C ATOM 553 OE1 GLN A 39 1.080 6.463 12.905 1.00 0.00 O ATOM 554 NE2 GLN A 39 1.757 7.962 14.444 1.00 0.00 N ATOM 0 H GLN A 39 -0.233 9.308 10.147 1.00 0.00 H new ATOM 0 HA GLN A 39 1.800 10.160 12.128 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.533 7.669 10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.026 8.484 10.228 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.642 7.223 12.128 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.354 8.815 12.801 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.395 8.726 14.667 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.081 7.644 15.138 1.00 0.00 H new ATOM 563 N PRO A 40 2.171 12.046 10.521 1.00 0.00 N ATOM 564 CA PRO A 40 2.634 13.095 9.630 1.00 0.00 C ATOM 565 C PRO A 40 4.143 12.996 9.403 1.00 0.00 C ATOM 566 O PRO A 40 4.929 13.213 10.324 1.00 0.00 O ATOM 567 CB PRO A 40 2.218 14.394 10.301 1.00 0.00 C ATOM 568 CG PRO A 40 1.955 14.044 11.757 1.00 0.00 C ATOM 569 CD PRO A 40 1.868 12.530 11.865 1.00 0.00 C ATOM 0 HA PRO A 40 2.200 13.021 8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.002 15.147 10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.326 14.808 9.831 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.754 14.427 12.392 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.028 14.505 12.099 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.579 12.143 12.595 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.876 12.212 12.187 1.00 0.00 H new ATOM 577 N GLY A 41 4.504 12.668 8.171 1.00 0.00 N ATOM 578 CA GLY A 41 5.906 12.537 7.811 1.00 0.00 C ATOM 579 C GLY A 41 6.178 11.185 7.148 1.00 0.00 C ATOM 580 O GLY A 41 7.168 11.028 6.435 1.00 0.00 O ATOM 0 H GLY A 41 3.850 12.489 7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.188 13.342 7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.525 12.640 8.702 1.00 0.00 H new ATOM 584 N ASP A 42 5.283 10.244 7.408 1.00 0.00 N ATOM 585 CA ASP A 42 5.414 8.911 6.845 1.00 0.00 C ATOM 586 C ASP A 42 4.346 8.709 5.769 1.00 0.00 C ATOM 587 O ASP A 42 3.648 9.651 5.397 1.00 0.00 O ATOM 588 CB ASP A 42 5.213 7.838 7.918 1.00 0.00 C ATOM 589 CG ASP A 42 6.475 7.063 8.302 1.00 0.00 C ATOM 590 OD1 ASP A 42 7.528 7.356 7.694 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.359 6.196 9.194 1.00 0.00 O ATOM 0 H ASP A 42 4.464 10.378 8.001 1.00 0.00 H new ATOM 0 HA ASP A 42 6.416 8.819 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.809 8.312 8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.463 7.130 7.566 1.00 0.00 H new ATOM 596 N PHE A 43 4.252 7.474 5.298 1.00 0.00 N ATOM 597 CA PHE A 43 3.281 7.137 4.271 1.00 0.00 C ATOM 598 C PHE A 43 2.797 5.694 4.427 1.00 0.00 C ATOM 599 O PHE A 43 3.478 4.869 5.034 1.00 0.00 O ATOM 600 CB PHE A 43 3.987 7.282 2.922 1.00 0.00 C ATOM 601 CG PHE A 43 4.613 8.659 2.692 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.876 9.656 2.132 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.906 8.887 3.047 1.00 0.00 C ATOM 604 CE1 PHE A 43 4.456 10.934 1.918 1.00 0.00 C ATOM 605 CE2 PHE A 43 6.486 10.165 2.833 1.00 0.00 C ATOM 606 CZ PHE A 43 5.749 11.162 2.274 1.00 0.00 C ATOM 0 H PHE A 43 4.832 6.695 5.609 1.00 0.00 H new ATOM 0 HA PHE A 43 2.414 7.794 4.349 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.766 6.523 2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.271 7.082 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.849 9.475 1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.491 8.096 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.871 11.725 1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.513 10.346 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.190 12.135 2.113 1.00 0.00 H new ATOM 616 N VAL A 44 1.624 5.433 3.869 1.00 0.00 N ATOM 617 CA VAL A 44 1.041 4.104 3.939 1.00 0.00 C ATOM 618 C VAL A 44 0.848 3.561 2.521 1.00 0.00 C ATOM 619 O VAL A 44 0.561 4.319 1.596 1.00 0.00 O ATOM 620 CB VAL A 44 -0.259 4.144 4.745 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.863 2.745 4.882 1.00 0.00 C ATOM 622 CG2 VAL A 44 -0.033 4.780 6.118 1.00 0.00 C ATOM 0 H VAL A 44 1.061 6.120 3.366 1.00 0.00 H new ATOM 0 HA VAL A 44 1.711 3.421 4.461 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.971 4.764 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.786 2.802 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.078 2.343 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.156 2.092 5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.972 4.796 6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.704 4.198 6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.331 5.800 5.991 1.00 0.00 H new ATOM 632 N LEU A 45 1.014 2.252 2.395 1.00 0.00 N ATOM 633 CA LEU A 45 0.862 1.599 1.106 1.00 0.00 C ATOM 634 C LEU A 45 -0.152 0.461 1.233 1.00 0.00 C ATOM 635 O LEU A 45 0.185 -0.627 1.697 1.00 0.00 O ATOM 636 CB LEU A 45 2.223 1.154 0.568 1.00 0.00 C ATOM 637 CG LEU A 45 2.202 0.386 -0.756 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.698 1.273 -1.896 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.575 -0.216 -1.062 1.00 0.00 C ATOM 0 H LEU A 45 1.252 1.626 3.165 1.00 0.00 H new ATOM 0 HA LEU A 45 0.467 2.297 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.849 2.038 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.702 0.528 1.321 1.00 0.00 H new ATOM 0 HG LEU A 45 1.501 -0.443 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.693 0.703 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.687 1.612 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.355 2.136 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.533 -0.756 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.315 0.582 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.857 -0.903 -0.264 1.00 0.00 H new ATOM 651 N SER A 46 -1.375 0.751 0.812 1.00 0.00 N ATOM 652 CA SER A 46 -2.440 -0.235 0.872 1.00 0.00 C ATOM 653 C SER A 46 -2.523 -0.997 -0.452 1.00 0.00 C ATOM 654 O SER A 46 -2.810 -0.410 -1.494 1.00 0.00 O ATOM 655 CB SER A 46 -3.784 0.424 1.190 1.00 0.00 C ATOM 656 OG SER A 46 -3.660 1.434 2.188 1.00 0.00 O ATOM 0 H SER A 46 -1.651 1.655 0.428 1.00 0.00 H new ATOM 0 HA SER A 46 -2.211 -0.937 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.198 0.861 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.489 -0.335 1.528 1.00 0.00 H new ATOM 0 HG SER A 46 -3.799 1.038 3.073 1.00 0.00 H new ATOM 662 N VAL A 47 -2.267 -2.295 -0.369 1.00 0.00 N ATOM 663 CA VAL A 47 -2.309 -3.143 -1.547 1.00 0.00 C ATOM 664 C VAL A 47 -3.449 -4.154 -1.402 1.00 0.00 C ATOM 665 O VAL A 47 -3.628 -4.744 -0.339 1.00 0.00 O ATOM 666 CB VAL A 47 -0.947 -3.806 -1.764 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.005 -4.814 -2.914 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.140 -2.757 -2.009 1.00 0.00 C ATOM 0 H VAL A 47 -2.030 -2.779 0.497 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.512 -2.549 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.690 -4.349 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.024 -5.271 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.737 -5.588 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.295 -4.303 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.098 -3.254 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.110 -2.174 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.207 -2.094 -1.146 1.00 0.00 H new ATOM 678 N LEU A 48 -4.190 -4.321 -2.488 1.00 0.00 N ATOM 679 CA LEU A 48 -5.308 -5.250 -2.495 1.00 0.00 C ATOM 680 C LEU A 48 -4.802 -6.647 -2.857 1.00 0.00 C ATOM 681 O LEU A 48 -4.115 -6.821 -3.863 1.00 0.00 O ATOM 682 CB LEU A 48 -6.421 -4.742 -3.413 1.00 0.00 C ATOM 683 CG LEU A 48 -7.837 -5.211 -3.074 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.237 -4.773 -1.664 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.839 -4.736 -4.128 1.00 0.00 C ATOM 0 H LEU A 48 -4.038 -3.829 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.752 -5.319 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.407 -3.652 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.192 -5.050 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.848 -6.301 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.248 -5.119 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.544 -5.202 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.204 -3.686 