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= -0.508 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.43 X(o=-1.9,f=-2.2!) USER MOD Set 2.1: A 80 MET CE :methyl 154:sc= -0.187 (180deg=-1.05) USER MOD Set 2.2: A 89 CYS SG : rot 28:sc= 0.0511 USER MOD Single : A 66 SER OG : rot -5:sc= 0.483 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.57) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -115:sc= 1.98 (180deg=0.298) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.748) USER MOD Single : A 79 CYS SG : rot -11:sc= -1.94! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.112 X(o=0.11,f=-0.095) USER MOD Single : A 90 TYR OH : rot -1:sc= 0.391 USER MOD Single : A 101 ASN : amide:sc= 0.998 K(o=1,f=-0.14) USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 111 TYR OH : rot -138:sc= 0.174 USER MOD Single : A 113 ASN : amide:sc= -2.5! X(o=-2.5!,f=-2.3) USER MOD Single : A 123 LYS NZ :NH3+ -166:sc= 1.31 (180deg=0.991) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 16.038 -8.535 1.648 1.00 0.00 N ATOM 2 CA ALA A 65 15.481 -7.767 0.524 1.00 0.00 C ATOM 3 C ALA A 65 15.271 -8.696 -0.652 1.00 0.00 C ATOM 4 O ALA A 65 15.883 -9.756 -0.712 1.00 0.00 O ATOM 5 CB ALA A 65 16.426 -6.632 0.140 1.00 0.00 C ATOM 0 HA ALA A 65 14.526 -7.331 0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.002 -6.072 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.562 -5.967 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.391 -7.046 -0.155 1.00 0.00 H new ATOM 13 N SER A 66 14.384 -8.356 -1.558 1.00 0.00 N ATOM 14 CA SER A 66 14.159 -9.188 -2.727 1.00 0.00 C ATOM 15 C SER A 66 13.659 -8.358 -3.898 1.00 0.00 C ATOM 16 O SER A 66 14.369 -8.167 -4.887 1.00 0.00 O ATOM 17 CB SER A 66 13.172 -10.337 -2.425 1.00 0.00 C ATOM 18 OG SER A 66 13.637 -11.159 -1.353 1.00 0.00 O ATOM 0 H SER A 66 13.808 -7.516 -1.513 1.00 0.00 H new ATOM 0 HA SER A 66 15.118 -9.630 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.197 -9.923 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.036 -10.946 -3.319 1.00 0.00 H new ATOM 0 HG SER A 66 14.530 -10.863 -1.078 1.00 0.00 H new ATOM 24 N THR A 67 12.469 -7.850 -3.784 1.00 0.00 N ATOM 25 CA THR A 67 11.882 -7.111 -4.851 1.00 0.00 C ATOM 26 C THR A 67 12.063 -5.620 -4.589 1.00 0.00 C ATOM 27 O THR A 67 11.453 -5.064 -3.655 1.00 0.00 O ATOM 28 CB THR A 67 10.387 -7.449 -4.964 1.00 0.00 C ATOM 29 OG1 THR A 67 10.209 -8.881 -4.834 1.00 0.00 O ATOM 30 CG2 THR A 67 9.846 -7.010 -6.315 1.00 0.00 C ATOM 0 H THR A 67 11.884 -7.937 -2.953 1.00 0.00 H new ATOM 0 HA THR A 67 12.371 -7.376 -5.789 1.00 0.00 H new ATOM 0 HB THR A 67 9.849 -6.926 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.256 -9.100 -4.904 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.786 -7.256 -6.380 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.976 -5.934 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.387 -7.525 -7.109 1.00 0.00 H new ATOM 38 N GLN A 68 12.940 -4.995 -5.350 1.00 0.00 N ATOM 39 CA GLN A 68 13.196 -3.579 -5.209 1.00 0.00 C ATOM 40 C GLN A 68 12.105 -2.786 -5.917 1.00 0.00 C ATOM 41 O GLN A 68 11.951 -2.868 -7.145 1.00 0.00 O ATOM 42 CB GLN A 68 14.577 -3.211 -5.756 1.00 0.00 C ATOM 43 CG GLN A 68 15.726 -3.895 -5.027 1.00 0.00 C ATOM 44 CD GLN A 68 15.778 -3.557 -3.545 1.00 0.00 C ATOM 45 OE1 GLN A 68 15.391 -2.463 -3.119 1.00 0.00 O ATOM 46 NE2 GLN A 68 16.244 -4.478 -2.754 1.00 0.00 N ATOM 0 H GLN A 68 13.490 -5.452 -6.077 1.00 0.00 H new ATOM 0 HA GLN A 68 13.185 -3.327 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.621 -3.474 -6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.708 -2.131 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.631 -4.975 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.668 -3.605 -5.493 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.555 -5.370 -3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.298 -4.308 -1.750 1.00 0.00 H new ATOM 55 N PRO A 69 11.323 -2.027 -5.165 1.00 0.00 N ATOM 56 CA PRO A 69 10.205 -1.279 -5.706 1.00 0.00 C ATOM 57 C PRO A 69 10.626 0.019 -6.396 1.00 0.00 C ATOM 58 O PRO A 69 11.565 0.697 -5.967 1.00 0.00 O ATOM 59 CB PRO A 69 9.362 -0.983 -4.474 1.00 0.00 C ATOM 60 CG PRO A 69 10.339 -0.914 -3.347 1.00 0.00 C ATOM 61 CD PRO A 69 11.477 -1.823 -3.706 1.00 0.00 C ATOM 0 HA PRO A 69 9.683 -1.839 -6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.818 -0.045 -4.584 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.620 -1.764 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.691 0.107 -3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.874 -1.227 -2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 69 12.440 -1.372 -3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.422 -2.766 -3.163 1.00 0.00 H new ATOM 69 N THR A 70 9.944 0.341 -7.463 1.00 0.00 N ATOM 70 CA THR A 70 10.170 1.543 -8.199 1.00 0.00 C ATOM 71 C THR A 70 9.535 2.730 -7.455 1.00 0.00 C ATOM 72 O THR A 70 9.999 3.869 -7.542 1.00 0.00 O ATOM 73 CB THR A 70 9.505 1.406 -9.581 1.00 0.00 C ATOM 74 OG1 THR A 70 9.965 0.213 -10.234 1.00 0.00 O ATOM 75 CG2 THR A 70 9.822 2.593 -10.444 1.00 0.00 C ATOM 0 H THR A 70 9.201 -0.242 -7.848 1.00 0.00 H new ATOM 0 HA THR A 70 11.241 1.713 -8.308 1.00 0.00 H new ATOM 0 HB THR A 70 8.426 1.352 -9.433 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.535 0.134 -11.111 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.342 2.475 -11.416 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.453 3.500 -9.965 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.901 2.667 -10.579 1.00 0.00 H new ATOM 83 N HIS A 71 8.500 2.437 -6.707 1.00 0.00 N ATOM 84 CA HIS A 71 7.741 3.451 -6.010 1.00 0.00 C ATOM 85 C HIS A 71 8.417 3.813 -4.691 1.00 0.00 C ATOM 86 O HIS A 71 8.714 2.933 -3.867 1.00 0.00 O ATOM 87 CB HIS A 71 6.319 2.964 -5.725 1.00 0.00 C ATOM 88 CG HIS A 71 5.509 2.547 -6.921 1.00 0.00 C ATOM 89 ND1 HIS A 71 4.560 3.338 -7.529 1.00 0.00 N ATOM 90 CD2 HIS A 71 5.486 1.368 -7.580 1.00 0.00 C ATOM 91 CE1 HIS A 71 4.001 2.631 -8.512 1.00 0.00 C ATOM 92 NE2 HIS A 71 4.533 1.421 -8.587 1.00 0.00 N ATOM 0 H HIS A 71 8.158 1.487 -6.563 1.00 0.00 H new ATOM 0 HA HIS A 71 7.698 4.332 -6.650 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.377 2.119 -5.039 1.00 0.00 H new ATOM 0 HB3 HIS A 71 5.782 3.759 -5.207 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.112 0.517 -7.358 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.219 2.997 -9.160 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.292 0.682 -9.247 1.00 0.00 H new ATOM 100 N SER A 72 8.674 5.080 -4.499 1.00 0.00 N ATOM 101 CA SER A 72 9.274 5.560 -3.288 1.00 0.00 C ATOM 102 C SER A 72 8.189 6.172 -2.394 1.00 0.00 C ATOM 103 O SER A 72 7.410 7.031 -2.838 1.00 0.00 O ATOM 104 CB SER A 72 10.373 6.570 -3.615 1.00 0.00 C ATOM 105 OG SER A 72 11.069 6.969 -2.447 1.00 0.00 O ATOM 0 H SER A 72 8.471 5.809 -5.183 1.00 0.00 H new ATOM 0 HA SER A 72 9.737 4.735 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.073 6.132 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.935 7.444 -4.097 1.00 0.00 H new ATOM 0 HG SER A 72 11.767 7.614 -2.686 1.00 0.00 H new ATOM 111 N TRP A 73 8.097 5.684 -1.177 1.00 0.00 N ATOM 112 CA TRP A 73 7.072 6.110 -0.248 1.00 0.00 C ATOM 113 C TRP A 73 7.654 