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 80 MET CE :methyl 155:sc= -0.183 (180deg=-0.787) USER MOD Set 1.2: A 89 CYS SG : rot 180:sc= 0.00935 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=-0.00119 K(o=-0.0012,f=-0.85) USER MOD Single : A 70 THR OG1 : rot -46:sc= 0.432 USER MOD Single : A 71 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.6!) 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+ -173:sc= 1.25 (180deg=1.14) USER MOD Single : A 79 CYS SG : rot -16:sc= -1.33! USER MOD Single : A 84 SER OG : rot 73:sc= 0.9 USER MOD Single : A 88 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.094) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.17 K(o=1.2,f=-0.19) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 111 TYR OH : rot -121:sc= 0.595 USER MOD Single : A 113 ASN : amide:sc= -2.48! X(o=-2.5!,f=-2.6) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 121 ASN : amide:sc= -1.2 K(o=-1.2,f=-1.9!) USER MOD Single : A 123 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 16.424 -6.680 1.779 1.00 0.00 N ATOM 2 CA ALA A 65 16.511 -8.079 1.414 1.00 0.00 C ATOM 3 C ALA A 65 15.777 -8.288 0.114 1.00 0.00 C ATOM 4 O ALA A 65 14.779 -7.597 -0.149 1.00 0.00 O ATOM 5 CB ALA A 65 15.908 -8.940 2.505 1.00 0.00 C ATOM 0 HA ALA A 65 17.556 -8.365 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.978 -9.990 2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.450 -8.779 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.861 -8.671 2.644 1.00 0.00 H new ATOM 13 N SER A 66 16.266 -9.224 -0.699 1.00 0.00 N ATOM 14 CA SER A 66 15.690 -9.570 -1.996 1.00 0.00 C ATOM 15 C SER A 66 15.878 -8.436 -3.025 1.00 0.00 C ATOM 16 O SER A 66 16.772 -8.502 -3.871 1.00 0.00 O ATOM 17 CB SER A 66 14.213 -9.996 -1.852 1.00 0.00 C ATOM 18 OG SER A 66 14.089 -11.042 -0.884 1.00 0.00 O ATOM 0 H SER A 66 17.093 -9.775 -0.468 1.00 0.00 H new ATOM 0 HA SER A 66 16.235 -10.431 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.608 -9.140 -1.552 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.830 -10.335 -2.815 1.00 0.00 H new ATOM 0 HG SER A 66 13.148 -11.301 -0.801 1.00 0.00 H new ATOM 24 N THR A 67 15.074 -7.400 -2.916 1.00 0.00 N ATOM 25 CA THR A 67 15.114 -6.266 -3.794 1.00 0.00 C ATOM 26 C THR A 67 14.101 -5.239 -3.287 1.00 0.00 C ATOM 27 O THR A 67 12.989 -5.604 -2.846 1.00 0.00 O ATOM 28 CB THR A 67 14.827 -6.670 -5.292 1.00 0.00 C ATOM 29 OG1 THR A 67 14.899 -5.533 -6.173 1.00 0.00 O ATOM 30 CG2 THR A 67 13.474 -7.345 -5.446 1.00 0.00 C ATOM 0 H THR A 67 14.358 -7.328 -2.193 1.00 0.00 H new ATOM 0 HA THR A 67 16.115 -5.836 -3.787 1.00 0.00 H new ATOM 0 HB THR A 67 15.605 -7.381 -5.571 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.718 -5.820 -7.092 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.315 -7.607 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.447 -8.249 -4.837 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.688 -6.664 -5.119 1.00 0.00 H new ATOM 38 N GLN A 68 14.490 -3.991 -3.280 1.00 0.00 N ATOM 39 CA GLN A 68 13.618 -2.942 -2.834 1.00 0.00 C ATOM 40 C GLN A 68 12.998 -2.271 -4.039 1.00 0.00 C ATOM 41 O GLN A 68 13.710 -1.966 -5.009 1.00 0.00 O ATOM 42 CB GLN A 68 14.377 -1.898 -2.015 1.00 0.00 C ATOM 43 CG GLN A 68 15.081 -2.446 -0.790 1.00 0.00 C ATOM 44 CD GLN A 68 15.729 -1.354 0.035 1.00 0.00 C ATOM 45 OE1 GLN A 68 15.251 -0.222 0.079 1.00 0.00 O ATOM 46 NE2 GLN A 68 16.816 -1.673 0.679 1.00 0.00 N ATOM 0 H GLN A 68 15.413 -3.677 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 68 12.848 -3.381 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.115 -1.418 -2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.677 -1.124 -1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.364 -2.988 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.841 -3.163 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 68 17.184 -2.622 0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.299 -0.973 1.243 1.00 0.00 H new ATOM 55 N PRO A 69 11.676 -2.052 -4.026 1.00 0.00 N ATOM 56 CA PRO A 69 10.984 -1.352 -5.110 1.00 0.00 C ATOM 57 C PRO A 69 11.553 0.059 -5.295 1.00 0.00 C ATOM 58 O PRO A 69 12.053 0.668 -4.337 1.00 0.00 O ATOM 59 CB PRO A 69 9.536 -1.280 -4.614 1.00 0.00 C ATOM 60 CG PRO A 69 9.420 -2.405 -3.653 1.00 0.00 C ATOM 61 CD PRO A 69 10.743 -2.478 -2.969 1.00 0.00 C ATOM 0 HA PRO A 69 11.087 -1.852 -6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.327 -0.324 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.828 -1.385 -5.436 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.617 -2.229 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.191 -3.339 -4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 69 10.787 -1.821 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.962 -3.486 -2.617 1.00 0.00 H new ATOM 69 N THR A 70 11.464 0.585 -6.494 1.00 0.00 N ATOM 70 CA THR A 70 12.027 1.886 -6.778 1.00 0.00 C ATOM 71 C THR A 70 11.031 2.999 -6.406 1.00 0.00 C ATOM 72 O THR A 70 11.283 4.190 -6.648 1.00 0.00 O ATOM 73 CB THR A 70 12.507 2.013 -8.264 1.00 0.00 C ATOM 74 OG1 THR A 70 13.231 3.244 -8.449 1.00 0.00 O ATOM 75 CG2 THR A 70 11.333 1.969 -9.240 1.00 0.00 C ATOM 0 H THR A 70 11.008 0.134 -7.288 1.00 0.00 H new ATOM 0 HA THR A 70 12.915 2.002 -6.157 1.00 0.00 H new ATOM 0 HB THR A 70 13.159 1.164 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.737 3.980 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.705 2.060 -10.261 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.803 1.023 -9.130 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.652 2.793 -9.027 1.00 0.00 H new ATOM 83 N HIS A 71 9.906 2.602 -5.842 1.00 0.00 N ATOM 84 CA HIS A 71 8.942 3.542 -5.329 1.00 0.00 C ATOM 85 C HIS A 71 9.411 4.050 -3.990 1.00 0.00 C ATOM 86 O HIS A 71 9.655 3.254 -3.075 1.00 0.00 O ATOM 87 CB HIS A 71 7.556 2.912 -5.158 1.00 0.00 C ATOM 88 CG HIS A 71 6.848 2.566 -6.421 1.00 0.00 C ATOM 89 ND1 HIS A 71 5.971 1.517 -6.544 1.00 0.00 N ATOM 90 CD2 HIS A 71 6.870 3.176 -7.615 1.00 0.00 C ATOM 91 CE1 HIS A 71 5.501 1.513 -7.783 1.00 0.00 C ATOM 92 NE2 HIS A 71 6.017 2.507 -8.485 1.00 0.00 N ATOM 0 H HIS A 71 9.641 1.624 -5.729 1.00 0.00 H new ATOM 0 HA HIS A 71 8.857 4.355 -6.050 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.659 2.006 -4.560 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.931 3.600 -4.589 1.00 0.00 H new ATOM 0 HD1 HIS A 71 5.724 0.855 -5.809 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.457 4.048 -7.861 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.792 0.795 -8.167 1.00 0.00 H new ATOM 100 N SER A 72 9.554 5.328 -3.883 1.00 0.00 N ATOM 101 CA SER A 72 9.976 5.946 -2.669 1.00 0.00 C ATOM 102 C SER A 72 8.756 6.493 -1.942 1.00 0.00 C ATOM 103 O SER A 72 8.024 7.352 -2.473 1.00 0.00 O ATOM 104 CB SER A 72 10.977 7.046 -2.982 1.00 0.00 C ATOM 105 OG SER A 72 12.068 6.517 -3.737 1.00 0.00 O ATOM 0 H SER A 72 9.379 5.982 -4.646 1.00 0.00 H new ATOM 0 HA SER A 72 10.467 5.220 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.489 7.843 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.346 7.487 -2.056 1.00 0.00 H new ATOM 0 HG SER A 72 12.707 7.234 -3.935 1.00 0.00 H new ATOM 111 N TRP A 73 8.505 5.955 -0.779 1.00 0.00 N ATOM 112 CA TRP A 73 7.375 6.329 0.023 1.00 0.00 C ATOM 113 