USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 494 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 Set 1.1: A 127 TYR OH : rot -154:sc= 0.673 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.166 K(o=0.51,f=-3.8!) USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 88 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 91 GLN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.99) USER MOD Single : A 93 LYS NZ :NH3+ -128:sc= 1.13 (180deg=0.676) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -1:sc= 1.21 USER MOD Single : A 99 SER OG : rot 130:sc= -2.07! USER MOD Single : A 103 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 107 CYS SG : rot 54:sc= 0.134 USER MOD Single : A 109 TYR OH : rot 31:sc= 1.22 USER MOD Single : A 115 SER OG : rot -1:sc= 0.376 USER MOD Single : A 119 LYS NZ :NH3+ 139:sc= 1.12 (180deg=-0.111) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 123 CYS SG : rot -15:sc= -4.41! USER MOD Single : A 130 TYR OH : rot -141:sc= 0.128 USER MOD Single : A 132 ASN : amide:sc= -3.05! C(o=-3.1!,f=-2.4!) USER MOD Single : A 137 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.061) USER MOD Single : A 139 SER OG : rot -103:sc= 0.121 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD Single : A1148 2MR OXT : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -15.870 -10.203 -9.406 1.00 0.00 N ATOM 2 CA ASN A 84 -15.119 -9.518 -8.354 1.00 0.00 C ATOM 3 C ASN A 84 -13.949 -10.362 -7.834 1.00 0.00 C ATOM 4 O ASN A 84 -13.257 -9.946 -6.903 1.00 0.00 O ATOM 5 CB ASN A 84 -16.028 -9.072 -7.177 1.00 0.00 C ATOM 6 CG ASN A 84 -16.672 -10.221 -6.411 1.00 0.00 C ATOM 7 OD1 ASN A 84 -16.090 -10.757 -5.468 1.00 0.00 O ATOM 8 ND2 ASN A 84 -17.884 -10.568 -6.763 1.00 0.00 N ATOM 0 HA ASN A 84 -14.707 -8.621 -8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.437 -8.475 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -16.814 -8.424 -7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.373 -11.302 -6.251 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -18.339 -10.104 -7.549 1.00 0.00 H new ATOM 17 N THR A 85 -13.701 -11.530 -8.431 1.00 0.00 N ATOM 18 CA THR A 85 -12.586 -12.366 -8.023 1.00 0.00 C ATOM 19 C THR A 85 -11.273 -11.648 -8.366 1.00 0.00 C ATOM 20 O THR A 85 -11.086 -11.217 -9.512 1.00 0.00 O ATOM 21 CB THR A 85 -12.641 -13.717 -8.749 1.00 0.00 C ATOM 22 OG1 THR A 85 -13.967 -14.257 -8.622 1.00 0.00 O ATOM 23 CG2 THR A 85 -11.643 -14.700 -8.149 1.00 0.00 C ATOM 0 H THR A 85 -14.259 -11.911 -9.195 1.00 0.00 H new ATOM 0 HA THR A 85 -12.643 -12.545 -6.949 1.00 0.00 H new ATOM 0 HB THR A 85 -12.387 -13.563 -9.798 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.014 -15.120 -9.084 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.702 -15.649 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.635 -14.296 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 85 -11.877 -14.859 -7.096 1.00 0.00 H new ATOM 31 N ALA A 86 -10.425 -11.441 -7.345 1.00 0.00 N ATOM 32 CA ALA A 86 -9.123 -10.729 -7.451 1.00 0.00 C ATOM 33 C ALA A 86 -9.320 -9.219 -7.627 1.00 0.00 C ATOM 34 O ALA A 86 -8.376 -8.438 -7.569 1.00 0.00 O ATOM 35 CB ALA A 86 -8.240 -11.304 -8.554 1.00 0.00 C ATOM 0 H ALA A 86 -10.622 -11.768 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.600 -10.888 -6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.301 -10.752 -8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.035 -12.354 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.752 -11.217 -9.512 1.00 0.00 H new ATOM 41 N ALA A 87 -10.554 -8.825 -7.823 1.00 0.00 N ATOM 42 CA ALA A 87 -10.925 -7.439 -8.007 1.00 0.00 C ATOM 43 C ALA A 87 -11.585 -6.906 -6.748 1.00 0.00 C ATOM 44 O ALA A 87 -12.086 -5.786 -6.709 1.00 0.00 O ATOM 45 CB ALA A 87 -11.860 -7.311 -9.190 1.00 0.00 C ATOM 0 H ALA A 87 -11.345 -9.468 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.029 -6.851 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.136 -6.265 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.361 -7.673 -10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.757 -7.903 -9.010 1.00 0.00 H new ATOM 51 N SER A 88 -11.562 -7.709 -5.714 1.00 0.00 N ATOM 52 CA SER A 88 -12.123 -7.349 -4.439 1.00 0.00 C ATOM 53 C SER A 88 -10.946 -7.055 -3.505 1.00 0.00 C ATOM 54 O SER A 88 -11.059 -7.007 -2.284 1.00 0.00 O ATOM 55 CB SER A 88 -12.989 -8.505 -3.919 1.00 0.00 C ATOM 56 OG SER A 88 -13.812 -8.112 -2.832 1.00 0.00 O ATOM 0 H SER A 88 -11.148 -8.641 -5.736 1.00 0.00 H new ATOM 0 HA SER A 88 -12.766 -6.472 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.615 -8.881 -4.729 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.345 -9.327 -3.606 1.00 0.00 H new ATOM 0 HG SER A 88 -14.347 -8.877 -2.533 1.00 0.00 H new ATOM 62 N LEU A 89 -9.820 -6.798 -4.133 1.00 0.00 N ATOM 63 CA LEU A 89 -8.570 -6.494 -3.479 1.00 0.00 C ATOM 64 C LEU A 89 -8.497 -4.953 -3.343 1.00 0.00 C ATOM 65 O LEU A 89 -7.452 -4.349 -3.267 1.00 0.00 O ATOM 66 CB LEU A 89 -7.449 -7.090 -4.375 1.00 0.00 C ATOM 67 CG LEU A 89 -6.085 -7.428 -3.732 1.00 0.00 C ATOM 68 CD1 LEU A 89 -5.367 -8.433 -4.594 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.211 -6.204 -3.592 1.00 0.00 C ATOM 0 H LEU A 89 -9.749 -6.795 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.467 -6.919 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.837 -8.003 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.266 -6.386 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.277 -7.830 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.404 -8.675 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.968 -9.339 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.209 -8.013 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.262 -6.485 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.027 -5.774 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.712 -5.469 -2.963 1.00 0.00 H new ATOM 81 N GLN A 90 -9.657 -4.341 -3.320 1.00 0.00 N ATOM 82 CA GLN A 90 -9.762 -2.909 -3.175 1.00 0.00 C ATOM 83 C GLN A 90 -10.155 -2.592 -1.742 1.00 0.00 C ATOM 84 O GLN A 90 -9.997 -1.466 -1.271 1.00 0.00 O ATOM 85 CB GLN A 90 -10.834 -2.366 -4.113 1.00 0.00 C ATOM 86 CG GLN A 90 -10.677 -2.774 -5.562 1.00 0.00 C ATOM 87 CD GLN A 90 -11.842 -2.319 -6.405 1.00 0.00 C ATOM 88 OE1 GLN A 90 -12.963 -2.213 -5.928 1.00 0.00 O ATOM 89 NE2 GLN A 90 -11.606 -2.073 -7.654 1.00 0.00 N ATOM 0 H GLN A 90 -10.553 -4.821 -3.401 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.805 -2.449 -3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.809 -2.701 -3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.830 -1.278 -4.054 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.754 -2.352 -5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.585 -3.858 -5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.660 -2.170 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.366 -1.782 -8.269 1.00 0.00 H new ATOM 98 N GLN A 91 -10.688 -3.583 -1.061 1.00 0.00 N ATOM 99 CA GLN A 91 -11.136 -3.406 0.295 1.00 0.00 C ATOM 100 C GLN A 91 -10.014 -3.660 1.298 1.00 0.00 C ATOM 101 O GLN A 91 -9.523 -4.783 1.460 1.00 0.00 O ATOM 102 CB GLN A 91 -12.379 -4.256 0.603 1.00 0.00 C ATOM 103 CG GLN A 91 -12.219 -5.728 0.322 1.00 0.00 C ATOM 104 CD GLN A 91 -13.419 -6.537 0.727 1.00 0.00 C ATOM 105 OE1 GLN A 91 -13.504 -7.021 1.858 1.00 0.00 O ATOM 106 NE2 GLN A 91 -14.336 -6.710 -0.173 1.00 0.00 N ATOM 0 H GLN A 91 -10.820 -4.524 -1.431 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.431 -2.362 0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.640 -4.126 1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.216 -3.877 0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.034 -5.871 -0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.342 -6.100 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.228 -6.293 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.165 -7.263 0.043 1.00 0.00 H new ATOM 115 N TRP A 92 -9.585 -2.605 1.915 1.00 0.00 N ATOM 116 CA TRP A 92 -8.561 -2.640 2.931 1.00 0.00 C ATOM 117 C TRP A 92 -9.035 -1.826 4.115 1.00 0.00 C ATOM 118 O TRP A 92 -10.017 -1.071 3.997 1.00 0.00 O ATOM 119 CB TRP A 92 -7.253 -2.050 2.410 1.00 0.00 C ATOM 120 CG TRP A 92 -6.652 -2.783 1.256 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.938 -2.603 -0.062 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.640 -3.794 1.313 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.184 -3.445 -0.826 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.374 -4.186 -0.009 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.934 -4.410 2.353 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.435 -5.156 -0.318 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.999 -5.375 2.035 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.758 -5.736 0.712 1.00 0.00 C ATOM 0 H TRP A 92 -9.941 -1.668 1.727 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.380 -3.676 3.218 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.430 -1.016 2.114 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.530 -2.029 3.225 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.658 -1.896 -0.448 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.218 -3.512 -1.843 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.117 -4.136 3.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.246 -5.443 -1.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.445 -5.858 2.826 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.018 -6.493 0.498 1.00 0.00 H new ATOM 139 N LYS A 93 -8.403 -1.993 5.253 1.00 0.00 N ATOM 140 CA LYS A 93 -8.752 -1.214 6.418 1.00 0.00 C ATOM 141 C LYS A 93 -7.485 -0.646 7.031 1.00 0.00 C ATOM 142 O LYS A 93 -6.392 -1.186 6.813 1.00 0.00 O ATOM 143 CB LYS A 93 -9.519 -2.057 7.434 1.00 0.00 C ATOM 144 CG LYS A 93 -8.668 -3.049 8.186 1.00 0.00 C ATOM 145 CD LYS A 93 -9.520 -4.036 8.966 1.00 0.00 C ATOM 146 CE LYS A 93 -10.242 -5.021 8.050 1.00 0.00 C ATOM 147 NZ LYS A 93 -9.306 -5.956 7.382 1.00 0.00 N ATOM 0 H LYS A 93 -7.645 -2.660 5.397 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.407 -0.396 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.000 -1.392 8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.313 -2.596 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.033 -3.590 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.007 -2.517 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.889 -4.586 9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.253 -3.491 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -10.967 -5.590 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.801 -4.469 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.478 -5.946 6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.327 -5.662 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.456 -6.918 7.748 1.00 0.00 H new ATOM 161 N VAL A 94 -7.620 0.433 7.761 1.00 0.00 N ATOM 162 CA VAL A 94 -6.496 1.049 8.428 1.00 0.00 C ATOM 163 C VAL A 94 -5.915 0.085 9.471 1.00 0.00 C ATOM 164 O VAL A 94 -6.665 -0.551 10.240 1.00 0.00 O ATOM 165 CB VAL A 94 -6.900 2.400 9.091 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.749 3.013 9.862 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.403 3.375 8.045 1.00 0.00 C ATOM 0 H VAL A 94 -8.509 0.910 7.911 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.732 1.267 7.682 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.702 2.189 9.799 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.071 3.954 10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.431 2.327 10.648 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.916 3.200 9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.681 4.313 8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.617 3.561 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.274 2.953 7.543 1.00 0.00 H new ATOM 177 N GLY A 95 -4.608 -0.070 9.448 1.00 0.00 N ATOM 178 CA GLY A 95 -3.946 -0.924 10.394 1.00 0.00 C ATOM 179 C GLY A 95 -3.582 -2.267 9.807 1.00 0.00 C ATOM 180 O GLY A 95 -3.066 -3.142 10.511 1.00 0.00 O ATOM 0 H GLY A 95 -3.987 0.388 8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.042 -0.431 10.753 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.593 -1.073 11.259 1.00 0.00 H new ATOM 184 N ASP A 96 -3.840 -2.443 8.533 1.00 0.00 N ATOM 185 CA ASP A 96 -3.528 -3.701 7.865 1.00 0.00 C ATOM 186 C ASP A 96 -2.241 -3.566 7.110 1.00 0.00 C ATOM 187 O ASP A 96 -1.957 -2.503 6.539 1.00 0.00 O ATOM 188 CB ASP A 96 -4.649 -4.160 6.900 1.00 0.00 C ATOM 189 CG ASP A 96 -5.850 -4.817 7.559 1.00 0.00 C ATOM 190 OD1 ASP A 96 -5.905 -4.920 8.811 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.776 -5.281 6.817 1.00 0.00 O ATOM 0 H ASP A 96 -4.265 -1.737 7.932 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.437 -4.462 8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.995 -3.295 6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.222 -4.860 6.182 1.00 0.00 H new ATOM 196 N LYS A 97 -1.428 -4.585 7.157 1.00 0.00 N ATOM 197 CA LYS A 97 -0.201 -4.599 6.421 1.00 0.00 C ATOM 198 C LYS A 97 -0.453 -5.041 5.006 1.00 0.00 C ATOM 199 O LYS A 97 -1.315 -5.888 4.756 1.00 0.00 O ATOM 200 CB LYS A 97 0.747 -5.522 7.109 1.00 0.00 C ATOM 201 CG LYS A 97 0.979 -5.090 8.544 1.00 0.00 C ATOM 202 CD LYS A 97 1.691 -6.126 9.342 1.00 0.00 C ATOM 203 CE LYS A 97 3.144 -6.262 8.926 1.00 0.00 C ATOM 204 NZ LYS A 97 3.880 -7.233 9.771 1.00 0.00 N ATOM 0 H LYS A 97 -1.600 -5.427 7.707 1.00 0.00 H new ATOM 0 HA LYS A 97 0.230 -3.599 6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.350 -6.537 7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.696 -5.541 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.558 -4.167 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.020 -4.869 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.639 -5.868 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.188 -7.086 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.194 -6.579 7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.630 -5.288 8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.868 -7.293 9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.856 -6.919 10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.433 -8.169 9.694 1.00 0.00 H new ATOM 218 N CYS A 98 0.284 -4.491 4.096 1.00 0.00 N ATOM 219 CA CYS A 98 0.112 -4.770 2.710 1.00 0.00 C ATOM 220 C CYS A 98 1.436 -4.549 1.983 1.00 0.00 C ATOM 221 O CYS A 98 2.514 -4.571 2.593 1.00 0.00 O ATOM 222 CB CYS A 98 -0.977 -3.843 2.143 1.00 0.00 C ATOM 223 SG CYS A 98 -0.628 -2.082 2.346 1.00 0.00 S ATOM 0 H CYS A 98 1.031 -3.827 4.299 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.196 -5.806 2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.104 -4.057 1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.924 -4.073 2.630 1.00 0.00 H new ATOM 0 HG CYS A 98 0.502 -1.933 2.971 1.00 0.00 H new ATOM 229 N SER A 99 1.369 -4.409 0.709 1.00 0.00 N ATOM 230 CA SER A 99 2.508 -4.088 -0.091 1.00 0.00 C ATOM 231 C SER A 99 2.141 -3.021 -1.097 1.00 0.00 C ATOM 232 O SER A 99 0.995 -2.951 -1.543 1.00 0.00 O ATOM 233 CB SER A 99 3.057 -5.346 -0.730 1.00 0.00 C ATOM 234 OG SER A 99 3.482 -6.223 0.296 1.00 0.00 O ATOM 0 H SER A 99 0.506 -4.515 0.176 1.00 0.00 H new ATOM 0 HA SER A 99 3.305 -3.677 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.293 -5.823 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.890 -5.103 -1.390 1.00 0.00 H new ATOM 0 HG SER A 99 3.107 -7.115 0.140 1.00 0.00 H new ATOM 240 N ALA A 100 3.081 -2.175 -1.404 1.00 0.00 N ATOM 241 CA ALA A 100 2.853 -1.063 -2.278 1.00 0.00 C ATOM 242 C ALA A 100 4.021 -0.878 -3.217 1.00 0.00 C ATOM 243 O ALA A 100 5.116 -1.412 -2.979 1.00 0.00 O ATOM 244 CB ALA A 100 2.626 0.197 -1.464 1.00 0.00 C ATOM 0 H ALA A 100 4.036 -2.239 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 100 1.963 -1.264 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.453 1.038 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.757 0.063 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.504 0.397 -0.851 1.00 0.00 H new ATOM 250 N ILE A 101 3.777 -0.167 -4.288 1.00 0.00 N ATOM 251 CA ILE A 101 4.786 0.130 -5.272 1.00 0.00 C ATOM 252 C ILE A 101 5.419 1.441 -4.936 1.00 0.00 C ATOM 253 O ILE A 101 4.766 2.493 -5.016 1.00 0.00 O ATOM 254 CB ILE A 101 4.187 0.185 -6.704 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.840 -1.210 -7.193 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.119 0.894 -7.703 1.00 0.00 C ATOM 257 CD1 ILE A 101 5.026 -2.044 -7.608 1.00 0.00 C ATOM 0 H ILE A 101 2.861 0.227 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 101 5.531 -0.665 -5.256 1.00 0.00 H new ATOM 0 HB ILE A 101 3.273 0.776 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.303 -1.734 -6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.159 -1.125 -8.039 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.654 0.906 -8.689 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.295 1.918 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.068 0.361 -7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.683 -3.023 -7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.554 -1.547 -8.422 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.700 -2.166 -6.760 1.00 0.00 H new ATOM 269 N TRP A 102 6.661 1.383 -4.564 1.00 0.00 N ATOM 270 CA TRP A 102 7.389 2.561 -4.217 1.00 0.00 C ATOM 271 C TRP A 102 7.596 3.351 -5.444 1.00 0.00 C ATOM 272 O TRP A 102 8.160 2.862 -6.401 1.00 0.00 O ATOM 273 CB TRP A 102 8.725 2.212 -3.619 1.00 0.00 C ATOM 274 CG TRP A 102 9.364 3.350 -2.898 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.735 4.352 -2.226 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.749 3.575 -2.734 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.659 5.188 -1.670 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.900 4.726 -1.957 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.873 2.921 -3.166 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.143 5.221 -1.606 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.098 3.420 -2.820 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.223 4.558 -2.045 1.00 0.00 C ATOM 0 H TRP A 102 7.197 0.518 -4.493 1.00 0.00 H new ATOM 0 HA TRP A 102 6.824 3.129 -3.478 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.599 1.378 -2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.392 1.872 -4.411 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.664 4.468 -2.145 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.449 6.025 -1.126 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.793 2.028 -3.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.240 6.110 -1.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.989 2.913 -3.160 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.208 4.920 -1.789 1.00 0.00 H new ATOM 293 N SER A 103 7.171 4.563 -5.403 1.00 0.00 N ATOM 294 CA SER A 103 7.239 5.456 -6.504 1.00 0.00 C ATOM 295 C SER A 103 8.657 5.680 -6.976 1.00 0.00 C ATOM 296 O SER A 103 8.897 5.945 -8.146 1.00 0.00 O ATOM 297 CB SER A 103 6.635 6.748 -6.072 1.00 0.00 C ATOM 298 OG SER A 103 5.258 6.580 -5.759 1.00 0.00 O ATOM 0 H SER A 103 6.750 4.976 -4.570 1.00 0.00 H new ATOM 0 HA SER A 103 6.697 5.025 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.167 7.130 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.745 7.489 -6.864 1.00 0.00 H new ATOM 0 HG SER A 103 4.880 7.439 -5.476 1.00 0.00 H new ATOM 304 N GLU A 104 9.579 5.494 -6.082 1.00 0.00 N ATOM 305 CA GLU A 104 10.948 5.788 -6.361 1.00 0.00 C ATOM 306 C GLU A 104 11.653 4.678 -7.127 1.00 0.00 C ATOM 307 O GLU A 104 12.420 4.951 -8.043 1.00 0.00 O ATOM 308 CB GLU A 104 11.687 6.127 -5.104 1.00 0.00 C ATOM 309 CG GLU A 104 11.116 7.319 -4.370 1.00 0.00 C ATOM 310 CD GLU A 104 12.167 8.095 -3.635 1.00 0.00 C ATOM 311 OE1 GLU A 104 13.087 8.618 -4.293 1.00 0.00 O ATOM 312 OE2 GLU A 104 12.075 8.240 -2.397 1.00 0.00 O ATOM 0 H GLU A 104 9.404 5.136 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 104 10.950 6.660 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.675 5.262 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.730 6.327 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.615 7.975 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.359 6.979 -3.664 1.00 0.00 H new ATOM 319 N ASP A 105 11.410 3.435 -6.764 1.00 0.00 N ATOM 320 CA ASP A 105 12.088 2.337 -7.480 1.00 0.00 C ATOM 321 C ASP A 105 11.132 1.634 -8.391 1.00 0.00 C ATOM 322 O ASP A 105 11.530 0.887 -9.272 1.00 0.00 O ATOM 323 CB ASP A 105 12.696 1.285 -6.529 1.00 0.00 C ATOM 324 CG ASP A 105 13.858 1.767 -5.692 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.520 2.745 -6.054 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.148 1.144 -4.650 1.00 0.00 O ATOM 0 H ASP A 105 10.780 3.152 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 105 12.895 2.804 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.912 0.927 -5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.025 0.431 -7.121 1.00 0.00 H new ATOM 331 N GLY A 106 9.859 1.864 -8.172 1.00 0.00 N ATOM 332 CA GLY A 106 8.823 1.228 -8.971 1.00 0.00 C ATOM 333 C GLY A 106 8.589 -0.201 -8.526 1.00 0.00 C ATOM 334 O GLY A 106 7.753 -0.905 -9.069 1.00 0.00 O ATOM 0 H GLY A 106 9.509 2.488 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.896 1.795 -8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.111 1.242 -10.022 1.00 0.00 H new ATOM 338 N CYS A 107 9.345 -0.611 -7.541 1.00 0.00 N ATOM 339 CA CYS A 107 9.331 -1.923 -7.031 1.00 0.00 C ATOM 340 C CYS A 107 8.325 -2.092 -5.903 1.00 0.00 C ATOM 341 O CYS A 107 7.845 -1.107 -5.318 1.00 0.00 O ATOM 342 CB CYS A 107 10.721 -2.238 -6.561 1.00 0.00 C ATOM 343 SG CYS A 107 11.969 -2.260 -7.854 1.00 0.00 S ATOM 0 H CYS A 107 10.009 -0.000 -7.065 1.00 0.00 H new ATOM 0 HA CYS A 107 9.020 -2.614 -7.814 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.010 -1.503 -5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.711 -3.211 -6.069 1.00 0.00 H new ATOM 0 HG CYS A 107 11.928 -1.142 -8.516 1.00 0.00 H new ATOM 349 N ILE A 108 8.032 -3.333 -5.598 1.00 0.00 N ATOM 350 CA ILE A 108 7.101 -3.689 -4.559 1.00 0.00 C ATOM 351 C ILE A 108 7.815 -3.798 -3.232 1.00 0.00 C ATOM 352 O ILE A 108 8.862 -4.446 -3.122 1.00 0.00 O ATOM 353 CB ILE A 108 6.431 -5.036 -4.850 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.870 -5.037 -6.269 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.339 -5.286 -3.819 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.153 -6.305 -6.682 1.00 0.00 C ATOM 0 H ILE A 108 8.442 -4.137 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 108 6.343 -2.907 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 108 7.162 -5.842 -4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.179 -4.200 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.689 -4.859 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.859 -6.243 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.778 -5.304 -2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.597 -4.489 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.793 -6.203 -7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.841 -7.148 -6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.308 -6.478 -6.016 1.00 0.00 H new ATOM 368 N TYR A 109 7.259 -3.170 -2.251 1.00 0.00 N ATOM 369 CA TYR A 109 7.791 -3.163 -0.918 1.00 0.00 C ATOM 370 C TYR A 109 6.655 -3.274 0.080 1.00 0.00 C ATOM 371 O TYR A 109 5.519 -2.877 -0.230 1.00 0.00 O ATOM 372 CB TYR A 109 8.562 -1.886 -0.661 1.00 0.00 C ATOM 373 CG TYR A 109 9.838 -1.721 -1.456 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.834 -1.097 -2.692 1.00 0.00 C ATOM 375 CD2 TYR A 109 11.049 -2.137 -0.938 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.002 -0.899 -3.390 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.224 -1.934 -1.625 1.00 0.00 C ATOM 378 CZ TYR A 109 12.198 -1.313 -2.849 1.00 0.00 C ATOM 379 OH TYR A 109 13.375 -1.111 -3.531 1.00 0.00 O ATOM 0 H TYR A 109 6.399 -2.631 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 109 8.467 -4.011 -0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.910 -1.040 -0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.807 -1.838 0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.899 -0.760 -3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.074 -2.630 0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.981 -0.421 -4.358 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.163 -2.262 -1.203 1.00 0.00 H new ATOM 0 HH TYR A 109 13.305 -0.296 -4.070 1.00 0.00 H new ATOM 389 N PRO A 110 6.916 -3.833 1.266 1.00 0.00 N ATOM 390 CA PRO A 110 5.900 -3.979 2.294 1.00 0.00 C ATOM 391 C PRO A 110 5.558 -2.633 2.936 1.00 0.00 C ATOM 392 O PRO A 110 6.445 -1.823 3.243 1.00 0.00 O ATOM 393 CB PRO A 110 6.548 -4.906 3.315 1.00 0.00 C ATOM 394 CG PRO A 110 8.010 -4.687 3.158 1.00 0.00 C ATOM 395 CD PRO A 110 8.236 -4.342 1.717 1.00 0.00 C ATOM 0 HA PRO A 110 4.962 -4.366 1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.220 -4.670 4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.282 -5.946 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.354 -3.882 3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.568 -5.581 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.016 -3.589 1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.547 -5.213 1.141 1.00 0.00 H new ATOM 403 N ALA A 111 4.297 -2.399 3.143 1.00 0.00 N ATOM 404 CA ALA A 111 3.845 -1.160 3.691 1.00 0.00 C ATOM 405 C ALA A 111 2.585 -1.379 4.479 1.00 0.00 C ATOM 406 O ALA A 111 1.797 -2.243 4.153 1.00 0.00 O ATOM 407 CB ALA A 111 3.611 -0.158 2.590 1.00 0.00 C ATOM 0 H ALA A 111 3.553 -3.065 2.935 1.00 0.00 H new ATOM 0 HA ALA A 111 4.612 -0.766 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.267 0.782 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.541 0.011 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.855 -0.541 1.904 1.00 0.00 H new ATOM 413 N THR A 112 2.390 -0.608 5.487 1.00 0.00 N ATOM 414 CA THR A 112 1.242 -0.771 6.335 1.00 0.00 C ATOM 415 C THR A 112 0.312 0.424 6.175 1.00 0.00 C ATOM 416 O THR A 112 0.769 1.567 6.130 1.00 0.00 O ATOM 417 CB THR A 112 1.670 -0.916 7.806 1.00 0.00 C ATOM 418 OG1 THR A 112 2.739 -1.885 7.894 1.00 0.00 O ATOM 419 CG2 THR A 112 0.506 -1.416 8.651 1.00 0.00 C ATOM 0 H THR A 112 3.013 0.154 5.755 1.00 0.00 H new ATOM 0 HA THR A 112 0.715 -1.679 6.041 1.00 0.00 H new ATOM 0 HB THR A 112 1.996 0.058 8.172 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.018 -1.981 8.829 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.825 -1.513 9.689 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.319 -0.706 8.590 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.178 -2.387 8.280 1.00 0.00 H new ATOM 427 N ILE A 113 -0.967 0.152 6.073 1.00 0.00 N ATOM 428 CA ILE A 113 -1.982 1.169 5.882 1.00 0.00 C ATOM 429 C ILE A 113 -2.088 2.069 7.106 1.00 0.00 C ATOM 430 O ILE A 113 -2.399 1.604 8.217 1.00 0.00 O ATOM 431 CB ILE A 113 -3.339 0.514 5.610 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.216 -0.411 4.406 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.400 1.582 5.346 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.357 -1.357 4.276 1.00 0.00 C ATOM 0 H ILE A 113 -1.341 -0.796 6.121 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.693 1.778 5.025 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.642 -0.063 6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.146 0.190 3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.289 -0.979 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.360 1.102 5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.487 2.232 6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.111 2.175 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.209 -1.988 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.415 -1.982 5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.285 -0.795 4.166 1.00 0.00 H new ATOM 446 N ALA A 114 -1.825 3.329 6.899 1.00 0.00 N ATOM 447 CA ALA A 114 -1.868 4.313 7.948 1.00 0.00 C ATOM 448 C ALA A 114 -3.211 5.014 7.978 1.00 0.00 C ATOM 449 O ALA A 114 -3.753 5.264 9.034 1.00 0.00 O ATOM 450 CB ALA A 114 -0.744 5.319 7.783 1.00 0.00 C ATOM 0 H ALA A 114 -1.571 3.708 5.986 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.733 3.799 8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.793 6.055 8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.215 4.803 7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.845 5.823 6.822 1.00 0.00 H new ATOM 456 N SER A 115 -3.740 5.349 6.822 1.00 0.00 N ATOM 457 CA SER A 115 -5.032 6.017 6.725 1.00 0.00 C ATOM 458 C SER A 115 -5.617 5.779 5.347 1.00 0.00 C ATOM 459 O SER A 115 -4.870 5.625 4.395 1.00 0.00 O ATOM 460 CB SER A 115 -4.876 7.523 6.959 1.00 0.00 C ATOM 461 OG SER A 115 -4.353 7.810 8.258 1.00 0.00 O ATOM 0 H SER A 115 -3.294 5.170 5.922 1.00 0.00 H new ATOM 0 HA SER A 115 -5.697 5.611 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.214 7.941 6.201 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.844 8.011 6.842 1.00 0.00 H new ATOM 0 HG SER A 115 -4.215 6.972 8.748 1.00 0.00 H new ATOM 467 N ILE A 116 -6.936 5.743 5.249 1.00 0.00 N ATOM 468 CA ILE A 116 -7.621 5.513 3.992 1.00 0.00 C ATOM 469 C ILE A 116 -8.580 6.657 3.699 1.00 0.00 C ATOM 470 O ILE A 116 -9.354 7.070 4.574 1.00 0.00 O ATOM 471 CB ILE A 116 -8.450 4.198 4.021 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.566 2.994 4.334 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.187 3.996 2.697 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.319 1.697 4.426 1.00 0.00 C ATOM 0 H ILE A 116 -7.562 5.873 6.044 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.853 5.441 3.222 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.189 4.286 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.802 2.906 3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.048 3.170 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.761 3.070 2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.862 4.834 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.464 3.939 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.624 0.888 4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -9.065 1.765 5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.815 1.496 3.476 1.00 0.00 H new ATOM 486 N ASP A 117 -8.521 7.153 2.498 1.00 0.00 N ATOM 487 CA ASP A 117 -9.440 8.158 2.019 1.00 0.00 C ATOM 488 C ASP A 117 -10.337 7.498 1.014 1.00 0.00 C ATOM 489 O ASP A 117 -9.909 7.151 -0.091 1.00 0.00 O ATOM 490 CB ASP A 117 -8.724 9.346 1.395 1.00 0.00 C ATOM 491 CG ASP A 117 -9.703 10.433 0.965 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.287 10.320 -0.109 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.901 11.427 1.716 