USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -161:sc= 0.143 (180deg=-0.224) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -151:sc= -0.0433 (180deg=-0.62) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 81:sc= -0.201 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.073) USER MOD Single : A 19 GLN : amide:sc= -0.0924 K(o=-0.092,f=-1.9!) USER MOD Single : A 20 SER OG : rot 43:sc= 0.187 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.653 K(o=0.65,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.5!) USER MOD Single : A 38 SER OG : rot 62:sc= 0.0636 USER MOD Single : A 42 GLN : amide:sc= -3.86! C(o=-3.9!,f=-14!) USER MOD Single : A 44 HIS : no HD1:sc= -7.68! C(o=-7.7!,f=-7.6!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -41:sc= 0.00295 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.982 -5.865 2.470 1.00 0.00 N ATOM 2 CA SER A 1 13.898 -4.404 2.226 1.00 0.00 C ATOM 3 C SER A 1 12.488 -3.905 2.518 1.00 0.00 C ATOM 4 O SER A 1 12.296 -2.767 2.894 1.00 0.00 O ATOM 5 CB SER A 1 14.231 -4.103 0.756 1.00 0.00 C ATOM 6 OG SER A 1 13.090 -4.552 0.040 1.00 0.00 O ATOM 0 H1 SER A 1 14.978 -6.141 2.586 1.00 0.00 H new ATOM 0 H2 SER A 1 13.454 -6.104 3.334 1.00 0.00 H new ATOM 0 H3 SER A 1 13.573 -6.376 1.662 1.00 0.00 H new ATOM 0 HA SER A 1 14.609 -3.901 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.407 -3.039 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 1 15.132 -4.626 0.437 1.00 0.00 H new ATOM 0 HG SER A 1 13.222 -4.393 -0.918 1.00 0.00 H new ATOM 14 N TYR A 2 11.525 -4.791 2.367 1.00 0.00 N ATOM 15 CA TYR A 2 10.093 -4.420 2.624 1.00 0.00 C ATOM 16 C TYR A 2 9.753 -3.039 2.066 1.00 0.00 C ATOM 17 O TYR A 2 10.557 -2.403 1.416 1.00 0.00 O ATOM 18 CB TYR A 2 9.811 -4.435 4.156 1.00 0.00 C ATOM 19 CG TYR A 2 11.084 -4.113 4.943 1.00 0.00 C ATOM 20 CD1 TYR A 2 12.044 -5.083 5.147 1.00 0.00 C ATOM 21 CD2 TYR A 2 11.288 -2.850 5.462 1.00 0.00 C ATOM 22 CE1 TYR A 2 13.192 -4.794 5.859 1.00 0.00 C ATOM 23 CE2 TYR A 2 12.435 -2.563 6.173 1.00 0.00 C ATOM 24 CZ TYR A 2 13.396 -3.532 6.378 1.00 0.00 C ATOM 25 OH TYR A 2 14.544 -3.244 7.087 1.00 0.00 O ATOM 0 H TYR A 2 11.672 -5.758 2.076 1.00 0.00 H new ATOM 0 HA TYR A 2 9.468 -5.155 2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 2 9.036 -3.707 4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 2 9.432 -5.413 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 2 11.897 -6.075 4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 2 10.545 -2.081 5.310 1.00 0.00 H new ATOM 0 HE1 TYR A 2 13.936 -5.562 6.011 1.00 0.00 H new ATOM 0 HE2 TYR A 2 12.582 -1.571 6.573 1.00 0.00 H new ATOM 0 HH TYR A 2 14.523 -2.308 7.378 1.00 0.00 H new ATOM 35 N GLN A 3 8.544 -2.618 2.314 1.00 0.00 N ATOM 36 CA GLN A 3 8.112 -1.289 1.817 1.00 0.00 C ATOM 37 C GLN A 3 8.753 -0.168 2.631 1.00 0.00 C ATOM 38 O GLN A 3 8.519 -0.046 3.817 1.00 0.00 O ATOM 39 CB GLN A 3 6.583 -1.195 1.963 1.00 0.00 C ATOM 40 CG GLN A 3 5.922 -1.628 0.650 1.00 0.00 C ATOM 41 CD GLN A 3 4.405 -1.701 0.846 1.00 0.00 C ATOM 42 OE1 GLN A 3 3.866 -2.717 1.235 1.00 0.00 O ATOM 43 NE2 GLN A 3 3.681 -0.645 0.587 1.00 0.00 N ATOM 0 H GLN A 3 7.840 -3.138 2.838 1.00 0.00 H new ATOM 0 HA GLN A 3 8.417 -1.180 0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.244 -1.831 2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.292 -0.174 2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.164 -0.920 -0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.307 -2.599 0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.127 0.212 0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.669 -0.677 0.712 1.00 0.00 H new ATOM 52 N VAL A 4 9.551 0.629 1.974 1.00 0.00 N ATOM 53 CA VAL A 4 10.219 1.747 2.684 1.00 0.00 C ATOM 54 C VAL A 4 9.353 3.003 2.641 1.00 0.00 C ATOM 55 O VAL A 4 9.541 3.920 3.415 1.00 0.00 O ATOM 56 CB VAL A 4 11.554 2.038 1.963 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.561 2.648 2.949 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.114 0.724 1.406 1.00 0.00 C ATOM 0 H VAL A 4 9.766 0.552 0.980 1.00 0.00 H new ATOM 0 HA VAL A 4 10.383 1.471 3.726 1.00 0.00 H new ATOM 0 HB VAL A 4 11.383 2.744 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.499 2.850 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.160 3.579 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.740 1.949 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.057 0.918 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.282 0.024 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.401 0.294 0.702 1.00 0.00 H new ATOM 68 N ILE A 5 8.417 3.011 1.736 1.00 0.00 N ATOM 69 CA ILE A 5 7.525 4.180 1.610 1.00 0.00 C ATOM 70 C ILE A 5 6.210 3.963 2.363 1.00 0.00 C ATOM 71 O ILE A 5 6.033 2.975 3.046 1.00 0.00 O ATOM 72 CB ILE A 5 7.208 4.361 0.133 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.780 3.028 -0.466 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.477 4.842 -0.594 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.571 3.253 -1.375 1.00 0.00 C ATOM 0 H ILE A 5 8.235 2.253 1.079 1.00 0.00 H new ATOM 0 HA ILE A 5 8.021 5.054 2.032 1.00 0.00 H new ATOM 0 HB ILE A 5 6.405 5.090 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.601 2.590 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.529 2.323 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.261 4.975 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.803 5.791 -0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.267 4.101 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.259 2.302 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.751 3.673 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.840 3.944 -2.174 1.00 0.00 H new ATOM 87 N CYS A 6 5.314 4.904 2.215 1.00 0.00 N ATOM 88 CA CYS A 6 3.997 4.796 2.900 1.00 0.00 C ATOM 89 C CYS A 6 2.909 5.408 2.020 1.00 0.00 C ATOM 90 O CYS A 6 2.856 6.606 1.853 1.00 0.00 O ATOM 91 CB CYS A 6 4.067 5.585 4.219 1.00 0.00 C ATOM 92 SG CYS A 6 4.088 4.635 5.763 1.00 0.00 S ATOM 0 H CYS A 6 5.440 5.743 1.648 1.00 0.00 H new ATOM 0 HA CYS A 6 3.765 3.748 3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.963 6.204 4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.213 6.261 4.252 1.00 0.00 H new