C TRP A 73 7.834 6.773 1.400 1.00 0.00 C ATOM 114 O TRP A 73 8.915 6.360 1.861 1.00 0.00 O ATOM 115 CB TRP A 73 6.417 5.142 0.135 1.00 0.00 C ATOM 116 CG TRP A 73 5.778 4.767 -1.171 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.117 3.732 -1.990 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.695 5.447 -1.812 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.301 3.722 -3.096 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.423 4.763 -3.008 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.928 6.565 -1.486 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.417 5.159 -3.874 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.931 6.956 -2.349 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.686 6.252 -3.528 1.00 0.00 C ATOM 0 H TRP A 73 9.090 5.234 -0.357 1.00 0.00 H new ATOM 0 HA TRP A 73 6.856 7.163 -0.449 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.960 4.282 0.526 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.637 5.381 0.858 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.910 3.024 -1.798 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.345 3.046 -3.859 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.113 7.113 -0.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.221 4.620 -4.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.329 7.820 -2.110 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.895 6.584 -4.184 1.00 0.00 H new ATOM 135 N LYS A 74 7.082 7.657 2.023 1.00 0.00 N ATOM 136 CA LYS A 74 7.360 8.070 3.383 1.00 0.00 C ATOM 137 C LYS A 74 6.129 7.857 4.243 1.00 0.00 C ATOM 138 O LYS A 74 5.004 7.747 3.730 1.00 0.00 O ATOM 139 CB LYS A 74 7.809 9.542 3.486 1.00 0.00 C ATOM 140 CG LYS A 74 6.798 10.551 2.969 1.00 0.00 C ATOM 141 CD LYS A 74 7.103 11.962 3.434 1.00 0.00 C ATOM 142 CE LYS A 74 6.824 12.131 4.931 1.00 0.00 C ATOM 143 NZ LYS A 74 7.054 13.518 5.392 1.00 0.00 N ATOM 0 H LYS A 74 6.267 8.106 1.605 1.00 0.00 H new ATOM 0 HA LYS A 74 8.188 7.456 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.028 9.769 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.740 9.664 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.786 10.525 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.801 10.268 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.147 12.196 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.500 12.672 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.793 11.847 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.462 11.452 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.852 13.583 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.045 13.782 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.427 14.165 4.873 1.00 0.00 H new ATOM 157 N VAL A 75 6.334 7.753 5.531 1.00 0.00 N ATOM 158 CA VAL A 75 5.244 7.612 6.462 1.00 0.00 C ATOM 159 C VAL A 75 4.389 8.872 6.420 1.00 0.00 C ATOM 160 O VAL A 75 4.907 9.989 6.549 1.00 0.00 O ATOM 161 CB VAL A 75 5.751 7.362 7.898 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.593 7.238 8.877 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.618 6.114 7.947 1.00 0.00 C ATOM 0 H VAL A 75 7.258 7.764 5.963 1.00 0.00 H new ATOM 0 HA VAL A 75 4.649 6.746 6.171 1.00 0.00 H new ATOM 0 HB VAL A 75 6.354 8.221 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.982 7.062 9.880 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.010 8.159 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.956 6.404 8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.967 5.953 8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.034 5.252 7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.476 6.241 7.286 1.00 0.00 H new ATOM 173 N GLY A 76 3.114 8.694 6.235 1.00 0.00 N ATOM 174 CA GLY A 76 2.236 9.816 6.124 1.00 0.00 C ATOM 175 C GLY A 76 1.780 10.019 4.703 1.00 0.00 C ATOM 176 O GLY A 76 0.923 10.850 4.438 1.00 0.00 O ATOM 0 H GLY A 76 2.662 7.783 6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.369 9.667 6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.744 10.714 6.476 1.00 0.00 H new ATOM 180 N ASP A 77 2.359 9.270 3.779 1.00 0.00 N ATOM 181 CA ASP A 77 1.949 9.355 2.380 1.00 0.00 C ATOM 182 C ASP A 77 0.635 8.712 2.150 1.00 0.00 C ATOM 183 O ASP A 77 0.288 7.704 2.791 1.00 0.00 O ATOM 184 CB ASP A 77 2.931 8.711 1.409 1.00 0.00 C ATOM 185 CG ASP A 77 4.003 9.618 0.900 1.00 0.00 C ATOM 186 OD1 ASP A 77 3.689 10.768 0.510 1.00 0.00 O ATOM 187 OD2 ASP A 77 5.154 9.191 0.793 1.00 0.00 O ATOM 0 H ASP A 77 3.107 8.602 3.965 1.00 0.00 H new ATOM 0 HA ASP A 77 1.905 10.427 2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.400 7.860 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.373 8.319 0.558 1.00 0.00 H new ATOM 192 N LYS A 78 -0.088 9.275 1.241 1.00 0.00 N ATOM 193 CA LYS A 78 -1.294 8.694 0.789 1.00 0.00 C ATOM 194 C LYS A 78 -0.943 7.906 -0.430 1.00 0.00 C ATOM 195 O LYS A 78 -0.280 8.407 -1.344 1.00 0.00 O ATOM 196 CB LYS A 78 -2.339 9.753 0.428 1.00 0.00 C ATOM 197 CG LYS A 78 -2.856 10.591 1.584 1.00 0.00 C ATOM 198 CD LYS A 78 -3.660 9.768 2.580 1.00 0.00 C ATOM 199 CE LYS A 78 -4.426 10.663 3.556 1.00 0.00 C ATOM 200 NZ LYS A 78 -3.547 11.559 4.335 1.00 0.00 N ATOM 0 H LYS A 78 0.149 10.159 0.791 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.730 8.077 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.909 10.422 -0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.187 9.255 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.015 11.057 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.479 11.397 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.361 9.129 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.991 9.111 3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.146 11.264 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.996 10.037 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.108 12.053 5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.802 10.999 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.111 12.257 3.699 1.00 0.00 H new ATOM 214 N CYS A 79 -1.367 6.725 -0.457 1.00 0.00 N ATOM 215 CA CYS A 79 -1.071 5.847 -1.532 1.00 0.00 C ATOM 216 C CYS A 79 -2.290 5.046 -1.840 1.00 0.00 C ATOM 217 O CYS A 79 -3.324 5.202 -1.192 1.00 0.00 O ATOM 218 CB CYS A 79 0.090 4.922 -1.141 1.00 0.00 C ATOM 219 SG CYS A 79 -0.214 3.933 0.352 1.00 0.00 S ATOM 0 H CYS A 79 -1.945 6.312 0.275 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.776 6.417 -2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.299 4.249 -1.972 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.984 5.526 -0.987 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.218 4.435 1.008 1.00 0.00 H new ATOM 225 N MET A 80 -2.211 4.245 -2.829 1.00 0.00 N ATOM 226 CA MET A 80 -3.265 3.346 -3.116 1.00 0.00 C ATOM 227 C MET A 80 -2.691 1.978 -3.037 1.00 0.00 C ATOM 228 O MET A 80 -1.645 1.709 -3.627 1.00 0.00 O ATOM 229 CB MET A 80 -3.887 3.597 -4.484 1.00 0.00 C ATOM 230 CG MET A 80 -4.252 5.048 -4.726 1.00 0.00 C ATOM 231 SD MET A 80 -5.233 5.298 -6.206 1.00 0.00 S ATOM 232 CE MET A 80 -6.741 4.465 -5.723 1.00 0.00 C ATOM 0 H MET A 80 -1.416 4.191 -3.465 1.00 0.00 H new ATOM 0 HA MET A 80 -4.074 3.481 -2.398 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.190 3.273 -5.256 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.782 