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.838 -5.083 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.833 -3.647 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.561 -5.139 -5.102 1.00 0.00 H new ATOM 697 N SER A 49 -5.160 -7.608 -2.018 1.00 0.00 N ATOM 698 CA SER A 49 -4.751 -8.985 -2.237 1.00 0.00 C ATOM 699 C SER A 49 -5.882 -9.766 -2.908 1.00 0.00 C ATOM 700 O SER A 49 -7.034 -9.337 -2.889 1.00 0.00 O ATOM 701 CB SER A 49 -4.348 -9.656 -0.923 1.00 0.00 C ATOM 702 OG SER A 49 -5.310 -10.617 -0.498 1.00 0.00 O ATOM 0 H SER A 49 -5.729 -7.460 -1.185 1.00 0.00 H new ATOM 0 HA SER A 49 -3.881 -8.983 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.380 -10.142 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.228 -8.897 -0.150 1.00 0.00 H new ATOM 0 HG SER A 49 -5.400 -10.581 0.477 1.00 0.00 H new ATOM 708 N ASP A 50 -5.514 -10.901 -3.485 1.00 0.00 N ATOM 709 CA ASP A 50 -6.483 -11.747 -4.160 1.00 0.00 C ATOM 710 C ASP A 50 -7.021 -12.786 -3.174 1.00 0.00 C ATOM 711 O ASP A 50 -7.475 -13.855 -3.579 1.00 0.00 O ATOM 712 CB ASP A 50 -5.842 -12.494 -5.331 1.00 0.00 C ATOM 713 CG ASP A 50 -5.133 -13.797 -4.956 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.741 -13.910 -3.775 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.999 -14.650 -5.860 1.00 0.00 O ATOM 0 H ASP A 50 -4.557 -11.254 -3.499 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.284 -11.109 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.615 -12.717 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.123 -11.833 -5.814 1.00 0.00 H new ATOM 720 N GLN A 51 -6.951 -12.436 -1.898 1.00 0.00 N ATOM 721 CA GLN A 51 -7.426 -13.325 -0.851 1.00 0.00 C ATOM 722 C GLN A 51 -8.660 -12.732 -0.170 1.00 0.00 C ATOM 723 O GLN A 51 -8.553 -11.772 0.592 1.00 0.00 O ATOM 724 CB GLN A 51 -6.321 -13.610 0.168 1.00 0.00 C ATOM 725 CG GLN A 51 -5.279 -14.572 -0.407 1.00 0.00 C ATOM 726 CD GLN A 51 -4.974 -15.702 0.579 1.00 0.00 C ATOM 727 OE1 GLN A 51 -4.040 -15.642 1.362 1.00 0.00 O ATOM 728 NE2 GLN A 51 -5.810 -16.732 0.497 1.00 0.00 N ATOM 0 H GLN A 51 -6.573 -11.549 -1.565 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.708 -14.274 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.839 -12.676 0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.756 -14.037 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.644 -14.991 -1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.363 -14.027 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.572 -16.718 -0.181 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.690 -17.536 1.112 1.00 0.00 H new ATOM 737 N PRO A 52 -9.836 -13.344 -0.476 1.00 0.00 N ATOM 738 CA PRO A 52 -11.090 -12.887 0.098 1.00 0.00 C ATOM 739 C PRO A 52 -11.209 -13.312 1.563 1.00 0.00 C ATOM 740 O PRO A 52 -10.371 -14.058 2.067 1.00 0.00 O ATOM 741 CB PRO A 52 -12.170 -13.489 -0.786 1.00 0.00 C ATOM 742 CG PRO A 52 -11.505 -14.631 -1.537 1.00 0.00 C ATOM 743 CD PRO A 52 -10.001 -14.484 -1.373 1.00 0.00 C ATOM 0 HA PRO A 52 -11.172 -11.800 0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.008 -13.850 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.568 -12.746 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.840 -15.592 -1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.778 -14.604 -2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.558 -15.387 -0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.513 -14.307 -2.332 1.00 0.00 H new ATOM 751 N LYS A 53 -12.259 -12.821 2.205 1.00 0.00 N ATOM 752 CA LYS A 53 -12.500 -13.141 3.601 1.00 0.00 C ATOM 753 C LYS A 53 -13.440 -14.345 3.690 1.00 0.00 C ATOM 754 O LYS A 53 -13.211 -15.259 4.480 1.00 0.00 O ATOM 755 CB LYS A 53 -13.006 -11.909 4.354 1.00 0.00 C ATOM 756 CG LYS A 53 -11.939 -10.813 4.393 1.00 0.00 C ATOM 757 CD LYS A 53 -12.577 -9.424 4.320 1.00 0.00 C ATOM 758 CE LYS A 53 -12.916 -8.902 5.717 1.00 0.00 C ATOM 759 NZ LYS A 53 -14.287 -9.306 6.102 1.00 0.00 N ATOM 0 H LYS A 53 -12.953 -12.203 1.783 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.569 -13.426 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.906 -11.528 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.283 -12.188 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.355 -10.901 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.248 -10.944 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.895 -8.732 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.482 -9.467 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.199 -9.290 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.832 -7.815 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.502 -8.944 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.968 -8.915 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.356 -10.344 6.103 1.00 0.00 H new ATOM 773 N ALA A 54 -14.477 -14.307 2.867 1.00 0.00 N ATOM 774 CA ALA A 54 -15.453 -15.383 2.842 1.00 0.00 C ATOM 775 C ALA A 54 -15.391 -16.091 1.487 1.00 0.00 C ATOM 776 O ALA A 54 -15.722 -17.271 1.383 1.00 0.00 O ATOM 777 CB ALA A 54 -16.843 -14.820 3.142 1.00 0.00 C ATOM 0 H ALA A 54 -14.663 -13.548 2.212 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.228 -16.122 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.575 -15.628 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.842 -14.354 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.104 -14.076 2.389 1.00 0.00 H new ATOM 783 N GLY A 55 -14.964 -15.340 0.482 1.00 0.00 N ATOM 784 CA GLY A 55 -14.854 -15.880 -0.862 1.00 0.00 C ATOM 785 C GLY A 55 -15.602 -15.003 -1.869 1.00 0.00 C ATOM 786 O GLY A 55 -15.378 -13.795 -1.931 1.00 0.00 O ATOM 0 H GLY A 55 -14.690 -14.362 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.804 -15.950 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.258 -16.892 -0.885 1.00 0.00 H new ATOM 790 N PRO A 56 -16.497 -15.662 -2.652 1.00 0.00 N ATOM 791 CA PRO A 56 -17.278 -14.955 -3.653 1.00 0.00 C ATOM 792 C PRO A 56 -18.397 -14.140 -3.000 1.00 0.00 C ATOM 793 O PRO A 56 -19.344 -14.705 -2.454 1.00 0.00 O ATOM 794 CB PRO A 56 -17.798 -16.039 -4.583 1.00 0.00 C ATOM 795 CG PRO A 56 -17.679 -17.343 -3.812 1.00 0.00 C ATOM 796 CD PRO A 56 -16.788 -17.092 -2.606 1.00 0.00 C ATOM 0 HA PRO A 56 -16.690 -14.223 -4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.833 -15.846 -4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.216 -16.075 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.662 -17.690 -3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.255 -18.123 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.291 -17.364 -1.678 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.874 -17.684 -2.658 1.00 0.00 H new ATOM 804 N GLY A 57 -18.251 -12.826 -3.078 1.00 0.00 N ATOM 805 CA GLY A 57 -19.237 -11.928 -2.501 1.00 0.00 C ATOM 806 C GLY A 57 -18.672 -11.209 -1.274 1.00 0.00 C ATOM 807 O GLY A 57 -19.354 -10.387 -0.663 1.00 0.00 O ATOM 0 H GLY A 57 -17.465 -12.361 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.547 -11.195 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.127 -12.491 -2.219 1.00 0.00 H new ATOM 811 N SER A 58 -17.432 -11.544 -0.950 1.00 0.00 N ATOM 812 CA SER A 58 -16.769 -10.941 0.193 1.00 0.00 C ATOM 813 C SER A 58 -15.651 -10.010 -0.281 1.00 0.00 C ATOM 814 O SER A 58 -15.102 -10.196 -1.366 1.00 0.00 O ATOM 815 CB SER A 58 -16.205 -12.011 1.131 1.00 0.00 C ATOM 816 OG SER A 58 -15.247 -12.841 0.480 1.00 0.00 O ATOM 0 H SER A 58 -16.869 -12.225 -1.459 1.00 0.00 H new ATOM 0 HA SER A 58 -17.506 -10.361 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.742 -11.530 1.993 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.020 -12.627 1.510 1.00 0.00 H new ATOM 0 HG SER A 58 -15.336 -12.743 -0.491 1.00 0.00 H new ATOM 822 N PRO A 59 -15.340 -9.001 0.576 1.00 0.00 N ATOM 823 CA PRO A 59 -14.299 -8.040 0.255 1.00 0.00 C ATOM 824 C PRO A 59 -12.910 -8.660 0.426 1.00 0.00 C ATOM 825 O PRO A 59 -12.678 -9.424 1.361 1.00 0.00 O ATOM 826 CB PRO A 59 -14.544 -6.867 1.189 1.00 0.00 C ATOM 827 CG PRO A 59 -15.420 -7.403 2.310 1.00 0.00 C ATOM 828 CD PRO A 59 -15.970 -8.749 1.869 1.00 0.00 C ATOM 0 HA PRO A 59 -14.331 -7.717 -0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.605 -6.476 1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.037 -6.047 0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.842 -7.509 