ATOM 97 N ARG A 7 2.054 4.577 1.480 1.00 0.00 N ATOM 98 CA ARG A 7 0.972 5.108 0.611 1.00 0.00 C ATOM 99 C ARG A 7 -0.285 5.475 1.399 1.00 0.00 C ATOM 100 O ARG A 7 -0.948 4.618 1.948 1.00 0.00 O ATOM 101 CB ARG A 7 0.605 4.013 -0.399 1.00 0.00 C ATOM 102 CG ARG A 7 -0.382 4.582 -1.425 1.00 0.00 C ATOM 103 CD ARG A 7 -0.576 3.564 -2.554 1.00 0.00 C ATOM 104 NE ARG A 7 -1.837 3.880 -3.285 1.00 0.00 N ATOM 105 CZ ARG A 7 -1.843 3.856 -4.590 1.00 0.00 C ATOM 106 NH1 ARG A 7 -0.873 4.446 -5.235 1.00 0.00 N ATOM 107 NH2 ARG A 7 -2.817 3.243 -5.207 1.00 0.00 N ATOM 0 H ARG A 7 2.061 3.565 1.604 1.00 0.00 H new ATOM 0 HA ARG A 7 1.336 6.015 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.502 3.650 -0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.161 3.161 0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.337 4.800 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.005 5.522 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.273 3.594 -3.238 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.621 2.554 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.686 4.113 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.128 4.915 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.860 4.438 -6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.558 2.793 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.837 3.215 -6.226 1.00 0.00 H new ATOM 121 N ASP A 8 -0.586 6.753 1.436 1.00 0.00 N ATOM 122 CA ASP A 8 -1.795 7.207 2.176 1.00 0.00 C ATOM 123 C ASP A 8 -2.955 7.421 1.200 1.00 0.00 C ATOM 124 O ASP A 8 -2.887 8.271 0.325 1.00 0.00 O ATOM 125 CB ASP A 8 -1.469 8.531 2.879 1.00 0.00 C ATOM 126 CG ASP A 8 -2.516 8.803 3.953 1.00 0.00 C ATOM 127 OD1 ASP A 8 -2.296 8.330 5.056 1.00 0.00 O ATOM 128 OD2 ASP A 8 -3.475 9.468 3.611 1.00 0.00 O ATOM 0 H ASP A 8 -0.047 7.493 0.987 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.084 6.452 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.476 8.483 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.454 9.346 2.155 1.00 0.00 H new ATOM 133 N GLU A 9 -3.999 6.645 1.374 1.00 0.00 N ATOM 134 CA GLU A 9 -5.176 6.770 0.478 1.00 0.00 C ATOM 135 C GLU A 9 -6.134 7.863 0.939 1.00 0.00 C ATOM 136 O GLU A 9 -7.154 8.093 0.319 1.00 0.00 O ATOM 137 CB GLU A 9 -5.924 5.437 0.509 1.00 0.00 C ATOM 138 CG GLU A 9 -6.469 5.209 1.919 1.00 0.00 C ATOM 139 CD GLU A 9 -6.905 3.751 2.065 1.00 0.00 C ATOM 140 OE1 GLU A 9 -7.959 3.444 1.532 1.00 0.00 O ATOM 141 OE2 GLU A 9 -6.160 3.026 2.704 1.00 0.00 O ATOM 0 H GLU A 9 -4.080 5.933 2.100 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.826 7.028 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.740 5.445 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.256 4.623 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.705 5.448 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.313 5.873 2.106 1.00 0.00 H new ATOM 148 N LYS A 10 -5.802 8.513 2.013 1.00 0.00 N ATOM 149 CA LYS A 10 -6.698 9.589 2.507 1.00 0.00 C ATOM 150 C LYS A 10 -6.408 10.888 1.782 1.00 0.00 C ATOM 151 O LYS A 10 -7.162 11.837 1.863 1.00 0.00 O ATOM 152 CB LYS A 10 -6.444 9.780 4.007 1.00 0.00 C ATOM 153 CG LYS A 10 -7.733 9.481 4.783 1.00 0.00 C ATOM 154 CD LYS A 10 -8.043 7.978 4.695 1.00 0.00 C ATOM 155 CE LYS A 10 -9.545 7.788 4.464 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.327 8.535 5.488 1.00 0.00 N ATOM 0 H LYS A 10 -4.960 8.350 2.565 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.736 9.311 2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.644 9.118 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.116 10.800 4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.621 9.780 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.561 10.059 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.477 7.525 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.738 7.477 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.813 8.137 3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.795 6.728 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.234 8.053 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.789 8.571 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.505 9.503 5.151 1.00 0.00 H new ATOM 170 N THR A 11 -5.312 10.901 1.085 1.00 0.00 N ATOM 171 CA THR A 11 -4.928 12.118 0.332 1.00 0.00 C ATOM 172 C THR A 11 -4.325 11.717 -0.996 1.00 0.00 C ATOM 173 O THR A 11 -4.249 12.502 -1.917 1.00 0.00 O ATOM 174 CB THR A 11 -3.878 12.887 1.135 1.00 0.00 C ATOM 175 OG1 THR A 11 -2.748 12.966 0.290 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.400 12.063 2.337 1.00 0.00 C ATOM 0 H THR A 11 -4.664 10.118 1.005 1.00 0.00 H new ATOM 0 HA THR A 11 -5.808 12.740 0.167 1.00 0.00 H new ATOM 0 HB THR A 11 -4.290 13.841 1.464 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.031 13.453 0.747 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.654 12.630 2.893 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.247 11.843 2.987 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.959 11.130 1.986 1.00 0.00 H new ATOM 184 N GLN A 12 -3.899 10.486 -1.056 1.00 0.00 N ATOM 185 CA GLN A 12 -3.290 9.971 -2.298 1.00 0.00 C ATOM 186 C GLN A 12 -1.877 10.490 -2.435 1.00 0.00 C ATOM 187 O GLN A 12 -1.455 10.892 -3.503 1.00 0.00 O ATOM 188 CB GLN A 12 -4.121 10.430 -3.511 1.00 0.00 C ATOM 189 CG GLN A 12 -4.049 9.342 -4.589 1.00 0.00 C ATOM 190 CD GLN A 12 -4.825 9.789 -5.828 1.00 0.00 C ATOM 191 OE1 GLN A 12 -5.573 10.746 -5.796 1.00 0.00 O ATOM 192 NE2 GLN A 12 -4.674 9.121 -6.941 1.00 0.00 N ATOM 0 H GLN A 12 -3.950 9.816 -0.289 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.271 8.882 -2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.156 10.604 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.737 11.373 -3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.009 9.145 -4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.463 8.409 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.047 8.317 -6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.183 9.404 -7.778 1.00 0.00 H new ATOM 201 N MET A 13 -1.171 10.471 -1.336 1.00 0.00 N ATOM 202 CA MET A 13 0.231 10.955 -1.347 1.00 0.00 C ATOM 203 C MET A 13 1.135 9.950 -0.651 1.00 0.00 C ATOM 204 O MET A 13 0.823 