2.984 -4.585 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.804 5.424 -3.865 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.338 5.637 -4.801 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.580 4.876 -6.285 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.651 3.399 -5.932 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.912 4.612 -4.657 1.00 0.00 H new ATOM 242 N ALA A 81 -3.332 1.142 -2.308 1.00 0.00 N ATOM 243 CA ALA A 81 -2.858 -0.181 -2.073 1.00 0.00 C ATOM 244 C ALA A 81 -3.848 -1.160 -2.605 1.00 0.00 C ATOM 245 O ALA A 81 -5.038 -0.852 -2.704 1.00 0.00 O ATOM 246 CB ALA A 81 -2.671 -0.393 -0.592 1.00 0.00 C ATOM 0 H ALA A 81 -4.217 1.356 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.902 -0.325 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.308 -1.405 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.946 0.325 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.624 -0.253 -0.081 1.00 0.00 H new ATOM 252 N VAL A 82 -3.378 -2.305 -2.969 1.00 0.00 N ATOM 253 CA VAL A 82 -4.235 -3.342 -3.450 1.00 0.00 C ATOM 254 C VAL A 82 -4.713 -4.141 -2.261 1.00 0.00 C ATOM 255 O VAL A 82 -3.915 -4.780 -1.585 1.00 0.00 O ATOM 256 CB VAL A 82 -3.501 -4.266 -4.454 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.428 -5.356 -4.977 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.932 -3.453 -5.611 1.00 0.00 C ATOM 0 H VAL A 82 -2.389 -2.551 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.077 -2.897 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.678 -4.747 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.886 -5.989 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.784 -5.961 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.278 -4.899 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.420 -4.118 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.743 -2.941 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.226 -2.717 -5.226 1.00 0.00 H new ATOM 268 N TRP A 83 -5.998 -4.068 -2.001 1.00 0.00 N ATOM 269 CA TRP A 83 -6.613 -4.753 -0.895 1.00 0.00 C ATOM 270 C TRP A 83 -6.562 -6.180 -1.157 1.00 0.00 C ATOM 271 O TRP A 83 -7.198 -6.684 -2.085 1.00 0.00 O ATOM 272 CB TRP A 83 -8.058 -4.291 -0.695 1.00 0.00 C ATOM 273 CG TRP A 83 -8.671 -4.702 0.622 1.00 0.00 C ATOM 274 CD1 TRP A 83 -8.025 -4.819 1.803 1.00 0.00 C ATOM 275 CD2 TRP A 83 -10.048 -4.998 0.900 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.888 -5.166 2.796 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.138 -5.282 2.277 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.209 -5.053 0.131 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.336 -5.613 2.898 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.398 -5.383 0.756 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.447 -5.658 2.125 1.00 0.00 C ATOM 0 H TRP A 83 -6.652 -3.522 -2.562 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.072 -4.523 0.023 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.093 -3.204 -0.774 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.669 -4.689 -1.505 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.966 -4.659 1.940 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.637 -5.315 3.773 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.181 -4.843 -0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.379 -5.826 3.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.307 -5.429 0.174 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.394 -5.913 2.578 1.00 0.00 H new ATOM 292 N SER A 84 -5.844 -6.820 -0.320 1.00 0.00 N ATOM 293 CA SER A 84 -5.580 -8.201 -0.392 1.00 0.00 C ATOM 294 C SER A 84 -6.834 -9.068 -0.320 1.00 0.00 C ATOM 295 O SER A 84 -6.817 -10.241 -0.688 1.00 0.00 O ATOM 296 CB SER A 84 -4.619 -8.530 0.702 1.00 0.00 C ATOM 297 OG SER A 84 -3.362 -7.937 0.443 1.00 0.00 O ATOM 0 H SER A 84 -5.399 -6.369 0.479 1.00 0.00 H new ATOM 0 HA SER A 84 -5.151 -8.427 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.007 -8.174 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.509 -9.611 0.786 1.00 0.00 H new ATOM 0 HG SER A 84 -3.420 -6.970 0.592 1.00 0.00 H new ATOM 303 N GLU A 85 -7.904 -8.499 0.136 1.00 0.00 N ATOM 304 CA GLU A 85 -9.119 -9.225 0.270 1.00 0.00 C ATOM 305 C GLU A 85 -9.912 -9.255 -1.015 1.00 0.00 C ATOM 306 O GLU A 85 -10.459 -10.295 -1.391 1.00 0.00 O ATOM 307 CB GLU A 85 -9.938 -8.633 1.369 1.00 0.00 C ATOM 308 CG GLU A 85 -9.168 -8.494 2.663 1.00 0.00 C ATOM 309 CD GLU A 85 -8.516 -9.775 3.098 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.224 -10.769 3.344 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.283 -9.820 3.173 1.00 0.00 O ATOM 0 H GLU A 85 -7.957 -7.522 0.424 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.864 -10.257 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.299 -7.652 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.816 -9.257 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.404 -7.726 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.844 -8.152 3.447 1.00 0.00 H new ATOM 318 N ASP A 86 -9.967 -8.129 -1.693 1.00 0.00 N ATOM 319 CA ASP A 86 -10.825 -8.027 -2.877 1.00 0.00 C ATOM 320 C ASP A 86 -10.019 -7.998 -4.165 1.00 0.00 C ATOM 321 O ASP A 86 -10.535 -8.297 -5.229 1.00 0.00 O ATOM 322 CB ASP A 86 -11.694 -6.777 -2.779 1.00 0.00 C ATOM 323 CG ASP A 86 -12.814 -6.737 -3.791 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.880 -7.327 -3.523 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.698 -6.067 -4.812 1.00 0.00 O ATOM 0 H ASP A 86 -9.445 -7.284 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.456 -8.915 -2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.119 -6.718 -1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.065 -5.897 -2.911 1.00 0.00 H new ATOM 330 N GLY A 87 -8.750 -7.676 -4.060 1.00 0.00 N ATOM 331 CA GLY A 87 -7.894 -7.632 -5.240 1.00 0.00 C ATOM 332 C GLY A 87 -7.964 -6.310 -6.001 1.00 0.00 C ATOM 333 O GLY A 87 -7.468 -6.204 -7.130 1.00 0.00 O ATOM 0 H GLY A 87 -8.285 -7.442 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.863 -7.812 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.175 -8.443 -5.912 1.00 0.00 H new ATOM 337 N GLN A 88 -8.562 -5.306 -5.399 1.00 0.00 N ATOM 338 CA GLN A 88 -8.683 -3.996 -6.037 1.00 0.00 C ATOM 339 C GLN A 88 -7.831 -2.984 -5.319 1.00 0.00 C ATOM 340 O GLN A 88 -7.361 -3.244 -4.216 1.00 0.00 O ATOM 341 CB GLN A 88 -10.129 -3.515 -6.077 1.00 0.00 C ATOM 342 CG GLN A 88 -11.056 -4.295 -6.979 1.00 0.00 C ATOM 343 CD GLN A 88 -10.654 -4.257 -8.439 1.00 0.00 C ATOM 344 OE1 GLN A 88 -11.041 -3.357 -9.177 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.937 -5.243 -8.880 1.00 0.00 N ATOM 0 H GLN A 88 -8.975 -5.363 -4.468 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.336 -4.102 -7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.530 -3.543 -5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.137 -2.472 -6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.086 -5.332 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.066 -3.898 -6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.630 -5.976 -8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.679 -5.285 -9.866 1.00 0.00 H new ATOM 354 N CYS A 89 -7.658 -1.832 -5.908 1.00 0.00 N ATOM 355 CA CYS