6.592 1.069 1.00 0.00 C ATOM 114 O TRP A 73 8.739 6.152 1.459 1.00 0.00 O ATOM 115 CB TRP A 73 6.116 4.962 -0.002 1.00 0.00 C ATOM 116 CG TRP A 73 5.393 4.544 -1.235 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.618 3.433 -1.973 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.357 5.261 -1.900 1.00 0.00 C ATOM 119 NE1 TRP A 73 4.772 3.397 -3.038 1.00 0.00 N ATOM 120 CE2 TRP A 73 3.992 4.507 -3.022 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.696 6.464 -1.650 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.006 4.907 -3.894 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.713 6.861 -2.520 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.377 6.079 -3.633 1.00 0.00 C ATOM 0 H TRP A 73 8.732 4.979 -0.802 1.00 0.00 H new ATOM 0 HA TRP A 73 6.544 6.953 -0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.670 4.112 0.396 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.391 5.254 0.758 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.362 2.683 -1.749 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.731 2.655 -3.736 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.952 7.068 -0.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.743 4.310 -4.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.190 7.790 -2.345 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.598 6.418 -4.299 1.00 0.00 H new ATOM 135 N LYS A 74 6.956 7.506 1.732 1.00 0.00 N ATOM 136 CA LYS A 74 7.326 7.935 3.065 1.00 0.00 C ATOM 137 C LYS A 74 6.145 7.801 4.018 1.00 0.00 C ATOM 138 O LYS A 74 4.981 7.761 3.591 1.00 0.00 O ATOM 139 CB LYS A 74 7.874 9.371 3.119 1.00 0.00 C ATOM 140 CG LYS A 74 6.933 10.459 2.615 1.00 0.00 C ATOM 141 CD LYS A 74 7.365 11.838 3.104 1.00 0.00 C ATOM 142 CE LYS A 74 6.951 12.064 4.561 1.00 0.00 C ATOM 143 NZ LYS A 74 5.495 12.322 4.694 1.00 0.00 N ATOM 0 H LYS A 74 6.124 7.965 1.360 1.00 0.00 H new ATOM 0 HA LYS A 74 8.136 7.275 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.143 9.599 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.793 9.412 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.912 10.448 1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.919 10.252 2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.446 11.937 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.919 12.607 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.219 11.189 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.507 12.908 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.344 13.291 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.037 12.212 3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.082 11.645 5.367 1.00 0.00 H new ATOM 157 N VAL A 75 6.452 7.719 5.296 1.00 0.00 N ATOM 158 CA VAL A 75 5.452 7.600 6.343 1.00 0.00 C ATOM 159 C VAL A 75 4.561 8.838 6.382 1.00 0.00 C ATOM 160 O VAL A 75 5.051 9.975 6.320 1.00 0.00 O ATOM 161 CB VAL A 75 6.112 7.384 7.737 1.00 0.00 C ATOM 162 CG1 VAL A 75 5.081 7.406 8.856 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.885 6.077 7.770 1.00 0.00 C ATOM 0 H VAL A 75 7.411 7.733 5.643 1.00 0.00 H new ATOM 0 HA VAL A 75 4.841 6.727 6.112 1.00 0.00 H new ATOM 0 HB VAL A 75 6.804 8.210 7.898 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.579 7.252 9.813 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.572 8.370 8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.352 6.612 8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.338 5.947 8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.206 5.248 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.667 6.097 7.011 1.00 0.00 H new ATOM 173 N GLY A 76 3.268 8.610 6.434 1.00 0.00 N ATOM 174 CA GLY A 76 2.331 9.692 6.536 1.00 0.00 C ATOM 175 C GLY A 76 1.702 10.026 5.223 1.00 0.00 C ATOM 176 O GLY A 76 0.785 10.837 5.146 1.00 0.00 O ATOM 0 H GLY A 76 2.847 7.682 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.553 9.429 7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.839 10.573 6.927 1.00 0.00 H new ATOM 180 N ASP A 77 2.174 9.395 4.198 1.00 0.00 N ATOM 181 CA ASP A 77 1.675 9.632 2.869 1.00 0.00 C ATOM 182 C ASP A 77 0.667 8.630 2.509 1.00 0.00 C ATOM 183 O ASP A 77 0.737 7.483 2.951 1.00 0.00 O ATOM 184 CB ASP A 77 2.789 9.589 1.860 1.00 0.00 C ATOM 185 CG ASP A 77 3.590 10.873 1.780 1.00 0.00 C ATOM 186 OD1 ASP A 77 3.802 11.542 2.817 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.039 11.232 0.674 1.00 0.00 O ATOM 0 H ASP A 77 2.917 8.698 4.251 1.00 0.00 H new ATOM 0 HA ASP A 77 1.222 10.624 2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.461 8.767 2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.369 9.372 0.878 1.00 0.00 H new ATOM 192 N LYS A 78 -0.289 9.036 1.751 1.00 0.00 N ATOM 193 CA LYS A 78 -1.246 8.162 1.303 1.00 0.00 C ATOM 194 C LYS A 78 -1.029 7.728 -0.111 1.00 0.00 C ATOM 195 O LYS A 78 -0.544 8.479 -0.970 1.00 0.00 O ATOM 196 CB LYS A 78 -2.618 8.628 1.661 1.00 0.00 C ATOM 197 CG LYS A 78 -2.946 10.025 1.261 1.00 0.00 C ATOM 198 CD LYS A 78 -3.358 10.084 -0.157 1.00 0.00 C ATOM 199 CE LYS A 78 -3.992 11.426 -0.515 1.00 0.00 C ATOM 200 NZ LYS A 78 -5.266 11.652 0.206 1.00 0.00 N ATOM 0 H LYS A 78 -0.406 9.999 1.436 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.137 7.222 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.343 7.957 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.743 8.539 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.746 10.410 1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.079 10.666 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.490 9.912 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.067 9.282 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.295 12.230 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.172 11.466 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.769 12.456 -0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.858 10.799 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.067 11.860 1.205 1.00 0.00 H new ATOM 214 N CYS A 79 -1.376 6.531 -0.318 1.00 0.00 N ATOM 215 CA CYS A 79 -1.120 5.809 -1.514 1.00 0.00 C ATOM 216 C CYS A 79 -2.308 4.963 -1.821 1.00 0.00 C ATOM 217 O CYS A 79 -3.292 5.005 -1.107 1.00 0.00 O ATOM 218 CB CYS A 79 0.084 4.913 -1.297 1.00 0.00 C ATOM 219 SG CYS A 79 -0.043 3.870 0.186 1.00 0.00 S ATOM 0 H CYS A 79 -1.879 5.981 0.378 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.926 6.496 -2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.213 4.274 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.978 5.532 -1.220 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.054 4.259 0.905 1.00 0.00 H new ATOM 225 N MET A 80 -2.256 4.253 -2.883 1.00 0.00 N ATOM 226 CA MET A 80 -3.282 3.319 -3.169 1.00 0.00 C ATOM 227 C MET A 80 -2.700 1.962 -3.019 1.00 0.00 C ATOM 228 O MET A 80 -1.645 1.685 -3.559 1.00 0.00 O ATOM 229 CB MET A 80 -3.867 3.499 -4.557 1.00 0.00 C ATOM 230 CG MET A 80 -4.326 4.907 -4.835 1.00 0.00 C ATOM 231 SD MET A 80 -5.380 5.038 -6.279 1.00 0.00 S ATOM 232 CE MET A 80 -6.803 4.132 -5.677 1.00 0.00 C ATOM 0 H MET A 80 -1.509 4.299 -3.576 1.00 0.00 H new ATOM 0 HA MET A 80 -4.109 3.473 -2.476 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.119 3.216 -5.298 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.710 2.819 -4.679 