USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 445 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 33 CYS SG : rot -56:sc= 0.246 USER MOD Set 1.2: A 36 CYS SG : rot -140:sc= -0.326 USER MOD Set 1.3: A 56 CYS SG : rot 169:sc= -0.757 USER MOD Set 2.1: A 6 CYS SG : rot -105:sc= 2.19 USER MOD Set 2.2: A 9 CYS SG : rot -160:sc= -0.548 USER MOD Set 2.3: A 27 HIS : no HE2:sc= -1.76 K(o=-0.064,f=-1.7!) USER MOD Set 2.4: A 30 CYS SG : rot -167:sc= 0.0555 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.81! C(o=-1.8!,f=-3.1!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.363 F(o=-1.9!,f=-0.36) USER MOD Single : A 12 ASN : amide:sc= -0.492 K(o=-0.49,f=-2.8!) USER MOD Single : A 17 TYR OH : rot -22:sc= 1.19 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.014 F(o=-0.85,f=-0.014) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.078 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 87:sc= 0.932 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -98:sc= 1.24 (180deg=-0.518) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 1.84 K(o=1.8,f=-5.4!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.00139 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -14.458 -11.047 -9.173 1.00 0.00 N ATOM 22 CA LEU A 3 -13.849 -10.632 -7.916 1.00 0.00 C ATOM 23 C LEU A 3 -12.404 -10.206 -8.128 1.00 0.00 C ATOM 24 O LEU A 3 -11.820 -10.458 -9.185 1.00 0.00 O ATOM 25 CB LEU A 3 -13.895 -11.767 -6.894 1.00 0.00 C ATOM 26 CG LEU A 3 -15.223 -12.514 -6.798 1.00 0.00 C ATOM 27 CD1 LEU A 3 -14.987 -13.949 -6.361 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.158 -11.811 -5.829 1.00 0.00 C ATOM 0 HA LEU A 3 -14.419 -9.783 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.112 -12.484 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.657 -11.358 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.691 -12.522 -7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.942 -14.471 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.348 -14.450 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.502 -13.957 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.100 -12.356 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.699 -11.776 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.347 -10.796 -6.178 1.00 0.00 H new ATOM 40 N LEU A 4 -11.807 -9.623 -7.101 1.00 0.00 N ATOM 41 CA LEU A 4 -10.408 -9.251 -7.163 1.00 0.00 C ATOM 42 C LEU A 4 -9.597 -10.123 -6.214 1.00 0.00 C ATOM 43 O LEU A 4 -10.143 -10.729 -5.296 1.00 0.00 O ATOM 44 CB LEU A 4 -10.220 -7.773 -6.806 1.00 0.00 C ATOM 45 CG LEU A 4 -11.215 -6.805 -7.451 1.00 0.00 C ATOM 46 CD1 LEU A 4 -11.865 -5.930 -6.389 1.00 0.00 C ATOM 47 CD2 LEU A 4 -10.518 -5.948 -8.499 1.00 0.00 C ATOM 0 H LEU A 4 -12.269 -9.399 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.056 -9.405 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.288 -7.668 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.212 -7.474 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.995 -7.384 -7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.570 -5.247 -6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.394 -6.559 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.097 -5.357 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.239 -5.265 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.720 -5.375 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.096 -6.590 -9.272 1.00 0.00 H new ATOM 59 N THR A 5 -8.298 -10.166 -6.428 1.00 0.00 N ATOM 60 CA THR A 5 -7.396 -10.939 -5.589 1.00 0.00 C ATOM 61 C THR A 5 -6.107 -10.157 -5.385 1.00 0.00 C ATOM 62 O THR A 5 -5.633 -9.495 -6.309 1.00 0.00 O ATOM 63 CB THR A 5 -7.080 -12.298 -6.235 1.00 0.00 C ATOM 64 OG1 THR A 5 -7.391 -12.258 -7.635 1.00 0.00 O ATOM 65 CG2 THR A 5 -7.877 -13.406 -5.571 1.00 0.00 C ATOM 0 H THR A 5 -7.835 -9.667 -7.188 1.00 0.00 H new ATOM 0 HA THR A 5 -7.878 -11.119 -4.628 1.00 0.00 H new ATOM 0 HB THR A 5 -6.017 -12.502 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.186 -13.126 -8.041 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.638 -14.359 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.623 -13.452 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.942 -13.204 -5.680 1.00 0.00 H new ATOM 73 N CYS A 6 -5.636 -10.100 -4.149 1.00 0.00 N ATOM 74 CA CYS A 6 -4.493 -9.275 -3.819 1.00 0.00 C ATOM 75 C CYS A 6 -3.191 -10.018 -4.086 1.00 0.00 C ATOM 76 O CYS A 6 -3.200 -11.220 -4.332 1.00 0.00 O ATOM 77 CB CYS A 6 -4.606 -8.818 -2.365 1.00 0.00 C ATOM 78 SG CYS A 6 -3.402 -9.532 -1.204 1.00 0.00 S ATOM 0 H CYS A 6 -6.029 -10.616 -3.362 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.483 -8.391 -4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.506 -7.733 -2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.608 -9.055 -2.008 1.00 0.00 H new ATOM 0 HG CYS A 6 -3.990 -10.424 -0.463 1.00 0.00 H new ATOM 83 N GLY A 7 -2.090 -9.289 -4.136 1.00 0.00 N ATOM 84 CA GLY A 7 -0.811 -9.899 -4.447 1.00 0.00 C ATOM 85 C GLY A 7 -0.047 -10.303 -3.201 1.00 0.00 C ATOM 86 O GLY A 7 1.049 -10.864 -3.289 1.00 0.00 O ATOM 0 H GLY A 7 -2.056 -8.284 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.972 -10.777 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.210 -9.200 -5.028 1.00 0.00 H new ATOM 90 N GLY A 8 -0.626 -10.020 -2.044 1.00 0.00 N ATOM 91 CA GLY A 8 0.007 -10.363 -0.788 1.00 0.00 C ATOM 92 C GLY A 8 -0.445 -11.714 -0.276 1.00 0.00 C ATOM 93 O GLY A 8 0.378 -12.591 -0.001 1.00 0.00 O ATOM 0 H GLY A 8 -1.530 -9.556 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.089 -10.368 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.222 -9.599 -0.046 1.00 0.00 H new ATOM 97 N CYS A 9 -1.754 -11.905 -0.207 1.00 0.00 N ATOM 98 CA CYS A 9 -2.313 -13.174 0.230 1.00 0.00 C ATOM 99 C CYS A 9 -2.951 -13.908 -0.942 1.00 0.00 C ATOM 100 O CYS A 9 -2.899 -15.138 -1.016 1.00 0.00 O ATOM 101 CB CYS A 9 -3.335 -12.950 1.349 1.00 0.00 C ATOM 102 SG CYS A 9 -4.898 -12.184 0.813 1.00 0.00 S ATOM 0 H CYS A 9 -2.448 -11.197 -0.448 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.505 -13.792 0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.558 -13.909 1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.882 -12.321 2.115 1.00 0.00 H new ATOM 0 HG CYS A 9 -5.500 -11.661 1.840 1.00 0.00 H new ATOM 107 N GLN A 10 -3.515 -13.132 -1.870 1.00 0.00 N ATOM 108 CA GLN A 10 -4.141 -13.661 -3.084 1.00 0.00 C ATOM 109 C GLN A 10 -5.432 -14.416 -2.778 1.00 0.00 C ATOM 110 O GLN A 10 -5.863 -15.254 -3.570 1.00 0.00 O ATOM 111 CB GLN A 10 -3.173 -14.575 -3.846 1.00 0.00 C ATOM 112 CG GLN A 10 -2.871 -14.111 -5.262 1.00 0.00 C ATOM 113 CD GLN A 10 -3.904 -14.581 -6.269 1.00 0.00 C ATOM 114 OE1 GLN A 10 -4.538 -13.773 -6.947 1.00 0.00 O ATOM 115 NE2 GLN A 10 -4.071 -15.889 -6.385 1.00 0.00 N ATOM 0 H GLN A 10 -3.551 -12.115 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.391 -12.804 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.238 -14.642 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.593 -15.580 -3.886 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.822 -13.022 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.889 -14.479 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.526 -16.526 -5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.745 -16.260 -7.055 1.00 0.00 H new ATOM 124 N GLN A 11 -6.044 -14.149 -1.628 1.00 0.00 N ATOM 125 CA GLN A 11 -7.255 -14.867 -1.254 1.00 0.00 C ATOM 126 C GLN A 11 -8.479 -14.360 -2.028 1.00 0.00 C ATOM 127 O GLN A 11 -9.149 -15.151 -2.688 1.00 0.00 O ATOM 128 CB GLN A 11 -7.496 -14.815 0.267 1.00 0.00 C ATOM 129 CG GLN A 11 -7.863 -13.442 0.819 1.00 0.00 C ATOM 130 CD GLN A 11 -9.290 -13.365 1.339 1.00 0.00 C ATOM 131 OE1 GLN A 11 -10.133 -14.301 0.930 1.00 0.00 O flip ATOM 132 NE2 GLN A 11 -9.630 -12.470 2.111 1.00 0.00 N flip ATOM 0 H GLN A 11 -5.728 -13.454 -0.951 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.105 -15.911 -1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.294 -15.514 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.596 -15.164 0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.175 -13.187 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.728 -12.695 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.953 -11.766 2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.589 -12.432 2.457 1.00 0.00 H new ATOM 141 N ASN A 12 -8.743 -13.046 -1.957 1.00 0.00 N ATOM 142 CA ASN A 12 -9.919 -12.426 -2.581 1.00 0.00 C ATOM 143 C ASN A 12 -10.198 -11.074 -1.932 1.00 0.00 C ATOM 144 O ASN A 12 -10.358 -10.992 -0.713 1.00 0.00 O ATOM 145 CB ASN A 12 -11.175 -13.296 -2.423 1.00 0.00 C ATOM 146 CG ASN A 12 -12.424 -12.623 -2.958 1.00 0.00 C ATOM 147 OD1 ASN A 12 -12.594 -12.486 -4.165 1.00 0.00 O ATOM 148 ND2 ASN A 12 -13.304 -12.197 -2.063 1.00 0.00 N ATOM 0 H ASN A 12 -8.145 -12.383 -1.464 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.697 -12.312 -3.642 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.025 -14.241 -2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.318 -13.533 -1.369 