USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 465 hydrogens (19 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 NoAdj-H: A1129 2MR HXT : A1129 2MR OXT : A1129 2MR C :(short bond) USER MOD Set 1.1: A 117 THR OG1 : rot 180:sc= -0.365 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.79 X(o=-2.2,f=-2.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.487 K(o=0.49,f=-3.5!) USER MOD Single : A 70 THR OG1 : rot -30:sc= 0.0745 USER MOD Single : A 71 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.15) USER MOD Single : A 79 CYS SG : rot -17:sc= -1.59! USER MOD Single : A 80 MET CE :methyl 154:sc= -0.182 (180deg=-0.818) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0284 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.18 K(o=1.2,f=-0.24) USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.392 USER MOD Single : A 111 TYR OH : rot -129:sc= 0.457 USER MOD Single : A 113 ASN : amide:sc= -2.21! X(o=-2.2!,f=-2.4) USER MOD Single : A 123 LYS NZ :NH3+ 173:sc=-0.00491 (180deg=-0.0924) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 13.158 -7.763 -0.705 1.00 0.00 N ATOM 2 CA ALA A 65 13.652 -8.429 -1.908 1.00 0.00 C ATOM 3 C ALA A 65 15.061 -7.969 -2.180 1.00 0.00 C ATOM 4 O ALA A 65 15.603 -7.158 -1.425 1.00 0.00 O ATOM 5 CB ALA A 65 12.768 -8.087 -3.087 1.00 0.00 C ATOM 0 HA ALA A 65 13.638 -9.509 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.143 -8.587 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.749 -8.418 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.774 -7.009 -3.246 1.00 0.00 H new ATOM 13 N SER A 66 15.659 -8.490 -3.228 1.00 0.00 N ATOM 14 CA SER A 66 16.968 -8.064 -3.647 1.00 0.00 C ATOM 15 C SER A 66 16.789 -6.749 -4.390 1.00 0.00 C ATOM 16 O SER A 66 17.424 -5.735 -4.096 1.00 0.00 O ATOM 17 CB SER A 66 17.535 -9.115 -4.591 1.00 0.00 C ATOM 18 OG SER A 66 17.349 -10.422 -4.050 1.00 0.00 O ATOM 0 H SER A 66 15.249 -9.220 -3.811 1.00 0.00 H new ATOM 0 HA SER A 66 17.645 -7.938 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 66 17.045 -9.043 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 66 18.597 -8.930 -4.756 1.00 0.00 H new ATOM 0 HG SER A 66 17.717 -11.087 -4.668 1.00 0.00 H new ATOM 24 N THR A 67 15.884 -6.784 -5.328 1.00 0.00 N ATOM 25 CA THR A 67 15.530 -5.654 -6.096 1.00 0.00 C ATOM 26 C THR A 67 14.357 -4.970 -5.400 1.00 0.00 C ATOM 27 O THR A 67 13.241 -5.512 -5.358 1.00 0.00 O ATOM 28 CB THR A 67 15.119 -6.114 -7.506 1.00 0.00 C ATOM 29 OG1 THR A 67 16.119 -7.035 -8.000 1.00 0.00 O ATOM 30 CG2 THR A 67 15.027 -4.931 -8.453 1.00 0.00 C ATOM 0 H THR A 67 15.367 -7.628 -5.575 1.00 0.00 H new ATOM 0 HA THR A 67 16.366 -4.960 -6.186 1.00 0.00 H new ATOM 0 HB THR A 67 14.142 -6.594 -7.453 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.869 -7.338 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.735 -5.280 -9.444 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.283 -4.226 -8.083 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.997 -4.437 -8.513 1.00 0.00 H new ATOM 38 N GLN A 68 14.628 -3.853 -4.789 1.00 0.00 N ATOM 39 CA GLN A 68 13.610 -3.110 -4.102 1.00 0.00 C ATOM 40 C GLN A 68 12.966 -2.151 -5.109 1.00 0.00 C ATOM 41 O GLN A 68 13.653 -1.677 -6.034 1.00 0.00 O ATOM 42 CB GLN A 68 14.215 -2.318 -2.937 1.00 0.00 C ATOM 43 CG GLN A 68 15.059 -3.135 -1.947 1.00 0.00 C ATOM 44 CD GLN A 68 14.306 -4.185 -1.120 1.00 0.00 C ATOM 45 OE1 GLN A 68 13.310 -4.787 -1.542 1.00 0.00 O ATOM 46 NE2 GLN A 68 14.797 -4.408 0.072 1.00 0.00 N ATOM 0 H GLN A 68 15.557 -3.432 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 68 12.864 -3.791 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.837 -1.522 -3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.405 -1.839 -2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.848 -3.640 -2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.546 -2.443 -1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.619 -3.894 0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.358 -5.095 0.684 1.00 0.00 H new ATOM 55 N PRO A 69 11.661 -1.884 -4.980 1.00 0.00 N ATOM 56 CA PRO A 69 10.938 -0.982 -5.891 1.00 0.00 C ATOM 57 C PRO A 69 11.507 0.444 -5.866 1.00 0.00 C ATOM 58 O PRO A 69 11.955 0.927 -4.816 1.00 0.00 O ATOM 59 CB PRO A 69 9.510 -0.988 -5.326 1.00 0.00 C ATOM 60 CG PRO A 69 9.424 -2.247 -4.548 1.00 0.00 C ATOM 61 CD PRO A 69 10.773 -2.438 -3.948 1.00 0.00 C ATOM 0 HA PRO A 69 11.008 -1.305 -6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.329 -0.118 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.767 -0.963 -6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.657 -2.179 -3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.157 -3.087 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 69 10.874 -1.910 -3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.985 -3.489 -3.752 1.00 0.00 H new ATOM 69 N THR A 70 11.464 1.120 -7.007 1.00 0.00 N ATOM 70 CA THR A 70 11.976 2.470 -7.107 1.00 0.00 C ATOM 71 C THR A 70 10.981 3.452 -6.472 1.00 0.00 C ATOM 72 O THR A 70 11.311 4.622 -6.227 1.00 0.00 O ATOM 73 CB THR A 70 12.325 2.869 -8.594 1.00 0.00 C ATOM 74 OG1 THR A 70 13.001 4.149 -8.658 1.00 0.00 O ATOM 75 CG2 THR A 70 11.081 2.919 -9.473 1.00 0.00 C ATOM 0 H THR A 70 11.078 0.749 -7.875 1.00 0.00 H new ATOM 0 HA THR A 70 12.915 2.519 -6.555 1.00 0.00 H new ATOM 0 HB THR A 70 12.992 2.093 -8.969 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.707 4.712 -7.912 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.364 3.197 -10.488 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.604 1.939 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.384 3.657 -9.076 1.00 0.00 H new ATOM 83 N HIS A 71 9.758 2.973 -6.210 1.00 0.00 N ATOM 84 CA HIS A 71 8.767 3.769 -5.510 1.00 0.00 C ATOM 85 C HIS A 71 9.306 4.173 -4.149 1.00 0.00 C ATOM 86 O HIS A 71 9.634 3.321 -3.315 1.00 0.00 O ATOM 87 CB HIS A 71 7.461 2.991 -5.292 1.00 0.00 C ATOM 88 CG HIS A 71 6.641 2.708 -6.511 1.00 0.00 C ATOM 89 ND1 HIS A 71 5.734 1.676 -6.598 1.00 0.00 N ATOM 90 CD2 HIS A 71 6.563 3.369 -7.682 1.00 0.00 C ATOM 91 CE1 HIS A 71 5.150 1.735 -7.793 1.00 0.00 C ATOM 92 NE2 HIS A 71 5.617 2.750 -8.497 1.00 0.00 N ATOM 0 H HIS A 71 9.441 2.040 -6.475 1.00 0.00 H new ATOM 0 HA HIS A 71 8.559 4.644 -6.126 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.705 2.041 -4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.844 3.550 -4.588 1.00 0.00 H new ATOM 0 HD1 HIS A 71 5.542 0.985 -5.872 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.142 4.241 -7.947 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.395 1.045 -8.140 1.00 0.00 H new ATOM 100 N SER A 72 9.399 5.449 -3.928 1.00 0.00 N ATOM 101 CA SER A 72 9.886 5.965 -2.688 1.00 0.00 C ATOM 102 C SER A 72 8.706 6.492 -1.882 1.00 0.00 C ATOM 103 O SER A 72 7.993 7.403 -2.322 1.00 0.00 O ATOM 104 CB SER A 72 10.910 7.048 -2.975 1.00 0.00 C ATOM 105 OG SER A 72 11.915 6.538 -3.865 1.00 0.00 O ATOM 0 H SER A 72 9.138 6.164 -4.607 1.00 0.00 H new ATOM 0 HA SER A 72 10.376 5.188 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.422 7.915 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.370 7.383 -2.045 1.00 0.00 H new ATOM 0 HG SER A 72 12.574 7.239 -4.050 1.00 0.00 H new ATOM 111 N TRP A 73 8.465 5.883 -0.756 1.00 0.00 N ATOM 