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.864 5.284 -3.966 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.453 5.546 -4.972 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.698 4.474 -6.196 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.661 3.067 -5.861 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.917 4.303 -4.607 1.00 0.00 H new ATOM 242 N ALA A 81 -3.354 1.142 -2.291 1.00 0.00 N ATOM 243 CA ALA A 81 -2.875 -0.171 -2.023 1.00 0.00 C ATOM 244 C ALA A 81 -3.837 -1.151 -2.579 1.00 0.00 C ATOM 245 O ALA A 81 -5.026 -0.850 -2.709 1.00 0.00 O ATOM 246 CB ALA A 81 -2.744 -0.380 -0.530 1.00 0.00 C ATOM 0 H ALA A 81 -4.250 1.359 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.896 -0.305 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.377 -1.388 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.043 0.347 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.718 -0.251 -0.058 1.00 0.00 H new ATOM 252 N VAL A 82 -3.350 -2.291 -2.929 1.00 0.00 N ATOM 253 CA VAL A 82 -4.188 -3.331 -3.417 1.00 0.00 C ATOM 254 C VAL A 82 -4.686 -4.099 -2.223 1.00 0.00 C ATOM 255 O VAL A 82 -3.896 -4.724 -1.518 1.00 0.00 O ATOM 256 CB VAL A 82 -3.419 -4.278 -4.382 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.319 -5.387 -4.904 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.816 -3.494 -5.544 1.00 0.00 C ATOM 0 H VAL A 82 -2.359 -2.529 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.015 -2.905 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.610 -4.738 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.751 -6.031 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.693 -5.976 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.159 -4.950 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.283 -4.177 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.611 -2.997 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.122 -2.747 -5.158 1.00 0.00 H new ATOM 268 N TRP A 83 -5.978 -4.015 -1.985 1.00 0.00 N ATOM 269 CA TRP A 83 -6.599 -4.668 -0.875 1.00 0.00 C ATOM 270 C TRP A 83 -6.519 -6.128 -1.115 1.00 0.00 C ATOM 271 O TRP A 83 -7.114 -6.628 -2.066 1.00 0.00 O ATOM 272 CB TRP A 83 -8.065 -4.248 -0.744 1.00 0.00 C ATOM 273 CG TRP A 83 -8.696 -4.656 0.565 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.064 -4.777 1.753 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.073 -4.942 0.829 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.930 -5.136 2.726 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.172 -5.240 2.199 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.223 -4.981 0.057 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.369 -5.573 2.809 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.417 -5.313 0.665 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.476 -5.604 2.031 1.00 0.00 C ATOM 0 H TRP A 83 -6.624 -3.484 -2.568 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.090 -4.393 0.049 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.135 -3.165 -0.850 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.634 -4.686 -1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.008 -4.609 1.905 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.686 -5.302 3.702 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.186 -4.756 -0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.418 -5.799 3.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.321 -5.349 0.075 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.427 -5.859 2.476 1.00 0.00 H new ATOM 292 N SER A 84 -5.819 -6.807 -0.264 1.00 0.00 N ATOM 293 CA SER A 84 -5.556 -8.217 -0.426 1.00 0.00 C ATOM 294 C SER A 84 -6.863 -9.047 -0.407 1.00 0.00 C ATOM 295 O SER A 84 -6.907 -10.179 -0.902 1.00 0.00 O ATOM 296 CB SER A 84 -4.570 -8.683 0.655 1.00 0.00 C ATOM 297 OG SER A 84 -4.028 -9.957 0.347 1.00 0.00 O ATOM 0 H SER A 84 -5.405 -6.402 0.576 1.00 0.00 H new ATOM 0 HA SER A 84 -5.103 -8.379 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.763 -7.956 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.078 -8.725 1.619 1.00 0.00 H new ATOM 0 HG SER A 84 -3.403 -10.226 1.052 1.00 0.00 H new ATOM 303 N GLU A 85 -7.930 -8.462 0.104 1.00 0.00 N ATOM 304 CA GLU A 85 -9.193 -9.157 0.189 1.00 0.00 C ATOM 305 C GLU A 85 -9.957 -9.090 -1.136 1.00 0.00 C ATOM 306 O GLU A 85 -10.509 -10.089 -1.590 1.00 0.00 O ATOM 307 CB GLU A 85 -10.047 -8.554 1.281 1.00 0.00 C ATOM 308 CG GLU A 85 -9.403 -8.549 2.653 1.00 0.00 C ATOM 309 CD GLU A 85 -9.132 -9.934 3.188 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.092 -10.712 3.372 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.950 -10.281 3.436 1.00 0.00 O ATOM 0 H GLU A 85 -7.944 -7.508 0.465 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.979 -10.201 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.295 -7.529 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.986 -9.105 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.465 -7.995 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.052 -8.018 3.350 1.00 0.00 H new ATOM 318 N ASP A 86 -9.958 -7.925 -1.770 1.00 0.00 N ATOM 319 CA ASP A 86 -10.777 -7.720 -2.988 1.00 0.00 C ATOM 320 C ASP A 86 -9.918 -7.745 -4.248 1.00 0.00 C ATOM 321 O ASP A 86 -10.409 -7.947 -5.351 1.00 0.00 O ATOM 322 CB ASP A 86 -11.517 -6.384 -2.880 1.00 0.00 C ATOM 323 CG ASP A 86 -12.581 -6.172 -3.926 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.673 -6.764 -3.798 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.379 -5.359 -4.844 1.00 0.00 O ATOM 0 H ASP A 86 -9.416 -7.112 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.496 -8.536 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.976 -6.316 -1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.791 -5.574 -2.950 1.00 0.00 H new ATOM 330 N GLY A 87 -8.631 -7.548 -4.066 1.00 0.00 N ATOM 331 CA GLY A 87 -7.688 -7.580 -5.165 1.00 0.00 C ATOM 332 C GLY A 87 -7.660 -6.293 -5.962 1.00 0.00 C ATOM 333 O GLY A 87 -7.093 -6.242 -7.050 1.00 0.00 O ATOM 0 H GLY A 87 -8.209 -7.362 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.690 -7.780 -4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.941 -8.406 -5.829 1.00 0.00 H new ATOM 337 N GLN A 88 -8.288 -5.267 -5.446 1.00 0.00 N ATOM 338 CA GLN A 88 -8.341 -3.991 -6.128 1.00 0.00 C ATOM 339 C GLN A 88 -7.613 -2.928 -5.349 1.00 0.00 C ATOM 340 O GLN A 88 -7.301 -3.125 -4.175 1.00 0.00 O ATOM 341 CB GLN A 88 -9.772 -3.578 -6.419 1.00 0.00 C ATOM 342 CG GLN A 88 -10.472 -4.463 -7.431 1.00 0.00 C ATOM 343 CD GLN A 88 -9.866 -4.394 -8.815 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.265 -3.574 -9.626 1.00 0.00 O ATOM 345 NE2 GLN A 88 -8.917 -5.234 -9.103 1.00 0.00 N ATOM 0 H GLN A 88 -8.774 -5.287 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.833 -4.107 -7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.339 -3.588 -5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.776 -2.551 -6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.442 -5.495 -7.081 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.522 -4.176 -7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.604 -5.908 -8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.485 -5.219 -10.027 1.00 0.00 H new ATOM 354 N CYS A 89 -7.376 -1.813 -5.970 1.00 0.00 N ATOM 355 CA