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.161 -11.736 -2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.125 -12.331 -1.068 1.00 0.00 H new ATOM 155 N ILE A 13 -10.330 -10.036 -2.742 1.00 0.00 N ATOM 156 CA ILE A 13 -10.707 -8.726 -2.240 1.00 0.00 C ATOM 157 C ILE A 13 -12.192 -8.483 -2.456 1.00 0.00 C ATOM 158 O ILE A 13 -12.628 -8.177 -3.569 1.00 0.00 O ATOM 159 CB ILE A 13 -9.912 -7.601 -2.914 1.00 0.00 C ATOM 160 CG1 ILE A 13 -8.469 -8.039 -3.136 1.00 0.00 C ATOM 161 CG2 ILE A 13 -9.966 -6.337 -2.070 1.00 0.00 C ATOM 162 CD1 ILE A 13 -7.840 -7.423 -4.358 1.00 0.00 C ATOM 0 H ILE A 13 -10.181 -10.076 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.478 -8.716 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.361 -7.384 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.878 -7.775 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.436 -9.125 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.397 -5.547 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.003 -6.020 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.537 -6.536 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.814 -7.777 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.409 -7.708 -5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.842 -6.337 -4.260 1.00 0.00 H new ATOM 174 N GLY A 14 -12.962 -8.644 -1.395 1.00 0.00 N ATOM 175 CA GLY A 14 -14.392 -8.447 -1.473 1.00 0.00 C ATOM 176 C GLY A 14 -14.834 -7.260 -0.651 1.00 0.00 C ATOM 177 O GLY A 14 -16.013 -7.107 -0.335 1.00 0.00 O ATOM 0 H GLY A 14 -12.619 -8.910 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.684 -8.299 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.903 -9.344 -1.123 1.00 0.00 H new ATOM 181 N ASP A 15 -13.873 -6.427 -0.293 1.00 0.00 N ATOM 182 CA ASP A 15 -14.146 -5.240 0.509 1.00 0.00 C ATOM 183 C ASP A 15 -14.719 -4.136 -0.368 1.00 0.00 C ATOM 184 O ASP A 15 -14.634 -4.202 -1.594 1.00 0.00 O ATOM 185 CB ASP A 15 -12.876 -4.747 1.213 1.00 0.00 C ATOM 186 CG ASP A 15 -12.116 -5.859 1.912 1.00 0.00 C ATOM 187 OD1 ASP A 15 -12.672 -6.473 2.844 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.961 -6.137 1.523 1.00 0.00 O ATOM 0 H ASP A 15 -12.892 -6.548 -0.544 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.877 -5.507 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.223 -4.272 0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.145 -3.984 1.943 1.00 0.00 H new ATOM 193 N ARG A 16 -15.284 -3.114 0.257 1.00 0.00 N ATOM 194 CA ARG A 16 -15.860 -2.002 -0.492 1.00 0.00 C ATOM 195 C ARG A 16 -14.788 -0.978 -0.845 1.00 0.00 C ATOM 196 O ARG A 16 -14.807 -0.399 -1.932 1.00 0.00 O ATOM 197 CB ARG A 16 -17.010 -1.333 0.272 1.00 0.00 C ATOM 198 CG ARG A 16 -16.889 -1.395 1.785 1.00 0.00 C ATOM 199 CD ARG A 16 -16.974 -0.009 2.408 1.00 0.00 C ATOM 200 NE ARG A 16 -18.306 0.277 2.943 1.00 0.00 N ATOM 201 CZ ARG A 16 -18.604 0.254 4.239 1.00 0.00 C ATOM 202 NH1 ARG A 16 -17.653 0.022 5.137 1.00 0.00 N ATOM 203 NH2 ARG A 16 -19.842 0.510 4.645 1.00 0.00 N ATOM 0 H ARG A 16 -15.357 -3.029 1.271 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.272 -2.411 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -17.070 -0.288 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.947 -1.805 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -17.681 -2.026 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -15.941 -1.860 2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.238 0.074 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -16.717 0.740 1.659 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.049 0.507 2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.693 -0.139 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.883 0.005 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -20.568 0.725 3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.067 0.491 5.640 1.00 0.00 H new ATOM 217 N TYR A 17 -13.782 -0.859 0.011 1.00 0.00 N ATOM 218 CA TYR A 17 -12.633 -0.023 -0.293 1.00 0.00 C ATOM 219 C TYR A 17 -11.376 -0.874 -0.241 1.00 0.00 C ATOM 220 O TYR A 17 -11.254 -1.753 0.613 1.00 0.00 O ATOM 221 CB TYR A 17 -12.518 1.148 0.688 1.00 0.00 C ATOM 222 CG TYR A 17 -12.184 2.455 0.012 1.00 0.00 C ATOM 223 CD1 TYR A 17 -13.160 3.152 -0.688 1.00 0.00 C ATOM 224 CD2 TYR A 17 -10.906 2.991 0.059 1.00 0.00 C ATOM 225 CE1 TYR A 17 -12.875 4.345 -1.316 1.00 0.00 C ATOM 226 CE2 TYR A 17 -10.613 4.188 -0.567 1.00 0.00 C ATOM 227 CZ TYR A 17 -11.602 4.859 -1.254 1.00 0.00 C ATOM 228 OH TYR A 17 -11.319 6.050 -1.885 1.00 0.00 O ATOM 0 H TYR A 17 -13.740 -1.328 0.916 1.00 0.00 H new ATOM 0 HA TYR A 17 -12.759 0.396 -1.291 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.458 1.255 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.750 0.921 1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.162 2.751 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.128 2.465 0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.648 4.873 -1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.614 4.596 -0.518 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.983 6.214 -2.587 1.00 0.00 H new ATOM 238 N PHE A 18 -10.477 -0.678 -1.189 1.00 0.00 N ATOM 239 CA PHE A 18 -9.275 -1.492 -1.252 1.00 0.00 C ATOM 240 C PHE A 18 -8.121 -0.717 -1.871 1.00 0.00 C ATOM 241 O PHE A 18 -8.206 0.494 -2.052 1.00 0.00 O ATOM 242 CB PHE A 18 -9.547 -2.797 -2.017 1.00 0.00 C ATOM 243 CG PHE A 18 -9.651 -2.659 -3.515 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.634 -1.871 -4.099 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.775 -3.347 -4.340 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.731 -1.770 -5.472 1.00 0.00 C ATOM 247 CE2 PHE A 18 -8.873 -3.252 -5.712 1.00 0.00 C ATOM 248 CZ PHE A 18 -9.851 -2.462 -6.279 1.00 0.00 C ATOM 0 H PHE A 18 -10.554 0.030 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.984 -1.753 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.750 -3.505 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.475 -3.230 -1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.329 -1.332 -3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.006 -3.966 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.496 -1.149 -5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.185 -3.796 -6.342 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.928 -2.385 -7.353 1.00 0.00 H new ATOM 258 N LEU A 19 -7.020 -1.403 -2.112 1.00 0.00 N ATOM 259 CA LEU A 19 -5.822 -0.767 -2.617 1.00 0.00 C ATOM 260 C LEU A 19 -5.333 -1.467 -3.871 1.00 0.00 C ATOM 261 O LEU A 19 -5.119 -2.667 -3.860 1.00 0.00 O ATOM 262 CB LEU A 19 -4.740 -0.820 -1.548 1.00 0.00 C ATOM 263 CG LEU A 19 -4.829 0.270 -0.486 1.00 0.00 C ATOM 264 CD1 LEU A 19 -4.043 -0.130 0.751 1.00 0.00 C ATOM 265 CD2 LEU A 19 -4.325 1.586 -1.050 1.00 0.00 C ATOM 0 H LEU A 19 -6.932 -2.408 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.050 0.269 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.785 -1.791 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.767 -0.754 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.871 0.398 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.117 0.659 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.451 -1.055 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.997 -0.281 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.392 2.359 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.287 1.474 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.934 1.871 -1.908 1.00 0.00 H new ATOM 277 N LYS A 20 -5.117 -0.712 -4.933 1.00 0.00 N ATOM 278 CA LYS A 20 -4.553 -1.270 -6.159 1.00 0.00 C ATOM 279 C LYS A 20 -4.015 -0.132 -7.030 1.00 0.00 C ATOM 280 O LYS A 20 -4.587 0.960 -7.021 1.00 0.00 O ATOM 281 CB LYS A 20 -5.603 -2.118 -6.900 1.00 0.00 C ATOM 282 CG LYS A 20 -5.763 -1.821 -8.384 1.00 0.00 C ATOM 283 CD LYS A 20 -7.156 -1.304 -8.701 1.00 0.00 C ATOM 284 CE LYS A 20 -7.318 -1.015 -10.183 1.00 0.00 C ATOM 285 NZ LYS A 20 -8.621 -1.503 -10.708 1.00 0.00 N ATOM 0 H LYS A 20 -5.321 0.286 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.724 -1.935 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.341 -3.170 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.568 -1.975 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.021 -1.083 -8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.570 -2.726 -8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.898 -2.039 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.347 -0.396 -8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.238 0.059 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.505 -1.487 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.690 -1.285 -11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.688 -2.532 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.398 -1.034 -10.200 1.00 0.00 H new ATOM 299 N ALA A 21 -2.908 -0.370 -7.745 1.00 0.00 N ATOM 300 CA ALA A 21 -2.306 0.672 -8.596 1.00 0.00 C ATOM 301 C ALA A 21 -1.075 0.160 -9.338 1.00 0.00 C ATOM 302 O ALA A 21 -0.919 0.404 -10.533 1.00 0.00 O ATOM 303 CB ALA A 21 -1.920 1.894 -7.771 1.00 0.00 C ATOM 