9.473 0.420 1.00 0.00 O ATOM 205 CB MET A 13 0.291 12.295 -0.591 1.00 0.00 C ATOM 206 CG MET A 13 1.733 12.818 -0.601 1.00 0.00 C ATOM 207 SD MET A 13 1.967 14.610 -0.475 1.00 0.00 S ATOM 208 CE MET A 13 3.701 14.650 -0.993 1.00 0.00 C ATOM 0 H MET A 13 -1.509 10.140 -0.432 1.00 0.00 H new ATOM 0 HA MET A 13 0.567 11.081 -2.376 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.374 13.020 -1.059 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.053 12.163 0.435 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.268 12.349 0.225 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.208 12.480 -1.522 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.059 15.680 -0.988 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.300 14.054 -0.304 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.790 14.240 -1.999 1.00 0.00 H new ATOM 218 N ILE A 14 2.240 9.646 -1.273 1.00 0.00 N ATOM 219 CA ILE A 14 3.176 8.673 -0.665 1.00 0.00 C ATOM 220 C ILE A 14 4.300 9.375 0.089 1.00 0.00 C ATOM 221 O ILE A 14 4.757 10.427 -0.313 1.00 0.00 O ATOM 222 CB ILE A 14 3.768 7.844 -1.795 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.639 7.342 -2.685 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.503 6.634 -1.195 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.174 6.270 -3.634 1.00 0.00 C ATOM 0 H ILE A 14 2.531 10.030 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 14 2.639 8.051 0.051 1.00 0.00 H new ATOM 0 HB ILE A 14 4.461 8.451 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.835 6.933 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.216 8.169 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.931 6.033 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.300 6.982 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.800 6.028 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.365 5.911 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.963 6.694 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.576 5.439 -3.055 1.00 0.00 H new ATOM 237 N TYR A 15 4.723 8.766 1.177 1.00 0.00 N ATOM 238 CA TYR A 15 5.819 9.363 1.990 1.00 0.00 C ATOM 239 C TYR A 15 6.950 8.357 2.205 1.00 0.00 C ATOM 240 O TYR A 15 6.822 7.191 1.884 1.00 0.00 O ATOM 241 CB TYR A 15 5.244 9.758 3.359 1.00 0.00 C ATOM 242 CG TYR A 15 4.001 10.628 3.154 1.00 0.00 C ATOM 243 CD1 TYR A 15 2.767 10.048 2.932 1.00 0.00 C ATOM 244 CD2 TYR A 15 4.097 12.004 3.188 1.00 0.00 C ATOM 245 CE1 TYR A 15 1.647 10.835 2.751 1.00 0.00 C ATOM 246 CE2 TYR A 15 2.977 12.789 3.007 1.00 0.00 C ATOM 247 CZ TYR A 15 1.743 12.211 2.787 1.00 0.00 C ATOM 248 OH TYR A 15 0.623 12.996 2.605 1.00 0.00 O ATOM 0 H TYR A 15 4.353 7.884 1.530 1.00 0.00 H new ATOM 0 HA TYR A 15 6.219 10.230 1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.987 8.865 3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.991 10.302 3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.678 8.972 2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.056 12.470 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.688 10.370 2.580 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.067 13.865 3.038 1.00 0.00 H new ATOM 0 HH TYR A 15 0.125 13.056 3.447 1.00 0.00 H new ATOM 258 N GLN A 16 8.042 8.832 2.745 1.00 0.00 N ATOM 259 CA GLN A 16 9.196 7.936 2.993 1.00 0.00 C ATOM 260 C GLN A 16 9.110 7.279 4.361 1.00 0.00 C ATOM 261 O GLN A 16 8.072 7.266 4.992 1.00 0.00 O ATOM 262 CB GLN A 16 10.470 8.787 2.934 1.00 0.00 C ATOM 263 CG GLN A 16 10.467 9.606 1.638 1.00 0.00 C ATOM 264 CD GLN A 16 11.910 9.919 1.231 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.610 10.655 1.900 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.392 9.383 0.141 1.00 0.00 N ATOM 0 H GLN A 16 8.179 9.804 3.023 1.00 0.00 H new ATOM 0 HA GLN A 16 9.201 7.147 2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.520 9.450 3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.352 8.147 2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.966 9.051 0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.909 10.531 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.810 8.765 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.351 9.583 -0.145 1.00 0.00 H new ATOM 275 N GLN A 17 10.215 6.745 4.785 1.00 0.00 N ATOM 276 CA GLN A 17 10.257 6.072 6.114 1.00 0.00 C ATOM 277 C GLN A 17 10.447 7.075 7.248 1.00 0.00 C ATOM 278 O GLN A 17 11.162 8.048 7.109 1.00 0.00 O ATOM 279 CB GLN A 17 11.447 5.101 6.120 1.00 0.00 C ATOM 280 CG GLN A 17 11.198 3.998 7.152 1.00 0.00 C ATOM 281 CD GLN A 17 12.524 3.615 7.817 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.588 3.376 9.006 1.00 0.00 O ATOM 283 NE2 GLN A 17 13.606 3.547 7.087 1.00 0.00 N ATOM 0 H GLN A 17 11.095 6.744 4.270 1.00 0.00 H new ATOM 0 HA GLN A 17 9.311 5.554 6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.580 4.665 5.130 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.366 5.636 6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.487 4.342 7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.755 3.127 6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.560 3.746 6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.496 3.295 7.517 1.00 0.00 H new ATOM 292 N HIS A 18 9.801 6.812 8.357 1.00 0.00 N ATOM 293 CA HIS A 18 9.926 7.735 9.519 1.00 0.00 C ATOM 294 C HIS A 18 9.542 9.153 9.124 1.00 0.00 C ATOM 295 O HIS A 18 9.966 10.115 9.737 1.00 0.00 O ATOM 296 CB HIS A 18 11.387 7.708 10.010 1.00 0.00 C ATOM 297 CG HIS A 18 11.432 7.131 11.432 1.00 0.00 C ATOM 298 ND1 HIS A 18 12.159 7.555 12.355 1.00 0.00 N ATOM 299 CD2 HIS A 18 10.722 6.077 11.982 1.00 0.00 C ATOM 300 CE1 HIS A 18 11.993 6.893 13.424 1.00 0.00 C ATOM 301 NE2 HIS A 18 11.090 5.921 13.283 1.00 0.00 N ATOM 0 H HIS A 18 9.197 6.003 8.504 1.00 0.00 H new ATOM 0 HA HIS A 18 9.253 7.411 10.313 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.997 7.103 9.340 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.805 8.715 10.000 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.992 5.475 11.461 1.00 0.00 H new ATOM 0 HE1 HIS A 18 12.522 7.093 14.344 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.762 5.241 13.969 1.00 0.00 H new ATOM 309 N GLN A 19 8.731 9.254 8.106 1.00 0.00 N ATOM 310 CA GLN A 19 8.295 