CYS A 89 -6.634 -0.739 -5.348 1.00 0.00 C ATOM 356 C CYS A 89 -7.564 0.290 -4.708 1.00 0.00 C ATOM 357 O CYS A 89 -8.569 0.695 -5.303 1.00 0.00 O ATOM 358 CB CYS A 89 -5.697 -0.091 -6.368 1.00 0.00 C ATOM 359 SG CYS A 89 -6.532 0.531 -7.844 1.00 0.00 S ATOM 0 H CYS A 89 -7.687 -1.614 -6.921 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.030 -1.160 -4.544 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.169 0.733 -5.888 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.945 -0.820 -6.669 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.756 0.852 -7.547 1.00 0.00 H new ATOM 365 N TYR A 90 -7.233 0.672 -3.489 1.00 0.00 N ATOM 366 CA TYR A 90 -7.996 1.624 -2.687 1.00 0.00 C ATOM 367 C TYR A 90 -7.011 2.550 -2.007 1.00 0.00 C ATOM 368 O TYR A 90 -5.846 2.183 -1.853 1.00 0.00 O ATOM 369 CB TYR A 90 -8.817 0.886 -1.619 1.00 0.00 C ATOM 370 CG TYR A 90 -9.876 -0.062 -2.170 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.528 -1.315 -2.657 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.216 0.297 -2.195 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.467 -2.176 -3.159 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.172 -0.567 -2.693 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.788 -1.802 -3.178 1.00 0.00 C ATOM 376 OH TYR A 90 -12.735 -2.666 -3.689 1.00 0.00 O ATOM 0 H TYR A 90 -6.403 0.321 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.681 2.182 -3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.136 0.319 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.305 1.624 -0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.491 -1.618 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.516 1.265 -1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.170 -3.143 -3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.213 -0.279 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.296 -3.483 -4.006 1.00 0.00 H new ATOM 386 N GLU A 91 -7.445 3.728 -1.607 1.00 0.00 N ATOM 387 CA GLU A 91 -6.540 4.679 -0.996 1.00 0.00 C ATOM 388 C GLU A 91 -6.254 4.290 0.454 1.00 0.00 C ATOM 389 O GLU A 91 -7.163 4.019 1.240 1.00 0.00 O ATOM 390 CB GLU A 91 -7.076 6.111 -1.093 1.00 0.00 C ATOM 391 CG GLU A 91 -6.081 7.170 -0.626 1.00 0.00 C ATOM 392 CD GLU A 91 -6.574 8.582 -0.815 1.00 0.00 C ATOM 393 OE1 GLU A 91 -6.860 8.980 -1.963 1.00 0.00 O ATOM 394 OE2 GLU A 91 -6.688 9.330 0.181 1.00 0.00 O ATOM 0 H GLU A 91 -8.410 4.048 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.601 4.651 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.354 6.317 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.985 6.191 -0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.859 7.009 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.146 7.044 -1.171 1.00 0.00 H new ATOM 401 N ALA A 92 -5.001 4.248 0.780 1.00 0.00 N ATOM 402 CA ALA A 92 -4.537 3.870 2.085 1.00 0.00 C ATOM 403 C ALA A 92 -3.352 4.720 2.480 1.00 0.00 C ATOM 404 O ALA A 92 -2.517 5.047 1.646 1.00 0.00 O ATOM 405 CB ALA A 92 -4.139 2.424 2.069 1.00 0.00 C ATOM 0 H ALA A 92 -4.249 4.481 0.131 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.337 4.022 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.786 2.133 3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.999 1.813 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.342 2.274 1.341 1.00 0.00 H new ATOM 411 N GLU A 93 -3.262 5.057 3.732 1.00 0.00 N ATOM 412 CA GLU A 93 -2.200 5.897 4.205 1.00 0.00 C ATOM 413 C GLU A 93 -1.132 5.055 4.872 1.00 0.00 C ATOM 414 O GLU A 93 -1.436 4.128 5.628 1.00 0.00 O ATOM 415 CB GLU A 93 -2.736 6.978 5.140 1.00 0.00 C ATOM 416 CG GLU A 93 -1.704 8.018 5.554 1.00 0.00 C ATOM 417 CD GLU A 93 -2.306 9.106 6.394 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.938 10.023 5.845 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.196 9.056 7.622 1.00 0.00 O ATOM 0 H GLU A 93 -3.919 4.759 4.453 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.746 6.406 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.569 7.484 4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.134 6.502 6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.903 7.532 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.253 8.456 4.663 1.00 0.00 H new ATOM 426 N ILE A 94 0.094 5.342 4.541 1.00 0.00 N ATOM 427 CA ILE A 94 1.245 4.634 5.052 1.00 0.00 C ATOM 428 C ILE A 94 1.551 5.025 6.492 1.00 0.00 C ATOM 429 O ILE A 94 1.785 6.205 6.804 1.00 0.00 O ATOM 430 CB ILE A 94 2.473 4.910 4.172 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.154 4.494 2.749 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.678 4.124 4.692 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.145 4.974 1.743 1.00 0.00 C ATOM 0 H ILE A 94 0.333 6.092 3.893 1.00 0.00 H new ATOM 0 HA ILE A 94 1.011 3.570 5.031 1.00 0.00 H new ATOM 0 HB ILE A 94 2.717 5.972 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.101 3.406 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.167 4.873 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.544 4.326 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.896 4.427 5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.454 3.058 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.848 4.636 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.182 6.063 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.130 4.574 1.983 1.00 0.00 H new ATOM 445 N GLU A 95 1.565 4.032 7.342 1.00 0.00 N ATOM 446 CA GLU A 95 1.834 4.196 8.755 1.00 0.00 C ATOM 447 C GLU A 95 3.289 3.883 9.065 1.00 0.00 C ATOM 448 O GLU A 95 3.905 4.504 9.933 1.00 0.00 O ATOM 449 CB GLU A 95 0.940 3.254 9.536 1.00 0.00 C ATOM 450 CG GLU A 95 -0.533 3.554 9.394 1.00 0.00 C ATOM 451 CD GLU A 95 -0.954 4.797 10.139 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.244 4.702 11.359 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.013 5.888 9.537 1.00 0.00 O ATOM 0 H GLU A 95 1.387 3.065 7.070 1.00 0.00 H new ATOM 0 HA GLU A 95 1.635 5.230 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.127 2.232 9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.211 3.302 10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.775 3.670 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.109 2.704 9.761 1.00 0.00 H new ATOM 460 N GLU A 96 3.834 2.928 8.351 1.00 0.00 N ATOM 461 CA GLU A 96 5.193 2.480 8.585 1.00 0.00 C ATOM 462 C GLU A 96 5.720 1.823 7.328 1.00 0.00 C ATOM 463 O GLU A 96 4.943 1.301 6.536 1.00 0.00 O ATOM 464 CB GLU A 96 5.197 1.477 9.747 1.00 0.00 C ATOM 465 CG GLU A 96 6.567 1.002 10.180 1.00 0.00 C ATOM 466 CD GLU A 96 6.494 -0.059 11.239 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.213 0.263 12.410 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.731 -1.250 10.913 1.00 0.00 O ATOM 0 H GLU A 96 3.355 2.439 7.595 1.00 0.00 H new ATOM 0 HA GLU A 96 5.830 3.326 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.701 1.934 10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.603 0.610 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.104 0.613 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.141 1.849 10.556 1.00 0.00 H new ATOM 475 N ILE A 97 7.009 1.876 7.138 1.00 0.00 N ATOM 476 CA ILE A 97 7.668 1.284 6.000 1.00 0.00 C ATOM 477 C ILE A 97 8.738 0.317 6.502 1.00 0.00 C ATOM 478 O ILE A 