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.234 -6.710 2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.726 -9.531 2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.056 -8.724 1.782 1.00 0.00 H new ATOM 836 N LEU A 60 -12.023 -8.307 -0.493 1.00 0.00 N ATOM 837 CA LEU A 60 -10.663 -8.819 -0.456 1.00 0.00 C ATOM 838 C LEU A 60 -9.867 -8.061 0.609 1.00 0.00 C ATOM 839 O LEU A 60 -9.817 -6.832 0.595 1.00 0.00 O ATOM 840 CB LEU A 60 -10.033 -8.766 -1.849 1.00 0.00 C ATOM 841 CG LEU A 60 -10.613 -9.733 -2.884 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.098 -9.407 -4.287 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.334 -11.186 -2.494 1.00 0.00 C ATOM 0 H LEU A 60 -12.219 -7.673 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.659 -9.871 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.133 -7.751 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.966 -8.966 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.696 -9.607 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.525 -10.109 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.390 -8.392 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.011 -9.488 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.757 -11.852 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.258 -11.346 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.789 -11.397 -1.526 1.00 0.00 H new ATOM 855 N ARG A 61 -9.262 -8.827 1.506 1.00 0.00 N ATOM 856 CA ARG A 61 -8.470 -8.243 2.575 1.00 0.00 C ATOM 857 C ARG A 61 -7.546 -7.158 2.020 1.00 0.00 C ATOM 858 O ARG A 61 -7.235 -7.152 0.829 1.00 0.00 O ATOM 859 CB ARG A 61 -7.629 -9.308 3.281 1.00 0.00 C ATOM 860 CG ARG A 61 -8.261 -9.710 4.616 1.00 0.00 C ATOM 861 CD ARG A 61 -7.578 -10.951 5.194 1.00 0.00 C ATOM 862 NE ARG A 61 -7.568 -10.880 6.672 1.00 0.00 N ATOM 863 CZ ARG A 61 -8.575 -11.297 7.451 1.00 0.00 C ATOM 864 NH1 ARG A 61 -9.679 -11.817 6.898 1.00 0.00 N ATOM 865 NH2 ARG A 61 -8.478 -11.194 8.784 1.00 0.00 N ATOM 0 H ARG A 61 -9.305 -9.846 1.514 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.159 -7.803 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.534 -10.185 2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.622 -8.927 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.182 -8.884 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.324 -9.908 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.102 -11.850 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.557 -11.023 4.818 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.743 -10.489 7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.753 -11.895 5.884 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.446 -12.134 7.491 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.638 -10.798 9.205 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.245 -11.511 9.377 1.00 0.00 H new ATOM 879 N VAL A 62 -7.132 -6.266 2.908 1.00 0.00 N ATOM 880 CA VAL A 62 -6.249 -5.179 2.521 1.00 0.00 C ATOM 881 C VAL A 62 -4.957 -5.262 3.337 1.00 0.00 C ATOM 882 O VAL A 62 -4.977 -5.672 4.496 1.00 0.00 O ATOM 883 CB VAL A 62 -6.970 -3.839 2.678 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.039 -2.673 2.340 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.237 -3.794 1.822 1.00 0.00 C ATOM 0 H VAL A 62 -7.392 -6.274 3.894 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.975 -5.265 1.469 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.267 -3.739 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.576 -1.732 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.179 -2.688 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.697 -2.767 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.730 -2.831 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.972 -3.927 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.913 -4.592 2.130 1.00 0.00 H new ATOM 895 N THR A 63 -3.866 -4.867 2.698 1.00 0.00 N ATOM 896 CA THR A 63 -2.567 -4.891 3.350 1.00 0.00 C ATOM 897 C THR A 63 -1.927 -3.502 3.315 1.00 0.00 C ATOM 898 O THR A 63 -1.655 -2.968 2.241 1.00 0.00 O ATOM 899 CB THR A 63 -1.719 -5.969 2.673 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.064 -7.167 3.364 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.224 -5.797 2.949 1.00 0.00 C ATOM 0 H THR A 63 -3.854 -4.529 1.736 1.00 0.00 H new ATOM 0 HA THR A 63 -2.658 -5.145 4.406 1.00 0.00 H new ATOM 0 HB THR A 63 -1.894 -5.946 1.597 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.247 -7.631 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.332 -6.588 2.446 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.106 -4.827 2.576 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.043 -5.853 4.022 1.00 0.00 H new ATOM 909 N HIS A 64 -1.704 -2.958 4.502 1.00 0.00 N ATOM 910 CA HIS A 64 -1.100 -1.642 4.620 1.00 0.00 C ATOM 911 C HIS A 64 0.405 -1.787 4.856 1.00 0.00 C ATOM 912 O HIS A 64 0.830 -2.235 5.919 1.00 0.00 O ATOM 913 CB HIS A 64 -1.794 -0.822 5.709 1.00 0.00 C ATOM 914 CG HIS A 64 -3.290 -0.710 5.535 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.904 0.428 5.042 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.286 -1.605 5.792 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.211 0.216 5.008 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.446 -1.044 5.474 1.00 0.00 N ATOM 0 H HIS A 64 -1.931 -3.405 5.391 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.235 -1.091 3.689 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.584 -1.274 6.679 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.364 0.180 5.724 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.431 1.284 4.754 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.153 -2.601 6.187 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.959 0.918 4.670 1.00 0.00 H new ATOM 926 N ILE A 65 1.170 -1.399 3.846 1.00 0.00 N ATOM 927 CA ILE A 65 2.618 -1.480 3.929 1.00 0.00 C ATOM 928 C ILE A 65 3.177 -0.119 4.348 1.00 0.00 C ATOM 929 O ILE A 65 3.428 0.739 3.504 1.00 0.00 O ATOM 930 CB ILE A 65 3.202 -2.008 2.617 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.740 -3.442 2.348 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.727 -1.885 2.606 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.768 -3.493 1.168 1.00 0.00 C ATOM 0 H ILE A 65 0.814 -1.027 2.965 1.00 0.00 H new ATOM 0 HA ILE A 65 2.916 -2.197 4.694 1.00 0.00 H new ATOM 0 HB ILE A 65 2.824 -1.390 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.604 -4.073 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.258 -3.846 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.116 -2.267 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.008 -0.838 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.145 -2.462 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.455 -4.523 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.894 -2.880 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.261 -3.112 0.274 1.00 0.00 H new ATOM 945 N LYS A 66 3.356 0.035 5.652 1.00 0.00 N ATOM 946 CA LYS A 66 3.882 1.277 6.193 1.00 0.00 C ATOM 947 C LYS A 66 5.233 1.581 5.543 1.00 0.00 C ATOM 948 O LYS A 66 6.017 0.670 5.279 1.00 0.00 O ATOM 949 CB LYS A 66 3.934 1.216 7.721 1.00 0.00 C ATOM 950 CG LYS A 66 2.570 1.549 8.330 1.00 0.00 C ATOM 951 CD LYS A 66 2.507 1.124 9.798 1.00 0.00 C ATOM 952 CE LYS A 66 1.656 2.098 10.615 1.00 0.00 C ATOM 953 NZ LYS A 66 0.993 1.394 11.735 1.00 0.00 N ATOM 0 H LYS A 66 3.146 -0.679 6.349 1.00 0.00 H new ATOM 0 HA LYS A 66 3.219 2.108 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.245 0.221 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.682 1.917 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.383 2.620 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.784 1.045 7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.089 0.120 9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.515 1.081 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.283 2.901 11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.906 2.561 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.420 2.070 12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.379 0.644 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.714 0.973 12.356 1.00 0.00 H new ATOM 967 N VAL A 67 5.464 2.863 5.304 1.00 0.00 N ATOM 968 CA VAL A 67 6.707 3.298 4.689 1.00 0.00 C ATOM 969 C VAL A 67 7.496 4.144 5.690 1.00 0.00 