1.00 0.00 O ATOM 0 H ASP A 117 -7.824 6.870 1.809 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.011 8.556 2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.013 9.759 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.149 9.012 0.531 1.00 0.00 H new ATOM 498 N PHE A 118 -11.565 7.311 1.393 1.00 0.00 N ATOM 499 CA PHE A 118 -12.521 6.568 0.602 1.00 0.00 C ATOM 500 C PHE A 118 -13.022 7.363 -0.582 1.00 0.00 C ATOM 501 O PHE A 118 -13.559 6.796 -1.529 1.00 0.00 O ATOM 502 CB PHE A 118 -13.695 6.122 1.468 1.00 0.00 C ATOM 503 CG PHE A 118 -13.307 5.193 2.587 1.00 0.00 C ATOM 504 CD1 PHE A 118 -13.097 3.845 2.347 1.00 0.00 C ATOM 505 CD2 PHE A 118 -13.152 5.669 3.881 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.739 2.991 3.373 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.795 4.821 4.909 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.588 3.480 4.655 1.00 0.00 C ATOM 0 H PHE A 118 -11.944 7.671 2.269 1.00 0.00 H new ATOM 0 HA PHE A 118 -12.004 5.691 0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -14.178 7.003 1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.433 5.627 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -13.214 3.457 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.313 6.717 4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.578 1.942 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.678 5.206 5.911 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.308 2.814 5.458 1.00 0.00 H new ATOM 518 N LYS A 119 -12.826 8.668 -0.535 1.00 0.00 N ATOM 519 CA LYS A 119 -13.282 9.541 -1.602 1.00 0.00 C ATOM 520 C LYS A 119 -12.382 9.348 -2.800 1.00 0.00 C ATOM 521 O LYS A 119 -12.846 9.261 -3.943 1.00 0.00 O ATOM 522 CB LYS A 119 -13.145 10.999 -1.198 1.00 0.00 C ATOM 523 CG LYS A 119 -13.560 11.337 0.209 1.00 0.00 C ATOM 524 CD LYS A 119 -13.276 12.791 0.461 1.00 0.00 C ATOM 525 CE LYS A 119 -13.281 13.142 1.931 1.00 0.00 C ATOM 526 NZ LYS A 119 -12.243 12.398 2.685 1.00 0.00 N ATOM 0 H LYS A 119 -12.354 9.147 0.231 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.323 9.301 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.104 11.295 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.738 11.603 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.621 11.130 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.017 10.717 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.306 13.046 0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.021 13.397 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.116 14.213 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.262 12.923 2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.792 13.033 3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.683 11.600 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -11.525 12.038 2.024 1.00 0.00 H new ATOM 540 N ARG A 120 -11.086 9.247 -2.534 1.00 0.00 N ATOM 541 CA ARG A 120 -10.107 9.101 -3.603 1.00 0.00 C ATOM 542 C ARG A 120 -9.809 7.640 -3.834 1.00 0.00 C ATOM 543 O ARG A 120 -9.131 7.282 -4.804 1.00 0.00 O ATOM 544 CB ARG A 120 -8.799 9.787 -3.218 1.00 0.00 C ATOM 545 CG ARG A 120 -8.898 11.251 -2.829 1.00 0.00 C ATOM 546 CD ARG A 120 -9.428 12.117 -3.943 1.00 0.00 C ATOM 547 NE ARG A 120 -9.343 13.534 -3.580 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.225 14.475 -3.912 1.00 0.00 C ATOM 549 NH1 ARG A 120 -11.333 14.155 -4.579 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.006 15.738 -3.559 1.00 0.00 N ATOM 0 H ARG A 120 -10.690 9.263 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.521 9.554 -4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.358 9.240 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.108 9.701 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.548 11.348 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.913 11.611 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.859 11.935 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.464 11.852 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.538 13.825 -3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.510 13.185 -4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -12.005 14.881 -4.830 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.165 15.983 -3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.679 16.462 -3.811 1.00 0.00 H new ATOM 564 N GLU A 121 -10.341 6.804 -2.941 1.00 0.00 N ATOM 565 CA GLU A 121 -10.112 5.360 -2.926 1.00 0.00 C ATOM 566 C GLU A 121 -8.620 5.067 -2.735 1.00 0.00 C ATOM 567 O GLU A 121 -8.089 4.040 -3.182 1.00 0.00 O ATOM 568 CB GLU A 121 -10.660 4.689 -4.185 1.00 0.00 C ATOM 569 CG GLU A 121 -12.159 4.858 -4.374 1.00 0.00 C ATOM 570 CD GLU A 121 -12.676 4.068 -5.539 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.517 4.510 -6.699 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.234 2.973 -5.330 1.00 0.00 O ATOM 0 H GLU A 121 -10.957 7.120 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.657 4.935 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.146 5.098 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.427 3.625 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.675 4.544 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.388 5.913 -4.523 1.00 0.00 H new ATOM 579 N THR A 122 -7.964 5.945 -2.016 1.00 0.00 N ATOM 580 CA THR A 122 -6.562 5.814 -1.772 1.00 0.00 C ATOM 581 C THR A 122 -6.286 5.695 -0.293 1.00 0.00 C ATOM 582 O THR A 122 -7.153 5.946 0.529 1.00 0.00 O ATOM 583 CB THR A 122 -5.780 7.007 -2.337 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.305 8.238 -1.793 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.857 7.047 -3.850 1.00 0.00 C ATOM 0 H THR A 122 -8.392 6.766 -1.588 1.00 0.00 H new ATOM 0 HA THR A 122 -6.231 4.907 -2.278 1.00 0.00 H new ATOM 0 HB THR A 122 -4.735 6.893 -2.050 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.801 8.997 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.293 7.903 -4.220 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.435 6.130 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.898 7.137 -4.159 1.00 0.00 H new ATOM 593 N CYS A 123 -5.103 5.324 0.030 1.00 0.00 N ATOM 594 CA CYS A 123 -4.677 5.207 1.376 1.00 0.00 C ATOM 595 C CYS A 123 -3.210 5.523 1.471 1.00 0.00 C ATOM 596 O CYS A 123 -2.464 5.334 0.511 1.00 0.00 O ATOM 597 CB CYS A 123 -4.945 3.802 1.870 1.00 0.00 C ATOM 598 SG CYS A 123 -4.268 2.532 0.790 1.00 0.00 S ATOM 0 H CYS A 123 -4.383 5.086 -0.653 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.229 5.912 1.998 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.520 3.687 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.021 3.655 1.963 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.954 3.059 -0.356 1.00 0.00 H new ATOM 604 N VAL A 124 -2.801 6.002 2.592 1.00 0.00 N ATOM 605 CA VAL A 124 -1.420 6.271 2.830 1.00 0.00 C ATOM 606 C VAL A 124 -0.847 5.083 3.547 1.00 0.00 C ATOM 607 O VAL A 124 -1.455 4.577 4.504 1.00 0.00 O ATOM 608 CB VAL A 124 -1.208 7.558 3.669 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.270 7.768 3.974 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.765 8.768 2.935 1.00 0.00 C ATOM 0 H VAL A 124 -3.415 6.221 3.377 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.917 6.439 1.877 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.743 7.439 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.394 8.676 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.650 6.915 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.824 7.862 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.608 9.663 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.254 8.880 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.832 8.629 2.762 