USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 434 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 Set 1.1: A 5 ASN : amide:sc= 1.71 K(o=1,f=-14!) USER MOD Set 1.2: A 13 THR OG1 : rot 85:sc= -0.687 USER MOD Set 2.1: A 4 HIS : no HE2:sc= 0.985 K(o=-3.8,f=-8.4!) USER MOD Set 2.2: A 61 ASN : amide:sc= -4.77! C(o=-3.8!,f=-10!) USER MOD Single : A 1 LEU N :NH3+ -132:sc= 0.0588 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 7 GLN : amide:sc= -1.29 X(o=-1.3,f=-0.98) USER MOD Single : A 8 SER OG : rot -72:sc= 1.11 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.082) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 43:sc= 0.198 USER MOD Single : A 18 SER OG : rot 180:sc= 0.1 USER MOD Single : A 22 ASN : amide:sc= -0.665 K(o=-0.67,f=-3.3) USER MOD Single : A 23 ASN :FLIP amide:sc= -1.21 F(o=-4.2!,f=-1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= 0.00905 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 10:sc= 0.246! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.74 K(o=-2.7,f=-3.9!) USER MOD Single : A 56 THR OG1 : rot 61:sc= 1.17 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 62 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.575 14.087 2.214 1.00 0.00 N ATOM 2 CA LEU A 1 1.130 13.275 1.052 1.00 0.00 C ATOM 3 C LEU A 1 -0.238 12.650 1.306 1.00 0.00 C ATOM 4 O LEU A 1 -0.781 12.748 2.407 1.00 0.00 O ATOM 5 CB LEU A 1 2.169 12.181 0.797 1.00 0.00 C ATOM 6 CG LEU A 1 2.344 11.784 -0.673 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.673 12.292 -1.211 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.243 10.274 -0.836 1.00 0.00 C ATOM 0 H1 LEU A 1 1.912 15.013 1.882 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.778 14.223 2.868 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.347 13.594 2.707 1.00 0.00 H new ATOM 0 HA LEU A 1 1.039 13.921 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.131 12.517 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.889 11.295 1.366 1.00 0.00 H new ATOM 0 HG LEU A 1 1.542 12.246 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.778 12.000 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.706 13.379 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.489 11.862 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.370 10.012 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.022 9.791 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.265 9.936 -0.493 1.00 0.00 H new ATOM 22 N GLU A 2 -0.788 12.008 0.281 1.00 0.00 N ATOM 23 CA GLU A 2 -2.094 11.365 0.392 1.00 0.00 C ATOM 24 C GLU A 2 -2.073 9.985 -0.256 1.00 0.00 C ATOM 25 O GLU A 2 -1.336 9.749 -1.213 1.00 0.00 O ATOM 26 CB GLU A 2 -3.170 12.234 -0.261 1.00 0.00 C ATOM 27 CG GLU A 2 -3.636 13.387 0.614 1.00 0.00 C ATOM 28 CD GLU A 2 -4.524 14.362 -0.132 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.202 14.690 -1.294 1.00 0.00 O ATOM 30 OE2 GLU A 2 -5.544 14.798 0.444 1.00 0.00 O ATOM 0 H GLU A 2 -0.351 11.919 -0.636 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.328 11.247 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.783 12.634 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.027 11.609 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.178 12.991 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.767 13.917 1.003 1.00 0.00 H new ATOM 37 N CYS A 3 -2.886 9.076 0.272 1.00 0.00 N ATOM 38 CA CYS A 3 -2.958 7.719 -0.256 1.00 0.00 C ATOM 39 C CYS A 3 -4.287 7.063 0.100 1.00 0.00 C ATOM 40 O CYS A 3 -5.167 7.697 0.682 1.00 0.00 O ATOM 41 CB CYS A 3 -1.800 6.878 0.285 1.00 0.00 C ATOM 42 SG CYS A 3 -0.329 6.863 -0.789 1.00 0.00 S ATOM 0 H CYS A 3 -3.503 9.254 1.064 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.883 7.775 -1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.516 7.258 1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.144 5.853 0.427 1.00 0.00 H new ATOM 47 N HIS A 4 -4.426 5.790 -0.255 1.00 0.00 N ATOM 48 CA HIS A 4 -5.645 5.046 0.023 1.00 0.00 C ATOM 49 C HIS A 4 -5.607 4.437 1.421 1.00 0.00 C ATOM 50 O HIS A 4 -4.544 4.061 1.915 1.00 0.00 O ATOM 51 CB HIS A 4 -5.828 3.947 -1.021 1.00 0.00 C ATOM 52 CG HIS A 4 -6.327 4.450 -2.339 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.647 4.777 -2.570 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.676 4.682 -3.503 1.00 0.00 C ATOM 55 CE1 HIS A 4 -7.785 5.188 -3.818 1.00 0.00 C ATOM 56 NE2 HIS A 4 -6.604 5.141 -4.406 1.00 0.00 N ATOM 0 H HIS A 4 -3.706 5.252 -0.737 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.488 5.735 -0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.876 3.439 -1.172 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.527 3.205 -0.636 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.399 4.712 -1.884 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.622 4.534 -3.688 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.708 5.508 -4.279 1.00 0.00 H new ATOM 65 N ASN A 5 -6.772 4.341 2.054 1.00 0.00 N ATOM 66 CA ASN A 5 -6.869 3.776 3.395 1.00 0.00 C ATOM 67 C ASN A 5 -7.566 2.422 3.365 1.00 0.00 C ATOM 68 O ASN A 5 -7.090 1.452 3.955 1.00 0.00 O ATOM 69 CB ASN A 5 -7.623 4.729 4.324 1.00 0.00 C ATOM 70 CG ASN A 5 -8.887 5.268 3.704 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.237 4.930 2.573 1.00 0.00 O ATOM 72 ND2 ASN A 5 -9.578 6.113 4.449 1.00 0.00 N ATOM 0 H ASN A 5 -7.662 4.647 1.660 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.857 3.637 3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.871 4.208 5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.971 5.561 4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.444 6.517 4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.245 6.361 5.381 1.00 0.00 H new ATOM 79 N GLN A 6 -8.693 2.363 2.670 1.00 0.00 N ATOM 80 CA GLN A 6 -9.459 1.128 2.557 1.00 0.00 C ATOM 81 C GLN A 6 -8.799 0.171 1.571 1.00 0.00 C ATOM 82 O GLN A 6 -7.935 0.569 0.788 1.00 0.00 O ATOM 83 CB GLN A 6 -10.891 1.430 2.110 1.00 0.00 C ATOM 84 CG GLN A 6 -11.909 0.418 2.609 1.00 0.00 C ATOM 85 CD GLN A 6 -12.955 1.039 3.515 1.00 0.00 C ATOM 86 OE1 GLN A 6 -13.979 1.541 3.048 1.00 0.00 O ATOM 87 NE2 GLN A 6 -12.703 1.008 4.818 1.00 0.00 N ATOM 0 H GLN A 6 -9.099 3.157 2.175 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.485 0.653 3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.172 2.421 2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.924 1.460 1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.403 -0.046 1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.392 -0.376 3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.842 0.582 5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.370 1.410 5.476 1.00 0.00 H new ATOM 96 N GLN A 7 -9.208 -1.092 1.614 1.00 0.00 N ATOM 97 CA GLN A 7 -8.655 -2.104 0.723 1.00 0.00 C ATOM 98 C GLN