10.591 7.644 1.00 0.00 C ATOM 311 C GLN A 19 6.936 10.932 8.249 1.00 0.00 C ATOM 312 O GLN A 19 5.993 10.177 8.120 1.00 0.00 O ATOM 313 CB GLN A 19 8.178 10.556 6.115 1.00 0.00 C ATOM 314 CG GLN A 19 8.120 11.989 5.587 1.00 0.00 C ATOM 315 CD GLN A 19 9.544 12.512 5.389 1.00 0.00 C ATOM 316 OE1 GLN A 19 10.274 12.728 6.336 1.00 0.00 O ATOM 317 NE2 GLN A 19 9.980 12.725 4.177 1.00 0.00 N ATOM 0 H GLN A 19 8.355 8.466 7.578 1.00 0.00 H new ATOM 0 HA GLN A 19 9.017 11.346 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.030 10.030 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.283 10.009 5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.574 12.020 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.580 12.626 6.288 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.372 12.546 3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.928 13.071 4.030 1.00 0.00 H new ATOM 326 N SER A 20 6.861 12.060 8.897 1.00 0.00 N ATOM 327 CA SER A 20 5.578 12.461 9.516 1.00 0.00 C ATOM 328 C SER A 20 4.716 13.329 8.606 1.00 0.00 C ATOM 329 O SER A 20 5.184 14.261 7.984 1.00 0.00 O ATOM 330 CB SER A 20 5.893 13.261 10.785 1.00 0.00 C ATOM 331 OG SER A 20 6.847 14.223 10.360 1.00 0.00 O ATOM 0 H SER A 20 7.632 12.716 9.022 1.00 0.00 H new ATOM 0 HA SER A 20 5.015 11.551 9.724 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.999 13.737 11.188 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.295 12.621 11.570 1.00 0.00 H new ATOM 0 HG SER A 20 6.572 14.597 9.497 1.00 0.00 H new ATOM 337 N TRP A 21 3.462 12.980 8.563 1.00 0.00 N ATOM 338 CA TRP A 21 2.494 13.721 7.732 1.00 0.00 C ATOM 339 C TRP A 21 1.110 13.595 8.365 1.00 0.00 C ATOM 340 O TRP A 21 0.549 12.527 8.436 1.00 0.00 O ATOM 341 CB TRP A 21 2.480 13.136 6.297 1.00 0.00 C ATOM 342 CG TRP A 21 1.603 11.869 6.220 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.307 11.879 5.907 1.00 0.00 C ATOM 344 CD2 TRP A 21 2.045 10.635 6.361 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.014 10.570 5.848 1.00 0.00 N ATOM 346 CE2 TRP A 21 1.033 9.717 6.125 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.309 10.178 6.707 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.279 8.366 6.223 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.551 8.821 6.809 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.536 7.917 6.566 1.00 0.00 C ATOM 0 H TRP A 21 3.066 12.196 9.082 1.00 0.00 H new ATOM 0 HA TRP A 21 2.777 14.772 7.675 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.104 13.885 5.600 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.498 12.896 5.989 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.334 12.732 5.740 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.951 10.240 5.618 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.104 10.884 6.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.487 7.658 6.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.535 8.467 7.079 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.727 6.857 6.645 1.00 0.00 H new ATOM 361 N LEU A 22 0.600 14.684 8.843 1.00 0.00 N ATOM 362 CA LEU A 22 -0.729 14.634 9.471 1.00 0.00 C ATOM 363 C LEU A 22 -1.833 14.741 8.447 1.00 0.00 C ATOM 364 O LEU A 22 -1.590 14.965 7.279 1.00 0.00 O ATOM 365 CB LEU A 22 -0.827 15.796 10.456 1.00 0.00 C ATOM 366 CG LEU A 22 0.210 15.585 11.570 1.00 0.00 C ATOM 367 CD1 LEU A 22 1.427 16.442 11.293 1.00 0.00 C ATOM 368 CD2 LEU A 22 -0.399 15.983 12.919 1.00 0.00 C ATOM 0 H LEU A 22 1.046 15.601 8.825 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.848 13.677 9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.645 16.741 9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.830 15.850 10.879 1.00 0.00 H new ATOM 0 HG LEU A 22 0.503 14.535 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.164 16.294 12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.861 16.159 10.334 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.134 17.491 11.263 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.337 15.833 13.709 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.692 17.032 12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.276 15.367 13.118 1.00 0.00 H new ATOM 380 N ARG A 23 -3.032 14.571 8.915 1.00 0.00 N ATOM 381 CA ARG A 23 -4.191 14.648 8.015 1.00 0.00 C ATOM 382 C ARG A 23 -5.342 15.379 8.706 1.00 0.00 C ATOM 383 O ARG A 23 -5.352 15.507 9.915 1.00 0.00 O ATOM 384 CB ARG A 23 -4.605 13.191 7.709 1.00 0.00 C ATOM 385 CG ARG A 23 -4.003 12.754 6.360 1.00 0.00 C ATOM 386 CD ARG A 23 -3.766 11.241 6.384 1.00 0.00 C ATOM 387 NE ARG A 23 -5.070 10.551 6.586 1.00 0.00 N ATOM 388 CZ ARG A 23 -5.151 9.580 7.452 1.00 0.00 C ATOM 389 NH1 ARG A 23 -4.907 8.363 7.056 1.00 0.00 N ATOM 390 NH2 ARG A 23 -5.474 9.861 8.684 1.00 0.00 N ATOM 0 H ARG A 23 -3.253 14.381 9.892 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.947 15.192 7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.260 12.530 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.692 13.110 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.677 13.016 5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.065 13.279 6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.309 10.916 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.074 10.981 7.185 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.891 10.835 6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.658 8.183 6.083 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.965 7.590 7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.658 10.827 8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.543 9.115 9.376 1.00 0.00 H new ATOM 404 N PRO A 24 -6.301 15.862 7.926 1.00 0.00 N ATOM 405 CA PRO A 24 -7.436 16.572 8.491 1.00 0.00 C ATOM 406 C PRO A 24 -8.036 15.819 9.672 1.00 0.00 C ATOM 407 O PRO A 24 -7.580 14.751 10.033 1.00 0.00 O ATOM 408 CB PRO A 24 -8.457 16.665 7.337 1.00 0.00 C ATOM 409 CG PRO A 24 -7.729 16.192 6.038 1.00 0.00 C ATOM 410 CD PRO A 24 -6.324 15.720 6.454 1.00 0.00 C ATOM 0 HA PRO A 24 -7.145 17.550 8.874 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.326 16.039 7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.819 17.687 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.281 15.383 