C ATOM 970 O VAL A 67 7.111 5.272 5.995 1.00 0.00 O ATOM 971 CB VAL A 67 6.414 4.036 3.382 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.679 4.697 2.830 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.792 3.095 2.348 1.00 0.00 C ATOM 0 H VAL A 67 4.812 3.615 5.525 1.00 0.00 H new ATOM 0 HA VAL A 67 7.326 2.439 4.429 1.00 0.00 H new ATOM 0 HB VAL A 67 5.691 4.823 3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.443 5.215 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.062 5.413 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.434 3.935 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.594 3.645 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.481 2.277 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.857 2.692 2.738 1.00 0.00 H new ATOM 983 N MET A 68 8.587 3.568 6.173 1.00 0.00 N ATOM 984 CA MET A 68 9.434 4.255 7.133 1.00 0.00 C ATOM 985 C MET A 68 10.372 5.239 6.431 1.00 0.00 C ATOM 986 O MET A 68 11.246 4.831 5.667 1.00 0.00 O ATOM 987 CB MET A 68 10.260 3.229 7.912 1.00 0.00 C ATOM 988 CG MET A 68 9.441 2.618 9.051 1.00 0.00 C ATOM 989 SD MET A 68 10.168 1.070 9.563 1.00 0.00 S ATOM 990 CE MET A 68 9.204 -0.065 8.579 1.00 0.00 C ATOM 0 H MET A 68 8.904 2.633 5.917 1.00 0.00 H new ATOM 0 HA MET A 68 8.796 4.815 7.817 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.597 2.441 7.238 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.153 3.707 8.316 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.404 3.308 9.894 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.413 2.457 8.725 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.402 -1.087 8.903 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.144 0.156 8.703 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.476 0.042 7.529 1.00 0.00 H new ATOM 1000 N CYS A 69 10.160 6.515 6.715 1.00 0.00 N ATOM 1001 CA CYS A 69 10.975 7.560 6.120 1.00 0.00 C ATOM 1002 C CYS A 69 11.995 8.025 7.162 1.00 0.00 C ATOM 1003 O CYS A 69 11.703 8.901 7.974 1.00 0.00 O ATOM 1004 CB CYS A 69 10.121 8.719 5.602 1.00 0.00 C ATOM 1005 SG CYS A 69 11.196 10.035 4.923 1.00 0.00 S ATOM 0 H CYS A 69 9.435 6.849 7.350 1.00 0.00 H new ATOM 0 HA CYS A 69 11.499 7.164 5.250 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.438 8.362 4.831 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.508 9.119 6.410 1.00 0.00 H new ATOM 0 HG CYS A 69 11.123 10.028 3.625 1.00 0.00 H new ATOM 1011 N GLU A 70 13.171 7.416 7.104 1.00 0.00 N ATOM 1012 CA GLU A 70 14.236 7.757 8.033 1.00 0.00 C ATOM 1013 C GLU A 70 15.512 8.113 7.268 1.00 0.00 C ATOM 1014 O GLU A 70 15.896 7.412 6.333 1.00 0.00 O ATOM 1015 CB GLU A 70 14.488 6.615 9.020 1.00 0.00 C ATOM 1016 CG GLU A 70 13.195 6.209 9.731 1.00 0.00 C ATOM 1017 CD GLU A 70 13.415 6.086 11.240 1.00 0.00 C ATOM 1018 OE1 GLU A 70 13.234 7.115 11.925 1.00 0.00 O ATOM 1019 OE2 GLU A 70 13.759 4.965 11.674 1.00 0.00 O ATOM 0 H GLU A 70 13.410 6.689 6.429 1.00 0.00 H new ATOM 0 HA GLU A 70 13.926 8.629 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.901 5.756 8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.231 6.923 9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.419 6.948 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.840 5.259 9.333 1.00 0.00 H new ATOM 1026 N GLY A 71 16.136 9.201 7.695 1.00 0.00 N ATOM 1027 CA GLY A 71 17.361 9.659 7.063 1.00 0.00 C ATOM 1028 C GLY A 71 17.158 9.868 5.561 1.00 0.00 C ATOM 1029 O GLY A 71 18.073 9.643 4.770 1.00 0.00 O ATOM 0 H GLY A 71 15.815 9.779 8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.685 10.593 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.154 8.930 7.228 1.00 0.00 H new ATOM 1033 N GLY A 72 15.953 10.296 5.213 1.00 0.00 N ATOM 1034 CA GLY A 72 15.619 10.539 3.820 1.00 0.00 C ATOM 1035 C GLY A 72 15.564 9.227 3.034 1.00 0.00 C ATOM 1036 O GLY A 72 15.651 9.231 1.807 1.00 0.00 O ATOM 0 H GLY A 72 15.196 10.481 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.656 11.046 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.360 11.203 3.375 1.00 0.00 H new ATOM 1040 N ARG A 73 15.420 8.137 3.772 1.00 0.00 N ATOM 1041 CA ARG A 73 15.352 6.821 3.159 1.00 0.00 C ATOM 1042 C ARG A 73 14.004 6.164 3.461 1.00 0.00 C ATOM 1043 O ARG A 73 13.541 6.184 4.600 1.00 0.00 O ATOM 1044 CB ARG A 73 16.478 5.918 3.667 1.00 0.00 C ATOM 1045 CG ARG A 73 17.849 6.508 3.331 1.00 0.00 C ATOM 1046 CD ARG A 73 18.500 5.754 2.170 1.00 0.00 C ATOM 1047 NE ARG A 73 19.725 5.068 2.637 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.909 5.673 2.802 1.00 0.00 C ATOM 1049 NH1 ARG A 73 21.036 6.981 2.538 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.967 4.970 3.229 1.00 0.00 N ATOM 0 H ARG A 73 15.348 8.138 4.789 1.00 0.00 H new ATOM 0 HA ARG A 73 15.464 6.950 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.388 5.790 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.385 4.928 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.742 7.561 3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.494 6.460 4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.800 5.027 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.746 6.448 1.367 1.00 0.00 H new ATOM 0 HE ARG A 73 19.664 4.072 2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.231 7.516 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.937 7.441 2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.871 3.974 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.868 5.431 3.355 1.00 0.00 H new ATOM 1064 N TYR A 74 13.413 5.596 2.420 1.00 0.00 N ATOM 1065 CA TYR A 74 12.127 4.933 2.559 1.00 0.00 C ATOM 1066 C TYR A 74 12.299 3.415 2.640 1.00 0.00 C ATOM 1067 O TYR A 74 13.068 2.832 1.878 1.00 0.00 O ATOM 1068 CB TYR A 74 11.335 5.279 1.297 1.00 0.00 C ATOM 1069 CG TYR A 74 10.965 6.758 1.180 1.00 0.00 C ATOM 1070 CD1 TYR A 74 10.345 7.400 2.233 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.249 7.452 0.021 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.996 8.792 2.123 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.900 8.844 -0.089 1.00 0.00 C ATOM 1074 CZ TYR A 74 10.291 9.446 0.967 1.00 0.00 C ATOM 1075 OH TYR A 74 9.961 10.761 0.864 1.00 0.00 O ATOM 0 H TYR A 74 13.801 5.581 1.477 1.00 0.00 H new ATOM 0 HA TYR A 74 11.624 5.258 3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.920 4.991 0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.422 4.684 1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.122 6.858 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.733 6.950 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.511 9.306 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.117 9.398 -0.990 1.00 0.00 H new ATOM 0 HH TYR A 74 10.232 11.098 -0.015 1.00 0.00 H new ATOM 1085 N THR A 75 11.568 2.818 3.571 1.00 0.00 N ATOM 1086 CA THR A 75 11.630 1.379 3.761 1.00 0.00 C ATOM 1087 C THR A 75 10.336 0.869 4.399 1.00 0.00 C ATOM 1088 O THR A 75 9.727 1.562 5.213 1.00 0.00 O ATOM 1089 CB THR A 75 12.879 1.064 4.586 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.662 -0.265 5.053 1.00 0.00 O ATOM 1091 CG2 THR A 75 12.962 1.899 5.866 1.00 0.00 C ATOM 0 H THR A 75 10.930 3.305 4.201 1.00 0.00 H new ATOM 0 HA THR A 75 11.713 0.858 2.807 1.00 0.00 H new ATOM 0 HB THR A 75 13.767 1.240 3.979 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.523 -0.725 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.867 1.636 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.988 2.958 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.090 1.699 6.488 1.00 0.00 H new ATOM 1099 N VAL A 76 9.956 -0.337 4.006 1.00 0.00 N ATOM 1100 CA VAL A 76 8.745 -0.948 4.529 1.00 0.00 C ATOM 1101 C VAL A 76 9.089 -1.762 5.778 1.00 0.00 C ATOM 1102 O VAL A 76 8.240 -2.475 6.311 1.00 0.00 O ATOM 1103 CB VAL A 76 8.066 -1.781 3.440 1.00 0.00 C ATOM 1104 CG1 VAL A 76 7.873 -0.960 2.163 1.00 0.00 C ATOM 1105 CG2 VAL A 76 8.856 -3.060 3.156 1.00 0.00 C ATOM 0 H VAL A 76 10.465 -0.908 3.331 1.00 0.00 H new ATOM 0 HA VAL A 76 8.029 -0.182 4.827 1.00 0.00 H new ATOM 0 HB VAL A 76 7.080 -2.070 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.388 -1.575 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.250 -0.092 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.843 -0.627 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.352 -3.634 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.861 -2.801 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.919 -3.658 4.065 1.00 0.00 H new ATOM 1115 N GLY A 77 10.335 -1.630 6.208 1.00 0.00 N ATOM 1116 CA GLY A 77 10.801 -2.345 7.384 1.00 0.00 C ATOM 1117 C GLY A 77 11.903 -3.341 7.018 1.00 0.00 C ATOM 1118 O GLY A 77 12.226 -4.231 7.804 1.00 0.00 O ATOM 0 H GLY A 77 11.037 -1.038 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.177 -1.635 8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.968 -2.873 7.847 1.00 0.00 H new ATOM 1122 N GLY A 78 12.451 -3.158 5.826 1.00 0.00 N ATOM 1123 CA GLY A 78 13.510 -4.030 5.347 1.00 0.00 C ATOM 1124 C GLY A 78 14.831 -3.269 5.221 1.00 0.00 C ATOM 1125 O GLY A 78 14.882 -2.063 5.454 1.00 0.00 O ATOM 0 H GLY A 78 12.181 -2.418 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.633 -4.869 6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.233 -4.447 4.379 1.00 0.00 H new ATOM 1129 N LEU A 79 15.869 -4.006 4.852 1.00 0.00 N ATOM 1130 CA LEU A 79 17.187 -3.416 4.692 1.00 0.00 C ATOM 1131 C LEU A 79 17.173 -2.464 3.495 1.00 0.00 C ATOM 1132 O LEU A 79 17.659 -1.338 3.587 1.00 0.00 O ATOM 1133 CB LEU A 79 18.255 -4.508 4.597 1.00 0.00 C ATOM 1134 CG LEU A 79 19.003 -4.829 5.893 1.00 0.00 C ATOM 1135 CD1 LEU A 79 19.635 -6.221 5.830 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.034 -3.745 6.213 1.00 0.00 C ATOM 0 H LEU A 79 15.824 -5.007 4.659 1.00 0.00 H new ATOM 0 HA LEU A 79 17.448 -2.823 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.781 -5.422 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 79 18.985 -4.211 3.844 1.00 0.00 H new ATOM 0 HG LEU A 79 18.282 -4.839 6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.160 -6.425 6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.855 -6.968 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.340 -6.263 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.552 -3.997 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.757 -3.679 5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 79 19.529 -2.786 6.329 1.00 0.00 H new ATOM 1148 N GLU A 80 16.610 -2.951 2.399 1.00 0.00 N ATOM 1149 CA GLU A 80 16.526 -2.157 1.184 1.00 0.00 C ATOM 1150 C GLU A 80 15.791 -0.844 1.458 1.00 0.00 C ATOM 1151 O GLU A 80 14.849 -0.809 2.248 1.00 0.00 O ATOM 1152 CB GLU A 80 15.846 -2.943 0.062 1.00 0.00 C ATOM 1153 CG GLU A 80 16.741 -4.081 -0.433 1.00 0.00 C ATOM 1154 CD GLU A 80 16.119 -5.443 -0.119 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.058 -5.732 -0.712 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.720 -6.165 0.706 1.00 0.00 O ATOM 0 H GLU A 80 16.207 -3.885 2.327 1.00 0.00 H new ATOM 0 HA GLU A 80 17.538 -1.922 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.900 -3.349 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.612 -2.273 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.895 -3.986 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.722 -4.008 0.037 1.00 0.00 H new ATOM 1163 N THR A 81 16.250 0.204 0.791 1.00 0.00 N ATOM 1164 CA THR A 81 15.648 1.517 0.953 1.00 0.00 C ATOM 1165 C THR A 81 15.402 2.163 -0.412 1.00 0.00 C ATOM 1166 O THR A 81 15.632 1.540 -1.448 1.00 0.00 O ATOM 1167 CB THR A 81 16.557 2.345 1.863 1.00 0.00 C ATOM 1168 OG1 THR A 81 17.868 2.098 1.362 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.597 1.809 3.295 1.00 0.00 C ATOM 0 H THR A 81 17.032 0.171 0.137 1.00 0.00 H new ATOM 0 HA THR A 81 14.668 1.447 1.425 1.00 0.00 H new ATOM 0 HB THR A 81 16.215 3.380 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.521 2.598 1.894 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.256 2.433 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.593 1.827 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.971 0.785 3.290 1.00 0.00 H new ATOM 1177 N PHE A 82 14.940 3.404 -0.369 1.00 0.00 N ATOM 1178 CA PHE A 82 14.661 4.141 -1.590 1.00 0.00 C ATOM 1179 C PHE A 82 14.650 5.649 -1.329 1.00 0.00 C ATOM 1180 O PHE A 82 14.367 6.088 -0.215 1.00 0.00 O ATOM 1181 CB PHE A 82 13.273 3.708 -2.067 1.00 0.00 C ATOM 1182 CG PHE A 82 13.053 2.194 -2.046 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.380 1.444 -3.132 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.529 1.598 -0.941 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.176 0.039 -3.113 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.324 0.193 -0.922 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.652 -0.557 -2.008 1.00 0.00 C ATOM 0 H PHE A 82 14.752 3.918 0.492 1.00 0.00 H new ATOM 0 HA PHE A 82 15.430 3.933 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.519 4.183 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.118 4.073 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.795 1.917 -4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.269 2.193 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.437 -0.556 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.908 -0.280 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.497 -1.626 -1.993 1.00 0.00 H new ATOM 1197 N ASP A 83 14.961 6.400 -2.375 1.00 0.00 N ATOM 1198 CA ASP A 83 14.990 7.849 -2.273 1.00 0.00 C ATOM 1199 C ASP A 83 13.617 8.410 -2.647 1.00 0.00 C ATOM 1200 O ASP A 83 13.163 9.392 -2.060 1.00 0.00 O ATOM 1201 CB ASP A 83 16.022 8.448 -3.231 1.00 0.00 C ATOM 1202 CG ASP A 83 17.402 7.788 -3.191 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.763 7.295 -2.101 1.00 0.00 O ATOM 1204 OD2 ASP A 83 18.063 7.791 -4.251 1.00 0.00 O ATOM 0 H ASP A 83 15.195 6.032 -3.297 1.00 0.00 H new ATOM 0 HA ASP A 83 15.255 8.109 -1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.634 8.382 -4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.136 9.508 -3.002 1.00 0.00 H new ATOM 1209 N SER A 84 12.993 7.763 -3.621 1.00 0.00 N ATOM 1210 CA SER A 84 11.681 8.185 -4.079 1.00 0.00 C ATOM 1211 C SER A 84 10.679 7.040 -3.922 1.00 0.00 C ATOM 1212 O SER A 84 11.034 5.873 -4.078 1.00 0.00 O ATOM 1213 CB SER A 84 11.730 8.652 -5.536 1.00 0.00 C ATOM 1214 OG SER A 84 12.804 9.559 -5.770 1.00 0.00 O ATOM 0 H SER A 84 13.372 6.949 -4.105 1.00 0.00 H new ATOM 0 HA SER A 84 11.359 9.027 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.837 7.787 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.787 9.133 -5.795 1.00 0.00 H new ATOM 0 HG SER A 84 12.802 9.832 -6.711 1.00 0.00 H new ATOM 1220 N LEU A 85 9.445 7.414 -3.615 1.00 0.00 N ATOM 1221 CA LEU A 85 8.389 6.433 -3.435 1.00 0.00 C ATOM 1222 C LEU A 85 8.247 5.602 -4.712 1.00 0.00 C ATOM 1223 O LEU A 85 7.902 4.423 -4.655 1.00 0.00 O ATOM 1224 CB LEU A 85 7.091 7.116 -2.999 1.00 0.00 C ATOM 1225 CG LEU A 85 6.750 7.022 -1.510 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.112 5.671 -1.179 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.983 7.300 -0.647 1.00 0.00 C ATOM 0 H LEU A 85 9.153 8.383 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 85 8.644 5.742 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.149 8.170 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.268 6.684 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 85 6.014 7.792 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.879 5.630 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.195 5.550 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.807 4.869 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.714 7.227 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.759 6.569 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.356 8.302 -0.857 1.00 0.00 H new ATOM 1239 N THR A 86 8.521 6.250 -5.835 1.00 0.00 N ATOM 1240 CA THR A 86 8.428 5.586 -7.124 1.00 0.00 C ATOM 1241 C THR A 86 9.456 4.457 -7.217 1.00 0.00 C ATOM 1242 O THR A 86 9.132 3.352 -7.649 1.00 0.00 O ATOM 1243 CB THR A 86 8.590 6.647 -8.215 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.372 7.385 -8.164 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.602 6.044 -9.621 1.00 0.00 C ATOM 0 H THR A 86 8.807 7.228 -5.879 1.00 0.00 H new ATOM 0 HA THR A 86 7.456 5.110 -7.255 1.00 0.00 H new ATOM 0 HB THR A 86 9.515 7.200 -8.050 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.711 6.890 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.719 6.839 -10.357 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.432 5.343 -9.709 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.663 5.520 -9.800 1.00 0.00 H new ATOM 1253 N ASP