1.00 0.00 H new ATOM 620 N VAL A 125 0.278 4.619 3.090 1.00 0.00 N ATOM 621 CA VAL A 125 0.901 3.473 3.665 1.00 0.00 C ATOM 622 C VAL A 125 2.315 3.820 4.098 1.00 0.00 C ATOM 623 O VAL A 125 2.964 4.691 3.506 1.00 0.00 O ATOM 624 CB VAL A 125 0.948 2.266 2.669 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.442 1.851 2.201 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.851 2.566 1.476 1.00 0.00 C ATOM 0 H VAL A 125 0.787 5.028 2.307 1.00 0.00 H new ATOM 0 HA VAL A 125 0.303 3.175 4.526 1.00 0.00 H new ATOM 0 HB VAL A 125 1.372 1.424 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.358 1.011 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.043 1.556 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.921 2.689 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.862 1.708 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.473 3.439 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.864 2.765 1.827 1.00 0.00 H new ATOM 636 N VAL A 126 2.758 3.179 5.135 1.00 0.00 N ATOM 637 CA VAL A 126 4.092 3.348 5.648 1.00 0.00 C ATOM 638 C VAL A 126 4.918 2.139 5.305 1.00 0.00 C ATOM 639 O VAL A 126 4.574 1.021 5.686 1.00 0.00 O ATOM 640 CB VAL A 126 4.103 3.569 7.183 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.536 3.538 7.730 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.431 4.893 7.523 1.00 0.00 C ATOM 0 H VAL A 126 2.196 2.510 5.662 1.00 0.00 H new ATOM 0 HA VAL A 126 4.516 4.239 5.184 1.00 0.00 H new ATOM 0 HB VAL A 126 3.546 2.759 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.517 3.695 8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.988 2.570 7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.123 4.326 7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.443 5.040 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.969 5.709 7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.400 4.879 7.170 1.00 0.00 H new ATOM 652 N TYR A 127 5.983 2.362 4.579 1.00 0.00 N ATOM 653 CA TYR A 127 6.875 1.310 4.167 1.00 0.00 C ATOM 654 C TYR A 127 7.612 0.751 5.342 1.00 0.00 C ATOM 655 O TYR A 127 8.412 1.450 5.999 1.00 0.00 O ATOM 656 CB TYR A 127 7.837 1.792 3.109 1.00 0.00 C ATOM 657 CG TYR A 127 7.160 2.144 1.823 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.730 1.141 0.965 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.948 3.462 1.455 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.107 1.440 -0.215 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.328 3.765 0.273 1.00 0.00 C ATOM 662 CZ TYR A 127 5.908 2.751 -0.558 1.00 0.00 C ATOM 663 OH TYR A 127 5.244 3.045 -1.724 1.00 0.00 O ATOM 0 H TYR A 127 6.258 3.289 4.254 1.00 0.00 H new ATOM 0 HA TYR A 127 6.273 0.513 3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.372 2.665 3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.581 1.018 2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.890 0.107 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.275 4.259 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.775 0.649 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.169 4.796 -0.007 1.00 0.00 H new ATOM 0 HH TYR A 127 5.523 3.927 -2.046 1.00 0.00 H new ATOM 673 N THR A 128 7.352 -0.483 5.594 1.00 0.00 N ATOM 674 CA THR A 128 7.861 -1.173 6.716 1.00 0.00 C ATOM 675 C THR A 128 9.359 -1.441 6.558 1.00 0.00 C ATOM 676 O THR A 128 9.812 -1.948 5.528 1.00 0.00 O ATOM 677 CB THR A 128 7.094 -2.486 6.833 1.00 0.00 C ATOM 678 OG1 THR A 128 5.684 -2.191 6.907 1.00 0.00 O ATOM 679 CG2 THR A 128 7.525 -3.278 8.047 1.00 0.00 C ATOM 0 H THR A 128 6.756 -1.058 4.999 1.00 0.00 H new ATOM 0 HA THR A 128 7.734 -0.572 7.617 1.00 0.00 H new ATOM 0 HB THR A 128 7.308 -3.097 5.956 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.178 -3.027 6.981 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.956 -4.207 8.096 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.588 -3.507 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.342 -2.692 8.948 1.00 0.00 H new ATOM 687 N GLY A 129 10.112 -1.090 7.573 1.00 0.00 N ATOM 688 CA GLY A 129 11.526 -1.297 7.564 1.00 0.00 C ATOM 689 C GLY A 129 12.267 -0.076 7.110 1.00 0.00 C ATOM 690 O GLY A 129 13.478 0.024 7.300 1.00 0.00 O ATOM 0 H GLY A 129 9.755 -0.654 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.859 -1.572 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.766 -2.133 6.907 1.00 0.00 H new ATOM 694 N TYR A 130 11.550 0.856 6.514 1.00 0.00 N ATOM 695 CA TYR A 130 12.171 2.051 5.998 1.00 0.00 C ATOM 696 C TYR A 130 11.635 3.284 6.706 1.00 0.00 C ATOM 697 O TYR A 130 12.392 4.184 7.072 1.00 0.00 O ATOM 698 CB TYR A 130 11.941 2.163 4.504 1.00 0.00 C ATOM 699 CG TYR A 130 12.416 0.971 3.701 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.759 0.786 3.439 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.516 0.042 3.194 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.201 -0.288 2.696 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.949 -1.034 2.448 1.00 0.00 C ATOM 704 CZ TYR A 130 13.295 -1.192 2.202 1.00 0.00 C ATOM 705 OH TYR A 130 13.742 -2.273 1.466 1.00 0.00 O ATOM 0 H TYR A 130 10.540 0.806 6.377 1.00 0.00 H new ATOM 0 HA TYR A 130 13.243 1.986 6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.875 2.304 4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.448 3.056 4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.477 1.496 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.460 0.164 3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.256 -0.417 2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.238 -1.748 2.059 1.00 0.00 H new ATOM 0 HH TYR A 130 13.123 -2.444 0.726 1.00 0.00 H new ATOM 715 N GLY A 131 10.331 3.339 6.883 1.00 0.00 N ATOM 716 CA GLY A 131 9.749 4.438 7.604 1.00 0.00 C ATOM 717 C GLY A 131 9.195 5.543 6.724 1.00 0.00 C ATOM 718 O GLY A 131 8.843 6.609 7.226 1.00 0.00 O ATOM 0 H GLY A 131 9.667 2.644 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.947 4.057 8.236 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.503 4.862 8.267 1.00 0.00 H new ATOM 722 N ASN A 132 9.095 5.311 5.434 1.00 0.00 N ATOM 723 CA ASN A 132 8.516 6.334 4.550 1.00 0.00 C ATOM 724 C ASN A 132 7.062 6.107 4.429 1.00 0.00 C ATOM 725 O ASN A 132 6.579 5.017 4.709 1.00 0.00 O ATOM 726 CB ASN A 132 9.107 6.384 3.126 1.00 0.00 C ATOM 727 CG ASN A 132 10.478 7.016 3.019 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.853 7.857 3.827 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.208 6.660 1.988 1.00 0.00 N ATOM 0 H ASN A 132 9.394 4.453 4.970 1.00 0.00 H new ATOM 0 HA ASN A 132 8.758 7.287 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.162 5.367 2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.420 6.935 2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 132 12.122 7.088 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.861 5.956 1.337 1.00 0.00 H new ATOM 736 N ARG A 133 6.372 7.090 3.988 1.00 0.00 N ATOM 737 CA ARG A 133 4.964 6.998 3.832 1.00 0.00 C ATOM 738 C ARG A 133 4.609 7.518 2.464 1.00 0.00 C ATOM 739 O ARG A 133 5.194 8.497 1.998 1.00 0.00 O ATOM 740 CB ARG A 133 4.234 7.710 5.001 1.00 0.00 C ATOM 741 CG ARG A 133 4.340 9.235 5.067 1.00 0.00 C ATOM 742 CD ARG A 133 3.253 9.904 4.243 1.00 0.00 C ATOM 743 NE ARG A 133 3.241 11.366 4.386 1.00 0.00 N ATOM 744 CZ ARG A 133 2.168 12.148 4.160 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.023 11.608 3.748 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.247 13.456 4.345 1.00 0.00 N ATOM 0 H ARG A 133 6.768 7.991 3.722 1.00 0.00 H new ATOM 0 HA ARG A 133 4.624 5.964 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.177 7.447 4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.619 7.304 