112 CA TRP A 73 7.339 6.214 0.068 1.00 0.00 C ATOM 113 C TRP A 73 7.791 6.572 1.453 1.00 0.00 C ATOM 114 O TRP A 73 8.834 6.078 1.913 1.00 0.00 O ATOM 115 CB TRP A 73 6.393 5.020 0.141 1.00 0.00 C ATOM 116 CG TRP A 73 5.753 4.678 -1.168 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.094 3.669 -2.017 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.663 5.365 -1.782 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.271 3.686 -3.114 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.391 4.716 -2.993 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.888 6.465 -1.419 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.384 5.125 -3.842 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.887 6.870 -2.264 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.645 6.200 -3.462 1.00 0.00 C ATOM 0 H TRP A 73 9.050 5.136 -0.381 1.00 0.00 H new ATOM 0 HA TRP A 73 6.824 7.069 -0.370 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.945 4.152 0.503 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.613 5.230 0.873 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.893 2.961 -1.851 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.312 3.031 -3.895 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.072 6.987 -0.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.191 4.611 -4.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.277 7.721 -1.997 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.849 6.544 -4.105 1.00 0.00 H new ATOM 135 N LYS A 74 7.053 7.436 2.106 1.00 0.00 N ATOM 136 CA LYS A 74 7.322 7.752 3.477 1.00 0.00 C ATOM 137 C LYS A 74 6.050 7.624 4.303 1.00 0.00 C ATOM 138 O LYS A 74 4.941 7.555 3.756 1.00 0.00 O ATOM 139 CB LYS A 74 7.921 9.142 3.657 1.00 0.00 C ATOM 140 CG LYS A 74 7.019 10.274 3.212 1.00 0.00 C ATOM 141 CD LYS A 74 7.505 11.606 3.722 1.00 0.00 C ATOM 142 CE LYS A 74 7.376 11.694 5.236 1.00 0.00 C ATOM 143 NZ LYS A 74 7.853 12.976 5.767 1.00 0.00 N ATOM 0 H LYS A 74 6.258 7.932 1.703 1.00 0.00 H new ATOM 0 HA LYS A 74 8.066 7.036 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.170 9.284 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.855 9.197 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.973 10.296 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.006 10.095 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.546 11.751 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.931 12.408 3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.332 11.554 5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.941 10.882 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.744 12.986 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.856 13.101 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.297 13.752 5.353 1.00 0.00 H new ATOM 157 N VAL A 75 6.218 7.559 5.603 1.00 0.00 N ATOM 158 CA VAL A 75 5.111 7.480 6.526 1.00 0.00 C ATOM 159 C VAL A 75 4.282 8.756 6.417 1.00 0.00 C ATOM 160 O VAL A 75 4.829 9.865 6.476 1.00 0.00 O ATOM 161 CB VAL A 75 5.621 7.302 7.987 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.473 7.309 8.977 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.419 6.012 8.125 1.00 0.00 C ATOM 0 H VAL A 75 7.133 7.559 6.053 1.00 0.00 H new ATOM 0 HA VAL A 75 4.498 6.615 6.273 1.00 0.00 H new ATOM 0 HB VAL A 75 6.272 8.147 8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.863 7.183 9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.940 8.258 8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.789 6.492 8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.766 5.907 9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.786 5.163 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.277 6.041 7.454 1.00 0.00 H new ATOM 173 N GLY A 76 2.998 8.606 6.231 1.00 0.00 N ATOM 174 CA GLY A 76 2.136 9.753 6.106 1.00 0.00 C ATOM 175 C GLY A 76 1.713 9.998 4.680 1.00 0.00 C ATOM 176 O GLY A 76 0.861 10.852 4.413 1.00 0.00 O ATOM 0 H GLY A 76 2.526 7.704 6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.251 9.609 6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.651 10.635 6.487 1.00 0.00 H new ATOM 180 N ASP A 77 2.310 9.272 3.756 1.00 0.00 N ATOM 181 CA ASP A 77 1.943 9.402 2.354 1.00 0.00 C ATOM 182 C ASP A 77 0.669 8.680 2.060 1.00 0.00 C ATOM 183 O ASP A 77 0.378 7.624 2.648 1.00 0.00 O ATOM 184 CB ASP A 77 3.016 8.887 1.383 1.00 0.00 C ATOM 185 CG ASP A 77 4.192 9.815 1.157 1.00 0.00 C ATOM 186 OD1 ASP A 77 4.028 11.066 1.244 1.00 0.00 O ATOM 187 OD2 ASP A 77 5.298 9.319 0.817 1.00 0.00 O ATOM 0 H ASP A 77 3.045 8.591 3.945 1.00 0.00 H new ATOM 0 HA ASP A 77 1.828 10.474 2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.393 7.936 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.544 8.686 0.421 1.00 0.00 H new ATOM 192 N LYS A 78 -0.083 9.238 1.165 1.00 0.00 N ATOM 193 CA LYS A 78 -1.276 8.642 0.677 1.00 0.00 C ATOM 194 C LYS A 78 -0.908 7.843 -0.538 1.00 0.00 C ATOM 195 O LYS A 78 -0.215 8.337 -1.431 1.00 0.00 O ATOM 196 CB LYS A 78 -2.290 9.715 0.290 1.00 0.00 C ATOM 197 CG LYS A 78 -2.956 10.437 1.443 1.00 0.00 C ATOM 198 CD LYS A 78 -4.022 9.574 2.096 1.00 0.00 C ATOM 199 CE LYS A 78 -4.777 10.351 3.161 1.00 0.00 C ATOM 200 NZ LYS A 78 -5.996 9.644 3.596 1.00 0.00 N ATOM 0 H LYS A 78 0.125 10.144 0.746 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.725 8.012 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.789 10.453 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.065 9.253 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.205 10.713 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.405 11.363 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.720 9.217 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.559 8.694 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.127 10.516 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.046 11.333 2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.593 10.291 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.523 9.315 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.733 8.827 4.184 1.00 0.00 H new ATOM 214 N CYS A 79 -1.349 6.654 -0.578 1.00 0.00 N ATOM 215 CA CYS A 79 -1.055 5.783 -1.658 1.00 0.00 C ATOM 216 C CYS A 79 -2.274 4.987 -1.964 1.00 0.00 C ATOM 217 O CYS A 79 -3.295 5.118 -1.285 1.00 0.00 O ATOM 218 CB CYS A 79 0.092 4.855 -1.263 1.00 0.00 C ATOM 219 SG CYS A 79 -0.227 3.875 0.234 1.00 0.00 S ATOM 0 H CYS A 79 -1.936 6.241 0.147 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.757 6.354 -2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.298 4.177 -2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.991 5.452 -1.109 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.213 4.403 0.896 1.00 0.00 H new ATOM 225 N MET A 80 -2.207 4.207 -2.972 1.00 0.00 N ATOM 226 CA MET A 80 -3.268 3.326 -3.267 1.00 0.00 C ATOM 227 C MET A 80 -2.718 1.960 -3.132 1.00 0.00 C ATOM 228 O MET A 80 -1.662 1.655 -3.693 1.00 0.00 O ATOM 229 CB MET A 80 -3.838 3.538 -4.668 1.00 0.00 C ATOM 230 CG MET A 80 -4.149 4.983 -4.995 1.00 0.00 C ATOM 231 SD MET A 80 -5.219 5.172 -6.424 1.00 0.00 S ATOM 232 CE MET A 80 -6.744 4.486 -5.767 1.00 0.00 C ATOM 0 H MET A 80 -1.417 4.160 -3.616 1.00 0.00 H new ATOM 0 HA MET A 80 -4.099 3.503 -2.584 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.127 3.156 -5.400 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.749 2.949 -4.771 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.622 5.450 -4.131 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.216 5.517 -5.175 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.594 4.917 -6.295 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.744 3.404 -5.901 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.820 4.720 -4.705 1.00 0.00 H new ATOM 242 N ALA A 81 -3.389 1.160 -2.396 1.00 0.00 N ATOM 243 CA ALA A 81 -2.941 -0.156 -2.127 1.00 0.00 C ATOM 244 C ALA A 81 -3.940 -1.121 -2.645 1.00 0.00 C ATOM 245 O ALA A 81 -5.123 -0.794 -2.752 1.00 0.00 O ATOM 246 CB ALA A 81 -2.763 -0.342 -0.640 1.00 0.00 C ATOM 0 H ALA A 81 -4.277 1.401 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.982 -0.327 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.418 -1.356 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.027 0.372 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.715 -0.176 -0.136 1.00 0.00 H new ATOM 252 N VAL A 82 -3.483 -2.270 -2.997 1.00 0.00 N ATOM 253 CA VAL A 82 -4.347 -3.307 -3.450 1.00 0.00 C ATOM 254 C VAL A 82 -4.799 -4.075 -2.241 1.00 0.00 C ATOM 255 O VAL A 82 -3.983 -4.678 -1.558 1.00 0.00 O ATOM 256 CB VAL A 82 -3.627 -4.258 -4.440 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.560 -5.357 -4.914 1.00 0.00 C ATOM 258 CG2 VAL A 82 -3.076 -3.482 -5.628 1.00 0.00 C ATOM 0 H VAL A 82 -2.494 -2.521 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.193 -2.872 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.794 -4.722 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.030 -6.010 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.902 -5.938 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.419 -4.913 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.575 -4.169 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.894 -2.985 -6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.364 -2.736 -5.276 1.00 0.00 H new ATOM 268 N TRP A 83 -6.075 -4.004 -1.956 1.00 0.00 N ATOM 269 CA TRP A 83 -6.647 -4.672 -0.828 1.00 0.00 C ATOM 270 C TRP A 83 -6.542 -6.148 -1.050 1.00 0.00 C ATOM 271 O TRP A 83 -7.121 -6.674 -2.007 1.00 0.00 O ATOM 272 CB TRP A 83 -8.111 -4.266 -0.658 1.00 0.00 C ATOM 273 CG TRP A 83 -8.719 -4.679 0.654 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.075 -4.796 1.843 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.093 -4.972 0.921 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.940 -5.159 2.824 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.190 -5.269 2.293 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.247 -5.018 0.144 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.393 -5.605 2.899 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.439 -5.353 0.752 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.497 -5.642 2.117 1.00 0.00 C ATOM 0 H TRP A 83 -6.748 -3.474 -2.510 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.111 -4.393 0.079 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.190 -3.183 -0.757 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.694 -4.703 -1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.019 -4.624 1.989 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.694 -5.323 3.800 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.210 -4.796 -0.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.446 -5.828 3.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.343 -5.392 0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.447 -5.902 2.560 1.00 0.00 H new ATOM 292 N SER A 84 -5.823 -6.801 -0.173 1.00 0.00 N ATOM 293 CA SER A 84 -5.554 -8.229 -0.243 1.00 0.00 C ATOM 294 C SER A 84 -6.858 -9.047 -0.301 1.00 0.00 C ATOM 295 O SER A 84 -6.895 -10.157 -0.848 1.00 0.00 O ATOM 296 CB SER A 84 -4.712 -8.637 0.985 1.00 0.00 C ATOM 297 OG SER A 84 -4.343 -10.006 0.954 1.00 0.00 O ATOM 0 H SER A 84 -5.393 -6.349 0.634 1.00 0.00 H new ATOM 0 HA SER A 84 -5.002 -8.441 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.813 -8.022 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.279 -8.436 1.894 1.00 0.00 H new ATOM 0 HG SER A 84 -3.811 -10.219 1.749 1.00 0.00 H new ATOM 303 N GLU A 85 -7.928 -8.471 0.196 1.00 0.00 N ATOM 304 CA GLU A 85 -9.173 -9.175 0.280 1.00 0.00 C ATOM 305 C GLU A 85 -9.940 -9.153 -1.034 1.00 0.00 C ATOM 306 O GLU A 85 -10.475 -10.178 -1.457 1.00 0.00 O ATOM 307 CB GLU A 85 -10.023 -8.583 1.373 1.00 0.00 C ATOM 308 CG GLU A 85 -9.332 -8.512 2.720 1.00 0.00 C ATOM 309 CD GLU A 85 -8.938 -9.855 3.271 1.00 0.00 C ATOM 310 OE1 GLU A 85 -7.823 -10.323 3.003 1.00 0.00 O ATOM 311 OE2 GLU A 85 -9.732 -10.461 4.007 1.00 0.00 O ATOM 0 H GLU A 85 -7.955 -7.514 0.547 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.942 -10.216 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.328 -7.579 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.932 -9.175 1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.441 -7.891 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.993 -8.017 3.432 1.00 0.00 H new ATOM 318 N ASP A 86 -9.981 -8.012 -1.700 1.00 0.00 N ATOM 319 CA ASP A 86 -10.815 -7.921 -2.902 1.00 0.00 C ATOM 320 C ASP A 86 -9.976 -7.927 -4.170 1.00 0.00 C ATOM 321 O ASP A 86 -10.459 -8.263 -5.252 1.00 0.00 O ATOM 322 CB ASP A 86 -11.670 -6.658 -2.847 1.00 0.00 C ATOM 323 CG ASP A 86 -12.776 -6.640 -3.874 1.00 0.00 C ATOM 324 OD1 ASP A 86 -12.572 -6.160 -4.989 1.00 0.00 O ATOM 325 OD2 ASP A 86 -13.899 -7.088 -3.551 1.00 0.00 O ATOM 0 H ASP A 86 -9.472 -7.164 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.461 -8.799 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.106 -6.566 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.031 -5.788 -2.997 1.00 0.00 H new ATOM 330 N GLY A 87 -8.711 -7.610 -4.023 1.00 0.00 N ATOM 331 CA GLY A 87 -7.812 -7.564 -5.160 1.00 0.00 C ATOM 332 C GLY A 87 -7.910 -6.257 -5.937 1.00 0.00 C ATOM 333 O GLY A 87 -7.466 -6.174 -7.077 1.00 0.00 O ATOM 0 H GLY A 87 -8.278 -7.380 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.788 -7.699 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.035 -8.396 -5.828 1.00 0.00 H new ATOM 337 N GLN A 88 -8.510 -5.247 -5.332 1.00 0.00 N ATOM 338 CA GLN A 88 -8.657 -3.942 -5.977 1.00 0.00 C ATOM 339 C GLN A 88 -7.868 -2.876 -5.254 1.00 0.00 C ATOM 340 O GLN A 88 -7.454 -3.084 -4.116 1.00 0.00 O ATOM 341 CB GLN A 88 -10.119 -3.544 -6.111 1.00 0.00 C ATOM 342 CG GLN A 88 -10.881 -4.349 -7.136 1.00 0.00 C ATOM 343 CD GLN A 88 -10.353 -4.171 -8.542 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.790 -3.281 -9.268 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.432 -4.999 -8.939 1.00 0.00 N ATOM 0 H GLN A 88 -8.906 -5.300 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.248 -4.033 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.606 -3.654 -5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.175 -2.489 -6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.835 -5.404 -6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.931 -4.059 -7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.093 -5.726 -8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.048 -4.922 -9.881 1.00 0.00 H new ATOM 354 N CYS A 89 -7.698 -1.737 -5.877 1.00 0.00 N ATOM 355 CA CYS A 89 -6.901 -0.675 -5.296 1.00 0.00 C ATOM 356 C CYS A 89 -7.764 0.363 -4.603 1.00 0.00 C ATOM 357 O CYS A 89 -8.791 0.785 -5.128 1.00 0.00 O ATOM 358 CB CYS A 89 -5.981 -0.036 -6.335 1.00 0.00 C ATOM 359 SG CYS A 89 -6.813 0.605 -7.804 1.00 0.00 S ATOM 0 H CYS A 89 -8.100 -1.517 -6.788 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.269 -1.127 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.435 0.779 -5.861 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.243 -0.775 -6.648 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.934 1.123 -8.609 1.00 0.00 H new ATOM 365 N TYR A 90 -7.349 0.745 -3.418 1.00 0.00 N ATOM 366 CA TYR A 90 -8.062 1.688 -2.579 1.00 0.00 C ATOM 367 C TYR A 90 -7.070 2.656 -1.960 1.00 0.00 C ATOM 368 O TYR A 90 -5.872 2.344 -1.883 1.00 0.00 O ATOM 369 CB TYR A 90 -8.816 0.943 -1.476 1.00 0.00 C ATOM 370 CG TYR A 90 -9.923 0.027 -1.971 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.642 -1.252 -2.434 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.238 0.441 -1.970 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.635 -2.083 -2.880 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.245 -0.386 -2.414 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.940 -1.644 -2.868 1.00 0.00 C ATOM 376 OH TYR A 90 -12.947 -2.461 -3.314 1.00 0.00 O ATOM 0 H TYR A 90 -6.485 0.402 -2.998 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.781 2.239 -3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.102 0.351 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.247 1.674 -0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.619 -1.598 -2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.482 1.431 -1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.397 -3.074 -3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.270 -0.046 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.805 -1.995 -3.235 1.00 0.00 H new ATOM 386 N GLU A 91 -7.547 3.819 -1.540 1.00 0.00 N ATOM 387 CA GLU A 91 -6.686 4.833 -0.944 1.00 0.00 C ATOM 388 C GLU A 91 -6.288 4.394 0.452 1.00 0.00 C ATOM 389 O GLU A 91 -7.139 4.062 1.287 1.00 0.00 O ATOM 390 CB GLU A 91 -7.392 6.195 -0.842 1.00 0.00 C ATOM 391 CG GLU A 91 -6.482 7.305 -0.303 1.00 0.00 C ATOM 392 CD GLU A 91 -7.225 8.558 0.092 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.741 9.270 -0.797 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.284 8.869 1.306 1.00 0.00 O ATOM 0 H GLU A 91 -8.530 4.085 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.812 4.943 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.760 6.481 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.262 6.099 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.937 6.928 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.741 7.556 -1.062 1.00 0.00 H new ATOM 401 N ALA A 92 -5.025 4.396 0.700 1.00 0.00 N ATOM 402 CA ALA A 92 -4.500 3.998 1.959 1.00 0.00 C ATOM 403 C ALA A 92 -3.364 4.905 2.348 1.00 0.00 C ATOM 404 O ALA A 92 -2.619 5.369 1.490 1.00 0.00 O ATOM 405 CB ALA A 92 -4.021 2.574 1.877 1.00 0.00 C ATOM 0 H ALA A 92 -4.316 4.679 0.023 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.281 4.069 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.618 2.269 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.855 1.924 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.242 2.495 1.118 1.00 0.00 H new ATOM 411 N GLU A 93 -3.231 5.169 3.608 1.00 0.00 N ATOM 412 CA GLU A 93 -2.161 6.000 4.077 1.00 0.00 C ATOM 413 C GLU A 93 -1.120 5.127 4.752 1.00 0.00 C ATOM 414 O GLU A 93 -1.457 4.192 5.492 1.00 0.00 O ATOM 415 CB GLU A 93 -2.675 7.101 5.011 1.00 0.00 C ATOM 416 CG GLU A 93 -1.603 8.098 5.430 1.00 0.00 C ATOM 417 CD GLU A 93 -2.153 9.241 6.241 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.639 10.230 5.650 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.094 9.191 7.490 1.00 0.00 O ATOM 0 H GLU A 93 -3.853 4.820 4.338 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.700 6.509 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.484 7.638 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.098 6.640 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.840 7.581 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.113 8.493 4.540 1.00 0.00 H new ATOM 426 N ILE A 94 0.121 5.387 4.443 1.00 0.00 N ATOM 427 CA ILE A 94 1.241 4.626 4.965 1.00 0.00 C ATOM 428 C ILE A 94 1.523 4.951 6.425 1.00 0.00 C ATOM 429 O ILE A 94 1.799 6.105 6.788 1.00 0.00 O ATOM 430 CB ILE A 94 2.504 4.861 4.120 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.194 4.495 2.681 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.662 4.014 4.651 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.253 4.881 1.703 1.00 0.00 C ATOM 0 H ILE A 94 0.394 6.142 3.814 1.00 0.00 H new ATOM 0 HA ILE A 94 0.963 3.574 4.906 1.00 0.00 H new ATOM 0 HB ILE A 94 2.801 5.908 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.035 3.418 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.258 4.973 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.550 4.190 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.869 4.289 5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.393 2.959 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.949 4.582 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.398 5.961 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.187 4.383 1.963 1.00 0.00 H new ATOM 445 N GLU A 95 1.467 3.928 7.235 1.00 0.00 N ATOM 446 CA GLU A 95 1.688 4.014 8.659 1.00 0.00 C ATOM 447 C GLU A 95 3.125 3.670 9.024 1.00 0.00 C ATOM 448 O GLU A 95 3.728 4.313 9.871 1.00 0.00 O ATOM 449 CB GLU A 95 0.750 3.049 9.363 1.00 0.00 C ATOM 450 CG GLU A 95 -0.712 3.379 9.190 1.00 0.00 C ATOM 451 CD GLU A 95 -1.122 4.622 9.939 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.506 4.508 11.131 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.073 5.727 9.371 1.00 0.00 O ATOM 0 H GLU A 95 1.260 2.982 6.915 1.00 0.00 H new ATOM 0 HA GLU A 95 1.495 5.039 8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.932 2.042 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.986 3.039 10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.927 3.511 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.313 2.538 9.535 1.00 0.00 H new ATOM 460 N GLU A 96 3.673 2.667 8.375 1.00 0.00 N ATOM 461 CA GLU A 96 5.012 2.187 8.701 1.00 0.00 C ATOM 462 C GLU A 96 5.629 1.592 7.453 1.00 0.00 C ATOM 463 O GLU A 96 4.914 1.079 6.609 1.00 0.00 O ATOM 464 CB GLU A 96 4.888 1.125 9.809 1.00 0.00 C ATOM 465 CG GLU A 96 6.192 0.594 10.371 1.00 0.00 C ATOM 466 CD GLU A 96 5.955 -0.437 11.448 1.00 0.00 C ATOM 467 OE1 GLU A 96 5.566 -0.056 12.577 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.128 -1.637 11.197 1.00 0.00 O ATOM 0 H GLU A 96 3.217 2.162 7.615 1.00 0.00 H new ATOM 0 HA GLU A 96 5.648 2.999 9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.309 1.550 10.629 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.316 0.284 9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.782 0.153 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.776 1.419 10.779 1.00 0.00 H new ATOM 475 N ILE A 97 6.930 1.697 7.319 1.00 0.00 N ATOM 476 CA ILE A 97 7.627 1.173 6.159 1.00 0.00 C ATOM 477 C ILE A 97 8.738 0.240 6.589 1.00 0.00 C ATOM 478 O ILE A 97 9.544 