0 H ALA A 21 -2.414 -1.262 -7.754 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.062 0.951 -9.330 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.478 2.648 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.808 2.305 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.197 1.605 -7.008 1.00 0.00 H new ATOM 309 N ILE A 22 -0.155 -0.431 -8.580 1.00 0.00 N ATOM 310 CA ILE A 22 1.137 -0.889 -9.098 1.00 0.00 C ATOM 311 C ILE A 22 0.999 -1.625 -10.426 1.00 0.00 C ATOM 312 O ILE A 22 1.531 -1.197 -11.452 1.00 0.00 O ATOM 313 CB ILE A 22 1.808 -1.822 -8.064 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.006 -1.064 -6.755 1.00 0.00 C ATOM 315 CG2 ILE A 22 3.130 -2.368 -8.583 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.134 -1.949 -5.540 1.00 0.00 C ATOM 0 H ILE A 22 -0.283 -0.608 -7.584 1.00 0.00 H new ATOM 0 HA ILE A 22 1.752 -0.005 -9.271 1.00 0.00 H new ATOM 0 HB ILE A 22 1.156 -2.678 -7.889 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.901 -0.448 -6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.165 -0.386 -6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.575 -3.020 -7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.956 -2.935 -9.498 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.808 -1.541 -8.793 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.272 -1.331 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.230 -2.547 -5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.993 -2.609 -5.660 1.00 0.00 H new ATOM 328 N ASP A 23 0.258 -2.714 -10.374 1.00 0.00 N ATOM 329 CA ASP A 23 -0.014 -3.578 -11.524 1.00 0.00 C ATOM 330 C ASP A 23 -0.649 -4.838 -10.985 1.00 0.00 C ATOM 331 O ASP A 23 -0.332 -5.952 -11.389 1.00 0.00 O ATOM 332 CB ASP A 23 1.258 -3.928 -12.309 1.00 0.00 C ATOM 333 CG ASP A 23 0.947 -4.483 -13.687 1.00 0.00 C ATOM 334 OD1 ASP A 23 0.108 -3.891 -14.397 1.00 0.00 O ATOM 335 OD2 ASP A 23 1.541 -5.512 -14.067 1.00 0.00 O ATOM 0 H ASP A 23 -0.186 -3.037 -9.514 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.670 -3.057 -12.221 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.878 -3.037 -12.409 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.840 -4.659 -11.748 1.00 0.00 H new ATOM 340 N GLN A 24 -1.409 -4.628 -9.927 1.00 0.00 N ATOM 341 CA GLN A 24 -1.995 -5.692 -9.148 1.00 0.00 C ATOM 342 C GLN A 24 -3.117 -5.114 -8.328 1.00 0.00 C ATOM 343 O GLN A 24 -3.057 -3.942 -7.942 1.00 0.00 O ATOM 344 CB GLN A 24 -0.961 -6.291 -8.188 1.00 0.00 C ATOM 345 CG GLN A 24 -0.301 -7.562 -8.680 1.00 0.00 C ATOM 346 CD GLN A 24 1.214 -7.460 -8.672 1.00 0.00 C ATOM 347 OE1 GLN A 24 1.752 -6.504 -9.414 1.00 0.00 O flip ATOM 348 NE2 GLN A 24 1.895 -8.224 -7.990 1.00 0.00 N flip ATOM 0 H GLN A 24 -1.638 -3.696 -9.582 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.352 -6.471 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.188 -5.547 -7.998 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.447 -6.496 -7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.611 -8.397 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.644 -7.780 -9.692 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.444 -8.948 -7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.911 -8.133 -7.983 1.00 0.00 H new ATOM 357 N TYR A 25 -3.986 -5.972 -7.857 1.00 0.00 N ATOM 358 CA TYR A 25 -4.934 -5.564 -6.846 1.00 0.00 C ATOM 359 C TYR A 25 -4.409 -6.018 -5.502 1.00 0.00 C ATOM 360 O TYR A 25 -3.680 -7.006 -5.422 1.00 0.00 O ATOM 361 CB TYR A 25 -6.326 -6.146 -7.091 1.00 0.00 C ATOM 362 CG TYR A 25 -6.742 -6.202 -8.540 1.00 0.00 C ATOM 363 CD1 TYR A 25 -6.713 -5.068 -9.350 1.00 0.00 C ATOM 364 CD2 TYR A 25 -7.177 -7.395 -9.093 1.00 0.00 C ATOM 365 CE1 TYR A 25 -7.109 -5.135 -10.674 1.00 0.00 C ATOM 366 CE2 TYR A 25 -7.576 -7.468 -10.411 1.00 0.00 C ATOM 367 CZ TYR A 25 -7.540 -6.338 -11.198 1.00 0.00 C ATOM 368 OH TYR A 25 -7.944 -6.411 -12.510 1.00 0.00 O ATOM 0 H TYR A 25 -4.059 -6.946 -8.151 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.038 -4.479 -6.878 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.361 -7.154 -6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.055 -5.551 -6.541 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.378 -4.127 -8.940 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.204 -8.284 -8.481 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.081 -4.251 -11.294 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.915 -8.406 -10.824 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.215 -7.329 -12.718 1.00 0.00 H new