A 89 -6.814 -0.814 -5.311 1.00 0.00 C ATOM 356 C CYS A 89 -7.647 0.254 -4.629 1.00 0.00 C ATOM 357 O CYS A 89 -8.650 0.729 -5.185 1.00 0.00 O ATOM 358 CB CYS A 89 -5.845 -0.211 -6.336 1.00 0.00 C ATOM 359 SG CYS A 89 -6.622 0.529 -7.790 1.00 0.00 S ATOM 0 H CYS A 89 -8.085 -1.569 -6.796 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.207 -1.295 -4.545 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.243 0.550 -5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.161 -0.992 -6.668 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.704 1.004 -8.578 1.00 0.00 H new ATOM 365 N TYR A 90 -7.250 0.613 -3.429 1.00 0.00 N ATOM 366 CA TYR A 90 -7.968 1.563 -2.600 1.00 0.00 C ATOM 367 C TYR A 90 -6.997 2.533 -1.963 1.00 0.00 C ATOM 368 O TYR A 90 -5.813 2.222 -1.827 1.00 0.00 O ATOM 369 CB TYR A 90 -8.738 0.833 -1.506 1.00 0.00 C ATOM 370 CG TYR A 90 -9.813 -0.114 -2.001 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.491 -1.396 -2.408 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.142 0.267 -2.041 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.449 -2.269 -2.843 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.118 -0.607 -2.474 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.763 -1.873 -2.875 1.00 0.00 C ATOM 376 OH TYR A 90 -12.727 -2.749 -3.309 1.00 0.00 O ATOM 0 H TYR A 90 -6.404 0.248 -2.991 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.669 2.110 -3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.030 0.269 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.200 1.573 -0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.459 -1.715 -2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.420 1.263 -1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.174 -3.264 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.153 -0.299 -2.498 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.605 -2.315 -3.270 1.00 0.00 H new ATOM 386 N GLU A 91 -7.494 3.680 -1.580 1.00 0.00 N ATOM 387 CA GLU A 91 -6.695 4.725 -0.979 1.00 0.00 C ATOM 388 C GLU A 91 -6.331 4.360 0.460 1.00 0.00 C ATOM 389 O GLU A 91 -7.198 4.044 1.288 1.00 0.00 O ATOM 390 CB GLU A 91 -7.455 6.045 -1.027 1.00 0.00 C ATOM 391 CG GLU A 91 -6.687 7.228 -0.480 1.00 0.00 C ATOM 392 CD GLU A 91 -7.486 8.491 -0.541 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.486 9.164 -1.586 1.00 0.00 O ATOM 394 OE2 GLU A 91 -8.126 8.853 0.455 1.00 0.00 O ATOM 0 H GLU A 91 -8.480 3.922 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.768 4.833 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.732 6.253 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.382 5.937 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.402 7.029 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.764 7.355 -1.047 1.00 0.00 H new ATOM 401 N ALA A 92 -5.065 4.405 0.745 1.00 0.00 N ATOM 402 CA ALA A 92 -4.548 4.037 2.033 1.00 0.00 C ATOM 403 C ALA A 92 -3.394 4.932 2.412 1.00 0.00 C ATOM 404 O ALA A 92 -2.672 5.421 1.549 1.00 0.00 O ATOM 405 CB ALA A 92 -4.086 2.602 1.988 1.00 0.00 C ATOM 0 H ALA A 92 -4.350 4.702 0.081 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.334 4.150 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.692 2.316 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.927 1.957 1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.305 2.495 1.235 1.00 0.00 H new ATOM 411 N GLU A 93 -3.218 5.150 3.670 1.00 0.00 N ATOM 412 CA GLU A 93 -2.133 5.957 4.139 1.00 0.00 C ATOM 413 C GLU A 93 -1.087 5.066 4.772 1.00 0.00 C ATOM 414 O GLU A 93 -1.417 4.083 5.443 1.00 0.00 O ATOM 415 CB GLU A 93 -2.623 7.019 5.116 1.00 0.00 C ATOM 416 CG GLU A 93 -1.524 7.933 5.642 1.00 0.00 C ATOM 417 CD GLU A 93 -2.063 9.026 6.506 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.473 8.754 7.639 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.136 10.170 6.047 1.00 0.00 O ATOM 0 H GLU A 93 -3.818 4.777 4.405 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.686 6.483 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.382 7.627 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.106 6.526 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.805 7.343 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.984 8.369 4.802 1.00 0.00 H new ATOM 426 N ILE A 94 0.149 5.373 4.508 1.00 0.00 N ATOM 427 CA ILE A 94 1.262 4.621 5.033 1.00 0.00 C ATOM 428 C ILE A 94 1.515 4.968 6.489 1.00 0.00 C ATOM 429 O ILE A 94 1.775 6.134 6.837 1.00 0.00 O ATOM 430 CB ILE A 94 2.528 4.869 4.205 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.242 4.496 2.758 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.686 4.042 4.760 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.302 4.900 1.786 1.00 0.00 C ATOM 0 H ILE A 94 0.421 6.159 3.917 1.00 0.00 H new ATOM 0 HA ILE A 94 1.006 3.563 4.969 1.00 0.00 H new ATOM 0 HB ILE A 94 2.811 5.920 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.104 3.417 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.300 4.955 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.581 4.225 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.873 4.327 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.431 2.983 4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.011 4.593 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.426 5.983 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.243 4.420 2.054 1.00 0.00 H new ATOM 445 N GLU A 95 1.453 3.957 7.311 1.00 0.00 N ATOM 446 CA GLU A 95 1.642 4.072 8.737 1.00 0.00 C ATOM 447 C GLU A 95 3.087 3.810 9.108 1.00 0.00 C ATOM 448 O GLU A 95 3.627 4.428 10.024 1.00 0.00 O ATOM 449 CB GLU A 95 0.757 3.064 9.447 1.00 0.00 C ATOM 450 CG GLU A 95 -0.722 3.261 9.208 1.00 0.00 C ATOM 451 CD GLU A 95 -1.272 4.517 9.847 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.272 5.578 9.209 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.729 4.457 11.021 1.00 0.00 O ATOM 0 H GLU A 95 1.265 3.003 7.002 1.00 0.00 H new ATOM 0 HA GLU A 95 1.377 5.085 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.035 2.061 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.951 3.118 10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.907 3.297 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.263 2.398 9.596 1.00 0.00 H new ATOM 460 N GLU A 96 3.707 2.896 8.397 1.00 0.00 N ATOM 461 CA GLU A 96 5.071 2.511 8.669 1.00 0.00 C ATOM 462 C GLU A 96 5.648 1.834 7.436 1.00 0.00 C ATOM 463 O GLU A 96 4.908 1.262 6.643 1.00 0.00 O ATOM 464 CB GLU A 96 5.123 1.573 9.896 1.00 0.00 C ATOM 465 CG GLU A 96 6.524 1.184 10.325 1.00 0.00 C ATOM 466 CD GLU A 96 7.371 2.378 10.683 1.00 0.00 C ATOM 467 OE1 GLU A 96 7.850 3.075 9.767 1.00 0.00 O ATOM 468 OE2 GLU A 96 7.585 2.632 11.876 1.00 0.00 O ATOM 0 H GLU A 96 3.280 2.400 7.615 1.00 0.00 H new ATOM 0 HA GLU A 96 5.668 3.393 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.622 2.060 10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.560 0.667 9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.465 0.514 11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.006 0.629 9.520 1.00 0.00 H new ATOM 475 N ILE A 97 6.940 1.931 7.260 1.00 0.00 N ATOM 476 CA ILE A 97 7.619 1.363 6.105 1.00 0.00 C ATOM 477 C ILE A 97 8.690 0.379 6.550 1.00 0.00 C ATOM 478 O ILE A 97 9.382 0.607 7.550 1.00 0.00 O ATOM 