0.567 7.464 1.00 0.00 O ATOM 479 CB ILE A 97 8.244 2.323 5.334 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.160 3.274 4.896 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.990 1.788 4.104 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.666 4.637 4.675 1.00 0.00 C ATOM 0 H ILE A 97 7.537 2.145 8.006 1.00 0.00 H new ATOM 0 HA ILE A 97 6.903 0.631 5.551 1.00 0.00 H new ATOM 0 HB ILE A 97 8.961 2.847 5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.706 2.904 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.375 3.299 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.413 2.622 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.792 1.123 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.296 1.239 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.846 5.283 4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.096 5.020 5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.432 4.620 3.899 1.00 0.00 H new ATOM 494 N ASP A 98 8.778 -0.893 5.979 1.00 0.00 N ATOM 495 CA ASP A 98 9.820 -1.843 6.185 1.00 0.00 C ATOM 496 C ASP A 98 10.705 -1.783 4.974 1.00 0.00 C ATOM 497 O ASP A 98 10.405 -2.375 3.938 1.00 0.00 O ATOM 498 CB ASP A 98 9.274 -3.254 6.339 1.00 0.00 C ATOM 499 CG ASP A 98 10.360 -4.239 6.646 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.022 -4.709 5.722 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.567 -4.564 7.844 1.00 0.00 O ATOM 0 H ASP A 98 8.072 -1.194 5.307 1.00 0.00 H new ATOM 0 HA ASP A 98 10.360 -1.605 7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.531 -3.271 7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.764 -3.549 5.422 1.00 0.00 H new ATOM 506 N GLU A 99 11.744 -1.002 5.065 1.00 0.00 N ATOM 507 CA GLU A 99 12.664 -0.820 3.956 1.00 0.00 C ATOM 508 C GLU A 99 13.432 -2.089 3.634 1.00 0.00 C ATOM 509 O GLU A 99 13.981 -2.219 2.540 1.00 0.00 O ATOM 510 CB GLU A 99 13.628 0.305 4.222 1.00 0.00 C ATOM 511 CG GLU A 99 12.972 1.655 4.412 1.00 0.00 C ATOM 512 CD GLU A 99 13.989 2.728 4.627 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.404 2.944 5.777 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.440 3.338 3.639 1.00 0.00 O ATOM 0 H GLU A 99 11.985 -0.471 5.902 1.00 0.00 H new ATOM 0 HA GLU A 99 12.054 -0.565 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.208 0.067 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.331 0.369 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.368 1.894 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.296 1.616 5.266 1.00 0.00 H new ATOM 521 N GLU A 100 13.452 -3.010 4.578 1.00 0.00 N ATOM 522 CA GLU A 100 14.193 -4.241 4.453 1.00 0.00 C ATOM 523 C GLU A 100 13.587 -5.114 3.362 1.00 0.00 C ATOM 524 O GLU A 100 14.294 -5.672 2.527 1.00 0.00 O ATOM 525 CB GLU A 100 14.134 -4.981 5.785 1.00 0.00 C ATOM 526 CG GLU A 100 15.009 -6.207 5.857 1.00 0.00 C ATOM 527 CD GLU A 100 16.441 -5.874 5.616 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.004 -5.055 6.364 1.00 0.00 O ATOM 529 OE2 GLU A 100 17.034 -6.401 4.659 1.00 0.00 O ATOM 0 H GLU A 100 12.948 -2.920 5.460 1.00 0.00 H new ATOM 0 HA GLU A 100 15.226 -4.018 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.425 -4.295 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.102 -5.274 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.903 -6.673 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.675 -6.937 5.119 1.00 0.00 H new ATOM 536 N ASN A 101 12.289 -5.197 3.354 1.00 0.00 N ATOM 537 CA ASN A 101 11.585 -5.992 2.362 1.00 0.00 C ATOM 538 C ASN A 101 11.028 -5.109 1.297 1.00 0.00 C ATOM 539 O ASN A 101 10.656 -5.579 0.217 1.00 0.00 O ATOM 540 CB ASN A 101 10.434 -6.766 3.007 1.00 0.00 C ATOM 541 CG ASN A 101 10.885 -7.763 4.048 1.00 0.00 C ATOM 542 OD1 ASN A 101 11.120 -8.936 3.754 1.00 0.00 O ATOM 543 ND2 ASN A 101 11.028 -7.314 5.250 1.00 0.00 N ATOM 0 H ASN A 101 11.683 -4.724 4.024 1.00 0.00 H new ATOM 0 HA ASN A 101 12.297 -6.695 1.929 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.745 -6.059 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.879 -7.291 2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.345 -7.937 5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.824 -6.336 5.457 1.00 0.00 H new ATOM 550 N GLY A 102 11.005 -3.825 1.575 1.00 0.00 N ATOM 551 CA GLY A 102 10.403 -2.897 0.667 1.00 0.00 C ATOM 552 C GLY A 102 8.901 -2.970 0.796 1.00 0.00 C ATOM 553 O GLY A 102 8.167 -2.865 -0.193 1.00 0.00 O ATOM 0 H GLY A 102 11.396 -3.409 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.748 -1.886 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.703 -3.126 -0.356 1.00 0.00 H new ATOM 557 N THR A 103 8.444 -3.182 2.005 1.00 0.00 N ATOM 558 CA THR A 103 7.047 -3.288 2.283 1.00 0.00 C ATOM 559 C THR A 103 6.571 -2.136 3.151 1.00 0.00 C ATOM 560 O THR A 103 7.368 -1.480 3.807 1.00 0.00 O ATOM 561 CB THR A 103 6.740 -4.641 2.942 1.00 0.00 C ATOM 562 OG1 THR A 103 7.720 -4.907 3.957 1.00 0.00 O ATOM 563 CG2 THR A 103 6.754 -5.767 1.923 1.00 0.00 C ATOM 0 H THR A 103 9.042 -3.286 2.825 1.00 0.00 H new ATOM 0 HA THR A 103 6.503 -3.232 1.340 1.00 0.00 H new ATOM 0 HB THR A 103 5.744 -4.590 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.526 -5.769 4.381 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.533 -6.711 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.001 -5.575 1.158 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.738 -5.824 1.457 1.00 0.00 H new ATOM 571 N ALA A 104 5.298 -1.853 3.110 1.00 0.00 N ATOM 572 CA ALA A 104 4.746 -0.799 3.903 1.00 0.00 C ATOM 573 C ALA A 104 3.433 -1.220 4.503 1.00 0.00 C ATOM 574 O ALA A 104 2.647 -1.943 3.883 1.00 0.00 O ATOM 575 CB ALA A 104 4.560 0.455 3.075 1.00 0.00 C ATOM 0 H ALA A 104 4.621 -2.346 2.528 1.00 0.00 H new ATOM 0 HA ALA A 104 5.446 -0.582 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.139 1.244 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.524 0.778 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.883 0.247 2.247 1.00 0.00 H new ATOM 581 N ALA A 105 3.221 -0.798 5.708 1.00 0.00 N ATOM 582 CA ALA A 105 2.006 -1.026 6.404 1.00 0.00 C ATOM 583 C ALA A 105 1.127 0.156 6.150 1.00 0.00 C ATOM 584 O ALA A 105 1.500 1.303 6.443 1.00 0.00 O ATOM 585 CB ALA A 105 2.264 -1.190 7.876 1.00 0.00 C ATOM 0 H ALA A 105 3.910 -0.272 6.245 1.00 0.00 H new ATOM 0 HA ALA A 105 1.528 -1.942 6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.321 -1.364 8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.928 -2.039 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.731 -0.286 8.267 1.00 0.00 H new ATOM 591 N ILE A 106 0.000 -0.095 5.608 1.00 0.00 N ATOM 592 CA ILE A 106 -0.876 0.943 5.174 1.00 0.00 C ATOM 593 C ILE A 106 -2.233 0.777 5.801 1.00 0.00 C ATOM 594 O ILE A 106 -2.643 -0.339 6.102 1.00 0.00 O ATOM 595 CB ILE A 106 -0.996 0.921 3.616 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.468 -0.451 3.106 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.300 1.310 2.949 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.934 -0.524 2.865 1.00 0.00 C ATOM 0 H ILE A 106 -0.354 -1.038 5.446 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.465 1.904 5.485 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.749 1.663 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.944 -0.685 