97 9.289 0.493 7.591 1.00 0.00 O ATOM 479 CB ILE A 97 8.322 2.402 5.135 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.249 3.366 4.665 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.069 1.829 3.922 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.782 4.706 4.342 1.00 0.00 C ATOM 0 H ILE A 97 7.648 2.342 7.783 1.00 0.00 H new ATOM 0 HA ILE A 97 6.945 0.745 5.387 1.00 0.00 H new ATOM 0 HB ILE A 97 9.052 2.921 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.758 2.954 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.488 3.460 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.509 2.644 3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.858 1.159 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.371 1.277 3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.968 5.351 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.249 5.135 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.523 4.621 3.547 1.00 0.00 H new ATOM 494 N ASP A 98 8.958 -0.719 5.761 1.00 0.00 N ATOM 495 CA ASP A 98 9.993 -1.677 6.030 1.00 0.00 C ATOM 496 C ASP A 98 10.879 -1.721 4.802 1.00 0.00 C ATOM 497 O ASP A 98 10.525 -2.332 3.799 1.00 0.00 O ATOM 498 CB ASP A 98 9.387 -3.064 6.300 1.00 0.00 C ATOM 499 CG ASP A 98 10.420 -4.109 6.670 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.146 -4.582 5.789 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.516 -4.479 7.875 1.00 0.00 O ATOM 0 H ASP A 98 8.410 -0.933 4.927 1.00 0.00 H new ATOM 0 HA ASP A 98 10.563 -1.393 6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.658 -2.983 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.847 -3.395 5.413 1.00 0.00 H new ATOM 506 N GLU A 99 11.984 -1.002 4.849 1.00 0.00 N ATOM 507 CA GLU A 99 12.912 -0.908 3.712 1.00 0.00 C ATOM 508 C GLU A 99 13.573 -2.238 3.382 1.00 0.00 C ATOM 509 O GLU A 99 14.016 -2.456 2.246 1.00 0.00 O ATOM 510 CB GLU A 99 14.003 0.117 3.970 1.00 0.00 C ATOM 511 CG GLU A 99 13.534 1.555 4.076 1.00 0.00 C ATOM 512 CD GLU A 99 14.690 2.506 4.269 1.00 0.00 C ATOM 513 OE1 GLU A 99 15.416 2.785 3.298 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.908 2.976 5.388 1.00 0.00 O ATOM 0 H GLU A 99 12.273 -0.465 5.667 1.00 0.00 H new ATOM 0 HA GLU A 99 12.302 -0.600 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.516 -0.149 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.737 0.051 3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.986 1.827 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.840 1.651 4.911 1.00 0.00 H new ATOM 521 N GLU A 100 13.626 -3.117 4.359 1.00 0.00 N ATOM 522 CA GLU A 100 14.294 -4.390 4.222 1.00 0.00 C ATOM 523 C GLU A 100 13.520 -5.263 3.211 1.00 0.00 C ATOM 524 O GLU A 100 14.112 -5.901 2.354 1.00 0.00 O ATOM 525 CB GLU A 100 14.364 -5.049 5.611 1.00 0.00 C ATOM 526 CG GLU A 100 15.525 -6.021 5.853 1.00 0.00 C ATOM 527 CD GLU A 100 15.505 -7.247 4.987 1.00 0.00 C ATOM 528 OE1 GLU A 100 14.683 -8.151 5.246 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.324 -7.334 4.038 1.00 0.00 O ATOM 0 H GLU A 100 13.204 -2.966 5.275 1.00 0.00 H new ATOM 0 HA GLU A 100 15.309 -4.266 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.419 -4.259 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.430 -5.585 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.464 -5.492 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.511 -6.330 6.898 1.00 0.00 H new ATOM 536 N ASN A 101 12.207 -5.251 3.300 1.00 0.00 N ATOM 537 CA ASN A 101 11.377 -6.019 2.357 1.00 0.00 C ATOM 538 C ASN A 101 10.845 -5.130 1.265 1.00 0.00 C ATOM 539 O ASN A 101 10.357 -5.613 0.226 1.00 0.00 O ATOM 540 CB ASN A 101 10.172 -6.644 3.062 1.00 0.00 C ATOM 541 CG ASN A 101 10.525 -7.650 4.118 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.607 -8.850 3.858 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.749 -7.189 5.295 1.00 0.00 N ATOM 0 H ASN A 101 11.683 -4.729 4.002 1.00 0.00 H new ATOM 0 HA ASN A 101 12.016 -6.798 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.581 -5.850 3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.539 -7.125 2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.004 -7.824 6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.672 -6.188 5.474 1.00 0.00 H new ATOM 550 N GLY A 102 10.944 -3.838 1.477 1.00 0.00 N ATOM 551 CA GLY A 102 10.347 -2.905 0.570 1.00 0.00 C ATOM 552 C GLY A 102 8.845 -2.944 0.725 1.00 0.00 C ATOM 553 O GLY A 102 8.099 -2.844 -0.252 1.00 0.00 O ATOM 0 H GLY A 102 11.432 -3.417 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.718 -1.900 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.624 -3.150 -0.455 1.00 0.00 H new ATOM 557 N THR A 103 8.399 -3.127 1.947 1.00 0.00 N ATOM 558 CA THR A 103 6.998 -3.209 2.248 1.00 0.00 C ATOM 559 C THR A 103 6.555 -2.033 3.099 1.00 0.00 C ATOM 560 O THR A 103 7.383 -1.322 3.669 1.00 0.00 O ATOM 561 CB THR A 103 6.669 -4.546 2.949 1.00 0.00 C ATOM 562 OG1 THR A 103 7.597 -4.766 4.018 1.00 0.00 O ATOM 563 CG2 THR A 103 6.731 -5.714 1.975 1.00 0.00 C ATOM 0 H THR A 103 9.006 -3.223 2.761 1.00 0.00 H new ATOM 0 HA THR A 103 6.448 -3.170 1.308 1.00 0.00 H new ATOM 0 HB THR A 103 5.654 -4.483 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.387 -5.613 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.494 -6.639 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.010 -5.558 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.734 -5.783 1.553 1.00 0.00 H new ATOM 571 N ALA A 104 5.274 -1.793 3.139 1.00 0.00 N ATOM 572 CA ALA A 104 4.730 -0.745 3.938 1.00 0.00 C ATOM 573 C ALA A 104 3.473 -1.205 4.609 1.00 0.00 C ATOM 574 O ALA A 104 2.716 -2.015 4.062 1.00 0.00 O ATOM 575 CB ALA A 104 4.440 0.479 3.101 1.00 0.00 C ATOM 0 H ALA A 104 4.580 -2.325 2.614 1.00 0.00 H new ATOM 0 HA ALA A 104 5.468 -0.481 4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.026 1.263 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.363 0.833 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.721 0.225 2.322 1.00 0.00 H new ATOM 581 N ALA A 105 3.274 -0.720 5.784 1.00 0.00 N ATOM 582 CA ALA A 105 2.097 -0.980 6.532 1.00 0.00 C ATOM 583 C ALA A 105 1.177 0.180 6.299 1.00 0.00 C ATOM 584 O ALA A 105 1.534 1.344 6.571 1.00 0.00 O ATOM 585 CB ALA A 105 2.437 -1.125 7.985 1.00 0.00 C ATOM 0 H ALA A 105 3.943 -0.116 6.263 1.00 0.00 H new ATOM 0 HA ALA A 105 1.619 -1.909 6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.528 -1.324 8.553 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.135 -1.952 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.895 -0.204 8.345 1.00 0.00 H new ATOM 591 N ILE A 106 0.037 -0.104 5.778 1.00 0.00 N ATOM 592 CA ILE A 106 -0.865 0.919 5.342 1.00 0.00 C ATOM 593 C ILE A 106 -2.226 0.758 5.980 1.00 0.00 C ATOM 594 O ILE A 106 -2.634 -0.349 6.302 1.00 0.00 O ATOM 595 CB ILE A 106 -0.994 0.884 3.783 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.454 -0.503 3.290 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.297 1.281 3.101 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.912 -0.583 3.010 1.00 0.00 C ATOM 0 H ILE A 106 -0.305 -1.055 5.638 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.462 1.883 5.651 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.754 1.617 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.904 -0.758 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.195 -1.250 4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.164 1.243 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.569 2.294 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.090 0.592 3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.162 -1.587 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.470 -0.360 3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.174 0.140 2.237 1.00 0.00 H new ATOM 610 N THR A 107 -2.899 1.849 6.172 1.00 0.00 N ATOM 611 CA THR A 107 -4.227 1.852 6.702 1.00 0.00 C ATOM 612 C THR A 107 -5.174 2.439 5.657 1.00 0.00 C ATOM 613 O THR A 107 -4.974 3.555 5.194 1.00 0.00 O ATOM 614 CB THR A 107 -4.285 2.672 8.005 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.336 2.129 8.934 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.676 2.626 8.625 1.00 0.00 C ATOM 0 H THR A 107 -2.535 2.778 5.961 1.00 0.00 H new ATOM 0 HA THR A 107 -4.530 0.831 6.935 1.00 0.00 H new ATOM 0 HB THR A 107 -4.049 3.711 7.775 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.362 2.644 9.767 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.685 3.214 9.543 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.401 3.038 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.939 1.593 8.853 1.00 0.00 H new ATOM 624 N PHE A 108 -6.176 1.675 5.286 1.00 0.00 N ATOM 625 CA PHE A 108 -7.129 2.076 4.273 1.00 0.00 C ATOM 626 C PHE A 108 -7.965 3.240 4.724 1.00 0.00 C ATOM 627 O PHE A 108 -8.573 3.202 5.806 1.00 0.00 O ATOM 628 CB PHE A 108 -8.004 0.907 3.838 1.00 0.00 C ATOM 629 CG PHE A 108 -7.250 -0.106 3.040 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.984 0.144 1.708 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.796 -1.292 3.611 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.278 -0.755 0.944 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.088 -2.204 2.849 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.826 -1.933 1.511 1.00 0.00 C ATOM 0 H PHE A 108 -6.355 0.752 5.680 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.556 2.403 3.406 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.429 0.427 4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.839 1.283 3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.336 1.061 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.997 -1.500 4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -6.077 -0.542 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.739 -3.125 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.270 -2.641 0.915 1.00 0.00 H new ATOM 644 N ALA A 109 -8.001 4.254 3.895 1.00 0.00 N ATOM 645 CA ALA A 109 -8.704 5.472 4.180 1.00 0.00 C ATOM 646 C ALA A 109 -10.192 5.229 4.103 1.00 0.00 C ATOM 647 O ALA A 109 -10.674 4.519 3.210 1.00 0.00 O ATOM 648 CB ALA A 109 -8.282 6.562 3.202 1.00 0.00 C ATOM 0 H ALA A 109 -7.533 4.252 2.989 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.457 5.805 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.822 7.482 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.210 6.738 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.512 6.247 2.184 1.00 0.00 H new ATOM 654 N GLY A 110 -10.906 5.743 5.060 1.00 0.00 N ATOM 655 CA GLY A 110 -12.336 5.599 5.083 1.00 0.00 C ATOM 656 C GLY A 110 -12.789 4.327 5.753 1.00 0.00 C ATOM 657 O GLY A 110 -13.670 4.356 6.598 1.00 0.00 O ATOM 0 H GLY A 110 -10.520 6.271 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.773 6.452 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.714 5.619 4.061 1.00 0.00 H new ATOM 661 N TYR A 111 -12.198 3.219 5.377 1.00 0.00 N ATOM 662 CA TYR A 111 -12.575 1.940 5.925 1.00 0.00 C ATOM 663 C TYR A 111 -11.897 1.690 7.273 1.00 0.00 C ATOM 664 O TYR A 111 -12.548 1.306 8.230 1.00 0.00 O ATOM 665 CB TYR A 111 -12.214 0.839 4.968 1.00 0.00 C ATOM 666 CG TYR A 111 -12.702 1.039 3.554 1.00 0.00 C ATOM 667 CD1 TYR A 111 -14.011 0.761 3.195 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.829 1.475 2.570 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.435 0.912 1.889 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.237 1.630 1.271 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.545 1.343 0.932 1.00 0.00 C ATOM 672 OH TYR A 111 -13.968 1.496 -0.370 1.00 0.00 O ATOM 0 H TYR A 111 -11.447 3.178 4.687 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.654 1.950 6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.129 0.734 4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.619 -0.099 5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.709 0.422 3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.805 1.697 2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.458 0.693 1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.542 1.973 0.519 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.286 1.144 -0.979 1.00 0.00 H new ATOM 682 N GLY A 112 -10.590 1.883 7.339 1.00 0.00 N ATOM 683 CA GLY A 112 -9.893 1.712 8.603 1.00 0.00 C ATOM 684 C GLY A 112 -9.200 0.358 8.789 1.00 0.00 C ATOM 685 O GLY A 112 -8.958 -0.061 9.923 1.00 0.00 O ATOM 0 H GLY A 112 -10.001 2.152 6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.146 2.500 8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.607 1.851 9.415 1.00 0.00 H new ATOM 689 N ASN A 113 -8.884 -0.344 7.712 1.00 0.00 N ATOM 690 CA ASN A 113 -8.121 -1.598 7.864 1.00 0.00 C ATOM 691 C ASN A 113 -6.674 -1.328 7.637 1.00 0.00 C ATOM 692 O ASN A 113 -6.324 -0.293 7.099 1.00 0.00 O ATOM 693 CB ASN A 113 -8.547 -2.736 6.929 1.00 0.00 C ATOM 694 CG ASN A 113 -9.929 -3.272 7.176 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.473 -3.161 8.270 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.454 -3.933 6.196 1.00 0.00 N ATOM 0 H ASN A 113 -9.127 -0.091 6.754 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.328 -1.937 8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.488 -2.382 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.833 -3.554 7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.358 -4.390 6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.964 -3.998 5.304 1.00 0.00 H new ATOM 703 N ALA A 114 -5.842 -2.258 7.990 1.00 0.00 N ATOM 704 CA ALA A 114 -4.422 -2.096 7.852 1.00 0.00 C ATOM 705 C ALA A 114 -3.807 -3.377 7.364 1.00 0.00 C ATOM 706 O ALA A 114 -4.138 -4.460 7.871 1.00 0.00 O ATOM 707 CB ALA A 114 -3.798 -1.685 9.180 1.00 0.00 C ATOM 0 H ALA A 114 -6.126 -3.155 8.384 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.229 -1.308 7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.722 -1.567 9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.231 -0.740 9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.995 -2.453 9.928 1.00 0.00 H new ATOM 713 N GLU A 115 -2.947 -3.277 6.383 1.00 0.00 N ATOM 714 CA GLU A 115 -2.255 -4.428 5.875 1.00 0.00 C ATOM 715 C GLU A 115 -0.843 -4.044 5.510 1.00 0.00 C ATOM 716 O GLU A 115 -0.541 -2.852 5.360 1.00 0.00 O ATOM 717 CB GLU A 115 -2.973 -5.091 4.674 1.00 0.00 C ATOM 718 CG GLU A 115 -2.889 -4.405 3.323 1.00 0.00 C ATOM 719 CD GLU A 115 -3.356 -5.350 2.225 1.00 0.00 C ATOM 720 OE1 GLU A 115 -2.525 -6.137 1.716 1.00 0.00 O ATOM 721 OE2 GLU A 115 -4.565 -5.370 1.898 1.00 0.00 O ATOM 0 H GLU A 115 -2.709 -2.401 5.918 