A 7 -9.711 -2.597 -0.261 1.00 0.00 C ATOM 99 O GLN A 7 -10.852 -2.137 -0.243 1.00 0.00 O ATOM 100 CB GLN A 7 -8.101 -3.279 1.531 1.00 0.00 C ATOM 101 CG GLN A 7 -9.121 -3.915 2.461 1.00 0.00 C ATOM 102 CD GLN A 7 -9.229 -3.192 3.790 1.00 0.00 C ATOM 103 OE1 GLN A 7 -10.314 -2.781 4.200 1.00 0.00 O ATOM 104 NE2 GLN A 7 -8.099 -3.032 4.469 1.00 0.00 N ATOM 0 H GLN A 7 -9.920 -1.439 2.256 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.842 -1.649 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.727 -4.037 0.843 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.250 -2.935 2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.096 -3.921 1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.847 -4.955 2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.222 -3.389 4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.108 -2.552 5.369 1.00 0.00 H new ATOM 113 N SER A 8 -9.320 -3.533 -1.121 1.00 0.00 N ATOM 114 CA SER A 8 -10.232 -4.087 -2.114 1.00 0.00 C ATOM 115 C SER A 8 -10.753 -2.992 -3.041 1.00 0.00 C ATOM 116 O SER A 8 -10.219 -1.882 -3.068 1.00 0.00 O ATOM 117 CB SER A 8 -11.402 -4.795 -1.427 1.00 0.00 C ATOM 118 OG SER A 8 -12.417 -3.875 -1.063 1.00 0.00 O ATOM 0 H SER A 8 -8.378 -3.923 -1.149 1.00 0.00 H new ATOM 0 HA SER A 8 -9.682 -4.814 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.815 -5.551 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.044 -5.316 -0.539 1.00 0.00 H new ATOM 0 HG SER A 8 -12.110 -3.331 -0.308 1.00 0.00 H new ATOM 124 N SER A 9 -11.796 -3.310 -3.800 1.00 0.00 N ATOM 125 CA SER A 9 -12.385 -2.352 -4.729 1.00 0.00 C ATOM 126 C SER A 9 -13.755 -1.881 -4.244 1.00 0.00 C ATOM 127 O SER A 9 -14.226 -0.814 -4.636 1.00 0.00 O ATOM 128 CB SER A 9 -12.513 -2.974 -6.121 1.00 0.00 C ATOM 129 OG SER A 9 -13.460 -4.029 -6.125 1.00 0.00 O ATOM 0 H SER A 9 -12.251 -4.223 -3.790 1.00 0.00 H new ATOM 0 HA SER A 9 -11.724 -1.487 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.813 -2.210 -6.838 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.543 -3.351 -6.445 1.00 0.00 H new ATOM 0 HG SER A 9 -13.524 -4.408 -7.027 1.00 0.00 H new ATOM 135 N GLN A 10 -14.389 -2.682 -3.393 1.00 0.00 N ATOM 136 CA GLN A 10 -15.704 -2.341 -2.863 1.00 0.00 C ATOM 137 C GLN A 10 -15.623 -1.145 -1.920 1.00 0.00 C ATOM 138 O GLN A 10 -14.925 -1.185 -0.907 1.00 0.00 O ATOM 139 CB GLN A 10 -16.308 -3.541 -2.132 1.00 0.00 C ATOM 140 CG GLN A 10 -17.071 -4.488 -3.045 1.00 0.00 C ATOM 141 CD GLN A 10 -18.529 -4.628 -2.656 1.00 0.00 C ATOM 142 OE1 GLN A 10 -19.071 -5.733 -2.621 1.00 0.00 O ATOM 143 NE2 GLN A 10 -19.175 -3.506 -2.361 1.00 0.00 N ATOM 0 H GLN A 10 -14.014 -3.569 -3.057 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.345 -2.073 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.510 -4.093 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.980 -3.181 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.006 -4.127 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -16.597 -5.469 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.688 -2.611 -2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.159 -3.539 -2.093 1.00 0.00 H new ATOM 152 N THR A 11 -16.346 -0.082 -2.260 1.00 0.00 N ATOM 153 CA THR A 11 -16.366 1.130 -1.447 1.00 0.00 C ATOM 154 C THR A 11 -14.951 1.639 -1.172 1.00 0.00 C ATOM 155 O THR A 11 -14.480 1.609 -0.034 1.00 0.00 O ATOM 156 CB THR A 11 -17.095 0.866 -0.129 1.00 0.00 C ATOM 157 OG1 THR A 11 -18.412 0.402 -0.368 1.00 0.00 O ATOM 158 CG2 THR A 11 -17.192 2.087 0.760 1.00 0.00 C ATOM 0 H THR A 11 -16.928 -0.036 -3.096 1.00 0.00 H new ATOM 0 HA THR A 11 -16.898 1.901 -2.005 1.00 0.00 H new ATOM 0 HB THR A 11 -16.497 0.112 0.383 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.861 0.237 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.721 1.828 1.677 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.190 2.439 1.006 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.735 2.875 0.238 1.00 0.00 H new ATOM 166 N PRO A 12 -14.252 2.116 -2.216 1.00 0.00 N ATOM 167 CA PRO A 12 -12.889 2.633 -2.083 1.00 0.00 C ATOM 168 C PRO A 12 -12.861 4.058 -1.539 1.00 0.00 C ATOM 169 O PRO A 12 -13.697 4.887 -1.899 1.00 0.00 O ATOM 170 CB PRO A 12 -12.371 2.599 -3.519 1.00 0.00 C ATOM 171 CG PRO A 12 -13.584 2.814 -4.359 1.00 0.00 C ATOM 172 CD PRO A 12 -14.735 2.190 -3.609 1.00 0.00 C ATOM 0 HA PRO A 12 -12.292 2.051 -1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.626 3.376 -3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.895 1.645 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.759 3.877 -4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.464 2.354 -5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -15.638 2.795 -3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.979 1.202 -4.001 1.00 0.00 H new ATOM 180 N THR A 13 -11.895 4.339 -0.669 1.00 0.00 N ATOM 181 CA THR A 13 -11.763 5.666 -0.077 1.00 0.00 C ATOM 182 C THR A 13 -10.319 6.151 -0.139 1.00 0.00 C ATOM 183 O THR A 13 -9.447 5.470 -0.680 1.00 0.00 O ATOM 184 CB THR A 13 -12.247 5.652 1.374 1.00 0.00 C ATOM 185 OG1 THR A 13 -12.002 4.391 1.972 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.724 5.947 1.516 1.00 0.00 C ATOM 0 H THR A 13 -11.193 3.667 -0.359 1.00 0.00 H new ATOM 0 HA THR A 13 -12.382 6.354 -0.652 1.00 0.00 H new ATOM 0 HB THR A 13 -11.686 6.442 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.088 4.368 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.000 5.921 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.939 6.935 1.109 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.299 5.198 0.972 1.00 0.00 H new ATOM 194 N THR A 14 -10.073 7.334 0.418 1.00 0.00 N ATOM 195 CA THR A 14 -8.735 7.914 0.426 1.00 0.00 C ATOM 196 C THR A 14 -8.358 8.397 1.823 1.00 0.00 C ATOM 197 O THR A 14 -9.193 8.427 2.727 1.00 0.00 O ATOM 198 CB THR A 14 -8.654 9.074 -0.567 1.00 0.00 C ATOM 199 OG1 THR A 14 -9.831 9.859 -0.518 1.00 0.00 O ATOM 200 CG2 THR A 14 -8.460 8.623 -2.000 1.00 0.00 C ATOM 0 H THR A 14 -10.784 7.909 0.870 1.00 0.00 H new ATOM 0 HA THR A 14 -8.029 7.139 0.128 1.00 0.00 H new ATOM 0 HB THR A 14 -7.781 9.653 -0.265 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.759 10.597 -1.159 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.411 9.495 -2.652 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.532 8.057 -2.081 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.297 7.993 -2.300 1.00 0.00 H new ATOM 208 N THR A 15 -7.094 8.772 1.992 1.00 0.00 N ATOM 209 CA THR A 15 -6.603 9.254 3.278 1.00 0.00 C ATOM 210 C THR A 15 -5.320 10.060 3.105 1.00 0.00 C ATOM 211 O THR A 15 -4.929 10.393 1.985 1.00 0.00 O ATOM 212 CB THR A 15 -6.356 8.077 4.224 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.000 8.538 5.515 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.259 