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.189 -1.215 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.175 1.282 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.579 2.318 3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.084 0.611 3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.195 -1.520 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.466 -0.322 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.217 0.216 2.117 1.00 0.00 H new ATOM 610 N THR A 107 -2.893 1.861 6.030 1.00 0.00 N ATOM 611 CA THR A 107 -4.225 1.846 6.541 1.00 0.00 C ATOM 612 C THR A 107 -5.174 2.395 5.496 1.00 0.00 C ATOM 613 O THR A 107 -4.956 3.478 4.963 1.00 0.00 O ATOM 614 CB THR A 107 -4.332 2.641 7.853 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.508 2.007 8.846 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.771 2.712 8.354 1.00 0.00 C ATOM 0 H THR A 107 -2.519 2.796 5.866 1.00 0.00 H new ATOM 0 HA THR A 107 -4.500 0.816 6.767 1.00 0.00 H new ATOM 0 HB THR A 107 -3.996 3.661 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.567 2.506 9.687 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.805 3.282 9.283 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.393 3.202 7.605 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.144 1.704 8.533 1.00 0.00 H new ATOM 624 N PHE A 108 -6.179 1.620 5.175 1.00 0.00 N ATOM 625 CA PHE A 108 -7.163 1.998 4.204 1.00 0.00 C ATOM 626 C PHE A 108 -8.019 3.109 4.718 1.00 0.00 C ATOM 627 O PHE A 108 -8.735 2.941 5.711 1.00 0.00 O ATOM 628 CB PHE A 108 -8.001 0.813 3.777 1.00 0.00 C ATOM 629 CG PHE A 108 -7.226 -0.167 2.962 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.927 0.130 1.645 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.787 -1.371 3.499 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.212 -0.746 0.865 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.064 -2.254 2.724 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.776 -1.942 1.403 1.00 0.00 C ATOM 0 H PHE A 108 -6.335 0.700 5.587 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.637 2.360 3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.397 0.314 4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.856 1.165 3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.261 1.066 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.013 -1.616 4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.992 -0.501 -0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.722 -3.188 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.211 -2.634 0.795 1.00 0.00 H new ATOM 644 N ALA A 109 -7.952 4.224 4.027 1.00 0.00 N ATOM 645 CA ALA A 109 -8.633 5.424 4.419 1.00 0.00 C ATOM 646 C ALA A 109 -10.122 5.230 4.347 1.00 0.00 C ATOM 647 O ALA A 109 -10.635 4.621 3.394 1.00 0.00 O ATOM 648 CB ALA A 109 -8.195 6.583 3.548 1.00 0.00 C ATOM 0 H ALA A 109 -7.414 4.318 3.166 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.372 5.655 5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.719 7.488 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.120 6.732 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.430 6.364 2.506 1.00 0.00 H new ATOM 654 N GLY A 110 -10.799 5.671 5.363 1.00 0.00 N ATOM 655 CA GLY A 110 -12.215 5.545 5.424 1.00 0.00 C ATOM 656 C GLY A 110 -12.616 4.304 6.169 1.00 0.00 C ATOM 657 O GLY A 110 -13.270 4.382 7.212 1.00 0.00 O ATOM 0 H GLY A 110 -10.380 6.129 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.640 6.421 5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.624 5.515 4.414 1.00 0.00 H new ATOM 661 N TYR A 111 -12.194 3.162 5.658 1.00 0.00 N ATOM 662 CA TYR A 111 -12.554 1.877 6.226 1.00 0.00 C ATOM 663 C TYR A 111 -11.797 1.630 7.539 1.00 0.00 C ATOM 664 O TYR A 111 -12.398 1.293 8.560 1.00 0.00 O ATOM 665 CB TYR A 111 -12.215 0.773 5.244 1.00 0.00 C ATOM 666 CG TYR A 111 -12.710 0.985 3.823 1.00 0.00 C ATOM 667 CD1 TYR A 111 -14.023 0.705 3.452 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.837 1.439 2.846 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.441 0.874 2.138 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.237 1.609 1.546 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.540 1.326 1.189 1.00 0.00 C ATOM 672 OH TYR A 111 -13.943 1.495 -0.118 1.00 0.00 O ATOM 0 H TYR A 111 -11.592 3.100 4.837 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.625 1.880 6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.132 0.654 5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.630 -0.163 5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.724 0.353 4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.816 1.664 3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.461 0.654 1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.536 1.963 0.805 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.317 1.036 -0.715 1.00 0.00 H new ATOM 682 N GLY A 112 -10.486 1.813 7.511 1.00 0.00 N ATOM 683 CA GLY A 112 -9.695 1.650 8.707 1.00 0.00 C ATOM 684 C GLY A 112 -8.922 0.338 8.816 1.00 0.00 C ATOM 685 O GLY A 112 -8.443 0.009 9.898 1.00 0.00 O ATOM 0 H GLY A 112 -9.957 2.072 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.985 2.475 8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.354 1.735 9.571 1.00 0.00 H new ATOM 689 N ASN A 113 -8.761 -0.414 7.730 1.00 0.00 N ATOM 690 CA ASN A 113 -7.975 -1.667 7.846 1.00 0.00 C ATOM 691 C ASN A 113 -6.543 -1.389 7.585 1.00 0.00 C ATOM 692 O ASN A 113 -6.211 -0.374 7.001 1.00 0.00 O ATOM 693 CB ASN A 113 -8.410 -2.805 6.921 1.00 0.00 C ATOM 694 CG ASN A 113 -9.754 -3.394 7.231 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.242 -3.324 8.354 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.310 -4.053 6.272 1.00 0.00 N ATOM 0 H ASN A 113 -9.135 -0.207 6.804 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.156 -2.009 8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.419 -2.436 5.895 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.663 -3.597 6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.190 -4.542 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.869 -4.085 5.353 1.00 0.00 H new ATOM 703 N ALA A 114 -5.697 -2.297 7.958 1.00 0.00 N ATOM 704 CA ALA A 114 -4.286 -2.112 7.785 1.00 0.00 C ATOM 705 C ALA A 114 -3.656 -3.384 7.290 1.00 0.00 C ATOM 706 O ALA A 114 -3.956 -4.469 7.801 1.00 0.00 O ATOM 707 CB ALA A 114 -3.641 -1.666 9.090 1.00 0.00 C ATOM 0 H ALA A 114 -5.960 -3.183 8.389 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.124 -1.331 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.570 -1.531 8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.084 -0.723 9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.807 -2.424 9.855 1.00 0.00 H new ATOM 713 N GLU A 115 -2.824 -3.278 6.293 1.00 0.00 N ATOM 714 CA GLU A 115 -2.134 -4.423 5.780 1.00 0.00 C ATOM 715 C GLU A 115 -0.726 -4.038 5.417 1.00 0.00 C ATOM 716 O GLU A 115 -0.426 -2.850 5.254 1.00 0.00 O ATOM 717 CB GLU A 115 -2.851 -5.056 4.564 1.00 0.00 C ATOM 718 CG GLU A 115 -2.802 -4.287 3.257 1.00 0.00 C ATOM 719 CD GLU A 115 -3.218 -5.173 2.097 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.434 -5.446 1.937 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.317 -5.670 1.372 1.00 0.00 O ATOM 0 H GLU A 115 -2.607 -2.402 5.817 