479 CB ILE A 97 8.280 2.495 5.282 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.221 3.476 4.848 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.018 1.948 4.055 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.769 4.812 4.544 1.00 0.00 C ATOM 0 H ILE A 97 7.562 2.407 7.913 1.00 0.00 H new ATOM 0 HA ILE A 97 6.885 0.839 5.493 1.00 0.00 H new ATOM 0 HB ILE A 97 9.016 2.992 5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.712 3.088 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.472 3.566 5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.468 2.773 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.798 1.258 4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.313 1.423 3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.961 5.476 4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.254 5.217 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.498 4.731 3.738 1.00 0.00 H new ATOM 494 N ASP A 98 8.792 -0.708 5.842 1.00 0.00 N ATOM 495 CA ASP A 98 9.817 -1.699 6.046 1.00 0.00 C ATOM 496 C ASP A 98 10.649 -1.774 4.789 1.00 0.00 C ATOM 497 O ASP A 98 10.293 -2.447 3.829 1.00 0.00 O ATOM 498 CB ASP A 98 9.238 -3.080 6.353 1.00 0.00 C ATOM 499 CG ASP A 98 10.332 -4.096 6.577 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.837 -4.215 7.706 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.711 -4.775 5.636 1.00 0.00 O ATOM 0 H ASP A 98 8.148 -0.939 5.085 1.00 0.00 H new ATOM 0 HA ASP A 98 10.417 -1.404 6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.605 -3.023 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.603 -3.402 5.528 1.00 0.00 H new ATOM 506 N GLU A 99 11.709 -1.028 4.771 1.00 0.00 N ATOM 507 CA GLU A 99 12.619 -0.964 3.630 1.00 0.00 C ATOM 508 C GLU A 99 13.334 -2.292 3.396 1.00 0.00 C ATOM 509 O GLU A 99 13.885 -2.527 2.331 1.00 0.00 O ATOM 510 CB GLU A 99 13.633 0.145 3.827 1.00 0.00 C ATOM 511 CG GLU A 99 13.016 1.525 3.958 1.00 0.00 C ATOM 512 CD GLU A 99 14.028 2.571 4.329 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.695 3.129 3.445 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.182 2.859 5.532 1.00 0.00 O ATOM 0 H GLU A 99 11.986 -0.432 5.551 1.00 0.00 H new ATOM 0 HA GLU A 99 12.018 -0.751 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.219 -0.067 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.325 0.145 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.543 1.799 3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.231 1.499 4.713 1.00 0.00 H new ATOM 521 N GLU A 100 13.334 -3.145 4.396 1.00 0.00 N ATOM 522 CA GLU A 100 14.039 -4.398 4.326 1.00 0.00 C ATOM 523 C GLU A 100 13.340 -5.352 3.355 1.00 0.00 C ATOM 524 O GLU A 100 13.979 -5.999 2.537 1.00 0.00 O ATOM 525 CB GLU A 100 14.115 -5.005 5.718 1.00 0.00 C ATOM 526 CG GLU A 100 15.074 -6.168 5.832 1.00 0.00 C ATOM 527 CD GLU A 100 16.471 -5.793 5.406 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.115 -4.982 6.079 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.951 -6.304 4.378 1.00 0.00 O ATOM 0 H GLU A 100 12.845 -2.987 5.277 1.00 0.00 H new ATOM 0 HA GLU A 100 15.049 -4.227 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.414 -4.231 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.120 -5.338 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.092 -6.523 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.717 -6.994 5.217 1.00 0.00 H new ATOM 536 N ASN A 101 12.043 -5.402 3.424 1.00 0.00 N ATOM 537 CA ASN A 101 11.261 -6.234 2.516 1.00 0.00 C ATOM 538 C ASN A 101 10.697 -5.401 1.413 1.00 0.00 C ATOM 539 O ASN A 101 10.123 -5.926 0.436 1.00 0.00 O ATOM 540 CB ASN A 101 10.110 -6.913 3.244 1.00 0.00 C ATOM 541 CG ASN A 101 10.552 -7.901 4.285 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.745 -9.087 4.000 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.721 -7.432 5.477 1.00 0.00 N ATOM 0 H ASN A 101 11.487 -4.878 4.100 1.00 0.00 H new ATOM 0 HA ASN A 101 11.928 -6.995 2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.492 -6.151 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.482 -7.424 2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.026 -8.049 6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.549 -6.444 5.666 1.00 0.00 H new ATOM 550 N GLY A 102 10.845 -4.107 1.559 1.00 0.00 N ATOM 551 CA GLY A 102 10.285 -3.188 0.625 1.00 0.00 C ATOM 552 C GLY A 102 8.789 -3.127 0.785 1.00 0.00 C ATOM 553 O GLY A 102 8.055 -2.943 -0.186 1.00 0.00 O ATOM 0 H GLY A 102 11.356 -3.672 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.714 -2.198 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.537 -3.493 -0.391 1.00 0.00 H new ATOM 557 N THR A 103 8.331 -3.300 2.001 1.00 0.00 N ATOM 558 CA THR A 103 6.930 -3.285 2.285 1.00 0.00 C ATOM 559 C THR A 103 6.551 -2.104 3.141 1.00 0.00 C ATOM 560 O THR A 103 7.407 -1.432 3.696 1.00 0.00 O ATOM 561 CB THR A 103 6.481 -4.604 2.943 1.00 0.00 C ATOM 562 OG1 THR A 103 7.381 -4.961 4.008 1.00 0.00 O ATOM 563 CG2 THR A 103 6.423 -5.731 1.932 1.00 0.00 C ATOM 0 H THR A 103 8.924 -3.455 2.816 1.00 0.00 H new ATOM 0 HA THR A 103 6.408 -3.186 1.333 1.00 0.00 H new ATOM 0 HB THR A 103 5.480 -4.449 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.085 -5.800 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.103 -6.648 2.427 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.713 -5.477 1.145 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.411 -5.880 1.496 1.00 0.00 H new ATOM 571 N ALA A 104 5.295 -1.815 3.190 1.00 0.00 N ATOM 572 CA ALA A 104 4.791 -0.767 4.002 1.00 0.00 C ATOM 573 C ALA A 104 3.504 -1.204 4.631 1.00 0.00 C ATOM 574 O ALA A 104 2.728 -1.966 4.037 1.00 0.00 O ATOM 575 CB ALA A 104 4.572 0.492 3.184 1.00 0.00 C ATOM 0 H ALA A 104 4.580 -2.310 2.657 1.00 0.00 H new ATOM 0 HA ALA A 104 5.520 -0.541 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.185 1.282 3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.518 0.811 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.855 0.289 2.389 1.00 0.00 H new ATOM 581 N ALA A 105 3.297 -0.770 5.824 1.00 0.00 N ATOM 582 CA ALA A 105 2.092 -1.021 6.524 1.00 0.00 C ATOM 583 C ALA A 105 1.191 0.146 6.264 1.00 0.00 C ATOM 584 O ALA A 105 1.552 1.302 6.540 1.00 0.00 O ATOM 585 CB ALA A 105 2.367 -1.183 7.993 1.00 0.00 C ATOM 0 H ALA A 105 3.976 -0.219 6.349 1.00 0.00 H new ATOM 0 HA ALA A 105 1.622 -1.945 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.432 -1.375 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.048 -2.020 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.821 -0.271 8.381 1.00 0.00 H new ATOM 591 N ILE A 106 0.060 -0.124 5.718 1.00 0.00 N ATOM 592 CA ILE A 106 -0.824 0.912 5.279 1.00 0.00 C ATOM 593 C ILE A 106 -2.181 0.741 5.905 1.00 0.00 C ATOM 594 O ILE A 106 -2.570 -0.370 6.242 1.00 0.00 O ATOM 595 CB ILE A 106 -0.946 0.895 3.721 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.456 -0.463 3.211 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.364 1.250 3.055 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.919 -0.485 2.927 1.00 0.00 C ATOM 0 H ILE A 106 -0.286 -1.070 5.559 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.414 1.873 5.589 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.678 1.657 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.914 -0.727 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.227 -1.229 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.240 1.228 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.670 2.249 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.128 0.529 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.206 -1.475 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.470 -0.253 3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.153 0.257 2.163 1.00 0.00 H new ATOM 610 N THR A 107 -2.869 1.824 6.087 1.00 0.00 N ATOM 611 CA THR A 107 -4.199 1.802 6.594 1.00 0.00 C ATOM 612 C THR A 107 -5.133 2.404 5.570 1.00 0.00 C ATOM 613 O THR A 107 -4.931 3.533 5.124 1.00 0.00 O ATOM 614 CB THR A 107 -4.295 2.543 7.942 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.457 1.868 8.882 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.729 2.573 8.472 1.00 0.00 C ATOM 0 H THR A 107 -2.515 2.759 5.884 1.00 0.00 H new ATOM 0 HA THR A 107 -4.492 0.768 6.778 1.00 0.00 H new ATOM 0 HB THR A 107 -3.975 3.575 7.798 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.502 2.325 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.754 3.104 9.424 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.371 3.083 7.755 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.085 1.553 8.616 1.00 0.00 H new ATOM 624 N PHE A 108 -6.115 1.632 5.182 1.00 0.00 N ATOM 625 CA PHE A 108 -7.092 2.037 4.213 1.00 0.00 C ATOM 626 C PHE A 108 -7.937 3.140 4.763 1.00 0.00 C ATOM 627 O PHE A 108 -8.634 2.960 5.774 1.00 0.00 O ATOM 628 CB PHE A 108 -7.948 0.859 3.781 1.00 0.00 C ATOM 629 CG PHE A 108 -7.190 -0.155 2.989 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.864 0.119 1.673 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.789 -1.369 3.546 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.161 -0.784 0.915 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.076 -2.277 2.789 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.763 -1.986 1.468 1.00 0.00 C ATOM 0 H PHE A 108 -6.258 0.687 5.539 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.571 2.409 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.370 0.380 4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.785 1.224 3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.167 1.058 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.037 -1.599 4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.919 -0.555 -0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.762 -3.214 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.209 -2.698 0.874 1.00 0.00 H new ATOM 644 N ALA A 109 -7.881 4.264 4.103 1.00 0.00 N ATOM 645 CA ALA A 109 -8.553 5.445 4.544 1.00 0.00 C ATOM 646 C ALA A 109 -10.048 5.283 4.377 1.00 0.00 C ATOM 647 O ALA A 109 -10.516 4.767 3.354 1.00 0.00 O ATOM 648 CB ALA A 109 -8.035 6.653 3.784 1.00 0.00 C ATOM 0 H ALA A 109 -7.360 4.382 3.234 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.350 5.604 5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.553 7.548 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.965 6.763 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.214 6.516 2.718 1.00 0.00 H new ATOM 654 N GLY A 110 -10.781 5.631 5.397 1.00 0.00 N ATOM 655 CA GLY A 110 -12.215 5.539 5.341 1.00 0.00 C ATOM 656 C GLY A 110 -12.720 4.254 5.951 1.00 0.00 C ATOM 657 O GLY A 110 -13.625 4.268 6.796 1.00 0.00 O ATOM 0 H GLY A 110 -10.409 5.982 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.654 6.387 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.543 5.602 4.303 1.00 0.00 H new ATOM 661 N TYR A 111 -12.149 3.146 5.524 1.00 0.00 N ATOM 662 CA TYR A 111 -12.535 1.849 6.016 1.00 0.00 C ATOM 663 C TYR A 111 -11.865 1.569 7.361 1.00 0.00 C ATOM 664 O TYR A 111 -12.516 1.168 8.320 1.00 0.00 O ATOM 665 CB TYR A 111 -12.121 0.792 5.028 1.00 0.00 C ATOM 666 CG TYR A 111 -12.572 1.031 3.603 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.852 0.708 3.193 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.688 1.532 2.657 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.247 0.875 1.878 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.067 1.711 1.348 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.351 1.377 0.960 1.00 0.00 C ATOM 672 OH TYR A 111 -13.739 1.547 -0.354 1.00 0.00 O ATOM 0 H TYR A 111 -11.405 3.124 4.826 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.617 1.832 6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.034 0.712 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.515 -0.168 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.557 0.318 3.913 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.682 1.786 2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.250 0.614 1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.367 2.109 0.628 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.155 1.020 -0.938 1.00 0.00 H new ATOM 682 N GLY A 112 -10.558 1.778 7.421 1.00 0.00 N ATOM 683 CA GLY A 112 -9.846 1.604 8.666 1.00 0.00 C ATOM 684 C GLY A 112 -9.129 0.265 8.831 1.00 0.00 C ATOM 685 O GLY A 112 -8.915 -0.178 9.956 1.00 0.00 O ATOM 0 H GLY A 112 -9.980 2.064 6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.111 2.404 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.552 1.722 9.488 1.00 0.00 H new ATOM 689 N ASN A 113 -8.752 -0.397 7.750 1.00 0.00 N ATOM 690 CA ASN A 113 -7.979 -1.643 7.908 1.00 0.00 C ATOM 691 C ASN A 113 -6.555 -1.392 7.591 1.00 0.00 C ATOM 692 O ASN A 113 -6.231 -0.400 6.955 1.00 0.00 O ATOM 693 CB ASN A 113 -8.457 -2.813 7.056 1.00 0.00 C ATOM 694 CG ASN A 113 -9.855 -3.247 7.337 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.393 -3.020 8.421 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.412 -3.954 6.409 1.00 0.00 N ATOM 0 H ASN A 113 -8.951 -0.119 6.789 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.126 -1.935 8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.379 -2.537 6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.788 -3.659 7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.339 -4.352 6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.924 -4.113 5.527 1.00 0.00 H new ATOM 703 N ALA A 114 -5.718 -2.294 7.970 1.00 0.00 N ATOM 704 CA ALA A 114 -4.314 -2.150 7.786 1.00 0.00 C ATOM 705 C ALA A 114 -3.751 -3.426 7.245 1.00 0.00 C ATOM 706 O ALA A 114 -4.192 -4.517 7.630 1.00 0.00 O ATOM 707 CB ALA A 114 -3.639 -1.790 9.103 1.00 0.00 C ATOM 0 H ALA A 114 -5.992 -3.166 8.423 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.127 -1.344 7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.566 -1.684 8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.046 -0.850 9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.822 -2.579 9.833 1.00 0.00 H new ATOM 713 N GLU A 115 -2.830 -3.309 6.335 1.00 0.00 N ATOM 714 CA GLU A 115 -2.168 -4.454 5.801 1.00 0.00 C ATOM 715 C GLU A 115 -0.758 -4.080 5.414 1.00 0.00 C ATOM 716 O GLU A 115 -0.448 -2.890 5.245 1.00 0.00 O ATOM 717 CB GLU A 115 -2.929 -5.069 4.608 1.00 0.00 C ATOM 718 CG GLU A 115 -2.946 -4.272 3.319 1.00 0.00 C ATOM 719 CD GLU A 115 -3.419 -5.135 2.167 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.635 -5.393 2.034 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.559 -5.644 1.423 1.00 0.00 O ATOM 0 H GLU A 115 -2.520 -2.419 5.945 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.141 -5.223 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.495 -6.046 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.961 -5.238 4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.602 -3.408 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.947 -3.889 3.108 1.00 0.00 H new ATOM 728 N VAL A 116 0.094 -5.060 5.319 1.00 0.00 N ATOM 729 CA VAL A 116 1.453 -4.850 4.917 1.00 0.00 C ATOM 730 C VAL A 116 1.566 -5.209 3.451 1.00 0.00 C ATOM 731 O VAL A 116 1.400 -6.369 3.063 1.00 0.00 O ATOM 732 CB VAL A 116 2.442 -5.699 5.751 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.879 -5.415 5.339 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.252 -5.434 7.241 1.00 0.00 C ATOM 0 H VAL A 116 -0.137 -6.033 5.520 1.00 0.00 H new ATOM 0 HA VAL A 116 1.716 -3.805 5.084 1.00 0.00 H new ATOM 0 HB VAL A 116 2.233 -6.751 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.556 -6.023 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.010 -5.658 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.101 -4.360 5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.956 -6.040 7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.430 -4.379 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.233 -5.693 7.530 1.00 0.00 H new ATOM 744 N THR A 117 1.808 -4.233 2.655 1.00 0.00 N ATOM 745 CA THR A 117 1.858 -4.402 1.226 1.00 0.00 C ATOM 746 C THR A 117 3.176 -3.826 0.683 1.00 0.00 C ATOM 747 O THR A 117 3.689 -2.842 1.226 1.00 0.00 O ATOM 748 CB THR A 117 0.608 -3.747 0.547 1.00 0.00 C ATOM 749 OG1 THR A 117 0.584 -4.002 -0.868 1.00 0.00 O ATOM 750 CG2 THR A 117 0.572 -2.255 0.792 1.00 0.00 C ATOM 0 H THR A 117 1.981 -3.278 2.968 1.00 0.00 H new ATOM 0 HA THR A 117 1.830 -5.465 0.986 1.00 0.00 H new ATOM 0 HB THR A 117 -0.273 -4.202 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.209 -3.582 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.307 -1.828 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.526 -2.063 1.864 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.471 -1.797 0.380 1.00 0.00 H new ATOM 758 N PRO A 118 3.805 -4.489 -0.308 1.00 0.00 N ATOM 759 CA PRO A 118 5.044 -4.016 -0.894 1.00 0.00 C ATOM 760 C PRO A 118 4.875 -2.657 -1.552 1.00 0.00 C ATOM 761 O PRO A 118 3.821 -2.355 -2.115 1.00 0.00 O ATOM 762 CB PRO A 118 5.386 -5.072 -1.946 1.00 0.00 C ATOM 763 CG PRO A 118 4.120 -5.772 -2.221 1.00 0.00 C ATOM 764 CD PRO A 118 3.331 -5.718 -0.952 1.00 0.00 C ATOM 0 HA PRO A 118 5.823 -3.888 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.785 -4.612 -2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.145 -5.762 -1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.579 -5.292 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.303 -6.803 -2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.259 -5.682 -1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.512 -6.594 -0.329 1.00 0.00 H new ATOM 772 N LEU A 119 5.921 -1.856 -1.496 1.00 0.00 N ATOM 773 CA LEU A 119 5.954 -0.514 -2.096 1.00 0.00 C ATOM 774 C LEU A 119 5.650 -0.590 -3.587 1.00 0.00 C ATOM 775 O LEU A 119 5.160 0.360 -4.182 1.00 0.00 O ATOM 776 CB LEU A 119 7.325 0.135 -1.886 1.00 0.00 C ATOM 777 CG LEU A 119 7.812 0.251 -0.442 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.201 0.845 -0.395 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.854 1.068 0.401 1.00 0.00 C ATOM 0 H LEU A 119 6.790 -2.112 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 119 5.194 0.094 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.063 -0.436 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.298 1.135 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 119 7.849 -0.754 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.530 0.919 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.889 0.206 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.187 1.838 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.230 1.131 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.767 2.071 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.874 0.591 0.404 1.00 0.00 H new ATOM 791 N LEU A 120 5.948 -1.743 -4.179 1.00 0.00 N ATOM 792 CA LEU A 120 5.702 -1.995 -5.590 1.00 0.00 C ATOM 793 C LEU A 120 4.196 -1.976 -5.871 1.00 0.00 C ATOM 794 O LEU A 120 3.755 -1.573 -6.936 1.00 0.00 O ATOM 795 CB LEU A 120 6.354 -3.339 -6.003 1.00 0.00 C ATOM 796 CG LEU A 120 5.622 -4.642 -5.662 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.696 -5.025 -6.798 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.607 -5.759 -5.366 1.00 0.00 C ATOM 0 H LEU A 120 6.369 -2.531 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 120 6.156 -1.207 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.505 -3.316 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.341 -3.383 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 120 5.027 -4.482 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.179 -5.952 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.965 -4.232 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.277 -5.167 -7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.061 -6.672 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.236 -5.930 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.232 -5.478 -4.518 1.00 0.00 H new ATOM 810 N ASN A 121 3.424 -2.362 -4.875 1.00 0.00 N ATOM 811 CA ASN A 121 1.979 -2.431 -4.992 1.00 0.00 C ATOM 812 C ASN A 121 1.327 -1.129 -4.620 1.00 0.00 C ATOM 813 O ASN A 121 0.118 -0.956 -4.807 1.00 0.00 O ATOM 814 CB ASN A 121 1.388 -3.586 -4.167 1.00 0.00 C ATOM 815 CG ASN A 121 1.512 -4.931 -4.845 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.545 -5.026 -6.075 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.534 -5.974 -4.066 1.00 0.00 N ATOM 0 H ASN A 121 3.780 -2.637 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 121 1.764 -2.629 -6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.890 -3.627 -3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.335 -3.382 -3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.580 -6.910 -4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.505 -5.855 -3.053 1.00 0.00 H new ATOM 824 N LEU A 122 2.111 -0.205 -4.124 1.00 0.00 N ATOM 825 CA LEU A 122 1.601 1.086 -3.766 1.00 0.00 C ATOM 826 C LEU A 122 1.592 1.988 -4.967 1.00 0.00 C ATOM 827 O LEU A 122 2.569 2.052 -5.724 1.00 0.00 O ATOM 828 CB LEU A 122 2.419 1.712 -2.642 1.00 0.00 C ATOM 829 CG LEU A 122 2.385 0.991 -1.306 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.193 1.756 -0.277 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.953 0.811 -0.839 1.00 0.00 C ATOM 0 H LEU A 122 3.110 -0.328 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 122 0.580 0.959 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.457 1.778 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.067 2.732 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 122 2.830 0.004 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.161 1.229 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.227 1.836 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.773 2.754 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.945 0.293 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.481 1.787 