7.147 3.751 1.00 0.00 C ATOM 0 H THR A 15 -6.391 8.751 1.254 1.00 0.00 H new ATOM 0 HA THR A 15 -7.363 9.906 3.708 1.00 0.00 H new ATOM 0 HB THR A 15 -7.295 7.523 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.577 9.290 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.136 6.335 4.468 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.526 6.735 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.324 7.701 3.666 1.00 0.00 H new ATOM 222 N GLY A 16 -4.666 10.363 4.221 1.00 0.00 N ATOM 223 CA GLY A 16 -3.437 11.117 4.179 1.00 0.00 C ATOM 224 C GLY A 16 -2.613 10.955 5.442 1.00 0.00 C ATOM 225 O GLY A 16 -3.018 11.397 6.517 1.00 0.00 O ATOM 0 H GLY A 16 -4.971 10.096 5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.847 10.796 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.667 12.172 4.032 1.00 0.00 H new ATOM 229 N CYS A 17 -1.453 10.319 5.311 1.00 0.00 N ATOM 230 CA CYS A 17 -0.569 10.097 6.449 1.00 0.00 C ATOM 231 C CYS A 17 0.248 11.349 6.759 1.00 0.00 C ATOM 232 O CYS A 17 0.031 12.406 6.166 1.00 0.00 O ATOM 233 CB CYS A 17 0.368 8.920 6.174 1.00 0.00 C ATOM 234 SG CYS A 17 -0.489 7.383 5.702 1.00 0.00 S ATOM 0 H CYS A 17 -1.104 9.948 4.427 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.188 9.865 7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.059 9.198 5.378 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.967 8.731 7.064 1.00 0.00 H new ATOM 239 N SER A 18 1.187 11.220 7.690 1.00 0.00 N ATOM 240 CA SER A 18 2.038 12.339 8.078 1.00 0.00 C ATOM 241 C SER A 18 3.115 12.594 7.029 1.00 0.00 C ATOM 242 O SER A 18 3.563 11.673 6.347 1.00 0.00 O ATOM 243 CB SER A 18 2.687 12.063 9.435 1.00 0.00 C ATOM 244 OG SER A 18 2.848 10.671 9.651 1.00 0.00 O ATOM 0 H SER A 18 1.378 10.352 8.190 1.00 0.00 H new ATOM 0 HA SER A 18 1.414 13.229 8.154 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.658 12.556 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.073 12.488 10.229 1.00 0.00 H new ATOM 0 HG SER A 18 3.266 10.522 10.524 1.00 0.00 H new ATOM 250 N GLY A 19 3.526 13.853 6.904 1.00 0.00 N ATOM 251 CA GLY A 19 4.545 14.215 5.936 1.00 0.00 C ATOM 252 C GLY A 19 5.767 13.319 6.006 1.00 0.00 C ATOM 253 O GLY A 19 6.284 12.881 4.978 1.00 0.00 O ATOM 0 H GLY A 19 3.169 14.631 7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.121 14.166 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.848 15.249 6.103 1.00 0.00 H new ATOM 257 N GLY A 20 6.231 13.047 7.223 1.00 0.00 N ATOM 258 CA GLY A 20 7.396 12.202 7.407 1.00 0.00 C ATOM 259 C GLY A 20 7.306 10.902 6.628 1.00 0.00 C ATOM 260 O GLY A 20 8.327 10.327 6.248 1.00 0.00 O ATOM 0 H GLY A 20 5.818 13.399 8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.287 12.746 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.513 11.978 8.467 1.00 0.00 H new ATOM 264 N GLU A 21 6.083 10.439 6.393 1.00 0.00 N ATOM 265 CA GLU A 21 5.863 9.200 5.657 1.00 0.00 C ATOM 266 C GLU A 21 5.194 9.476 4.314 1.00 0.00 C ATOM 267 O GLU A 21 3.975 9.630 4.236 1.00 0.00 O ATOM 268 CB GLU A 21 5.003 8.240 6.480 1.00 0.00 C ATOM 269 CG GLU A 21 5.254 6.774 6.163 1.00 0.00 C ATOM 270 CD GLU A 21 5.397 5.922 7.409 1.00 0.00 C ATOM 271 OE1 GLU A 21 6.378 6.124 8.157 1.00 0.00 O ATOM 272 OE2 GLU A 21 4.529 5.055 7.638 1.00 0.00 O ATOM 0 H GLU A 21 5.229 10.903 6.702 1.00 0.00 H new ATOM 0 HA GLU A 21 6.833 8.740 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.194 8.412 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.951 8.466 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.432 6.391 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.159 6.686 5.562 1.00 0.00 H new ATOM 279 N ASN A 22 6.000 9.536 3.258 1.00 0.00 N ATOM 280 CA ASN A 22 5.485 9.792 1.918 1.00 0.00 C ATOM 281 C ASN A 22 5.529 8.527 1.066 1.00 0.00 C ATOM 282 O ASN A 22 5.599 8.597 -0.161 1.00 0.00 O ATOM 283 CB ASN A 22 6.293 10.902 1.242 1.00 0.00 C ATOM 284 CG ASN A 22 5.850 12.287 1.675 1.00 0.00 C ATOM 285 OD1 ASN A 22 5.098 12.436 2.639 1.00 0.00 O ATOM 286 ND2 ASN A 22 6.315 13.307 0.964 1.00 0.00 N ATOM 0 H ASN A 22 7.011 9.411 3.305 1.00 0.00 H new ATOM 0 HA ASN A 22 4.447 10.111 2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.350 10.772 1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.193 10.813 0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.051 14.261 1.209 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.936 13.136 0.173 1.00 0.00 H new ATOM 293 N ASN A 23 5.487 7.371 1.723 1.00 0.00 N ATOM 294 CA ASN A 23 5.524 6.093 1.024 1.00 0.00 C ATOM 295 C ASN A 23 4.300 5.250 1.367 1.00 0.00 C ATOM 296 O ASN A 23 3.877 5.192 2.521 1.00 0.00 O ATOM 297 CB ASN A 23 6.797 5.330 1.389 1.00 0.00 C ATOM 298 CG ASN A 23 8.045 6.181 1.245 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.097 6.978 0.184 1.00 0.00 O flip ATOM 300 ND2 ASN A 23 8.951 6.122 2.076 1.00 0.00 N flip ATOM 0 H ASN A 23 5.427 7.295 2.738 1.00 0.00 H new ATOM 0 HA ASN A 23 5.518 6.292 -0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.721 4.973 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.885 4.450 0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.869 5.495 2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.784 6.700 1.964 1.00 0.00 H new ATOM 307 N CYS A 24 3.734 4.598 0.356 1.00 0.00 N ATOM 308 CA CYS A 24 2.558 3.757 0.554 1.00 0.00 C ATOM 309 C CYS A 24 2.750 2.388 -0.087 1.00 0.00 C ATOM 310 O CYS A 24 2.926 2.277 -1.300 1.00 0.00 O ATOM 311 CB CYS A 24 1.317 4.434 -0.027 1.00 0.00 C ATOM 312 SG CYS A 24 1.149 6.189 0.427 1.00 0.00 S ATOM 0 H CYS A 24 4.070 4.635 -0.606 1.00 0.00 H new ATOM 0 HA CYS A 24 2.421 3.619 1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.346 4.352 -1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.431 3.896 0.310 1.00 0.00 H new ATOM 317 N TYR A 25 2.726 1.347 0.738 1.00 0.00 N ATOM 318 CA TYR A 25 2.904 -0.005 0.269 1.00 0.00 C ATOM 319 C TYR A 25 1.576 -0.645 -0.121 1.00 0.00 C ATOM 320 O TYR A 25 0.511 -0.223 0.330 1.00 0.00 O ATOM 321 CB TYR A 25 3.597 -0.840 1.348 1.00 0.00 C ATOM 322 CG TYR A 25 2.701 -1.214 2.510 1.00 0.00 C ATOM 323 CD1 TYR A 25 2.418 -0.298 3.517 1.00 0.00 C ATOM 324 CD2 TYR A 25 2.140 -2.484 2.603 1.00 0.00 C ATOM 325 CE1 TYR A 25 1.605 -0.635 4.581 1.00 0.00 C ATOM 326 CE2 TYR A 25 1.324 -2.827 3.665 1.00 0.00 C ATOM 327 CZ TYR A 25 1.060 -1.899 4.651 1.00 0.00 C ATOM 328 OH TYR A 25 0.249 -2.237 5.709 1.00 0.00 O ATOM 0 H TYR A 25 2.583 1.425 1.745 1.00 0.00 H new ATOM 0 HA TYR A 25 3.528 0.027 -0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.985 -1.752 0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.454 -0.284 1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.841 0.694 3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.345 -3.213 