ATOM 378 N TRP A 26 -4.649 -5.230 -4.482 1.00 0.00 N ATOM 379 CA TRP A 26 -4.091 -5.513 -3.178 1.00 0.00 C ATOM 380 C TRP A 26 -5.162 -5.501 -2.109 1.00 0.00 C ATOM 381 O TRP A 26 -6.358 -5.437 -2.394 1.00 0.00 O ATOM 382 CB TRP A 26 -3.013 -4.494 -2.821 1.00 0.00 C ATOM 383 CG TRP A 26 -1.886 -4.440 -3.796 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.738 -3.563 -4.827 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.747 -5.299 -3.831 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.578 -3.821 -5.503 1.00 0.00 N ATOM 387 CE2 TRP A 26 0.049 -4.887 -4.914 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.324 -6.377 -3.049 1.00 0.00 C ATOM 389 CZ2 TRP A 26 1.243 -5.516 -5.241 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.863 -7.001 -3.371 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.636 -6.571 -4.459 1.00 0.00 C ATOM 0 H TRP A 26 -5.225 -4.389 -4.527 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.649 -6.508 -3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.469 -3.506 -2.753 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.616 -4.731 -1.834 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.436 -2.777 -5.075 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.236 -3.304 -6.313 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.914 -6.715 -2.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.839 -5.187 -6.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.203 -7.835 -2.775 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.560 -7.082 -4.686 1.00 0.00 H new ATOM 402 N HIS A 27 -4.706 -5.477 -0.878 1.00 0.00 N ATOM 403 CA HIS A 27 -5.584 -5.431 0.269 1.00 0.00 C ATOM 404 C HIS A 27 -5.201 -4.263 1.154 1.00 0.00 C ATOM 405 O HIS A 27 -4.068 -3.785 1.099 1.00 0.00 O ATOM 406 CB HIS A 27 -5.493 -6.736 1.060 1.00 0.00 C ATOM 407 CG HIS A 27 -6.583 -7.714 0.756 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.325 -9.051 0.595 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.915 -7.508 0.610 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.485 -9.629 0.360 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.485 -8.733 0.358 1.00 0.00 N ATOM 0 H HIS A 27 -3.714 -5.489 -0.643 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.610 -5.303 -0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.531 -7.206 0.855 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.514 -6.505 2.125 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.414 -9.508 0.647 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.430 -6.561 0.679 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.615 -10.688 0.191 1.00 0.00 H new ATOM 419 N GLU A 28 -6.147 -3.808 1.953 1.00 0.00 N ATOM 420 CA GLU A 28 -5.939 -2.682 2.839 1.00 0.00 C ATOM 421 C GLU A 28 -4.828 -2.956 3.853 1.00 0.00 C ATOM 422 O GLU A 28 -4.140 -2.033 4.296 1.00 0.00 O ATOM 423 CB GLU A 28 -7.241 -2.385 3.571 1.00 0.00 C ATOM 424 CG GLU A 28 -8.092 -1.326 2.898 1.00 0.00 C ATOM 425 CD GLU A 28 -8.600 -0.289 3.874 1.00 0.00 C ATOM 426 OE1 GLU A 28 -7.806 0.169 4.725 1.00 0.00 O ATOM 427 OE2 GLU A 28 -9.785 0.090 3.789 1.00 0.00 O ATOM 0 H GLU A 28 -7.083 -4.210 2.005 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.633 -1.824 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.819 -3.305 3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.011 -2.062 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.507 -0.834 2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.939 -1.803 2.406 1.00 0.00 H new ATOM 434 N ASP A 29 -4.770 -4.189 4.337 1.00 0.00 N ATOM 435 CA ASP A 29 -3.867 -4.530 5.432 1.00 0.00 C ATOM 436 C ASP A 29 -2.793 -5.536 5.000 1.00 0.00 C ATOM 437 O ASP A 29 -1.882 -5.863 5.758 1.00 0.00 O ATOM 438 CB ASP A 29 -4.703 -5.059 6.616 1.00 0.00 C ATOM 439 CG ASP A 29 -3.971 -6.034 7.513 1.00 0.00 C ATOM 440 OD1 ASP A 29 -3.222 -5.581 8.408 1.00 0.00 O ATOM 441 OD2 ASP A 29 -4.152 -7.260 7.341 1.00 0.00 O ATOM 0 H ASP A 29 -5.333 -4.967 3.993 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.328 -3.634 5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.037 -4.212 7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.597 -5.545 6.225 1.00 0.00 H new ATOM 446 N CYS A 30 -2.863 -5.981 3.761 1.00 0.00 N ATOM 447 CA CYS A 30 -1.918 -6.972 3.264 1.00 0.00 C ATOM 448 C CYS A 30 -0.575 -6.358 2.880 1.00 0.00 C ATOM 449 O CYS A 30 0.475 -6.952 3.122 1.00 0.00 O ATOM 450 CB CYS A 30 -2.515 -7.708 2.076 1.00 0.00 C ATOM 451 SG CYS A 30 -3.407 -9.228 2.541 1.00 0.00 S ATOM 0 H CYS A 30 -3.559 -5.677 