5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.664 17.005 5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.148 14.687 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.548 16.325 5.986 1.00 0.00 H new ATOM 418 N VAL A 25 -9.052 16.390 10.244 1.00 0.00 N ATOM 419 CA VAL A 25 -9.703 15.741 11.398 1.00 0.00 C ATOM 420 C VAL A 25 -10.705 14.700 10.931 1.00 0.00 C ATOM 421 O VAL A 25 -11.123 14.712 9.791 1.00 0.00 O ATOM 422 CB VAL A 25 -10.457 16.836 12.196 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.725 18.179 12.049 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.886 16.995 11.651 1.00 0.00 C ATOM 0 H VAL A 25 -9.458 17.281 9.958 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.949 15.249 12.013 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.493 16.541 13.245 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.257 18.947 12.611 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.710 18.084 12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.688 18.460 10.996 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.408 17.766 12.218 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.845 17.282 10.600 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.420 16.050 11.748 1.00 0.00 H new ATOM 434 N LEU A 26 -11.076 13.811 11.812 1.00 0.00 N ATOM 435 CA LEU A 26 -12.049 12.779 11.408 1.00 0.00 C ATOM 436 C LEU A 26 -13.354 13.448 11.010 1.00 0.00 C ATOM 437 O LEU A 26 -13.685 13.521 9.846 1.00 0.00 O ATOM 438 CB LEU A 26 -12.302 11.823 12.599 1.00 0.00 C ATOM 439 CG LEU A 26 -10.980 11.524 13.310 1.00 0.00 C ATOM 440 CD1 LEU A 26 -11.198 10.392 14.319 1.00 0.00 C ATOM 441 CD2 LEU A 26 -9.932 11.080 12.282 1.00 0.00 C ATOM 0 H LEU A 26 -10.749 13.761 12.777 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.657 12.214 10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.007 12.274 13.297 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.753 10.896 12.245 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.633 12.421 13.823 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.260 10.174 14.829 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.947 10.696 15.050 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.543 9.500 13.796 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.991 10.868 12.790 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.280 10.182 11.772 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.779 11.875 11.552 1.00 0.00 H new ATOM 453 N ARG A 27 -14.058 13.944 11.991 1.00 0.00 N ATOM 454 CA ARG A 27 -15.349 14.620 11.712 1.00 0.00 C ATOM 455 C ARG A 27 -15.562 15.765 12.695 1.00 0.00 C ATOM 456 O ARG A 27 -16.400 16.620 12.488 1.00 0.00 O ATOM 457 CB ARG A 27 -16.491 13.604 11.897 1.00 0.00 C ATOM 458 CG ARG A 27 -16.327 12.465 10.890 1.00 0.00 C ATOM 459 CD ARG A 27 -17.701 11.874 10.569 1.00 0.00 C ATOM 460 NE ARG A 27 -18.287 12.622 9.421 1.00 0.00 N ATOM 461 CZ ARG A 27 -19.544 12.456 9.119 1.00 0.00 C ATOM 462 NH1 ARG A 27 -20.064 11.263 9.214 1.00 0.00 N ATOM 463 NH2 ARG A 27 -20.239 13.490 8.730 1.00 0.00 N ATOM 0 H ARG A 27 -13.791 13.908 12.975 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.337 15.009 10.694 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.481 13.210 12.913 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.454 14.094 11.755 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -15.855 12.834 9.979 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -15.673 11.694 11.298 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -17.609 10.816 10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -18.355 11.944 11.438 1.00 0.00 H new ATOM 0 HE ARG A 27 -17.708 13.260 8.875 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -19.488 10.479 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -21.046 11.115 8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -19.797 14.407 8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -21.224 13.381 8.489 1.00 0.00 H new ATOM 477 N SER A 28 -14.791 15.756 13.752 1.00 0.00 N ATOM 478 CA SER A 28 -14.922 16.828 14.768 1.00 0.00 C ATOM 479 C SER A 28 -13.892 17.932 14.545 1.00 0.00 C ATOM 480 O SER A 28 -14.010 18.716 13.623 1.00 0.00 O ATOM 481 CB SER A 28 -14.683 16.203 16.150 1.00 0.00 C ATOM 482 OG SER A 28 -15.899 15.533 16.446 1.00 0.00 O ATOM 0 H SER A 28 -14.080 15.052 13.950 1.00 0.00 H new ATOM 0 HA SER A 28 -15.916 17.268 14.694 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.841 15.511 16.134 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.456 16.964 16.897 1.00 0.00 H new ATOM 0 HG SER A 28 -15.829 15.100 17.322 1.00 0.00 H new ATOM 488 N ASN A 29 -12.900 17.975 15.398 1.00 0.00 N ATOM 489 CA ASN A 29 -11.854 19.020 15.253 1.00 0.00 C ATOM 490 C ASN A 29 -10.479 18.479 15.640 1.00 0.00 C ATOM 491 O ASN A 29 -9.517 19.218 15.708 1.00 0.00 O ATOM 492 CB ASN A 29 -12.207 20.183 16.194 1.00 0.00 C ATOM 493 CG ASN A 29 -12.522 21.428 15.366 1.00 0.00 C ATOM 494 OD1 ASN A 29 -11.890 22.458 15.508 1.00 0.00 O ATOM 495 ND2 ASN A 29 -13.490 21.381 14.494 1.00 0.00 N ATOM 0 H ASN A 29 -12.773 17.335 16.182 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.818 19.345 14.213 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.064 19.918 16.812 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.376 20.383 16.870 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.714 22.205 13.936 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.024 20.521 14.370 1.00 0.00 H new ATOM 502 N ARG A 30 -10.411 17.199 15.887 1.00 0.00 N ATOM 503 CA ARG A 30 -9.111 16.597 16.268 1.00 0.00 C ATOM 504 C ARG A 30 -8.122 16.672 15.116 1.00 0.00 C ATOM 505 O ARG A 30 -8.414 17.224 14.088 1.00 0.00 O ATOM 506 CB ARG A 30 -9.352 15.121 16.612 1.00 0.00 C ATOM 507 CG ARG A 30 -10.480 15.017 17.640 1.00 0.00 C ATOM 508 CD ARG A 30 -10.327 13.707 18.413 1.00 0.00 C ATOM 509 NE ARG A 30 -11.499 13.536 19.323 1.00 0.00 N ATOM 510 CZ ARG A 30 -11.373 13.806 20.598 1.00 0.00 C ATOM 511 NH1 ARG A 30 -11.561 15.033 21.004 1.00 0.00 N ATOM 512 NH2 ARG A 30 -11.066 12.841 21.421 1.00 0.00 N ATOM 0 H ARG A 30 -11.197 16.551 15.841 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.699 17.141 17.118 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.613 