1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.397 0.089 5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.895 -3.817 3.722 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.053 -3.164 5.606 1.00 0.00 H new ATOM 338 N LYS A 26 1.655 -1.678 -0.951 1.00 0.00 N ATOM 339 CA LYS A 26 0.473 -2.403 -1.400 1.00 0.00 C ATOM 340 C LYS A 26 0.706 -3.903 -1.258 1.00 0.00 C ATOM 341 O LYS A 26 1.470 -4.496 -2.019 1.00 0.00 O ATOM 342 CB LYS A 26 0.150 -2.055 -2.854 1.00 0.00 C ATOM 343 CG LYS A 26 -1.251 -2.463 -3.279 1.00 0.00 C ATOM 344 CD LYS A 26 -1.242 -3.779 -4.038 1.00 0.00 C ATOM 345 CE LYS A 26 -1.070 -3.558 -5.531 1.00 0.00 C ATOM 346 NZ LYS A 26 -1.464 -4.759 -6.320 1.00 0.00 N ATOM 0 H LYS A 26 2.533 -2.034 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.375 -2.111 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.266 -0.981 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.875 -2.543 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.887 -2.554 -2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.684 -1.683 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.434 -4.409 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.174 -4.314 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.672 -2.705 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.030 -3.309 -5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.332 -4.567 -7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.872 -5.567 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.463 -4.982 -6.137 1.00 0.00 H new ATOM 360 N LYS A 27 0.064 -4.508 -0.266 1.00 0.00 N ATOM 361 CA LYS A 27 0.224 -5.930 -0.013 1.00 0.00 C ATOM 362 C LYS A 27 -0.951 -6.731 -0.563 1.00 0.00 C ATOM 363 O LYS A 27 -2.106 -6.479 -0.219 1.00 0.00 O ATOM 364 CB LYS A 27 0.371 -6.170 1.489 1.00 0.00 C ATOM 365 CG LYS A 27 -0.601 -5.366 2.336 1.00 0.00 C ATOM 366 CD LYS A 27 -0.556 -5.791 3.795 1.00 0.00 C ATOM 367 CE LYS A 27 -1.122 -7.188 3.983 1.00 0.00 C ATOM 368 NZ LYS A 27 -1.400 -7.488 5.416 1.00 0.00 N ATOM 0 H LYS A 27 -0.572 -4.034 0.375 1.00 0.00 H new ATOM 0 HA LYS A 27 1.123 -6.270 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.226 -7.231 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.390 -5.924 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.362 -4.306 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.612 -5.494 1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.473 -5.763 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.123 -5.083 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.042 -7.287 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.418 -7.921 3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.918 -8.369 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.052 -6.707 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.425 -7.597 5.555 1.00 0.00 H new ATOM 382 N GLU A 28 -0.643 -7.702 -1.416 1.00 0.00 N ATOM 383 CA GLU A 28 -1.662 -8.552 -2.017 1.00 0.00 C ATOM 384 C GLU A 28 -1.431 -10.012 -1.640 1.00 0.00 C ATOM 385 O GLU A 28 -0.297 -10.426 -1.408 1.00 0.00 O ATOM 386 CB GLU A 28 -1.663 -8.399 -3.543 1.00 0.00 C ATOM 387 CG GLU A 28 -0.348 -7.892 -4.114 1.00 0.00 C ATOM 388 CD GLU A 28 -0.201 -8.190 -5.594 1.00 0.00 C ATOM 389 OE1 GLU A 28 -0.932 -9.067 -6.098 1.00 0.00 O ATOM 390 OE2 GLU A 28 0.646 -7.545 -6.247 1.00 0.00 O ATOM 0 H GLU A 28 0.310 -7.920 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.633 -8.239 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.896 -9.363 -3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.460 -7.713 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.278 -6.816 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.480 -8.349 -3.571 1.00 0.00 H new ATOM 397 N TRP A 29 -2.515 -10.782 -1.574 1.00 0.00 N ATOM 398 CA TRP A 29 -2.443 -12.197 -1.220 1.00 0.00 C ATOM 399 C TRP A 29 -3.703 -12.929 -1.688 1.00 0.00 C ATOM 400 O TRP A 29 -4.812 -12.409 -1.560 1.00 0.00 O ATOM 401 CB TRP A 29 -2.273 -12.361 0.297 1.00 0.00 C ATOM 402 CG TRP A 29 -3.494 -12.014 1.090 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.228 -12.872 1.846 1.00 0.00 C ATOM 404 CD2 TRP A 29 -4.117 -10.729 1.218 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.277 -12.210 2.435 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.231 -10.890 2.065 1.00 0.00 C ATOM 407 CE3 TRP A 29 -3.847 -9.458 0.701 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -6.071 -9.833 2.405 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -4.681 -8.410 1.040 1.00 0.00 C ATOM 410 CH2 TRP A 29 -5.781 -8.601 1.884 1.00 0.00 C ATOM 0 H TRP A 29 -3.460 -10.446 -1.763 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.578 -12.633 -1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.995 -13.393 0.511 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.447 -11.733 0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.017 -13.924 1.966 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.976 -12.631 3.047 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.001 -9.298 0.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.920 -9.980 3.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.480 -7.425 0.646 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.413 -7.760 2.129 1.00 0.00 H new ATOM 421 N ARG A 30 -3.532 -14.133 -2.229 1.00 0.00 N ATOM 422 CA ARG A 30 -4.658 -14.921 -2.710 1.00 0.00 C ATOM 423 C ARG A 30 -5.039 -16.000 -1.700 1.00 0.00 C ATOM 424 O ARG A 30 -4.283 -16.289 -0.772 1.00 0.00 O ATOM 425 CB ARG A 30 -4.325 -15.563 -4.059 1.00 0.00 C ATOM 426 CG ARG A 30 -2.899 -16.080 -4.169 1.00 0.00 C ATOM 427 CD ARG A 30 -2.634 -16.687 -5.537 1.00 0.00 C ATOM 428 NE ARG A 30 -1.208 -16.729 -5.851 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.382 -17.684 -5.427 1.00 0.00 C ATOM 430 NH1 ARG A 30 -0.834 -18.676 -4.669 1.00 0.00 N ATOM 431 NH2 ARG A 30 0.901 -17.646 -5.761 1.00 0.00 N ATOM 0 H ARG A 30 -2.623 -14.582 -2.344 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.508 -14.250 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.014 -16.389 -4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.496 -14.832 -4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.199 -15.264 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.721 -16.828 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.042 -17.697 -5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.156 -16.107 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.822 -15.983 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.819 -18.710 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.196 -19.404 -4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.254 -16.886 -6.342 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.534 -18.377 -5.437 1.00 0.00 H new ATOM 445 N ASP A 31 -6.213 -16.594 -1.890 