3.080 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.729 -7.674 4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.198 -7.041 1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.718 -7.962 1.378 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.654 -9.930 1.475 1.00 0.00 H new ATOM 456 N LEU A 31 -0.621 -5.231 2.189 1.00 0.00 N ATOM 457 CA LEU A 31 0.589 -4.597 1.668 1.00 0.00 C ATOM 458 C LEU A 31 1.616 -4.330 2.765 1.00 0.00 C ATOM 459 O LEU A 31 1.415 -3.485 3.640 1.00 0.00 O ATOM 460 CB LEU A 31 0.249 -3.288 0.963 1.00 0.00 C ATOM 461 CG LEU A 31 -0.243 -3.436 -0.473 1.00 0.00 C ATOM 462 CD1 LEU A 31 -1.435 -2.529 -0.704 1.00 0.00 C ATOM 463 CD2 LEU A 31 0.873 -3.120 -1.461 1.00 0.00 C ATOM 0 H LEU A 31 -1.484 -4.732 1.973 1.00 0.00 H new ATOM 0 HA LEU A 31 1.028 -5.295 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.516 -2.770 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.134 -2.652 0.964 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.550 -4.469 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.782 -2.639 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.238 -2.801 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.144 -1.493 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.500 -3.232 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.214 -2.096 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.705 -3.806 -1.302 1.00 0.00 H new ATOM 475 N SER A 32 2.741 -5.023 2.671 1.00 0.00 N ATOM 476 CA SER A 32 3.847 -4.834 3.596 1.00 0.00 C ATOM 477 C SER A 32 5.175 -5.027 2.859 1.00 0.00 C ATOM 478 O SER A 32 5.221 -4.904 1.635 1.00 0.00 O ATOM 479 CB SER A 32 3.730 -5.813 4.770 1.00 0.00 C ATOM 480 OG SER A 32 2.822 -6.863 4.480 1.00 0.00 O ATOM 0 H SER A 32 2.912 -5.729 1.955 1.00 0.00 H new ATOM 0 HA SER A 32 3.812 -3.820 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.711 -6.231 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.398 -5.278 5.660 1.00 0.00 H new ATOM 0 HG SER A 32 2.770 -7.471 5.246 1.00 0.00 H new ATOM 486 N CYS A 33 6.234 -5.342 3.605 1.00 0.00 N ATOM 487 CA CYS A 33 7.545 -5.626 3.029 1.00 0.00 C ATOM 488 C CYS A 33 7.423 -6.670 1.911 1.00 0.00 C ATOM 489 O CYS A 33 6.807 -7.718 2.103 1.00 0.00 O ATOM 490 CB CYS A 33 8.462 -6.162 4.136 1.00 0.00 C ATOM 491 SG CYS A 33 9.812 -5.055 4.656 1.00 0.00 S ATOM 0 H CYS A 33 6.206 -5.407 4.623 1.00 0.00 H new ATOM 0 HA CYS A 33 7.961 -4.712 2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.850 -6.392 5.008 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.899 -7.101 3.796 1.00 0.00 H new ATOM 0 HG CYS A 33 10.536 -4.740 3.624 1.00 0.00 H new ATOM 496 N ASP A 34 7.997 -6.378 0.749 1.00 0.00 N ATOM 497 CA ASP A 34 7.928 -7.301 -0.384 1.00 0.00 C ATOM 498 C ASP A 34 8.830 -8.501 -0.156 1.00 0.00 C ATOM 499 O ASP A 34 8.391 -9.648 -0.207 1.00 0.00 O ATOM 500 CB ASP A 34 8.340 -6.604 -1.685 1.00 0.00 C ATOM 501 CG ASP A 34 8.081 -7.461 -2.915 1.00 0.00 C ATOM 502 OD1 ASP A 34 8.980 -8.239 -3.302 1.00 0.00 O ATOM 503 OD2 ASP A 34 6.982 -7.352 -3.508 1.00 0.00 O ATOM 0 H ASP A 34 8.512 -5.517 0.565 1.00 0.00 H new ATOM 0 HA ASP A 34 6.894 -7.637 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.794 -5.666 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.400 -6.353 -1.638 1.00 0.00 H new ATOM 508 N LEU A 35 10.104 -8.216 0.033 1.00 0.00 N ATOM 509 CA LEU A 35 11.114 -9.253 0.180 1.00 0.00 C ATOM 510 C LEU A 35 11.020 -9.940 1.544 1.00 0.00 C ATOM 511 O LEU A 35 11.418 -11.097 1.699 1.00 0.00 O ATOM 512 CB LEU A 35 12.502 -8.624 -0.006 1.00 0.00 C ATOM 513 CG LEU A 35 13.684 -9.492 0.421 1.00 0.00 C ATOM 514 CD1 LEU A 35 14.028 -10.498 -0.667 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.890 -8.623 0.745 1.00 0.00 C ATOM 0 H LEU A 35 10.469 -7.265 0.089 1.00 0.00 H new ATOM 0 HA LEU A 35 10.946 -10.017 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.626 -8.365 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.537 -7.692 0.558 1.00 0.00 H new ATOM 0 HG LEU A 35 13.403 -10.041 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 35 14.872 -11.108 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.167 -11.140 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.291 -9.968 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.724 -9.256 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.172 -8.049 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.639 -7.941 1.557 1.00 0.00 H new ATOM 527 N CYS A 36 10.705 -9.156 2.558 1.00 0.00 N ATOM 528 CA CYS A 36 10.831 -9.608 3.934 