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.244 -5.177 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.573 -6.099 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.027 -5.193 4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.504 -3.505 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.864 -4.090 3.130 1.00 0.00 H new ATOM 728 N VAL A 116 0.019 -5.018 5.419 1.00 0.00 N ATOM 729 CA VAL A 116 1.372 -4.789 5.009 1.00 0.00 C ATOM 730 C VAL A 116 1.499 -5.245 3.577 1.00 0.00 C ATOM 731 O VAL A 116 1.330 -6.431 3.266 1.00 0.00 O ATOM 732 CB VAL A 116 2.395 -5.530 5.901 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.821 -5.194 5.483 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.181 -5.180 7.356 1.00 0.00 C ATOM 0 H VAL A 116 -0.199 -5.992 5.628 1.00 0.00 H new ATOM 0 HA VAL A 116 1.596 -3.727 5.106 1.00 0.00 H new ATOM 0 HB VAL A 116 2.242 -6.602 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.523 -5.727 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.977 -5.494 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.985 -4.121 5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.910 -5.711 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.304 -4.106 7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.174 -5.471 7.656 1.00 0.00 H new ATOM 744 N THR A 117 1.769 -4.327 2.727 1.00 0.00 N ATOM 745 CA THR A 117 1.818 -4.584 1.320 1.00 0.00 C ATOM 746 C THR A 117 3.101 -3.966 0.744 1.00 0.00 C ATOM 747 O THR A 117 3.562 -2.928 1.243 1.00 0.00 O ATOM 748 CB THR A 117 0.521 -4.056 0.608 1.00 0.00 C ATOM 749 OG1 THR A 117 0.469 -4.471 -0.769 1.00 0.00 O ATOM 750 CG2 THR A 117 0.421 -2.545 0.689 1.00 0.00 C ATOM 0 H THR A 117 1.966 -3.359 2.982 1.00 0.00 H new ATOM 0 HA THR A 117 1.847 -5.658 1.139 1.00 0.00 H new ATOM 0 HB THR A 117 -0.327 -4.492 1.136 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.350 -4.128 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.488 -2.213 0.187 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.391 -2.238 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.288 -2.096 0.204 1.00 0.00 H new ATOM 758 N PRO A 118 3.765 -4.642 -0.212 1.00 0.00 N ATOM 759 CA PRO A 118 4.996 -4.144 -0.809 1.00 0.00 C ATOM 760 C PRO A 118 4.792 -2.796 -1.492 1.00 0.00 C ATOM 761 O PRO A 118 3.721 -2.525 -2.035 1.00 0.00 O ATOM 762 CB PRO A 118 5.371 -5.216 -1.837 1.00 0.00 C ATOM 763 CG PRO A 118 4.115 -5.946 -2.100 1.00 0.00 C ATOM 764 CD PRO A 118 3.342 -5.913 -0.817 1.00 0.00 C ATOM 0 HA PRO A 118 5.771 -3.977 -0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.766 -4.768 -2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.142 -5.882 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.552 -5.476 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.317 -6.972 -2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.267 -5.939 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.581 -6.764 -0.179 1.00 0.00 H new ATOM 772 N LEU A 119 5.832 -1.970 -1.485 1.00 0.00 N ATOM 773 CA LEU A 119 5.809 -0.630 -2.091 1.00 0.00 C ATOM 774 C LEU A 119 5.465 -0.707 -3.568 1.00 0.00 C ATOM 775 O LEU A 119 4.951 0.237 -4.143 1.00 0.00 O ATOM 776 CB LEU A 119 7.157 0.075 -1.916 1.00 0.00 C ATOM 777 CG LEU A 119 7.684 0.240 -0.484 1.00 0.00 C ATOM 778 CD1 LEU A 119 8.988 1.015 -0.472 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.667 0.901 0.422 1.00 0.00 C ATOM 0 H LEU A 119 6.727 -2.207 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 119 5.039 -0.054 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.903 -0.476 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.080 1.066 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 119 7.869 -0.761 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.340 1.118 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.734 0.481 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.828 2.004 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.082 0.998 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.422 1.890 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.764 0.292 0.460 1.00 0.00 H new ATOM 791 N LEU A 120 5.769 -1.851 -4.164 1.00 0.00 N ATOM 792 CA LEU A 120 5.491 -2.114 -5.572 1.00 0.00 C ATOM 793 C LEU A 120 3.973 -2.139 -5.817 1.00 0.00 C ATOM 794 O LEU A 120 3.493 -1.796 -6.899 1.00 0.00 O ATOM 795 CB LEU A 120 6.157 -3.449 -5.984 1.00 0.00 C ATOM 796 CG LEU A 120 5.459 -4.755 -5.582 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.500 -5.192 -6.672 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.473 -5.835 -5.286 1.00 0.00 C ATOM 0 H LEU A 120 6.219 -2.629 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 120 5.909 -1.317 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.265 -3.448 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.163 -3.464 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 120 4.886 -4.579 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.011 -6.120 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.748 -4.418 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.051 -5.353 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.956 -6.752 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.078 -6.019 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.117 -5.515 -4.467 1.00 0.00 H new ATOM 810 N ASN A 121 3.239 -2.527 -4.790 1.00 0.00 N ATOM 811 CA ASN A 121 1.790 -2.630 -4.852 1.00 0.00 C ATOM 812 C ASN A 121 1.139 -1.330 -4.489 1.00 0.00 C ATOM 813 O ASN A 121 -0.076 -1.178 -4.626 1.00 0.00 O ATOM 814 CB ASN A 121 1.254 -3.751 -3.948 1.00 0.00 C ATOM 815 CG ASN A 121 1.346 -5.131 -4.549 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.327 -5.307 -5.766 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.375 -6.115 -3.713 1.00 0.00 N ATOM 0 H ASN A 121 3.632 -2.781 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 121 1.538 -2.877 -5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.806 -3.739 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.212 -3.541 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.383 -7.076 -4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.390 -5.932 -2.710 1.00 0.00 H new ATOM 824 N LEU A 122 1.929 -0.391 -4.027 1.00 0.00 N ATOM 825 CA LEU A 122 1.409 0.892 -3.691 1.00 0.00 C ATOM 826 C LEU A 122 1.480 1.767 -4.895 1.00 0.00 C ATOM 827 O LEU A 122 2.507 1.861 -5.552 1.00 0.00 O ATOM 828 CB LEU A 122 2.178 1.515 -2.543 1.00 0.00 C ATOM 829 CG LEU A 122 2.120 0.787 -1.220 1.00 0.00 C ATOM 830 CD1 LEU A 122 2.912 1.547 -0.176 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.685 0.622 -0.781 1.00 0.00 C ATOM 0 H LEU A 122 2.932 -0.501 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 122 0.374 0.782 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.223 1.601 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.805 2.528 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 122 2.561 -0.203 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.865 1.016 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.951 1.628 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.491 2.545 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.655 0.096 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.223 1.603 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.139 