1.00 0.00 N ATOM 446 CA ASP A 31 -6.693 -17.643 -0.996 1.00 0.00 C ATOM 447 C ASP A 31 -7.042 -18.907 -1.775 1.00 0.00 C ATOM 448 O ASP A 31 -6.563 -19.996 -1.458 1.00 0.00 O ATOM 449 CB ASP A 31 -7.913 -17.159 -0.210 1.00 0.00 C ATOM 450 CG ASP A 31 -8.921 -16.440 -1.086 1.00 0.00 C ATOM 451 OD1 ASP A 31 -8.759 -15.220 -1.299 1.00 0.00 O ATOM 452 OD2 ASP A 31 -9.870 -17.099 -1.561 1.00 0.00 O ATOM 0 H ASP A 31 -6.849 -16.367 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.892 -17.880 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.395 -18.012 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.586 -16.490 0.586 1.00 0.00 H new ATOM 457 N ASN A 32 -7.878 -18.755 -2.797 1.00 0.00 N ATOM 458 CA ASN A 32 -8.288 -19.885 -3.623 1.00 0.00 C ATOM 459 C ASN A 32 -9.139 -19.416 -4.800 1.00 0.00 C ATOM 460 O ASN A 32 -8.686 -19.423 -5.945 1.00 0.00 O ATOM 461 CB ASN A 32 -9.065 -20.903 -2.786 1.00 0.00 C ATOM 462 CG ASN A 32 -8.674 -22.333 -3.105 1.00 0.00 C ATOM 463 OD1 ASN A 32 -9.226 -22.951 -4.016 1.00 0.00 O ATOM 464 ND2 ASN A 32 -7.717 -22.867 -2.356 1.00 0.00 N ATOM 0 H ASN A 32 -8.285 -17.861 -3.073 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.390 -20.362 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.890 -20.709 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.133 -20.774 -2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.412 -23.826 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.287 -22.319 -1.611 1.00 0.00 H new ATOM 471 N ARG A 33 -10.370 -19.008 -4.513 1.00 0.00 N ATOM 472 CA ARG A 33 -11.279 -18.536 -5.544 1.00 0.00 C ATOM 473 C ARG A 33 -10.845 -17.171 -6.066 1.00 0.00 C ATOM 474 O ARG A 33 -10.926 -16.898 -7.264 1.00 0.00 O ATOM 475 CB ARG A 33 -12.698 -18.458 -4.991 1.00 0.00 C ATOM 476 CG ARG A 33 -12.814 -17.563 -3.772 1.00 0.00 C ATOM 477 CD ARG A 33 -13.815 -18.111 -2.767 1.00 0.00 C ATOM 478 NE ARG A 33 -13.817 -17.342 -1.525 1.00 0.00 N ATOM 479 CZ ARG A 33 -14.835 -17.318 -0.667 1.00 0.00 C ATOM 480 NH1 ARG A 33 -15.932 -18.025 -0.907 1.00 0.00 N ATOM 481 NH2 ARG A 33 -14.754 -16.588 0.436 1.00 0.00 N ATOM 0 H ARG A 33 -10.760 -18.996 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.256 -19.243 -6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.365 -18.089 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.036 -19.461 -4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.838 -17.466 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.119 -16.563 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.813 -18.097 -3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.577 -19.152 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.989 -16.790 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.999 -18.591 -1.753 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.708 -18.002 -0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.912 -16.045 0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.534 -16.569 1.094 1.00 0.00 H new ATOM 495 N GLY A 34 -10.386 -16.316 -5.158 1.00 0.00 N ATOM 496 CA GLY A 34 -9.946 -14.989 -5.543 1.00 0.00 C ATOM 497 C GLY A 34 -8.778 -14.500 -4.709 1.00 0.00 C ATOM 498 O GLY A 34 -7.979 -15.299 -4.218 1.00 0.00 O ATOM 0 H GLY A 34 -10.311 -16.519 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.660 -14.996 -6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.777 -14.291 -5.443 1.00 0.00 H new ATOM 502 N TYR A 35 -8.677 -13.185 -4.550 1.00 0.00 N ATOM 503 CA TYR A 35 -7.598 -12.589 -3.771 1.00 0.00 C ATOM 504 C TYR A 35 -7.986 -11.198 -3.280 1.00 0.00 C ATOM 505 O TYR A 35 -9.026 -10.662 -3.662 1.00 0.00 O ATOM 506 CB TYR A 35 -6.320 -12.510 -4.606 1.00 0.00 C ATOM 507 CG TYR A 35 -6.548 -12.029 -6.022 1.00 0.00 C ATOM 508 CD1 TYR A 35 -6.998 -10.740 -6.274 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.313 -12.866 -7.106 1.00 0.00 C ATOM 510 CE1 TYR A 35 -7.209 -10.297 -7.566 1.00 0.00 C ATOM 511 CE2 TYR A 35 -6.520 -12.430 -8.401 1.00 0.00 C ATOM 512 CZ TYR A 35 -6.967 -11.146 -8.626 1.00 0.00 C ATOM 513 OH TYR A 35 -7.174 -10.709 -9.914 1.00 0.00 O ATOM 0 H TYR A 35 -9.330 -12.511 -4.950 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.417 -13.224 -2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.615 -11.840 -4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.855 -13.495 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.186 -10.072 -5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.963 -13.873 -6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.561 -9.292 -7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.332 -13.093 -9.233 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.956 -11.428 -10.543 1.00 0.00 H new ATOM 523 N ARG A 36 -7.141 -10.618 -2.432 1.00 0.00 N ATOM 524 CA ARG A 36 -7.397 -9.289 -1.890 1.00 0.00 C ATOM 525 C ARG A 36 -6.106 -8.485 -1.780 1.00 0.00 C ATOM 526 O ARG A 36 -5.011 -9.048 -1.758 1.00 0.00 O ATOM 527 CB ARG A 36 -8.066 -9.395 -0.518 1.00 0.00 C ATOM 528 CG ARG A 36 -9.239 -10.363 -0.486 1.00 0.00 C ATOM 529 CD ARG A 36 -8.842 -11.707 0.106 1.00 0.00 C ATOM 530 NE ARG A 36 -9.553 -11.988 1.350 1.00 0.00 N ATOM 531 CZ ARG A 36 -10.805 -12.438 1.404 1.00 0.00 C ATOM 532 NH1 ARG A 36 -11.487 -12.657 0.286 1.00 0.00 N ATOM 533 NH2 ARG A 36 -11.376 -12.670 2.577 1.00 0.00 N ATOM 0 H ARG A 36 -6.275 -11.047 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.067 -8.769 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.324 -9.712 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.413 -8.407 -0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.051 -9.932 0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.619 -10.508 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.049 -12.497 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.768 -11.718 0.292 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.061 -11.830 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.052 -12.481 -0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.446 -13.002 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.856 -12.504 3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.335 -13.015 2.618 1.00 0.00 H new ATOM 547 N THR A 37 -6.243 -7.166 -1.712 1.00 0.00 N ATOM 548 CA THR A 37 -5.091 -6.276 -1.605 1.00 0.00 C ATOM 549 C THR A 37 -5.407 -5.095 -0.693 1.00 0.00 C ATOM 550 O THR A 37 -6.418 -4.417 -0.876 1.00 0.00 O ATOM 551 CB THR A 37 -4.680 -5.769 -2.989 1.00 0.00 C ATOM 552 OG1 THR A 37 -5.509 -4.693 -3.394 1.00 0.00 O ATOM 553 CG2 THR A 37 -4.753 -6.832 -4.065 1.00 0.00 C ATOM 0 H THR A 37 -7.143 -6.687 -1.729 1.00 0.00 H new ATOM 0 HA THR A 37 -4.264 -6.840 -1.173 1.00 0.00 H new ATOM 0 HB THR A 37 -3.642 -5.453 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.067 -4.409 -2.641 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.448 -6.404 -5.020 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.088 -7.656 -3.808 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.775 -7.202 -4.143 1.00 0.00 H new ATOM 561 N GLU A 38 -4.540 -4.846 0.286 1.00 0.00 N ATOM 562 CA GLU A 38 -4.740 -3.741 1.212 1.00 0.00 C ATOM 563 C GLU A 38 -3.631 -2.706 1.061 1.00 0.00 C ATOM 564 O GLU A 38 -2.507 -3.035 0.682 1.00 0.00 O ATOM 565 CB GLU A 38 -4.807 -4.237 2.662 1.00 0.00 C ATOM 566 CG GLU A 38 -4.067 -5.540 2.929 1.00 0.00 C ATOM 567 CD GLU A 38 -4.630 -6.294 4.118 1.00 0.00 C ATOM 568 OE1 GLU A 38 -5.340 -5.669 4.935 1.00 0.00 O ATOM 569 OE2 GLU A 38 -4.363 -7.509 4.231 1.00 0.00 O ATOM 0 H GLU A 38 -3.696 -5.394 0.456 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.693 -3.272 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.399 -3.464 3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.853 -4.367 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.121 -6.173 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.013 -5.326 3.105 1.00 0.00 H new ATOM 576 N ARG A 39 -3.960 -1.453 1.353 1.00 0.00 N ATOM 577 CA ARG A 39 -2.997 -0.363 1.245 1.00 0.00 C ATOM 578 C ARG A 39 -2.336 -0.079 2.590 1.00 0.00 C ATOM 579 O ARG A 39 -2.462 -0.861 3.533 1.00 0.00 O ATOM 580 CB ARG A 39 -3.680 0.905 0.724 1.00 0.00 C ATOM 581 CG ARG A 39 -4.859 0.637 -0.202 1.00 0.00 C ATOM 582 CD ARG A 39 -4.428 -0.113 -1.453 1.00 0.00 C ATOM 583 NE ARG A 39 -5.490 -0.159 -2.455 1.00 0.00 N ATOM 584 CZ ARG A 39 -5.434 -0.897 -3.562 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.371 -1.651 -3.812 1.00 0.00 N ATOM 586 NH2 ARG A 39 -6.443 -0.880 -4.421 1.00 0.00 N ATOM 0 H ARG A 39 -4.887 -1.166 1.667 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.225 -0.669 0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.025 1.495 1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.945 1.510 0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.615 0.058 0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.323 1.582 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.548 0.368 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.138 -1.129 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.323 0.407 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.591 -1.667 -3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.334 -2.214 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.262 -0.302 -4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.400 -1.445 -5.269 1.00 0.00 H new ATOM 600 N GLY A 40 -1.631 1.045 2.670 1.00 0.00 N ATOM 601 CA GLY A 40 -0.959 1.418 3.901 1.00 0.00 C ATOM 602 C GLY A 40 0.197 2.368 3.661 1.00 0.00 C ATOM 603 O GLY A 40 0.605 2.584 2.520 1.00 0.00 O ATOM 0 H GLY A 40 -1.513 1.706 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.676 1.885 4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.591 0.520 4.398 1.00 0.00 H new ATOM 607 N CYS A 41 0.729 2.938 4.738 1.00 0.00 N ATOM 608 CA CYS A 41 1.845 3.870 4.637 1.00 0.00 C ATOM 609 C CYS A 41 3.135 3.233 5.144 1.00 0.00 C ATOM 610 O CYS A 41 3.105 2.319 5.967 1.00 0.00 O ATOM 611 CB CYS A 41 1.543 5.145 5.425 1.00 0.00 C ATOM 612 SG CYS A 41 0.808 6.480 4.426 1.00 0.00 S ATOM 0 H CYS A 41 0.405 2.770 5.690 1.00 0.00 H new ATOM 0 HA CYS A 41 1.980 4.126 3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.864 4.902 6.243 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.467 5.509 5.875 1.00 0.00 H new ATOM 617 N GLY A 42 4.266 3.724 4.648 1.00 0.00 N ATOM 618 CA GLY A 42 5.551 3.191 5.063 1.00 0.00 C ATOM 619 C GLY A 42 5.860 1.857 4.413 1.00 0.00 C ATOM 620 O GLY A 42 4.955 1.144 3.982 1.00 0.00 O ATOM 0 H GLY A 42 4.316 4.481 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.336 3.905 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.560 3.075 6.147 1.00 0.00 H new ATOM 624 N CYS A 43 7.143 1.516 4.343 1.00 0.00 N ATOM 625 CA CYS A 43 7.568 0.257 3.742 1.00 0.00 C ATOM 626 C CYS A 43 8.361 -0.585 4.738 1.00 0.00 C ATOM 627 O CYS A 43 9.588 -0.652 4.668 1.00 0.00 O ATOM 628 CB CYS A 43 8.413 0.524 2.495 1.00 0.00 C ATOM 629 SG CYS A 43 8.642 -0.934 1.426 1.00 0.00 S ATOM 0 H CYS A 43 7.906 2.094 4.695 1.00 0.00 H new ATOM 0 HA CYS A 43 6.675 -0.299 3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.943 1.317 1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.391 0.892 2.804 1.00 0.00 H new ATOM 634 N PRO A 44 7.667 -1.245 5.681 1.00 0.00 N ATOM 635 CA PRO A 44 8.313 -2.087 6.694 1.00 0.00 C ATOM 636 C PRO A 44 9.183 -3.173 6.070 1.00 0.00 C ATOM 637 O PRO A 44 9.491 -3.129 4.878 1.00 0.00 O ATOM 638 CB PRO A 44 7.137 -2.716 7.447 1.00 0.00 C ATOM 639 CG PRO A 44 5.993 -1.791 7.210 1.00 0.00 C ATOM 640 CD PRO A 44 6.201 -1.222 5.837 1.00 0.00 C ATOM 0 HA PRO A 44 8.983 -1.511 7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.919 -3.717 7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.354 -2.811 8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.043 -2.321 7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.968 -1.001 7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.705 -1.822 5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.803 -0.210 5.756 1.00 0.00 H new ATOM 648 N SER A 45 9.576 -4.149 6.881 1.00 0.00 N ATOM 649 CA SER A 45 10.411 -5.247 6.409 1.00 0.00 C ATOM 650 C SER A 45 9.860 -6.589 6.880 1.00 0.00 C ATOM 651 O SER A 45 10.597 -7.433 7.389 1.00 0.00 O ATOM 652 CB SER A 45 11.850 -5.069 6.897 1.00 0.00 C ATOM 653 OG SER A 45 12.606 -4.292 5.985 1.00 0.00 O ATOM 0 H SER A 45 9.329 -4.202 7.869 1.00 0.00 H new ATOM 0 HA SER A 45 10.403 -5.235 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.849 -4.588 7.875 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.318 -6.045 7.023 1.00 0.00 H new ATOM 0 HG SER A 45 13.521 -4.192 6.321 1.00 0.00 H new ATOM 659 N VAL A 46 8.556 -6.779 6.707 1.00 0.00 N ATOM 660 CA VAL A 46 7.901 -8.012 7.111 1.00 0.00 C ATOM 661 C VAL A 46 8.118 -9.114 6.080 1.00 0.00 C ATOM 662 O VAL A 46 8.759 -8.899 5.052 1.00 0.00 O ATOM 663 CB VAL A 46 6.390 -7.797 7.307 1.00 0.00 C ATOM 664 CG1 VAL A 46 6.117 -7.050 8.603 1.00 0.00 C ATOM 665 CG2 VAL A 46 5.792 -7.057 6.119 1.00 0.00 C ATOM 0 H VAL A 46 7.932 -6.090 6.288 1.00 0.00 H new ATOM 0 HA VAL A 46 8.347 -8.316 8.058 1.00 0.00 H new ATOM 0 HB VAL A 46 5.912 -8.775 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.043 -6.909 8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.502 -7.627 9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.610 -6.078 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.723 -6.916 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.275 -6.085 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.949 -7.639 5.211 1.00 0.00 H new ATOM 675 N LYS A 47 7.576 -10.295 6.361 1.00 0.00 N ATOM 676 CA LYS A 47 7.709 -11.431 