14.564 15.712 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.440 14.675 17.010 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.445 15.865 18.324 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.449 15.049 17.141 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.263 12.867 17.721 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.402 13.716 18.989 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.392 13.211 18.953 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.802 15.761 20.332 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.467 15.263 21.993 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.928 11.894 21.068 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.964 13.034 22.417 1.00 0.00 H new ATOM 526 N VAL A 31 -6.965 16.117 15.328 1.00 0.00 N ATOM 527 CA VAL A 31 -5.917 16.132 14.261 1.00 0.00 C ATOM 528 C VAL A 31 -5.352 14.737 14.084 1.00 0.00 C ATOM 529 O VAL A 31 -5.103 14.049 15.056 1.00 0.00 O ATOM 530 CB VAL A 31 -4.787 17.076 14.704 1.00 0.00 C ATOM 531 CG1 VAL A 31 -4.586 18.151 13.634 1.00 0.00 C ATOM 532 CG2 VAL A 31 -5.173 17.749 16.027 1.00 0.00 C ATOM 0 H VAL A 31 -6.694 15.651 16.194 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.350 16.469 13.319 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.866 16.508 14.838 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.786 18.825 13.941 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.320 17.678 12.689 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.509 18.717 13.509 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.372 18.418 16.342 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.091 18.320 15.890 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.330 16.987 16.791 1.00 0.00 H new ATOM 542 N GLU A 32 -5.152 14.330 12.850 1.00 0.00 N ATOM 543 CA GLU A 32 -4.603 12.972 12.637 1.00 0.00 C ATOM 544 C GLU A 32 -3.100 12.987 12.522 1.00 0.00 C ATOM 545 O GLU A 32 -2.542 13.558 11.607 1.00 0.00 O ATOM 546 CB GLU A 32 -5.178 12.398 11.341 1.00 0.00 C ATOM 547 CG GLU A 32 -6.285 11.397 11.679 1.00 0.00 C ATOM 548 CD GLU A 32 -5.654 10.060 12.072 1.00 0.00 C ATOM 549 OE1 GLU A 32 -5.168 9.404 11.165 1.00 0.00 O ATOM 550 OE2 GLU A 32 -5.694 9.769 13.256 1.00 0.00 O ATOM 0 H GLU A 32 -5.343 14.872 12.007 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.879 12.363 13.498 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.575 13.200 10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.392 11.908 10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.898 11.777 12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.944 11.263 10.821 1.00 0.00 H new ATOM 557 N TYR A 33 -2.475 12.359 13.457 1.00 0.00 N ATOM 558 CA TYR A 33 -1.008 12.304 13.444 1.00 0.00 C ATOM 559 C TYR A 33 -0.600 11.047 12.733 1.00 0.00 C ATOM 560 O TYR A 33 -0.831 9.973 13.236 1.00 0.00 O ATOM 561 CB TYR A 33 -0.511 12.239 14.889 1.00 0.00 C ATOM 562 CG TYR A 33 0.957 12.667 14.951 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.950 11.857 14.434 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.311 13.864 15.540 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.273 12.238 14.505 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.636 14.245 15.611 1.00 0.00 C ATOM 567 CZ TYR A 33 3.627 13.435 15.095 1.00 0.00 C ATOM 568 OH TYR A 33 4.951 13.815 15.172 1.00 0.00 O ATOM 0 H TYR A 33 -2.922 11.877 14.237 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.590 13.179 12.946 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.116 12.889 15.521 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.621 11.226 15.276 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.687 10.918 13.970 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.546 14.507 15.948 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.038 11.595 14.096 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.899 15.185 16.074 1.00 0.00 H new ATOM 0 HH TYR A 33 5.016 14.686 15.617 1.00 0.00 H new ATOM 578 N CYS A 34 0.000 11.187 11.576 1.00 0.00 N ATOM 579 CA CYS A 34 0.418 9.965 10.833 1.00 0.00 C ATOM 580 C CYS A 34 1.883 10.000 10.450 1.00 0.00 C ATOM 581 O CYS A 34 2.386 10.996 9.993 1.00 0.00 O ATOM 582 CB CYS A 34 -0.428 9.882 9.548 1.00 0.00 C ATOM 583 SG CYS A 34 -1.853 8.759 9.541 1.00 0.00 S ATOM 0 H CYS A 34 0.214 12.076 11.124 1.00 0.00 H new ATOM 0 HA CYS A 34 0.267 9.099 11.478 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.791 10.884 9.321 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.232 9.590 8.731 1.00 0.00 H new ATOM 588 N TRP A 35 2.537 8.896 10.662 1.00 0.00 N ATOM 589 CA TRP A 35 3.978 8.805 10.325 1.00 0.00 C ATOM 590 C TRP A 35 4.355 7.355 10.024 1.00 0.00 C ATOM 591 O TRP A 35 3.855 6.442 10.648 1.00 0.00 O ATOM 592 CB TRP A 35 4.812 9.294 11.520 1.00 0.00 C ATOM 593 CG TRP A 35 5.322 8.079 12.317 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.430 7.426 12.018 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.750 7.573 13.397 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.522 6.487 12.971 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.496 6.511 13.892 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.585 7.942 14.051 1.00 0.00 C ATOM 599 CZ2 TRP A 35 5.087 5.838 15.025 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.179 7.264 15.184 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.929 6.214 15.670 1.00 0.00 C ATOM 0 H TRP A 35 2.131 8.048 11.057 1.00 0.00 H new ATOM 0 HA TRP A 35 4.176 9.423 9.449 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.653 9.893 11.170 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.208 9.936 12.161 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.106 7.607 11.196 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.286 5.812 13.011 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.993 8.762 13.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.675 5.016 15.