A 87 10.675 4.774 -6.805 1.00 0.00 N ATOM 1254 CA ASP A 87 11.753 3.800 -6.836 1.00 0.00 C ATOM 1255 C ASP A 87 11.467 2.696 -5.816 1.00 0.00 C ATOM 1256 O ASP A 87 12.111 1.649 -5.832 1.00 0.00 O ATOM 1257 CB ASP A 87 13.090 4.446 -6.471 1.00 0.00 C ATOM 1258 CG ASP A 87 14.076 4.593 -7.632 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.257 3.588 -8.353 1.00 0.00 O ATOM 1260 OD2 ASP A 87 14.626 5.707 -7.772 1.00 0.00 O ATOM 0 H ASP A 87 10.940 5.692 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 87 11.812 3.395 -7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.897 5.433 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.561 3.853 -5.687 1.00 0.00 H new ATOM 1265 N LEU A 88 10.499 2.969 -4.952 1.00 0.00 N ATOM 1266 CA LEU A 88 10.120 2.012 -3.927 1.00 0.00 C ATOM 1267 C LEU A 88 8.973 1.143 -4.445 1.00 0.00 C ATOM 1268 O LEU A 88 9.033 -0.083 -4.366 1.00 0.00 O ATOM 1269 CB LEU A 88 9.803 2.732 -2.614 1.00 0.00 C ATOM 1270 CG LEU A 88 9.471 1.834 -1.420 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.852 2.511 -0.102 1.00 0.00 C ATOM 1272 CD2 LEU A 88 8.001 1.411 -1.444 1.00 0.00 C ATOM 0 H LEU A 88 9.967 3.839 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 88 10.951 1.342 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.657 3.355 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.961 3.402 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 88 10.068 0.926 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.606 1.852 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.922 2.719 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.300 3.445 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.792 0.774 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.367 2.297 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.796 0.861 -2.362 1.00 0.00 H new ATOM 1284 N VAL A 89 7.954 1.812 -4.963 1.00 0.00 N ATOM 1285 CA VAL A 89 6.794 1.116 -5.494 1.00 0.00 C ATOM 1286 C VAL A 89 7.203 0.331 -6.742 1.00 0.00 C ATOM 1287 O VAL A 89 6.726 -0.781 -6.964 1.00 0.00 O ATOM 1288 CB VAL A 89 5.662 2.112 -5.759 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.706 1.582 -6.830 1.00 0.00 C ATOM 1290 CG2 VAL A 89 4.911 2.443 -4.469 1.00 0.00 C ATOM 0 H VAL A 89 7.907 2.829 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 89 6.414 0.398 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 89 6.107 3.034 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.911 2.308 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.254 1.420 -7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.272 0.640 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.112 3.152 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.484 1.531 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.601 2.882 -3.749 1.00 0.00 H new ATOM 1300 N GLU A 90 8.083 0.939 -7.524 1.00 0.00 N ATOM 1301 CA GLU A 90 8.562 0.311 -8.743 1.00 0.00 C ATOM 1302 C GLU A 90 9.517 -0.837 -8.408 1.00 0.00 C ATOM 1303 O GLU A 90 9.931 -1.583 -9.295 1.00 0.00 O ATOM 1304 CB GLU A 90 9.234 1.334 -9.660 1.00 0.00 C ATOM 1305 CG GLU A 90 8.201 2.280 -10.276 1.00 0.00 C ATOM 1306 CD GLU A 90 8.561 2.617 -11.725 1.00 0.00 C ATOM 1307 OE1 GLU A 90 8.534 1.678 -12.549 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.855 3.806 -11.974 1.00 0.00 O ATOM 0 H GLU A 90 8.477 1.861 -7.337 1.00 0.00 H new ATOM 0 HA GLU A 90 7.706 -0.099 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.967 1.909 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.777 0.817 -10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.214 1.819 -10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.146 3.197 -9.689 1.00 0.00 H new ATOM 1315 N HIS A 91 9.840 -0.942 -7.128 1.00 0.00 N ATOM 1316 CA HIS A 91 10.738 -1.986 -6.665 1.00 0.00 C ATOM 1317 C HIS A 91 9.930 -3.227 -6.283 1.00 0.00 C ATOM 1318 O HIS A 91 10.220 -4.328 -6.747 1.00 0.00 O ATOM 1319 CB HIS A 91 11.620 -1.477 -5.523 1.00 0.00 C ATOM 1320 CG HIS A 91 12.263 -2.574 -4.708 1.00 0.00 C ATOM 1321 ND1 HIS A 91 13.499 -3.112 -5.019 1.00 0.00 N ATOM 1322 CD2 HIS A 91 11.829 -3.225 -3.591 1.00 0.00 C ATOM 1323 CE1 HIS A 91 13.786 -4.046 -4.124 1.00 0.00 C ATOM 1324 NE2 HIS A 91 12.749 -4.115 -3.240 1.00 0.00 N ATOM 0 H HIS A 91 9.496 -0.321 -6.396 1.00 0.00 H new ATOM 0 HA HIS A 91 11.415 -2.271 -7.470 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.402 -0.840 -5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.018 -0.853 -4.863 1.00 0.00 H new ATOM 0 HD2 HIS A 91 10.895 -3.047 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.683 -4.647 -4.099 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.690 -4.746 -2.441 1.00 0.00 H new ATOM 1332 N PHE A 92 8.932 -3.007 -5.440 1.00 0.00 N ATOM 1333 CA PHE A 92 8.079 -4.094 -4.989 1.00 0.00 C ATOM 1334 C PHE A 92 7.005 -4.416 -6.030 1.00 0.00 C ATOM 1335 O PHE A 92 6.274 -5.395 -5.890 1.00 0.00 O ATOM 1336 CB PHE A 92 7.400 -3.625 -3.701 1.00 0.00 C ATOM 1337 CG PHE A 92 8.353 -3.474 -2.514 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.773 -4.574 -1.834 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.781 -2.239 -2.139 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.658 -4.434 -0.733 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.666 -2.098 -1.037 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.086 -3.199 -0.357 1.00 0.00 C ATOM 0 H PHE A 92 8.695 -2.092 -5.057 1.00 0.00 H new ATOM 0 HA PHE A 92 8.674 -4.993 -4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.913 -2.668 -3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.616 -4.335 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.433 -5.555 -2.132 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.448 -1.365 -2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.992 -5.308 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.005 -1.117 -0.739 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.759 -3.092 0.481 1.00 0.00 H new ATOM 1352 N LYS A 93 6.944 -3.573 -7.051 1.00 0.00 N ATOM 1353 CA LYS A 93 5.972 -3.755 -8.115 1.00 0.00 C ATOM 1354 C LYS A 93 6.321 -5.016 -8.909 1.00 0.00 C ATOM 1355 O LYS A 93 5.485 -5.546 -9.639 1.00 0.00 O ATOM 1356 CB LYS A 93 5.876 -2.494 -8.975 1.00 0.00 C ATOM 1357 CG LYS A 93 4.652 -1.659 -8.590 1.00 0.00 C ATOM 1358 CD LYS A 93 4.586 -0.371 -9.412 1.00 0.00 C ATOM 1359 CE LYS A 93 4.070 -0.649 -10.825 1.00 0.00 C ATOM 1360 NZ LYS A 93 2.679 -0.164 -10.973 1.00 0.00 N ATOM 0 H LYS A 93 7.552 -2.762 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 93 4.976 -3.905 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.780 -1.897 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.815 -2.771 -10.027 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.745 -2.242 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.693 -1.415 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.933 0.348 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.576 0.082 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.712 -0.158 -11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.112 -1.719 -11.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.344 -0.360 -11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.067 -0.651 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.648 0.861 -10.798 1.00 0.00 H new ATOM 1374 N LYS A 94 7.558 -5.459 -8.739 1.00 0.00 N ATOM 1375 CA LYS A 94 8.029 -6.647 -9.431 1.00 0.00 C ATOM 1376 C LYS A 94 8.235 -7.774 -8.417 1.00 0.00 C ATOM 1377 O LYS A 94 7.577 -8.811 -8.494 1.00 0.00 O ATOM 1378 CB LYS A 94 9.277 -6.327 -10.257 1.00 0.00 C ATOM 1379 CG LYS A 94 9.987 -5.084 -9.718 1.00 0.00 C ATOM 1380 CD LYS A 94 11.169 -4.699 -10.609 1.00 0.00 C ATOM 1381 CE LYS A 94 12.203 -3.886 -9.828 1.00 0.00 C ATOM 1382 NZ LYS A 94 13.535 -3.993 -10.463 1.00 0.00 N ATOM 0 H LYS A 94 8.248 -5.017 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 94 7.282 -6.993 -10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.959 -7.177 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.997 -6.168 -11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.283 -4.254 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.338 -5.272 -8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.636 -5.599 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.813 -4.119 -11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.896 -2.841 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.254 -4.244 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.224 -3.435 -9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.832 -4.989 -10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.486 -3.630 -11.436 1.00 0.00 H new ATOM 1396 N THR A 95 9.151 -7.534 -7.490 1.00 0.00 N ATOM 1397 CA THR A 95 9.451 -8.516 -6.462 1.00 0.00 C ATOM 1398 C THR A 95 8.177 -8.913 -5.715 1.00 0.00 C ATOM 1399 O THR A 95 7.807 -10.086 -5.691 1.00 0.00 O ATOM 1400 CB THR A 95 10.532 -7.930 -5.551 1.00 0.00 C ATOM 1401 OG1 THR A 95 9.952 -6.729 -5.052 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.761 -7.456 -6.330 1.00 0.00 C ATOM 0 H THR A 95 9.695 -6.673 -7.430 1.00 0.00 H new ATOM 0 HA THR A 95 9.836 -9.439 -6.896 1.00 0.00 H new ATOM 0 HB THR A 95 10.834 -8.678 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.223 -5.975 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.497 -7.049 -5.636 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.197 -8.297 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.466 -6.683 -7.040 1.00 0.00 H new ATOM 1410 N GLY A 96 7.540 -7.913 -5.124 1.00 0.00 N ATOM 1411 CA GLY A 96 6.314 -8.143 -4.378 1.00 0.00 C ATOM 1412 C GLY A 96 6.550 -7.985 -2.874 1.00 0.00 C ATOM 1413 O GLY A 96 7.663 -7.686 -2.445 1.00 0.00 O ATOM 0 H GLY A 96 7.850 -6.941 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.548 -7.440 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.939 -9.145 -4.588 1.00 0.00 H new ATOM 1417 N ILE A 97 5.483 -8.193 -2.116 1.00 0.00 N ATOM 1418 CA ILE A 97 5.560 -8.077 -0.669 1.00 0.00 C ATOM 1419 C ILE A 97 5.081 -9.382 -0.031 1.00 0.00 C ATOM 1420 O ILE A 97 4.285 -10.111 -0.622 1.00 0.00 O ATOM 1421 CB ILE A 97 4.795 -6.842 -0.190 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.467 -5.556 -0.677 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.624 -6.858 1.331 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.425 -4.522 -1.108 1.00 0.00 C ATOM 0 H ILE A 97 4.561 -8.441 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 97 6.592 -7.927 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 97 3.797 -6.869 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.088 -5.142 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.128 -5.781 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.077 -5.969 1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.069 -7.749 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.604 -6.868 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.929 -3.618 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.822 -4.930 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.781 -4.281 -0.263 1.00 0.00 H new ATOM 1436 N GLU A 98 5.587 -9.639 1.166 1.00 0.00 N ATOM 1437 CA GLU A 98 5.222 -10.844 1.891 1.00 0.00 C ATOM 1438 C GLU A 98 4.316 -10.498 3.075 1.00 0.00 C ATOM 1439 O GLU A 98 4.593 -9.557 3.817 1.00 0.00 O ATOM 1440 CB GLU A 98 6.466 -11.603 2.355 1.00 0.00 C ATOM 1441 CG GLU A 98 6.081 -12.839 3.172 1.00 0.00 C ATOM 1442 CD GLU A 98 7.202 -13.227 4.138 1.00 0.00 C ATOM 1443 OE1 GLU A 98 7.391 -12.477 5.120 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.844 -14.267 3.874 1.00 0.00 O ATOM 0 H GLU A 98 6.247 -9.033 1.652 1.00 0.00 H new ATOM 0 HA GLU A 98 4.670 -11.497 1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.057 -11.904 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.094 -10.946 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.167 -12.640 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.869 -13.672 2.501 1.00 0.00 H new ATOM 1451 N GLU A 99 3.254 -11.277 3.214 1.00 0.00 N ATOM 1452 CA GLU A 99 2.306 -11.064 4.295 1.00 0.00 C ATOM 1453 C GLU A 99 2.712 -11.880 5.524 1.00 0.00 C ATOM 1454 O GLU A 99 3.688 -12.628 5.483 1.00 0.00 O ATOM 1455 CB GLU A 99 0.883 -11.409 3.852 1.00 0.00 C ATOM 1456 CG GLU A 99 0.227 -10.223 3.143 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.299 -10.328 3.197 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.849 -10.036 4.281 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.880 -10.697 2.154 1.00 0.00 O ATOM 0 H GLU A 99 3.029 -12.057 2.596 1.00 0.00 H new ATOM 0 HA GLU A 99 2.321 -10.008 4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.905 -12.270 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.287 -11.694 4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.548 -9.292 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.556 -10.188 2.105 1.00 0.00 H new ATOM 1466 N ALA A 100 1.942 -11.709 6.588 1.00 0.00 N ATOM 1467 CA ALA A 100 2.209 -12.420 7.827 1.00 0.00 C ATOM 1468 C ALA A 100 1.509 -13.780 7.790 1.00 0.00 C ATOM 1469 O ALA A 100 1.775 -14.643 8.626 1.00 0.00 O ATOM 1470 CB ALA A 100 1.759 -11.566 9.014 1.00 0.00 C ATOM 0 H ALA A 100 1.133 -11.088 6.618 1.00 0.00 H new ATOM 0 HA ALA A 100 3.278 -12.601 7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.959 -12.100 9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.306 -10.623 9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.691 -11.366 8.934 1.00 0.00 H new ATOM 1476 N SER A 101 0.628 -13.930 6.811 1.00 0.00 N ATOM 1477 CA SER A 101 -0.111 -15.171 6.654 1.00 0.00 C ATOM 1478 C SER A 101 0.668 -16.134 5.756 1.00 0.00 C ATOM 1479 O SER A 101 0.108 -17.104 5.247 1.00 0.00 O ATOM 1480 CB SER A 101 -1.503 -14.913 6.074 1.00 0.00 C ATOM 1481 OG SER A 101 -2.479 -14.718 7.094 1.00 0.00 O ATOM 0 H SER A 101 0.410 -13.213 6.119 1.00 0.00 H new ATOM 0 HA SER A 101 -0.235 -15.622 7.638 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.470 -14.034 5.431 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.797 -15.755 5.448 1.00 0.00 H new ATOM 0 HG SER A 101 -3.354 -14.555 6.683 1.00 0.00 H new ATOM 1487 N GLY A 102 1.947 -15.833 5.589 1.00 0.00 N ATOM 1488 CA GLY A 102 2.808 -16.660 4.761 1.00 0.00 C ATOM 1489 C GLY A 102 2.430 -16.539 3.283 1.00 0.00 C ATOM 1490 O GLY A 102 2.816 -17.376 2.469 1.00 0.00 O ATOM 0 H GLY A 102 2.408 -15.028 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.847 -16.362 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.730 -17.701 5.076 1.00 0.00 H new ATOM 1494 N ALA A 103 1.679 -15.489 2.982 1.00 0.00 N ATOM 1495 CA ALA A 103 1.244 -15.247 1.617 1.00 0.00 C ATOM 1496 C ALA A 103 1.993 -14.037 1.055 1.00 0.00 C ATOM 1497 O ALA A 103 2.431 -13.169 1.808 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.274 -15.058 1.591 1.00 0.00 C ATOM 0 H ALA A 103 1.361 -14.797 3.660 1.00 0.00 H new ATOM 0 HA ALA A 103 1.476 -16.102 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.601 -14.876 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.759 -15.956 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.545 -14.206 2.215 1.00 0.00 H new ATOM 1504 N PHE A 104 2.117 -14.019 -0.264 1.00 0.00 N ATOM 1505 CA PHE A 104 2.805 -12.930 -0.936 1.00 0.00 C ATOM 1506 C PHE A 104 1.816 -12.039 -1.691 1.00 0.00 C ATOM 1507 O PHE A 104 0.744 -12.493 -2.088 1.00 0.00 O ATOM 1508 CB PHE A 104 3.772 -13.562 -1.939 1.00 0.00 C ATOM 1509 CG PHE A 104 5.204 -13.701 -1.420 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.489 -14.602 -0.441 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.193 -12.924 -1.937 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.818 -14.731 0.040 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.523 -13.053 -1.455 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.807 -13.954 -0.477 1.00 0.00 C ATOM 0 H PHE A 104 1.753 -14.741 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 104 3.325 -12.311 -0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.399 -14.548 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.783 -12.959 -2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.704 -15.219 -0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.967 -12.209 -2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.044 -15.446 0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.308 -12.436 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.818 -14.053 -0.111 1.00 0.00 H new ATOM 1524 N VAL A 105 2.212 -10.787 -1.867 1.00 0.00 N ATOM 1525 CA VAL A 105 1.374 -9.829 -2.568 1.00 0.00 C ATOM 1526 C VAL A 105 2.202 -9.125 -3.645 1.00 0.00 C ATOM 1527 O VAL A 105 3.410 -8.953 -3.490 1.00 0.00 O ATOM 1528 CB VAL A 105 0.743 -8.857 -1.569 1.00 0.00 C ATOM 1529 CG1 VAL