5.456 1.00 0.00 C ATOM 677 C LYS A 47 6.687 -11.350 4.328 1.00 0.00 C ATOM 678 O LYS A 47 5.481 -11.323 4.571 1.00 0.00 O ATOM 679 CB LYS A 47 7.535 -12.744 6.224 1.00 0.00 C ATOM 680 CG LYS A 47 6.294 -12.775 7.102 1.00 0.00 C ATOM 681 CD LYS A 47 6.652 -12.699 8.579 1.00 0.00 C ATOM 682 CE LYS A 47 5.415 -12.521 9.443 1.00 0.00 C ATOM 683 NZ LYS A 47 5.456 -13.383 10.656 1.00 0.00 N ATOM 0 H LYS A 47 7.041 -10.490 7.207 1.00 0.00 H new ATOM 0 HA LYS A 47 8.708 -11.402 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.487 -13.568 5.512 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.414 -12.911 6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.642 -11.941 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.734 -13.690 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.176 -13.608 8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.337 -11.868 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.329 -11.477 9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.526 -12.759 8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.594 -13.232 11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.513 -14.381 10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.290 -13.139 11.228 1.00 0.00 H new ATOM 697 N LYS A 48 7.176 -11.307 3.093 1.00 0.00 N ATOM 698 CA LYS A 48 6.304 -11.224 1.927 1.00 0.00 C ATOM 699 C LYS A 48 5.969 -12.615 1.396 1.00 0.00 C ATOM 700 O LYS A 48 6.666 -13.587 1.686 1.00 0.00 O ATOM 701 CB LYS A 48 6.966 -10.393 0.828 1.00 0.00 C ATOM 702 CG LYS A 48 8.262 -10.992 0.308 1.00 0.00 C ATOM 703 CD LYS A 48 9.477 -10.335 0.944 1.00 0.00 C ATOM 704 CE LYS A 48 10.626 -11.317 1.104 1.00 0.00 C ATOM 705 NZ LYS A 48 11.833 -10.889 0.344 1.00 0.00 N ATOM 0 H LYS A 48 8.172 -11.328 2.874 1.00 0.00 H new ATOM 0 HA LYS A 48 5.377 -10.739 2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.268 -10.282 -0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.166 -9.393 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.277 -12.062 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.309 -10.875 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.799 -9.494 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.204 -9.932 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.877 -11.413 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.312 -12.303 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.593 -11.585 0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.601 -10.822 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.149 -9.960 0.689 1.00 0.00 H new ATOM 719 N GLY A 49 4.895 -12.701 0.617 1.00 0.00 N ATOM 720 CA GLY A 49 4.483 -13.975 0.056 1.00 0.00 C ATOM 721 C GLY A 49 3.776 -13.821 -1.276 1.00 0.00 C ATOM 722 O GLY A 49 4.402 -13.912 -2.333 1.00 0.00 O ATOM 0 H GLY A 49 4.302 -11.910 0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.358 -14.612 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.821 -14.481 0.759 1.00 0.00 H new ATOM 726 N ILE A 50 2.468 -13.586 -1.227 1.00 0.00 N ATOM 727 CA ILE A 50 1.678 -13.419 -2.439 1.00 0.00 C ATOM 728 C ILE A 50 2.185 -12.262 -3.294 1.00 0.00 C ATOM 729 O ILE A 50 2.595 -12.458 -4.437 1.00 0.00 O ATOM 730 CB ILE A 50 0.212 -13.225 -2.119 1.00 0.00 C ATOM 731 CG1 ILE A 50 -0.304 -14.498 -1.439 1.00 0.00 C ATOM 732 CG2 ILE A 50 -0.564 -12.925 -3.407 1.00 0.00 C ATOM 733 CD1 ILE A 50 -0.346 -15.703 -2.354 1.00 0.00 C ATOM 0 H ILE A 50 1.935 -13.507 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 50 1.790 -14.338 -3.014 1.00 0.00 H new ATOM 0 HB ILE A 50 0.072 -12.379 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.331 -14.725 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.306 -14.312 -1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.619 -12.786 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.172 -12.017 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.454 -13.758 -4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.721 -16.565 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.005 -15.497 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.658 -15.916 -2.721 1.00 0.00 H new ATOM 745 N GLY A 51 2.155 -11.057 -2.733 1.00 0.00 N ATOM 746 CA GLY A 51 2.615 -9.890 -3.463 1.00 0.00 C ATOM 747 C GLY A 51 2.860 -8.697 -2.559 1.00 0.00 C ATOM 748 O GLY A 51 2.153 -8.504 -1.570 1.00 0.00 O ATOM 0 H GLY A 51 1.821 -10.868 -1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.536 -10.136 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.876 -9.623 -4.218 1.00 0.00 H new ATOM 752 N ILE A 52 3.865 -7.897 -2.899 1.00 0.00 N ATOM 753 CA ILE A 52 4.202 -6.718 -2.111 1.00 0.00 C ATOM 754 C ILE A 52 4.967 -5.696 -2.949 1.00 0.00 C ATOM 755 O ILE A 52 6.011 -6.007 -3.523 1.00 0.00 O ATOM 756 CB ILE A 52 5.042 -7.092 -0.872 1.00 0.00 C ATOM 757 CG1 ILE A 52 5.295 -5.858 -0.003 1.00 0.00 C ATOM 758 CG2 ILE A 52 6.358 -7.729 -1.293 1.00 0.00 C ATOM 759 CD1 ILE A 52 5.226 -6.140 1.481 1.00 0.00 C ATOM 0 H ILE A 52 4.460 -8.044 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 52 3.262 -6.277 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 52 4.482 -7.818 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.277 -5.451 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.562 -5.091 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.938 -7.986 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.157 -8.632 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.923 -7.026 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.415 -5.221 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.236 -6.519 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.977 -6.884 1.745 1.00 0.00 H new ATOM 771 N ASN A 53 4.441 -4.478 -3.013 1.00 0.00 N ATOM 772 CA ASN A 53 5.073 -3.409 -3.778 1.00 0.00 C ATOM 773 C ASN A 53 5.001 -2.087 -3.021 1.00 0.00 C ATOM 774 O ASN A 53 3.942 -1.696 -2.534 1.00 0.00 O ATOM 775 CB ASN A 53 4.401 -3.265 -5.144 1.00 0.00 C ATOM 776 CG ASN A 53 2.888 -3.229 -5.041 1.00 0.00 C ATOM 777 OD1 ASN A 53 2.267 -2.178 -5.205 1.00 0.00 O ATOM 778 ND2 ASN A 53 2.286 -4.380 -4.769 1.00 0.00 N ATOM 0 H ASN A 53 3.577 -4.206 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 53 6.122 -3.669 -3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.752 -2.352 -5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.700 -4.096 -5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.270 -4.418 -4.688 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.839 -5.227 -4.641 1.00 0.00 H new ATOM 785 N CYS A 54 6.137 -1.403 -2.924 1.00 0.00 N ATOM 786 CA CYS A 54 6.201 -0.126 -2.222 1.00 0.00 C ATOM 787 C CYS A 54 6.405 1.027 -3.198 1.00 0.00 C ATOM 788 O CYS A 54 7.354 1.030 -3.982 1.00 0.00 O ATOM 789 CB CYS A 54 7.334 -0.143 -1.193 1.00 0.00 C ATOM 790 SG CYS A 54 6.924 -1.022 0.350 1.00 