0.047 -1.529 1.00 0.00 H new ATOM 843 N LYS A 123 0.396 2.386 -5.188 1.00 0.00 N ATOM 844 CA LYS A 123 0.284 3.212 -6.349 1.00 0.00 C ATOM 845 C LYS A 123 0.058 4.637 -5.923 1.00 0.00 C ATOM 846 O LYS A 123 -0.421 4.880 -4.805 1.00 0.00 O ATOM 847 CB LYS A 123 -0.880 2.733 -7.237 1.00 0.00 C ATOM 848 CG LYS A 123 -0.909 1.238 -7.480 1.00 0.00 C ATOM 849 CD LYS A 123 0.371 0.715 -8.123 1.00 0.00 C ATOM 850 CE LYS A 123 0.320 -0.796 -8.246 1.00 0.00 C ATOM 851 NZ LYS A 123 1.568 -1.363 -8.810 1.00 0.00 N ATOM 0 H LYS A 123 -0.454 2.337 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 123 1.206 3.147 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.821 3.032 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.821 3.244 -8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.069 0.724 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.757 0.996 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.500 1.163 -9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.233 1.009 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.139 -1.231 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.521 -1.077 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.404 -2.350 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 1.858 -0.807 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 2.320 -1.330 -8.092 1.00 0.00 H new ATOM 865 N PRO A 124 0.384 5.596 -6.780 1.00 0.00 N ATOM 866 CA PRO A 124 0.113 6.983 -6.503 1.00 0.00 C ATOM 867 C PRO A 124 -1.389 7.217 -6.533 1.00 0.00 C ATOM 868 O PRO A 124 -2.108 6.615 -7.355 1.00 0.00 O ATOM 869 CB PRO A 124 0.810 7.762 -7.621 1.00 0.00 C ATOM 870 CG PRO A 124 1.269 6.756 -8.634 1.00 0.00 C ATOM 871 CD PRO A 124 1.015 5.380 -8.085 1.00 0.00 C ATOM 0 HA PRO A 124 0.471 7.295 -5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.128 8.481 -8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.655 8.328 -7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.735 6.894 -9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.330 6.889 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.365 4.806 -8.746 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.944 4.819 -7.985 1.00 0.00 H new ATOM 879 N VAL A 125 -1.870 8.036 -5.638 1.00 0.00 N ATOM 880 CA VAL A 125 -3.295 8.288 -5.534 1.00 0.00 C ATOM 881 C VAL A 125 -3.812 9.096 -6.685 1.00 0.00 C ATOM 882 O VAL A 125 -3.070 9.855 -7.316 1.00 0.00 O ATOM 883 CB VAL A 125 -3.679 8.981 -4.212 1.00 0.00 C ATOM 884 CG1 VAL A 125 -3.369 8.089 -3.043 1.00 0.00 C ATOM 885 CG2 VAL A 125 -2.976 10.322 -4.071 1.00 0.00 C ATOM 0 H VAL A 125 -1.299 8.546 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.763 7.304 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 125 -4.752 9.170 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.646 8.593 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -3.933 7.161 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.302 7.865 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.266 10.788 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -1.897 10.170 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -3.261 10.971 -4.899 1.00 0.00 H new ATOM 895 N GLU A 126 -5.051 8.901 -6.984 1.00 0.00 N ATOM 896 CA GLU A 126 -5.718 9.669 -7.971 1.00 0.00 C ATOM 897 C GLU A 126 -6.607 10.659 -7.310 1.00 0.00 C ATOM 898 O GLU A 126 -7.093 10.434 -6.194 1.00 0.00 O ATOM 899 CB GLU A 126 -6.480 8.800 -8.943 1.00 0.00 C ATOM 900 CG GLU A 126 -5.618 8.237 -10.040 1.00 0.00 C ATOM 901 CD GLU A 126 -5.113 9.323 -10.955 1.00 0.00 C ATOM 902 OE1 GLU A 126 -5.856 9.738 -11.857 1.00 0.00 O ATOM 903 OE2 GLU A 126 -3.987 9.810 -10.768 1.00 0.00 O ATOM 0 H GLU A 126 -5.635 8.192 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 126 -4.971 10.202 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -6.945 7.979 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -7.286 9.384 -9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -4.773 7.705 -9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -6.189 7.510 -10.617 1.00 0.00 H new ATOM 910 N GLU A 127 -6.808 11.739 -7.969 1.00 0.00 N ATOM 911 CA GLU A 127 -7.569 12.835 -7.427 1.00 0.00 C ATOM 912 C GLU A 127 -8.713 13.162 -8.370 1.00 0.00 C ATOM 913 O GLU A 127 -9.092 14.326 -8.543 1.00 0.00 O ATOM 914 CB GLU A 127 -6.646 14.052 -7.245 1.00 0.00 C ATOM 915 CG GLU A 127 -5.404 13.763 -6.402 1.00 0.00 C ATOM 916 CD GLU A 127 -4.555 14.982 -6.156 1.00 0.00 C ATOM 917 OE1 GLU A 127 -3.928 15.498 -7.098 1.00 0.00 O ATOM 918 OE2 GLU A 127 -4.505 15.462 -5.007 1.00 0.00 O ATOM 0 H GLU A 127 -6.451 11.903 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 127 -7.983 12.564 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.333 14.409 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -7.211 14.859 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -5.713 13.344 -5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.802 13.004 -6.902 1.00 0.00 H new ATOM 925 N GLY A 128 -9.283 12.140 -8.951 1.00 0.00 N ATOM 926 CA GLY A 128 -10.349 12.333 -9.884 1.00 0.00 C ATOM 927 C GLY A 128 -11.382 11.259 -9.755 1.00 0.00 C ATOM 928 O GLY A 128 -12.314 11.412 -8.955 1.00 0.00 O ATOM 929 OXT GLY A 128 -11.278 10.239 -10.450 1.00 0.00 O ATOM 0 H GLY A 128 -9.023 11.167 -8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.810 13.307 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.951 12.338 -10.899 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 N 2MR A1129 -17.839 -4.865 1.486 1.00 0.00 N HETATM 935 CA 2MR A1129 -16.954 -4.403 0.436 1.00 0.00 C HETATM 936 CB 2MR A1129 -15.618 -3.943 1.015 1.00 0.00 C HETATM 937 CG 2MR A1129 -15.709 -2.859 2.050 1.00 0.00 C HETATM 938 CD 2MR A1129 -14.367 -2.618 2.683 1.00 0.00 C HETATM 939 NE 2MR A1129 -13.366 -2.249 1.694 1.00 0.00 N HETATM 940 CZ 2MR A1129 -12.109 -2.009 1.963 1.00 0.00 C HETATM 941 NH1 2MR A1129 -11.692 -2.107 3.267 1.00 0.00 N HETATM 942 CQ1 2MR A1129 -10.371 -1.901 3.883 1.00 0.00 C HETATM 943 NH2 2MR A1129 -11.293 -1.697 0.926 1.00 0.00 N HETATM 944 CQ2 2MR A1129 -9.870 -1.378 0.884 1.00 0.00 C HETATM 945 C 2MR A1129 -16.727 -5.563 -0.494 1.00 0.00 C HETATM 946 O 2MR A1129 -17.053 -5.470 -1.680 1.00 0.00 O HETATM 947 OXT 2MR A1129 -16.270 -6.609 -0.024 1.00 0.00 O HETATM 0 HQ23 2MR A1129 -9.677 -0.495 1.493 1.00 0.00 H new HETATM 0 HQ22 2MR A1129 -9.297 -2.219 1.273 1.00 0.00 H new HETATM 0 HQ21 2MR A1129 -9.572 -1.181 -0.146 1.00 0.00 H new HETATM 0 HQ13 2MR A1129 -9.654 -2.597 3.448 1.00 0.00 H new HETATM 0 HQ12 2MR A1129 -10.040 -0.879 3.701 1.00 0.00 H new HETATM 0 HQ11 2MR A1129 -10.439 -2.074 4.957 1.00 0.00 H new HETATM 0 HH2 2MR A1129 -11.755 -1.683 0.017 1.00 0.00 H new HETATM 0 HG3 2MR A1129 -16.071 -1.939 1.590 1.00 0.00 H new HETATM 0 HG2 2MR A1129 -16.433 -3.139 2.815 1.00 0.00 H new HETATM 0 HE 2MR A1129 -13.666 -2.172 0.722 1.00 0.00 H new HETATM 0 HD3 2MR A1129 -14.452 -1.827 3.428 1.00 0.00 H new HETATM 0 HD2 2MR A1129 -14.046 -3.517 3.209 1.00 0.00 H new HETATM 0 HB3 2MR A1129 -15.116 -4.804 1.457 1.00 0.00 H new HETATM 0 HB2 2MR A1129 -14.988 -3.591 0.198 1.00 0.00 H new HETATM 0 HA 2MR A1129 -17.400 -3.556 -0.085 1.00 0.00 H new HETATM 0 H2 2MR A1129 -18.772 -5.205 1.254 1.00 0.00 H new HETATM 0 H 2MR A1129 -17.529 -4.850 2.458 1.00 0.00 H new