A 105 -0.058 -7.771 -2.291 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.130 -9.601 -0.557 1.00 0.00 C ATOM 0 H VAL A 105 3.102 -10.414 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 105 0.552 -10.337 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 105 1.549 -8.370 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.496 -7.094 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.603 -7.211 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.852 -8.234 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.566 -8.887 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.927 -10.128 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.480 -10.319 -0.008 1.00 0.00 H new ATOM 1540 N TYR A 106 1.519 -8.738 -4.712 1.00 0.00 N ATOM 1541 CA TYR A 106 2.177 -8.057 -5.815 1.00 0.00 C ATOM 1542 C TYR A 106 1.362 -6.846 -6.275 1.00 0.00 C ATOM 1543 O TYR A 106 0.135 -6.850 -6.191 1.00 0.00 O ATOM 1544 CB TYR A 106 2.246 -9.073 -6.956 1.00 0.00 C ATOM 1545 CG TYR A 106 2.781 -10.444 -6.537 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.138 -10.696 -6.574 1.00 0.00 C ATOM 1547 CD2 TYR A 106 1.907 -11.429 -6.123 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.641 -11.986 -6.179 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.411 -12.719 -5.729 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.753 -12.934 -5.777 1.00 0.00 C ATOM 1551 OH TYR A 106 4.228 -14.153 -5.404 1.00 0.00 O ATOM 0 H TYR A 106 0.517 -8.883 -4.837 1.00 0.00 H new ATOM 0 HA TYR A 106 3.162 -7.699 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.249 -9.197 -7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.880 -8.673 -7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.822 -9.926 -6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.845 -11.232 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.700 -12.196 -6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.738 -13.498 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 106 3.480 -14.729 -5.140 1.00 0.00 H new ATOM 1561 N LEU A 107 2.079 -5.838 -6.751 1.00 0.00 N ATOM 1562 CA LEU A 107 1.438 -4.623 -7.225 1.00 0.00 C ATOM 1563 C LEU A 107 1.349 -4.661 -8.752 1.00 0.00 C ATOM 1564 O LEU A 107 2.196 -4.094 -9.441 1.00 0.00 O ATOM 1565 CB LEU A 107 2.161 -3.389 -6.681 1.00 0.00 C ATOM 1566 CG LEU A 107 2.370 -3.347 -5.166 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.369 -4.417 -4.720 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.787 -1.948 -4.709 1.00 0.00 C ATOM 0 H LEU A 107 3.097 -5.838 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 107 0.417 -4.558 -6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.136 -3.321 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.597 -2.503 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 107 1.419 -3.574 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.499 -4.365 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.993 -5.403 -4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.328 -4.246 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.929 -1.946 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.720 -1.668 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.009 -1.232 -4.974 1.00 0.00 H new ATOM 1580 N ARG A 108 0.315 -5.333 -9.236 1.00 0.00 N ATOM 1581 CA ARG A 108 0.104 -5.452 -10.668 1.00 0.00 C ATOM 1582 C ARG A 108 -0.239 -4.087 -11.269 1.00 0.00 C ATOM 1583 O ARG A 108 0.253 -3.736 -12.341 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.026 -6.436 -10.979 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.635 -7.862 -10.585 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.545 -8.887 -11.264 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.294 -8.898 -12.723 1.00 0.00 N ATOM 1588 CZ ARG A 108 -2.143 -9.405 -13.627 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -3.302 -9.946 -13.228 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -1.833 -9.371 -14.930 1.00 0.00 N ATOM 0 H ARG A 108 -0.386 -5.801 -8.661 1.00 0.00 H new ATOM 0 HA ARG A 108 1.028 -5.826 -11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.928 -6.141 -10.443 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.262 -6.400 -12.043 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.402 -8.049 -10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.698 -7.974 -9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.364 -9.878 -10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.589 -8.645 -11.068 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.420 -8.494 -13.061 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.538 -9.972 -12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.948 -10.332 -13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.951 -8.959 -15.234 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.479 -9.757 -15.618 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.078 -3.354 -10.553 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.492 -2.036 -11.002 1.00 0.00 C ATOM 1606 C GLN A 109 -1.930 -1.182 -9.811 1.00 0.00 C ATOM 1607 O GLN A 109 -2.409 -1.709 -8.808 1.00 0.00 O ATOM 1608 CB GLN A 109 -2.607 -2.137 -12.044 1.00 0.00 C ATOM 1609 CG GLN A 109 -3.976 -2.268 -11.372 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.804 -3.376 -12.025 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.242 -3.274 -13.159 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.992 -4.439 -11.249 1.00 0.00 N ATOM 0 H GLN A 109 -1.483 -3.648 -9.664 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.639 -1.551 -11.477 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.594 -1.253 -12.682 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.430 -2.998 -12.688 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.845 -2.484 -10.312 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.511 -1.321 -11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.598 -4.460 -10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.531 -5.233 -11.594 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.746 0.156 -9.964 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.117 1.088 -8.912 1.00 0.00 C ATOM 1623 C PRO A 110 -3.636 1.269 -8.851 1.00 0.00 C ATOM 1624 O PRO A 110 -4.378 0.539 -9.505 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.380 2.374 -9.248 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.996 2.264 -10.714 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.182 0.816 -11.138 1.00 0.00 C ATOM 0 HA PRO A 110 -1.840 0.733 -7.919 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -2.014 3.244 -9.075 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.497 2.493 -8.621 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.617 2.922 -11.322 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.038 2.575 -10.862 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.850 0.737 -11.996 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.234 0.364 -11.429 1.00 0.00 H new ATOM 1635 N TYR A 111 -4.051 2.246 -8.058 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.467 2.532 -7.902 1.00 0.00 C ATOM 1637 C TYR A 111 -5.770 3.996 -8.227 1.00 0.00 C ATOM 1638 O TYR A 111 -4.938 4.872 -7.994 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.791 2.270 -6.430 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.227 2.622 -6.036 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.284 1.937 -6.601 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.465 3.623 -5.117 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.636 2.268 -6.230 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.817 3.954 -4.747 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.835 3.260 -5.322 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.112 3.572 -4.972 1.00 0.00 O ATOM 0 H TYR A 111 -3.432 2.849 -7.517 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.060 1.914 -8.576 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.613 1.217 -6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.104 2.845 -5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -8.097 1.154 -7.321 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.638 4.158 -4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.473 1.740 -6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.018 4.736 -4.029 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.638 2.750 -4.888 1.00 0.00 H new