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.271 7.557 15.691 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.609 5.686 16.556 1.00 0.00 H new ATOM 612 N CYS A 36 5.237 7.169 9.079 1.00 0.00 N ATOM 613 CA CYS A 36 5.654 5.781 8.728 1.00 0.00 C ATOM 614 C CYS A 36 6.620 5.203 9.754 1.00 0.00 C ATOM 615 O CYS A 36 7.696 5.717 9.947 1.00 0.00 O ATOM 616 CB CYS A 36 6.367 5.822 7.372 1.00 0.00 C ATOM 617 SG CYS A 36 6.049 4.463 6.217 1.00 0.00 S ATOM 0 H CYS A 36 5.683 7.911 8.539 1.00 0.00 H new ATOM 0 HA CYS A 36 4.763 5.153 8.702 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.095 6.754 6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.440 5.861 7.558 1.00 0.00 H new ATOM 622 N ASN A 37 6.221 4.132 10.384 1.00 0.00 N ATOM 623 CA ASN A 37 7.113 3.515 11.396 1.00 0.00 C ATOM 624 C ASN A 37 7.961 2.429 10.753 1.00 0.00 C ATOM 625 O ASN A 37 8.927 1.964 11.327 1.00 0.00 O ATOM 626 CB ASN A 37 6.246 2.873 12.489 1.00 0.00 C ATOM 627 CG ASN A 37 7.072 1.817 13.226 1.00 0.00 C ATOM 628 OD1 ASN A 37 6.696 0.662 13.305 1.00 0.00 O ATOM 629 ND2 ASN A 37 8.204 2.166 13.774 1.00 0.00 N ATOM 0 H ASN A 37 5.326 3.664 10.242 1.00 0.00 H new ATOM 0 HA ASN A 37 7.764 4.281 11.817 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.898 3.633 13.188 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.360 2.417 12.047 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.768 1.472 14.265 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.525 3.132 13.711 1.00 0.00 H new ATOM 636 N SER A 38 7.578 2.046 9.568 1.00 0.00 N ATOM 637 CA SER A 38 8.334 0.993 8.850 1.00 0.00 C ATOM 638 C SER A 38 7.787 0.822 7.440 1.00 0.00 C ATOM 639 O SER A 38 8.503 0.457 6.530 1.00 0.00 O ATOM 640 CB SER A 38 8.165 -0.332 9.609 1.00 0.00 C ATOM 641 OG SER A 38 9.483 -0.674 10.008 1.00 0.00 O ATOM 0 H SER A 38 6.772 2.420 9.067 1.00 0.00 H new ATOM 0 HA SER A 38 9.385 1.276 8.794 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.505 -0.217 10.469 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.729 -1.102 8.973 1.00 0.00 H new ATOM 0 HG SER A 38 9.836 0.021 10.602 1.00 0.00 H new ATOM 647 N GLY A 39 6.518 1.088 7.288 1.00 0.00 N ATOM 648 CA GLY A 39 5.892 0.949 5.944 1.00 0.00 C ATOM 649 C GLY A 39 4.403 0.636 6.082 1.00 0.00 C ATOM 650 O GLY A 39 3.752 0.282 5.119 1.00 0.00 O ATOM 0 H GLY A 39 5.891 1.394 8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.026 1.870 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.387 0.155 5.385 1.00 0.00 H new ATOM 654 N ARG A 40 3.899 0.774 7.286 1.00 0.00 N ATOM 655 CA ARG A 40 2.455 0.493 7.526 1.00 0.00 C ATOM 656 C ARG A 40 1.734 1.759 7.958 1.00 0.00 C ATOM 657 O ARG A 40 0.598 1.715 8.387 1.00 0.00 O ATOM 658 CB ARG A 40 2.341 -0.543 8.658 1.00 0.00 C ATOM 659 CG ARG A 40 3.064 -0.015 9.904 1.00 0.00 C ATOM 660 CD ARG A 40 3.028 -1.086 10.998 1.00 0.00 C ATOM 661 NE ARG A 40 4.034 -0.740 12.043 1.00 0.00 N ATOM 662 CZ ARG A 40 3.860 -1.164 13.266 1.00 0.00 C ATOM 663 NH1 ARG A 40 3.146 -0.442 14.086 1.00 0.00 N ATOM 664 NH2 ARG A 40 4.408 -2.291 13.626 1.00 0.00 N ATOM 0 H ARG A 40 4.427 1.068 8.108 1.00 0.00 H new ATOM 0 HA ARG A 40 2.005 0.120 6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.293 -0.735 8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.778 -1.491 8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.096 0.239 9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.586 0.899 10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.032 -1.143 11.437 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.246 -2.066 10.574 1.00 0.00 H new ATOM 0 HE ARG A 40 4.851 -0.177 11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.736 0.436 13.768 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.998 -0.756 15.045 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.962 -2.826 12.957 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.283 -2.638 14.577 1.00 0.00 H new ATOM 678 N ALA A 41 2.407 2.868 7.835 1.00 0.00 N ATOM 679 CA ALA A 41 1.781 4.147 8.233 1.00 0.00 C ATOM 680 C ALA A 41 1.286 4.076 9.671 1.00 0.00 C ATOM 681 O ALA A 41 0.182 3.635 9.928 1.00 0.00 O ATOM 682 CB ALA A 41 0.582 4.424 7.308 1.00 0.00 C ATOM 0 H ALA A 41 3.359 2.939 7.477 1.00 0.00 H new ATOM 0 HA ALA A 41 2.521 4.943 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.113 5.366 7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.926 4.488 6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.143 3.615 7.400 1.00 0.00 H new ATOM 688 N GLN A 42 2.110 4.514 10.584 1.00 0.00 N ATOM 689 CA GLN A 42 1.704 4.480 12.004 1.00 0.00 C ATOM 690 C GLN A 42 1.016 5.781 12.324 1.00 0.00 C ATOM 691 O GLN A 42 1.506 6.820 11.964 1.00 0.00 O ATOM 692 CB GLN A 42 2.975 4.351 12.861 1.00 0.00 C ATOM 693 CG GLN A 42 2.805 3.214 13.879 1.00 0.00 C ATOM 694 CD GLN A 42 1.744 3.605 14.909 1.00 0.00 C ATOM 695 OE1 GLN A 42 1.053 4.588 14.759 1.00 0.00 O ATOM 696 NE2 GLN A 42 1.586 2.862 15.971 1.00 0.00 N ATOM 0 H GLN A 42 3.040 4.891 10.402 1.00 0.00 H new ATOM 0 HA GLN A 42 1.033 3.644 12.204 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.836 4.154 12.223 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.171 5.289 13.380 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.511 2.296 13.369 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.754 3.013 14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.165 2.033 16.104 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.884 3.111 16.668 1.00 0.00 H new ATOM 705 N CYS A 43 -0.102 5.726 12.989 1.00 0.00 N ATOM 706 CA CYS A 43 -0.782 7.001 13.300 1.00 0.00 C ATOM 707 C CYS A 43 -1.539 6.975 14.607 1.00 0.00 C ATOM 708 O CYS A 43 -1.820 5.934 15.169 1.00 0.00 O ATOM 709 CB CYS A 43 -1.786 7.277 12.171 1.00 0.00 C ATOM 710 SG CYS A 43 -1.198 7.089 10.469 1.00 0.00 S ATOM 0 H CYS A 43 -0.560 4.877 13.321 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.017 7.772 13.388 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.639 6.612 12.308 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.154 8.296 12.289 1.00 0.00 H new ATOM 715 N HIS A 44 -1.853 8.152 15.057 1.00 0.00 N ATOM 716 CA HIS A 44 -2.599 8.300 16.325 1.00 0.00 C ATOM 717 C HIS A 44 -3.370 9.594 16.286 1.00 0.00 C ATOM 718 O HIS A 44 -3.359 10.277 15.280 1.00 0.00 O ATOM 719 CB HIS A 44 -1.618 8.303 17.520 1.00 0.00 C ATOM 720 CG HIS A 44 -0.635 9.464 17.411 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.532 9.368 16.978 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.783 10.783 17.783 1.00 0.00 C ATOM 723 CE1 