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.402 0.224 -1.573 1.00 0.00 H new ATOM 843 N LYS A 123 0.491 2.634 -5.170 1.00 0.00 N ATOM 844 CA LYS A 123 0.332 3.554 -6.258 1.00 0.00 C ATOM 845 C LYS A 123 0.160 4.932 -5.679 1.00 0.00 C ATOM 846 O LYS A 123 -0.232 5.061 -4.514 1.00 0.00 O ATOM 847 CB LYS A 123 -0.925 3.239 -7.075 1.00 0.00 C ATOM 848 CG LYS A 123 -1.053 1.832 -7.594 1.00 0.00 C ATOM 849 CD LYS A 123 -2.308 1.721 -8.434 1.00 0.00 C ATOM 850 CE LYS A 123 -2.559 0.306 -8.941 1.00 0.00 C ATOM 851 NZ LYS A 123 -1.495 -0.186 -9.851 1.00 0.00 N ATOM 0 H LYS A 123 -0.336 2.540 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 123 1.206 3.481 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.797 3.455 -6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.959 3.921 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.178 1.571 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.094 1.128 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.164 2.047 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.231 2.398 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.640 -0.369 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -3.516 0.278 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.731 -1.146 -10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.420 0.448 -10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.587 -0.205 -9.345 1.00 0.00 H new ATOM 865 N PRO A 124 0.441 5.970 -6.446 1.00 0.00 N ATOM 866 CA PRO A 124 0.164 7.315 -6.028 1.00 0.00 C ATOM 867 C PRO A 124 -1.323 7.580 -6.150 1.00 0.00 C ATOM 868 O PRO A 124 -2.003 7.017 -7.036 1.00 0.00 O ATOM 869 CB PRO A 124 0.964 8.187 -6.992 1.00 0.00 C ATOM 870 CG PRO A 124 1.192 7.347 -8.201 1.00 0.00 C ATOM 871 CD PRO A 124 1.050 5.908 -7.781 1.00 0.00 C ATOM 0 HA PRO A 124 0.437 7.512 -4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.417 9.096 -7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.909 8.497 -6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.471 7.592 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.184 7.530 -8.615 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.423 5.352 -8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.017 5.406 -7.753 1.00 0.00 H new ATOM 879 N VAL A 125 -1.838 8.372 -5.260 1.00 0.00 N ATOM 880 CA VAL A 125 -3.249 8.684 -5.266 1.00 0.00 C ATOM 881 C VAL A 125 -3.586 9.636 -6.389 1.00 0.00 C ATOM 882 O VAL A 125 -2.704 10.313 -6.940 1.00 0.00 O ATOM 883 CB VAL A 125 -3.726 9.304 -3.928 1.00 0.00 C ATOM 884 CG1 VAL A 125 -3.647 8.296 -2.806 1.00 0.00 C ATOM 885 CG2 VAL A 125 -2.902 10.535 -3.588 1.00 0.00 C ATOM 0 H VAL A 125 -1.306 8.820 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.767 7.736 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 125 -4.768 9.601 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.987 8.757 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.281 7.441 -3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.616 7.962 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.251 10.957 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -1.853 10.256 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -3.011 11.276 -4.380 1.00 0.00 H new ATOM 895 N GLU A 126 -4.837 9.673 -6.748 1.00 0.00 N ATOM 896 CA GLU A 126 -5.293 10.622 -7.715 1.00 0.00 C ATOM 897 C GLU A 126 -5.351 11.974 -7.035 1.00 0.00 C ATOM 898 O GLU A 126 -5.602 12.055 -5.827 1.00 0.00 O ATOM 899 CB GLU A 126 -6.642 10.213 -8.294 1.00 0.00 C ATOM 900 CG GLU A 126 -7.691 9.916 -7.248 1.00 0.00 C ATOM 901 CD GLU A 126 -9.017 9.608 -7.843 1.00 0.00 C ATOM 902 OE1 GLU A 126 -9.800 10.549 -8.061 1.00 0.00 O ATOM 903 OE2 GLU A 126 -9.313 8.417 -8.103 1.00 0.00 O ATOM 0 H GLU A 126 -5.560 9.053 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 126 -4.607 10.667 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.005 11.010 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -6.506 9.331 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -7.364 9.072 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -7.786 10.772 -6.580 1.00 0.00 H new ATOM 910 N GLU A 127 -5.104 13.009 -7.758 1.00 0.00 N ATOM 911 CA GLU A 127 -4.995 14.294 -7.151 1.00 0.00 C ATOM 912 C GLU A 127 -5.983 15.293 -7.699 1.00 0.00 C ATOM 913 O GLU A 127 -5.904 15.714 -8.849 1.00 0.00 O ATOM 914 CB GLU A 127 -3.554 14.797 -7.212 1.00 0.00 C ATOM 915 CG GLU A 127 -2.922 14.717 -8.587 1.00 0.00 C ATOM 916 CD GLU A 127 -1.536 15.259 -8.593 1.00 0.00 C ATOM 917 OE1 GLU A 127 -0.594 14.535 -8.206 1.00 0.00 O ATOM 918 OE2 GLU A 127 -1.357 16.437 -8.972 1.00 0.00 O ATOM 0 H GLU A 127 -4.973 12.994 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.263 14.180 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.529 15.833 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.950 14.218 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.907 13.679 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.532 15.272 -9.300 1.00 0.00 H new ATOM 925 N GLY A 128 -6.932 15.619 -6.883 1.00 0.00 N ATOM 926 CA GLY A 128 -7.895 16.613 -7.201 1.00 0.00 C ATOM 927 C GLY A 128 -8.025 17.547 -6.045 1.00 0.00 C ATOM 928 O GLY A 128 -7.309 18.564 -5.999 1.00 0.00 O ATOM 929 OXT GLY A 128 -8.777 17.228 -5.101 1.00 0.00 O ATOM 0 H GLY A 128 -7.059 15.194 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -7.592 17.159 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.857 16.149 -7.421 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 N 2MR A1129 -16.810 -5.005 -0.748 1.00 0.00 N HETATM 935 CA 2MR A1129 -16.891 -3.947 0.220 1.00 0.00 C HETATM 936 CB 2MR A1129 -15.581 -3.816 0.978 1.00 0.00 C HETATM 937 CG 2MR A1129 -15.635 -2.837 2.121 1.00 0.00 C HETATM 938 CD 2MR A1129 -14.294 -2.702 2.772 1.00 0.00 C HETATM 939 NE 2MR A1129 -13.288 -2.307 1.804 1.00 0.00 N HETATM 940 CZ 2MR A1129 -12.047 -2.061 2.092 1.00 0.00 C HETATM 941 NH1 2MR A1129 -11.645 -2.180 3.402 1.00 0.00 N HETATM 942 CQ1 2MR A1129 -10.332 -1.971 4.041 1.00 0.00 C HETATM 943 NH2 2MR A1129 -11.227 -1.706 1.072 1.00 0.00 N HETATM 944 CQ2 2MR A1129 -9.811 -1.371 1.059 1.00 0.00 C HETATM 945 C 2MR A1129 -17.180 -2.682 -0.522 1.00 0.00 C HETATM 946 O 2MR A1129 -18.215 -2.060 -0.259 1.00 0.00 O HETATM 947 OXT 2MR A1129 -16.389 -2.326 -1.409 1.00 0.00 O HETATM 0 HQ23 2MR A1129 -9.636 -0.507 1.700 1.00 0.00 H new HETATM 0 HQ22 2MR A1129 -9.233 -2.219 1.427 1.00 0.00 H new HETATM 0 HQ21 2MR A1129 -9.502 -1.136 0.040 1.00 0.00 H new HETATM 0 HQ13 2MR A1129 -9.602 -2.651 3.602 1.00 0.00 H new HETATM 0 HQ12 2MR A1129 -10.010 -0.942 3.883 1.00 0.00 H new HETATM 0 HQ11 2MR A1129 -10.413 -2.166 5.110 1.00 0.00 H new HETATM 0 HH2 2MR A1129 -11.680 -1.667 0.159 1.00 0.00 H new HETATM 0 HG3 2MR A1129 -15.967 -1.865 1.757 1.00 0.00 H new HETATM 0 HG2 2MR A1129 -16.369 -3.169 2.856 1.00 0.00 H new HETATM 0 HE 2MR A1129 -13.576 -2.216 0.830 1.00 0.00 H new HETATM 0 HD3 2MR A1129 -14.346 -1.963 3.571 1.00 0.00 H new HETATM 0 HD2 2MR A1129 -14.011 -3.649 3.231 1.00 0.00 H new HETATM 0 HB3 2MR A1129 -15.296 -4.795 1.364 1.00 0.00 H new HETATM 0 HB2 2MR A1129 -14.800 -3.507 0.284 1.00 0.00 H new HETATM 0 HA 2MR A1129 -17.676 -4.159 0.946 1.00 0.00 H new HETATM 0 H2 2MR A1129 -17.613 -5.218 -1.339 1.00 0.00 H new HETATM 0 H 2MR A1129 -15.949 -5.543 -0.844 1.00 0.00 H new