0.00 S ATOM 0 H CYS A 54 7.024 -1.711 -3.322 1.00 0.00 H new ATOM 0 HA CYS A 54 5.251 0.023 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.211 -0.609 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.607 0.884 -0.952 1.00 0.00 H new ATOM 795 N CYS A 55 5.510 2.009 -3.143 1.00 0.00 N ATOM 796 CA CYS A 55 5.595 3.173 -4.018 1.00 0.00 C ATOM 797 C CYS A 55 5.669 4.458 -3.200 1.00 0.00 C ATOM 798 O CYS A 55 5.518 4.436 -1.979 1.00 0.00 O ATOM 799 CB CYS A 55 4.391 3.222 -4.961 1.00 0.00 C ATOM 800 SG CYS A 55 2.795 2.887 -4.150 1.00 0.00 S ATOM 0 H CYS A 55 4.717 2.021 -2.501 1.00 0.00 H new ATOM 0 HA CYS A 55 6.505 3.085 -4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.349 4.206 -5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.540 2.496 -5.760 1.00 0.00 H new ATOM 805 N THR A 56 5.903 5.575 -3.879 1.00 0.00 N ATOM 806 CA THR A 56 5.997 6.868 -3.208 1.00 0.00 C ATOM 807 C THR A 56 5.306 7.959 -4.021 1.00 0.00 C ATOM 808 O THR A 56 5.891 9.005 -4.305 1.00 0.00 O ATOM 809 CB THR A 56 7.464 7.238 -2.969 1.00 0.00 C ATOM 810 OG1 THR A 56 8.042 7.787 -4.140 1.00 0.00 O ATOM 811 CG2 THR A 56 8.320 6.065 -2.543 1.00 0.00 C ATOM 0 H THR A 56 6.031 5.613 -4.890 1.00 0.00 H new ATOM 0 HA THR A 56 5.490 6.787 -2.246 1.00 0.00 H new ATOM 0 HB THR A 56 7.446 7.966 -2.158 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.556 8.598 -4.395 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.346 6.400 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.932 5.651 -1.612 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.299 5.299 -3.318 1.00 0.00 H new ATOM 819 N THR A 57 4.054 7.710 -4.390 1.00 0.00 N ATOM 820 CA THR A 57 3.279 8.670 -5.167 1.00 0.00 C ATOM 821 C THR A 57 1.835 8.724 -4.678 1.00 0.00 C ATOM 822 O THR A 57 1.324 7.760 -4.109 1.00 0.00 O ATOM 823 CB THR A 57 3.319 8.309 -6.653 1.00 0.00 C ATOM 824 OG1 THR A 57 3.632 6.939 -6.830 1.00 0.00 O ATOM 825 CG2 THR A 57 4.333 9.115 -7.435 1.00 0.00 C ATOM 0 H THR A 57 3.554 6.850 -4.163 1.00 0.00 H new ATOM 0 HA THR A 57 3.725 9.655 -5.032 1.00 0.00 H new ATOM 0 HB THR A 57 2.323 8.538 -7.032 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.651 6.729 -7.787 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.311 8.810 -8.481 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.091 10.175 -7.360 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.329 8.941 -7.027 1.00 0.00 H new ATOM 833 N ASP A 58 1.182 9.861 -4.901 1.00 0.00 N ATOM 834 CA ASP A 58 -0.200 10.047 -4.483 1.00 0.00 C ATOM 835 C ASP A 58 -1.107 8.981 -5.092 1.00 0.00 C ATOM 836 O ASP A 58 -1.158 8.817 -6.310 1.00 0.00 O ATOM 837 CB ASP A 58 -0.685 11.439 -4.888 1.00 0.00 C ATOM 838 CG ASP A 58 -0.318 11.793 -6.315 1.00 0.00 C ATOM 839 OD1 ASP A 58 0.015 10.870 -7.089 1.00 0.00 O ATOM 840 OD2 ASP A 58 -0.362 12.993 -6.660 1.00 0.00 O ATOM 0 H ASP A 58 1.591 10.669 -5.371 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.243 9.951 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.768 11.490 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.257 12.179 -4.212 1.00 0.00 H new ATOM 845 N ARG A 59 -1.823 8.261 -4.233 1.00 0.00 N ATOM 846 CA ARG A 59 -2.731 7.211 -4.683 1.00 0.00 C ATOM 847 C ARG A 59 -1.995 6.172 -5.526 1.00 0.00 C ATOM 848 O ARG A 59 -2.593 5.515 -6.379 1.00 0.00 O ATOM 849 CB ARG A 59 -3.883 7.815 -5.487 1.00 0.00 C ATOM 850 CG ARG A 59 -4.855 8.623 -4.643 1.00 0.00 C ATOM 851 CD ARG A 59 -6.274 8.522 -5.178 1.00 0.00 C ATOM 852 NE ARG A 59 -6.661 9.716 -5.926 1.00 0.00 N ATOM 853 CZ ARG A 59 -7.710 9.771 -6.743 1.00 0.00 C ATOM 854 NH1 ARG A 59 -8.478 8.702 -6.921 1.00 0.00 N ATOM 855 NH2 ARG A 59 -7.994 10.897 -7.383 1.00 0.00 N ATOM 0 H ARG A 59 -1.792 8.386 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.133 6.713 -3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.473 8.456 -6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.427 7.013 -5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.827 8.267 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.544 9.668 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.357 7.647 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.965 8.374 -4.348 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.094 10.557 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.265 7.834 -6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.281 8.750 -7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.408 11.721 -7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.798 10.939 -8.009 1.00 0.00 H new ATOM 869 N CYS A 60 -0.696 6.031 -5.284 1.00 0.00 N ATOM 870 CA CYS A 60 0.120 5.078 -6.018 1.00 0.00 C ATOM 871 C CYS A 60 -0.333 3.644 -5.754 1.00 0.00 C ATOM 872 O CYS A 60 -0.088 2.749 -6.563 1.00 0.00 O ATOM 873 CB CYS A 60 1.588 5.247 -5.624 1.00 0.00 C ATOM 874 SG CYS A 60 1.972 4.728 -3.920 1.00 0.00 S ATOM 0 H CYS A 60 -0.187 6.568 -4.582 1.00 0.00 H new ATOM 0 HA CYS A 60 0.004 5.275 -7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.206 4.672 -6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.866 6.294 -5.744 1.00 0.00 H new ATOM 879 N ASN A 61 -0.990 3.432 -4.618 1.00 0.00 N ATOM 880 CA ASN A 61 -1.473 2.106 -4.250 1.00 0.00 C ATOM 881 C ASN A 61 -2.923 1.913 -4.683 1.00 0.00 C ATOM 882 O ASN A 61 -3.748 1.410 -3.920 1.00 0.00 O ATOM 883 CB ASN A 61 -1.346 1.900 -2.739 1.00 0.00 C ATOM 884 CG ASN A 61 -2.078 2.966 -1.949 1.00 0.00 C ATOM 885 OD1 ASN A 61 -3.021 3.583 -2.445 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.649 3.187 -0.713 1.00 0.00 N ATOM 0 H ASN A 61 -1.200 4.161 -3.937 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.861 1.366 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.741 0.919 -2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.292 1.905 -2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.105 3.892 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.864 2.652 -0.342 1.00 0.00 H new ATOM 893 N ASN A 62 -3.229 2.316 -5.911 1.00 0.00 N ATOM 894 CA ASN A 62 -4.580 2.186 -6.445 1.00 0.00 C ATOM 895 C ASN A 62 -4.779 0.826 -7.104 1.00 0.00 C ATOM 896 O ASN A 62 -3.769 0.208 -7.502 1.00 0.00 O ATOM 897 CB ASN A 62 -4.863 3.301 -7.453 1.00 0.00 C ATOM 898 CG ASN A 62 -6.332 3.675 -7.503 1.00 0.00 C ATOM 899 OD1 ASN A 62 -7.118 3.263 -6.651 1.00 0.00 O ATOM 900 ND2 ASN A 62 -6.709 4.458 -8.507 1.00 0.00 N ATOM 901 OXT ASN A 62 -5.944 0.388 -7.215 1.00 0.00 O ATOM 0 H ASN A 62 -2.560 2.736 -6.556 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.280 2.271 -5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.275 4.181 -7.192 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.538 2.983 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.685 4.741 -8.594 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.023 4.776 -9.191 1.00 0.00 H new