5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.265 9.562 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.319 9.549 4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.392 9.649 3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.283 9.507 4.542 1.00 0.00 H new ATOM 0 HE ARG A 133 4.106 11.821 4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.957 10.600 3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.211 12.202 3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.122 13.875 4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.433 14.046 4.173 1.00 0.00 H new ATOM 760 N GLU A 134 3.726 6.841 1.812 1.00 0.00 N ATOM 761 CA GLU A 134 3.361 7.140 0.476 1.00 0.00 C ATOM 762 C GLU A 134 1.888 6.840 0.283 1.00 0.00 C ATOM 763 O GLU A 134 1.336 5.987 0.982 1.00 0.00 O ATOM 764 CB GLU A 134 4.272 6.323 -0.437 1.00 0.00 C ATOM 765 CG GLU A 134 3.967 6.375 -1.890 1.00 0.00 C ATOM 766 CD GLU A 134 5.221 6.214 -2.723 1.00 0.00 C ATOM 767 OE1 GLU A 134 6.019 7.163 -2.783 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.439 5.152 -3.328 1.00 0.00 O ATOM 0 H GLU A 134 3.227 6.044 2.207 1.00 0.00 H new ATOM 0 HA GLU A 134 3.492 8.194 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.297 6.663 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.233 5.282 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.257 5.588 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.489 7.325 -2.129 1.00 0.00 H new ATOM 775 N GLU A 135 1.254 7.537 -0.623 1.00 0.00 N ATOM 776 CA GLU A 135 -0.153 7.380 -0.838 1.00 0.00 C ATOM 777 C GLU A 135 -0.376 6.536 -2.058 1.00 0.00 C ATOM 778 O GLU A 135 0.128 6.834 -3.150 1.00 0.00 O ATOM 779 CB GLU A 135 -0.837 8.728 -0.988 1.00 0.00 C ATOM 780 CG GLU A 135 -2.331 8.622 -1.203 1.00 0.00 C ATOM 781 CD GLU A 135 -2.986 9.953 -1.319 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.004 10.530 -2.431 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.530 10.438 -0.317 1.00 0.00 O ATOM 0 H GLU A 135 1.700 8.226 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.590 6.885 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.647 9.325 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.393 9.261 -1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.525 8.045 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.776 8.073 -0.373 1.00 0.00 H new ATOM 790 N GLN A 136 -1.116 5.490 -1.859 1.00 0.00 N ATOM 791 CA GLN A 136 -1.362 4.489 -2.853 1.00 0.00 C ATOM 792 C GLN A 136 -2.844 4.262 -2.949 1.00 0.00 C ATOM 793 O GLN A 136 -3.585 4.658 -2.069 1.00 0.00 O ATOM 794 CB GLN A 136 -0.678 3.197 -2.425 1.00 0.00 C ATOM 795 CG GLN A 136 0.799 3.382 -2.101 1.00 0.00 C ATOM 796 CD GLN A 136 1.661 3.582 -3.330 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.207 4.062 -4.371 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.904 3.301 -3.198 1.00 0.00 N ATOM 0 H GLN A 136 -1.581 5.302 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 136 -0.974 4.808 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.188 2.795 -1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.780 2.458 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.914 4.242 -1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.156 2.510 -1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.247 2.905 -2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.550 3.474 -3.968 1.00 0.00 H new ATOM 807 N ASN A 137 -3.264 3.648 -3.991 1.00 0.00 N ATOM 808 CA ASN A 137 -4.669 3.356 -4.202 1.00 0.00 C ATOM 809 C ASN A 137 -4.976 2.046 -3.549 1.00 0.00 C ATOM 810 O ASN A 137 -4.148 1.145 -3.571 1.00 0.00 O ATOM 811 CB ASN A 137 -4.970 3.216 -5.692 1.00 0.00 C ATOM 812 CG ASN A 137 -4.532 4.397 -6.530 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.293 5.323 -6.768 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.292 4.386 -6.958 1.00 0.00 N ATOM 0 H ASN A 137 -2.653 3.323 -4.740 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.268 4.166 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.479 2.318 -6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.043 3.071 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -2.935 5.167 -7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.684 3.596 -6.740 1.00 0.00 H new ATOM 821 N LEU A 138 -6.155 1.935 -2.991 1.00 0.00 N ATOM 822 CA LEU A 138 -6.625 0.700 -2.348 1.00 0.00 C ATOM 823 C LEU A 138 -6.620 -0.449 -3.346 1.00 0.00 C ATOM 824 O LEU A 138 -6.210 -1.556 -3.045 1.00 0.00 O ATOM 825 CB LEU A 138 -8.036 0.920 -1.828 1.00 0.00 C ATOM 826 CG LEU A 138 -8.189 1.970 -0.741 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.646 2.325 -0.564 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.617 1.467 0.567 1.00 0.00 C ATOM 0 H LEU A 138 -6.833 2.697 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.960 0.447 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.672 1.200 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.413 -0.028 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.639 2.862 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.745 3.078 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.041 2.720 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.206 1.434 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.735 2.232 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.145 0.563 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.558 1.243 0.439 1.00 0.00 H new ATOM 840 N SER A 139 -7.008 -0.141 -4.551 1.00 0.00 N ATOM 841 CA SER A 139 -7.074 -1.090 -5.626 1.00 0.00 C ATOM 842 C SER A 139 -5.673 -1.452 -6.144 1.00 0.00 C ATOM 843 O SER A 139 -5.474 -2.495 -6.794 1.00 0.00 O ATOM 844 CB SER A 139 -7.896 -0.436 -6.716 1.00 0.00 C ATOM 845 OG SER A 139 -7.499 0.925 -6.836 1.00 0.00 O ATOM 0 H SER A 139 -7.294 0.800 -4.820 1.00 0.00 H new ATOM 0 HA SER A 139 -7.525 -2.024 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.750 -0.957 -7.662 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.958 -0.500 -6.478 1.00 0.00 H new ATOM 0 HG SER A 139 -8.168 1.500 -6.409 1.00 0.00 H new ATOM 851 N ASP A 140 -4.706 -0.629 -5.808 1.00 0.00 N ATOM 852 CA ASP A 140 -3.358 -0.764 -6.341 1.00 0.00 C ATOM 853 C ASP A 140 -2.475 -1.410 -5.298 1.00 0.00 C ATOM 854 O ASP A 140 -1.328 -1.759 -5.564 1.00 0.00 O ATOM 855 CB ASP A 140 -2.801 0.613 -6.737 1.00 0.00 C ATOM 856 CG ASP A 140 -1.534 0.560 -7.570 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.635 0.424 -8.816 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.423 0.726 -7.024 1.00 0.00 O ATOM 0 H ASP A 140 -4.824 0.151 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.381 -1.391 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.566 1.154 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.602 1.185 -5.831 1.00 0.00 H new ATOM 863 N LEU A 141 -3.019 -1.569 -4.103 1.00 0.00 N ATOM 864 CA LEU A 141 -2.307 -2.221 -3.040 1.00 0.00 C ATOM 865 C LEU A 141 -2.107 -3.663 -3.366 1.00 0.00 C ATOM 866 O LEU A 141 -2.823 -4.242 -4.190 1.00 0.00 O ATOM 867 CB LEU A 141 -3.006 -2.091 -1.698 1.00 0.00 C ATOM 868 CG LEU A 141 -3.125 -0.695 -1.117 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.745 -0.773 0.254 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.768 -0.022 -1.050 1.00 0.00 C ATOM 0 H LEU A 141 -3.955 -1.251 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.343 -1.720 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.010 -2.503 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.475 -2.714 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.763 -0.095 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.831 0.230 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.736 -1.221 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.118 -1.384 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.878 0.978 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.101 -0.609 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.348 0.050 -2.053 1.00 0.00 H new ATOM 882 N LEU A 142 -1.144 -4.225 -2.758 1.00 0.00 N ATOM 883 CA LEU A 142 -0.769 -5.569 -3.020 1.00 0.00 C ATOM 884 C LEU A 142 -0.756 -6.313 -1.720 1.00 0.00 C ATOM 885 O LEU A 142 -0.684 -5.690 -0.646 1.00 0.00 O ATOM 886 CB LEU A 142 0.616 -5.566 -3.646 1.00 0.00 C ATOM 887 CG LEU A 142 0.778 -4.636 -4.851 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.214 -4.528 -5.256 1.00 0.00 C ATOM 889 CD2 LEU A 142 -0.074 -5.092 -6.020 1.00 0.00 C ATOM 0 H LEU A 142 -0.576 -3.763 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.468 -6.051 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.342 -5.280 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.861 -6.582 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 142 0.432 -3.647 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.301 -3.862 -6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.797 -4.129 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.592 -5.515 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.064 -4.410 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.224 -6.098 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.123 -5.097 -5.725 1.00 0.00 H new ATOM 901 N SER A 143 -0.816 -7.602 -1.796 1.00 0.00 N ATOM 902 CA SER A 143 -0.832 -8.427 -0.624 1.00 0.00 C ATOM 903 C SER A 143 0.544 -8.391 0.079 1.00 0.00 C ATOM 904 O SER A 143 1.587 -8.395 -0.587 1.00 0.00 O ATOM 905 CB SER A 143 -1.270 -9.834 -1.007 1.00 0.00 C ATOM 906 OG SER A 143 -2.525 -9.788 -1.696 1.00 0.00 O ATOM 0 H SER A 143 -0.856 -8.119 -2.675 1.00 0.00 H new ATOM 0 HA SER A 143 -1.553 -8.045 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.515 -10.298 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.359 -10.452 -0.113 1.00 0.00 H new ATOM 0 HG SER A 143 -2.798 -10.697 -1.940 1.00 0.00 H new ATOM 912 N PRO A 144 0.537 -8.333 1.430 1.00 0.00 N ATOM 913 CA PRO A 144 1.745 -8.137 2.251 1.00 0.00 C ATOM 914 C PRO A 144 2.813 -9.214 2.105 1.00 0.00 C ATOM 915 O PRO A 144 2.529 -10.379 1.778 1.00 0.00 O ATOM 916 CB PRO A 144 1.216 -8.123 3.686 1.00 0.00 C ATOM 917 CG PRO A 144 -0.096 -8.810 3.614 1.00 0.00 C ATOM 918 CD PRO A 144 -0.663 -8.479 2.273 1.00 0.00 C ATOM 0 HA PRO A 144 2.255 -7.226 1.938 1.00 0.00 H new ATOM 0 HB2 PRO A 144 1.896 -8.640 4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 144 1.109 -7.104 4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.021 -9.887 3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.758 -8.471 4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.319 -9.268 1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.251 -7.562 2.299 1.00 0.00 H new ATOM 926 N ILE A 145 4.034 -8.805 2.357 1.00 0.00 N ATOM 927 CA ILE A 145 5.185 -9.670 2.326 1.00 0.00 C ATOM 928 C ILE A 145 5.507 -10.036 3.784 1.00 0.00 C ATOM 929 O ILE A 145 5.148 -9.276 4.708 1.00 0.00 O ATOM 930 CB ILE A 145 6.401 -8.925 1.691 1.00 0.00 C ATOM 931 CG1 ILE A 145 5.967 -8.219 0.407 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.506 -9.914 1.359 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.047 -7.387 -0.250 1.00 0.00 C ATOM 0 H ILE A 145 4.258 -7.839 2.595 1.00 0.00 H new ATOM 0 HA ILE A 145 4.985 -10.560 1.729 1.00 0.00 H new ATOM 0 HB ILE A 145 6.770 -8.192 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.620 -8.968 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.117 -7.575 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.349 -9.383 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.831 -10.416 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.132 -10.654 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.650 -6.923 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.379 -6.611 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.891 -8.026 -0.511 1.00 0.00 H new ATOM 945 N CYS A 146 6.133 -11.166 4.010 1.00 0.00 N ATOM 946 CA CYS A 146 6.452 -11.590 5.355 1.00 0.00 C ATOM 947 C CYS A 146 7.958 -11.677 5.509 1.00 0.00 C ATOM 948 O CYS A 146 8.564 -12.743 5.343 1.00 0.00 O ATOM 949 CB CYS A 146 5.787 -12.931 5.653 1.00 0.00 C ATOM 950 SG CYS A 146 5.911 -13.524 7.360 1.00 0.00 S ATOM 0 H CYS A 146 6.433 -11.811 3.279 1.00 0.00 H new ATOM 0 HA CYS A 146 6.071 -10.863 6.072 1.00 0.00 H new ATOM 0 HB2 CYS A 146 4.731 -12.855 5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 146 6.224 -13.683 4.996 1.00 0.00 H new ATOM 0 HG CYS A 146 5.302 -14.668 7.467 1.00 0.00 H new ATOM 956 N GLU A 147 8.554 -10.553 5.762 1.00 0.00 N ATOM 957 CA GLU A 147 9.983 -10.457 5.887 1.00 0.00 C ATOM 958 C GLU A 147 10.371 -10.224 7.327 1.00 0.00 C ATOM 959 O GLU A 147 10.102 -9.132 7.858 1.00 0.00 O ATOM 960 CB GLU A 147 10.552 -9.359 4.984 1.00 0.00 C ATOM 961 CG GLU A 147 10.313 -9.585 3.494 1.00 0.00 C ATOM 962 CD GLU A 147 10.862 -10.910 2.995 1.00 0.00 C ATOM 963 OE1 GLU A 147 12.103 -11.051 2.886 1.00 0.00 O ATOM 964 OE2 GLU A 147 10.079 -11.831 2.674 1.00 0.00 O ATOM 965 OXT GLU A 147 10.957 -11.132 7.941 1.00 0.00 O ATOM 0 H GLU A 147 8.063 -9.668 5.889 1.00 0.00 H new ATOM 0 HA GLU A 147 10.413 -11.404 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 147 10.111 -8.404 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 147 11.625 -9.280 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 147 9.242 -9.544 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 147 10.774 -8.773 2.931 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.393 2.889 -3.711 1.00 0.00 N HETATM 974 CA 2MR A1148 16.482 2.958 -2.252 1.00 0.00 C HETATM 975 CB 2MR A1148 15.920 1.691 -1.597 1.00 0.00 C HETATM 976 CG 2MR A1148 15.880 1.724 -0.070 1.00 0.00 C HETATM 977 CD 2MR A1148 14.640 2.442 0.420 1.00 0.00 C HETATM 978 NE 2MR A1148 13.448 1.716 -0.009 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.212 2.000 0.330 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.982 3.067 1.161 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.734 3.621 1.707 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.247 1.239 -0.209 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.811 1.274 -0.057 1.00 0.00 C HETATM 984 C 2MR A1148 17.929 3.104 -1.892 1.00 0.00 C HETATM 985 O 2MR A1148 18.300 4.103 -1.264 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.724 2.221 -2.274 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.552 1.119 0.990 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.434 2.243 -0.385 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.362 0.486 -0.662 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 10.085 3.931 0.888 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.228 2.861 2.303 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.962 4.482 2.335 1.00 0.00 H new HETATM 0 HXT 2MR A1148 19.634 2.459 -1.999 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.587 0.509 -0.835 1.00 0.00 H new HETATM 0 HG3 2MR A1148 15.895 0.707 0.321 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.770 2.225 0.311 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.588 0.917 -0.627 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.659 2.519 1.507 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.619 3.459 0.028 1.00 0.00 H new HETATM 0 HB3 2MR A1148 14.909 1.524 -1.970 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.521 0.838 -1.913 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.895 3.804 -1.893 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.731 3.665 -4.280 1.00 0.00 H new HETATM 0 H 2MR A1148 15.993 2.065 -4.159 1.00 0.00 H new