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.123 -5.180 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.420 -6.042 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.897 -5.207 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.461 -3.421 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.793 -3.909 3.089 1.00 0.00 H new ATOM 728 N VAL A 116 0.134 -5.010 5.336 1.00 0.00 N ATOM 729 CA VAL A 116 1.488 -4.790 4.924 1.00 0.00 C ATOM 730 C VAL A 116 1.599 -5.204 3.473 1.00 0.00 C ATOM 731 O VAL A 116 1.483 -6.387 3.144 1.00 0.00 O ATOM 732 CB VAL A 116 2.502 -5.589 5.788 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.929 -5.340 5.319 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.359 -5.221 7.260 1.00 0.00 C ATOM 0 H VAL A 116 -0.085 -5.982 5.555 1.00 0.00 H new ATOM 0 HA VAL A 116 1.733 -3.736 5.053 1.00 0.00 H new ATOM 0 HB VAL A 116 2.282 -6.650 5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.621 -5.910 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.030 -5.654 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.159 -4.278 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.078 -5.791 7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.548 -4.155 7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.349 -5.453 7.597 1.00 0.00 H new ATOM 744 N THR A 117 1.787 -4.262 2.627 1.00 0.00 N ATOM 745 CA THR A 117 1.841 -4.514 1.221 1.00 0.00 C ATOM 746 C THR A 117 3.133 -3.900 0.663 1.00 0.00 C ATOM 747 O THR A 117 3.594 -2.870 1.165 1.00 0.00 O ATOM 748 CB THR A 117 0.551 -3.989 0.488 1.00 0.00 C ATOM 749 OG1 THR A 117 0.446 -4.543 -0.839 1.00 0.00 O ATOM 750 CG2 THR A 117 0.531 -2.474 0.401 1.00 0.00 C ATOM 0 H THR A 117 1.910 -3.283 2.884 1.00 0.00 H new ATOM 0 HA THR A 117 1.860 -5.588 1.039 1.00 0.00 H new ATOM 0 HB THR A 117 -0.302 -4.315 1.083 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.364 -4.203 -1.272 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.375 -2.151 -0.112 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.550 -2.052 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.404 -2.130 -0.154 1.00 0.00 H new ATOM 758 N PRO A 118 3.804 -4.575 -0.280 1.00 0.00 N ATOM 759 CA PRO A 118 5.056 -4.089 -0.852 1.00 0.00 C ATOM 760 C PRO A 118 4.895 -2.739 -1.552 1.00 0.00 C ATOM 761 O PRO A 118 3.844 -2.448 -2.125 1.00 0.00 O ATOM 762 CB PRO A 118 5.435 -5.172 -1.862 1.00 0.00 C ATOM 763 CG PRO A 118 4.166 -5.863 -2.168 1.00 0.00 C ATOM 764 CD PRO A 118 3.378 -5.838 -0.897 1.00 0.00 C ATOM 0 HA PRO A 118 5.811 -3.921 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.876 -4.739 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.170 -5.861 -1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.629 -5.359 -2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.346 -6.886 -2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.305 -5.855 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.604 -6.695 -0.263 1.00 0.00 H new ATOM 772 N LEU A 119 5.953 -1.934 -1.522 1.00 0.00 N ATOM 773 CA LEU A 119 5.988 -0.597 -2.145 1.00 0.00 C ATOM 774 C LEU A 119 5.651 -0.671 -3.626 1.00 0.00 C ATOM 775 O LEU A 119 5.186 0.293 -4.218 1.00 0.00 O ATOM 776 CB LEU A 119 7.370 0.054 -1.977 1.00 0.00 C ATOM 777 CG LEU A 119 7.887 0.220 -0.545 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.250 0.890 -0.539 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.905 0.988 0.323 1.00 0.00 C ATOM 0 H LEU A 119 6.826 -2.187 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 119 5.239 0.012 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.095 -0.540 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.340 1.039 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 119 7.990 -0.777 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.598 0.998 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.958 0.280 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.174 1.874 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.309 1.084 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.744 1.980 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.957 0.452 0.362 1.00 0.00 H new ATOM 791 N LEU A 120 5.915 -1.824 -4.214 1.00 0.00 N ATOM 792 CA LEU A 120 5.635 -2.073 -5.619 1.00 0.00 C ATOM 793 C LEU A 120 4.128 -2.032 -5.880 1.00 0.00 C ATOM 794 O LEU A 120 3.684 -1.610 -6.931 1.00 0.00 O ATOM 795 CB LEU A 120 6.247 -3.427 -6.032 1.00 0.00 C ATOM 796 CG LEU A 120 5.543 -4.699 -5.564 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.553 -5.141 -6.615 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.553 -5.790 -5.259 1.00 0.00 C ATOM 0 H LEU A 120 6.332 -2.619 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 120 6.090 -1.291 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.298 -3.453 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.273 -3.457 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 120 5.001 -4.493 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.050 -6.049 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.815 -4.355 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.078 -5.339 -7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.030 -6.687 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.127 -6.016 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.228 -5.452 -4.473 1.00 0.00 H new ATOM 810 N ASN A 121 3.366 -2.434 -4.880 1.00 0.00 N ATOM 811 CA ASN A 121 1.915 -2.498 -4.964 1.00 0.00 C ATOM 812 C ASN A 121 1.295 -1.149 -4.708 1.00 0.00 C ATOM 813 O ASN A 121 0.120 -0.924 -5.025 1.00 0.00 O ATOM 814 CB ASN A 121 1.345 -3.509 -3.954 1.00 0.00 C ATOM 815 CG ASN A 121 1.355 -4.948 -4.394 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.347 -5.270 -5.583 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.275 -5.821 -3.441 1.00 0.00 N ATOM 0 H ASN A 121 3.738 -2.729 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 121 1.669 -2.821 -5.975 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.913 -3.428 -3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.318 -3.226 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.202 -6.814 -3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.285 -5.516 -2.468 1.00 0.00 H new ATOM 824 N LEU A 122 2.073 -0.251 -4.143 1.00 0.00 N ATOM 825 CA LEU A 122 1.581 1.053 -3.805 1.00 0.00 C ATOM 826 C LEU A 122 1.624 1.963 -5.000 1.00 0.00 C ATOM 827 O LEU A 122 2.628 2.045 -5.701 1.00 0.00 O ATOM 828 CB LEU A 122 2.388 1.654 -2.659 1.00 0.00 C ATOM 829 CG LEU A 122 2.321 0.918 -1.332 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.132 1.658 -0.288 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.879 0.766 -0.883 1.00 0.00 C ATOM 0 H LEU A 122 3.053 -0.408 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 122 0.545 0.949 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.432 1.709 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.048 2.677 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 122 2.744 -0.078 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.079 1.123 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.171 1.720 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.731 2.663 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.848 0.237 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.429 1.752 