HIS A 44 1.142 10.477 17.034 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.380 11.449 17.538 1.00 0.00 N ATOM 0 H HIS A 44 -1.620 9.029 14.591 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.288 7.464 16.446 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.175 8.379 18.454 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.072 7.360 17.551 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.678 11.219 18.202 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.163 10.619 16.711 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.608 12.430 17.698 1.00 0.00 H new ATOM 732 N SER A 45 -4.028 9.921 17.359 1.00 0.00 N ATOM 733 CA SER A 45 -4.805 11.188 17.360 1.00 0.00 C ATOM 734 C SER A 45 -4.704 11.950 18.672 1.00 0.00 C ATOM 735 O SER A 45 -5.081 11.461 19.718 1.00 0.00 O ATOM 736 CB SER A 45 -6.280 10.840 17.112 1.00 0.00 C ATOM 737 OG SER A 45 -6.995 11.756 17.927 1.00 0.00 O ATOM 0 H SER A 45 -4.063 9.377 18.221 1.00 0.00 H new ATOM 0 HA SER A 45 -4.393 11.830 16.582 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.544 10.952 16.060 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.498 9.808 17.387 1.00 0.00 H new ATOM 0 HG SER A 45 -7.957 11.601 17.826 1.00 0.00 H new ATOM 743 N VAL A 46 -4.183 13.146 18.572 1.00 0.00 N ATOM 744 CA VAL A 46 -4.029 14.008 19.768 1.00 0.00 C ATOM 745 C VAL A 46 -5.024 15.187 19.635 1.00 0.00 C ATOM 746 O VAL A 46 -4.737 16.145 18.947 1.00 0.00 O ATOM 747 CB VAL A 46 -2.595 14.580 19.774 1.00 0.00 C ATOM 748 CG1 VAL A 46 -2.543 15.817 20.685 1.00 0.00 C ATOM 749 CG2 VAL A 46 -1.633 13.516 20.310 1.00 0.00 C ATOM 0 H VAL A 46 -3.856 13.561 17.700 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.216 13.443 20.681 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.307 14.861 18.761 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.531 16.222 20.691 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.235 16.573 20.312 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.826 15.534 21.699 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.618 13.913 20.317 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.922 13.242 21.325 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.673 12.634 19.671 1.00 0.00 H new ATOM 759 N PRO A 47 -6.189 15.108 20.285 1.00 0.00 N ATOM 760 CA PRO A 47 -7.165 16.190 20.186 1.00 0.00 C ATOM 761 C PRO A 47 -6.644 17.496 20.760 1.00 0.00 C ATOM 762 O PRO A 47 -5.606 17.538 21.391 1.00 0.00 O ATOM 763 CB PRO A 47 -8.377 15.721 21.003 1.00 0.00 C ATOM 764 CG PRO A 47 -8.028 14.314 21.588 1.00 0.00 C ATOM 765 CD PRO A 47 -6.593 13.984 21.151 1.00 0.00 C ATOM 0 HA PRO A 47 -7.402 16.389 19.141 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.596 16.427 21.804 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.266 15.666 20.375 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.108 14.319 22.675 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.725 13.561 21.221 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.930 13.891 22.011 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.552 13.037 20.613 1.00 0.00 H new ATOM 773 N VAL A 48 -7.394 18.538 20.521 1.00 0.00 N ATOM 774 CA VAL A 48 -7.006 19.879 21.020 1.00 0.00 C ATOM 775 C VAL A 48 -8.028 20.414 22.021 1.00 0.00 C ATOM 776 O VAL A 48 -7.772 21.377 22.717 1.00 0.00 O ATOM 777 CB VAL A 48 -6.956 20.813 19.813 1.00 0.00 C ATOM 778 CG1 VAL A 48 -8.362 21.335 19.505 1.00 0.00 C ATOM 779 CG2 VAL A 48 -6.033 21.992 20.121 1.00 0.00 C ATOM 0 H VAL A 48 -8.268 18.512 19.995 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.043 19.817 21.526 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.577 20.266 18.950 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.322 22.001 18.643 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.022 20.496 19.285 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.745 21.880 20.368 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.996 22.660 19.260 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.413 22.535 20.986 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.030 21.623 20.337 1.00 0.00 H new ATOM 789 N LYS A 49 -9.167 19.780 22.076 1.00 0.00 N ATOM 790 CA LYS A 49 -10.213 20.240 23.022 1.00 0.00 C ATOM 791 C LYS A 49 -10.080 19.540 24.372 1.00 0.00 C ATOM 792 O LYS A 49 -10.861 18.669 24.703 1.00 0.00 O ATOM 793 CB LYS A 49 -11.588 19.903 22.423 1.00 0.00 C ATOM 794 CG LYS A 49 -12.674 20.642 23.210 1.00 0.00 C ATOM 795 CD LYS A 49 -14.044 20.319 22.609 1.00 0.00 C ATOM 796 CE LYS A 49 -14.397 21.377 21.558 1.00 0.00 C ATOM 797 NZ LYS A 49 -15.027 22.564 22.205 1.00 0.00 N ATOM 0 H LYS A 49 -9.414 18.969 21.509 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.102 21.313 23.177 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.622 20.193 21.373 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.762 18.828 22.462 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.645 20.345 24.258 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.495 21.717 23.178 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.030 19.328 22.154 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.802 20.300 23.392 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.497 21.681 21.023 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.078 20.953 20.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.260 23.272 21.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.896 22.272 22.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.364 22.978 22.892 1.00 0.00 H new ATOM 811 N SER A 50 -9.091 19.934 25.128 1.00 0.00 N ATOM 812 CA SER A 50 -8.892 19.303 26.456 1.00 0.00 C ATOM 813 C SER A 50 -10.169 19.371 27.286 1.00 0.00 C ATOM 814 O SER A 50 -10.275 18.550 28.183 1.00 0.00 O ATOM 815 CB SER A 50 -7.784 20.068 27.194 1.00 0.00 C ATOM 816 OG SER A 50 -7.211 19.101 28.061 1.00 0.00 O ATOM 817 OXT SER A 50 -10.968 20.241 26.980 1.00 0.00 O ATOM 0 H SER A 50 -8.419 20.661 24.882 1.00 0.00 H new ATOM 0 HA SER A 50 -8.622 18.256 26.315 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.045 20.467 26.499 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.187 20.913 27.751 1.00 0.00 H new ATOM 0 HG SER A 50 -7.922 18.556 28.459 1.00 0.00 H new TER 823 SER A 50