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.323 0.200 -1.631 1.00 0.00 H new ATOM 843 N LYS A 123 0.530 2.616 -5.236 1.00 0.00 N ATOM 844 CA LYS A 123 0.408 3.555 -6.322 1.00 0.00 C ATOM 845 C LYS A 123 0.191 4.948 -5.772 1.00 0.00 C ATOM 846 O LYS A 123 -0.292 5.088 -4.653 1.00 0.00 O ATOM 847 CB LYS A 123 -0.746 3.157 -7.236 1.00 0.00 C ATOM 848 CG LYS A 123 -0.592 1.782 -7.821 1.00 0.00 C ATOM 849 CD LYS A 123 -1.692 1.483 -8.806 1.00 0.00 C ATOM 850 CE LYS A 123 -1.489 0.132 -9.487 1.00 0.00 C ATOM 851 NZ LYS A 123 -1.458 -0.994 -8.523 1.00 0.00 N ATOM 0 H LYS A 123 -0.317 2.516 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 123 1.328 3.546 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.679 3.203 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.826 3.882 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.375 1.701 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.604 1.041 -7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.653 1.490 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.728 2.269 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.291 -0.032 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.556 0.150 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.437 -1.895 -9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.609 -0.918 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.306 -0.960 -7.922 1.00 0.00 H new ATOM 865 N PRO A 124 0.534 5.992 -6.522 1.00 0.00 N ATOM 866 CA PRO A 124 0.304 7.365 -6.093 1.00 0.00 C ATOM 867 C PRO A 124 -1.172 7.717 -6.181 1.00 0.00 C ATOM 868 O PRO A 124 -1.900 7.176 -7.026 1.00 0.00 O ATOM 869 CB PRO A 124 1.113 8.197 -7.087 1.00 0.00 C ATOM 870 CG PRO A 124 1.206 7.355 -8.315 1.00 0.00 C ATOM 871 CD PRO A 124 1.171 5.921 -7.854 1.00 0.00 C ATOM 0 HA PRO A 124 0.597 7.537 -5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.622 9.147 -7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.102 8.430 -6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.379 7.565 -8.993 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.126 7.565 -8.860 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.598 5.295 -8.538 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.173 5.495 -7.796 1.00 0.00 H new ATOM 879 N VAL A 125 -1.627 8.577 -5.310 1.00 0.00 N ATOM 880 CA VAL A 125 -3.000 9.000 -5.352 1.00 0.00 C ATOM 881 C VAL A 125 -3.108 10.199 -6.271 1.00 0.00 C ATOM 882 O VAL A 125 -2.112 10.901 -6.496 1.00 0.00 O ATOM 883 CB VAL A 125 -3.566 9.384 -3.948 1.00 0.00 C ATOM 884 CG1 VAL A 125 -3.528 8.211 -3.001 1.00 0.00 C ATOM 885 CG2 VAL A 125 -2.830 10.576 -3.343 1.00 0.00 C ATOM 0 H VAL A 125 -1.070 8.997 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.590 8.159 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 125 -4.606 9.674 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.929 8.512 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.129 7.397 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.498 7.875 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.256 10.809 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -1.774 10.332 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.934 11.440 -4.000 1.00 0.00 H new ATOM 895 N GLU A 126 -4.249 10.423 -6.832 1.00 0.00 N ATOM 896 CA GLU A 126 -4.444 11.612 -7.614 1.00 0.00 C ATOM 897 C GLU A 126 -4.816 12.735 -6.680 1.00 0.00 C ATOM 898 O GLU A 126 -5.501 12.514 -5.666 1.00 0.00 O ATOM 899 CB GLU A 126 -5.495 11.457 -8.738 1.00 0.00 C ATOM 900 CG GLU A 126 -6.891 11.029 -8.290 1.00 0.00 C ATOM 901 CD GLU A 126 -6.961 9.577 -7.921 1.00 0.00 C ATOM 902 OE1 GLU A 126 -6.693 9.231 -6.761 1.00 0.00 O ATOM 903 OE2 GLU A 126 -7.230 8.752 -8.807 1.00 0.00 O ATOM 0 H GLU A 126 -5.060 9.807 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 126 -3.509 11.828 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -5.579 12.408 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -5.125 10.726 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -7.194 11.632 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -7.603 11.231 -9.090 1.00 0.00 H new ATOM 910 N GLU A 127 -4.351 13.901 -6.978 1.00 0.00 N ATOM 911 CA GLU A 127 -4.616 15.055 -6.163 1.00 0.00 C ATOM 912 C GLU A 127 -5.988 15.616 -6.469 1.00 0.00 C ATOM 913 O GLU A 127 -6.150 16.473 -7.349 1.00 0.00 O ATOM 914 CB GLU A 127 -3.528 16.092 -6.369 1.00 0.00 C ATOM 915 CG GLU A 127 -2.163 15.578 -5.972 1.00 0.00 C ATOM 916 CD GLU A 127 -1.052 16.390 -6.543 1.00 0.00 C ATOM 917 OE1 GLU A 127 -0.647 16.114 -7.680 1.00 0.00 O ATOM 918 OE2 GLU A 127 -0.550 17.316 -5.867 1.00 0.00 O ATOM 0 H GLU A 127 -3.772 14.089 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.610 14.763 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.510 16.393 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.762 16.982 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.083 15.575 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.059 14.545 -6.302 1.00 0.00 H new ATOM 925 N GLY A 128 -6.965 15.063 -5.816 1.00 0.00 N ATOM 926 CA GLY A 128 -8.311 15.480 -5.951 1.00 0.00 C ATOM 927 C GLY A 128 -9.094 14.907 -4.826 1.00 0.00 C ATOM 928 O GLY A 128 -10.068 15.521 -4.383 1.00 0.00 O ATOM 929 OXT GLY A 128 -8.704 13.824 -4.333 1.00 0.00 O ATOM 0 H GLY A 128 -6.836 14.292 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.374 16.568 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.718 15.146 -6.905 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 N 2MR A1129 -16.860 -4.926 -0.791 1.00 0.00 N HETATM 935 CA 2MR A1129 -16.961 -3.913 0.237 1.00 0.00 C HETATM 936 CB 2MR A1129 -15.631 -3.767 0.966 1.00 0.00 C HETATM 937 CG 2MR A1129 -15.679 -2.826 2.135 1.00 0.00 C HETATM 938 CD 2MR A1129 -14.332 -2.708 2.786 1.00 0.00 C HETATM 939 NE 2MR A1129 -13.326 -2.300 1.827 1.00 0.00 N HETATM 940 CZ 2MR A1129 -12.084 -2.037 2.114 1.00 0.00 C HETATM 941 NH1 2MR A1129 -11.672 -2.144 3.419 1.00 0.00 N HETATM 942 CQ1 2MR A1129 -10.359 -1.915 4.041 1.00 0.00 C HETATM 943 NH2 2MR A1129 -11.276 -1.687 1.087 1.00 0.00 N HETATM 944 CQ2 2MR A1129 -9.866 -1.335 1.054 1.00 0.00 C HETATM 945 C 2MR A1129 -17.316 -2.616 -0.423 1.00 0.00 C HETATM 946 O 2MR A1129 -18.363 -2.047 -0.107 1.00 0.00 O HETATM 947 OXT 2MR A1129 -16.547 -2.162 -1.270 1.00 0.00 O HETATM 0 HQ23 2MR A1129 -9.695 -0.459 1.680 1.00 0.00 H new HETATM 0 HQ22 2MR A1129 -9.274 -2.170 1.428 1.00 0.00 H new HETATM 0 HQ21 2MR A1129 -9.571 -1.112 0.029 1.00 0.00 H new HETATM 0 HQ13 2MR A1129 -9.625 -2.588 3.599 1.00 0.00 H new HETATM 0 HQ12 2MR A1129 -10.052 -0.883 3.874 1.00 0.00 H new HETATM 0 HQ11 2MR A1129 -10.426 -2.104 5.112 1.00 0.00 H new HETATM 0 HH2 2MR A1129 -11.736 -1.667 0.177 1.00 0.00 H new HETATM 0 HG3 2MR A1129 -16.013 -1.843 1.802 1.00 0.00 H new HETATM 0 HG2 2MR A1129 -16.409 -3.181 2.863 1.00 0.00 H new HETATM 0 HE 2MR A1129 -13.613 -2.212 0.852 1.00 0.00 H new HETATM 0 HD3 2MR A1129 -14.379 -1.984 3.599 1.00 0.00 H new HETATM 0 HD2 2MR A1129 -14.052 -3.665 3.227 1.00 0.00 H new HETATM 0 HB3 2MR A1129 -15.309 -4.748 1.315 1.00 0.00 H new HETATM 0 HB2 2MR A1129 -14.878 -3.417 0.261 1.00 0.00 H new HETATM 0 HA 2MR A1129 -17.723 -4.195 0.963 1.00 0.00 H new HETATM 0 H2 2MR A1129 -17.669 -5.145 -1.372 1.00 0.00 H new HETATM 0 H 2MR A1129 -15.980 -5.421 -0.934 1.00 0.00 H new