1.00 0.00 C ATOM 529 C CYS A 36 9.485 -9.919 4.597 1.00 0.00 C ATOM 530 O CYS A 36 9.419 -10.743 5.510 1.00 0.00 O ATOM 531 CB CYS A 36 11.583 -8.530 4.690 1.00 0.00 C ATOM 532 SG CYS A 36 12.616 -7.511 3.585 1.00 0.00 S ATOM 0 H CYS A 36 10.359 -8.202 2.456 1.00 0.00 H new ATOM 0 HA CYS A 36 11.373 -10.554 3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.871 -7.890 5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.213 -8.993 5.450 1.00 0.00 H new ATOM 0 HG CYS A 36 13.751 -7.255 4.166 1.00 0.00 H new ATOM 537 N GLY A 37 8.420 -9.304 4.106 1.00 0.00 N ATOM 538 CA GLY A 37 7.091 -9.587 4.622 1.00 0.00 C ATOM 539 C GLY A 37 6.871 -9.105 6.050 1.00 0.00 C ATOM 540 O GLY A 37 6.327 -9.835 6.877 1.00 0.00 O ATOM 0 H GLY A 37 8.449 -8.612 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.352 -9.119 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.916 -10.662 4.580 1.00 0.00 H new ATOM 710 N TYR A 48 5.792 5.000 -1.156 1.00 0.00 N ATOM 711 CA TYR A 48 6.957 4.944 -2.036 1.00 0.00 C ATOM 712 C TYR A 48 6.943 3.612 -2.780 1.00 0.00 C ATOM 713 O TYR A 48 6.497 2.639 -2.222 1.00 0.00 O ATOM 714 CB TYR A 48 8.240 5.057 -1.198 1.00 0.00 C ATOM 715 CG TYR A 48 9.375 5.806 -1.866 1.00 0.00 C ATOM 716 CD1 TYR A 48 9.184 7.083 -2.374 1.00 0.00 C ATOM 717 CD2 TYR A 48 10.646 5.240 -1.970 1.00 0.00 C ATOM 718 CE1 TYR A 48 10.219 7.776 -2.968 1.00 0.00 C ATOM 719 CE2 TYR A 48 11.685 5.929 -2.560 1.00 0.00 C ATOM 720 CZ TYR A 48 11.466 7.197 -3.058 1.00 0.00 C ATOM 721 OH TYR A 48 12.499 7.890 -3.652 1.00 0.00 O ATOM 0 HA TYR A 48 6.926 5.767 -2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.000 5.554 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 48 8.584 4.053 -0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.209 7.542 -2.303 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.819 4.247 -1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.052 8.768 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.664 5.479 -2.632 1.00 0.00 H new ATOM 0 HH TYR A 48 13.312 7.343 -3.635 1.00 0.00 H new ATOM 731 N TYR A 49 7.425 3.560 -4.016 1.00 0.00 N ATOM 732 CA TYR A 49 7.617 2.278 -4.722 1.00 0.00 C ATOM 733 C TYR A 49 8.512 2.530 -5.934 1.00 0.00 C ATOM 734 O TYR A 49 8.637 3.676 -6.375 1.00 0.00 O ATOM 735 CB TYR A 49 6.277 1.605 -5.091 1.00 0.00 C ATOM 736 CG TYR A 49 5.841 1.731 -6.546 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.604 2.966 -7.132 1.00 0.00 C ATOM 738 CD2 TYR A 49 5.662 0.594 -7.332 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.205 3.071 -8.451 1.00 0.00 C ATOM 740 CE2 TYR A 49 5.263 0.691 -8.652 1.00 0.00 C ATOM 741 CZ TYR A 49 5.038 1.933 -9.206 1.00 0.00 C ATOM 742 OH TYR A 49 4.644 2.035 -10.523 1.00 0.00 O ATOM 0 H TYR A 49 7.692 4.382 -4.557 1.00 0.00 H new ATOM 0 HA TYR A 49 8.109 1.565 -4.061 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.346 0.546 -4.844 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.495 2.029 -4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.734 3.864 -6.546 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.838 -0.381 -6.902 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.025 4.042 -8.887 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.128 -0.201 -9.246 1.00 0.00 H new ATOM 0 HH TYR A 49 5.434 2.145 -11.093 1.00 0.00 H new ATOM 752 N LYS A 50 9.214 1.511 -6.407 1.00 0.00 N ATOM 753 CA LYS A 50 10.161 1.692 -7.498 1.00 0.00 C ATOM 754 C LYS A 50 9.408 1.854 -8.814 1.00 0.00 C ATOM 755 O LYS A 50 8.205 1.618 -8.852 1.00 0.00 O ATOM 756 CB LYS A 50 11.117 0.498 -7.566 1.00 0.00 C ATOM 757 CG LYS A 50 12.503 0.787 -7.017 1.00 0.00 C ATOM 758 CD LYS A 50 13.586 0.464 -8.033 1.00 0.00 C ATOM 759 CE LYS A 50 14.022 -0.989 -7.941 1.00 0.00 C ATOM 760 NZ LYS A 50 15.123 -1.301 -8.889 1.00 0.00 N ATOM 0 H LYS A 50 9.147 0.556 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 50 10.748 2.593 -7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.683 -0.334 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.208 0.176 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.571 1.837 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.666 0.201 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.217 0.671 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.446 1.114 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.347 -1.206 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.170 -1.637 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.390 -2.302 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.805 -1.119 -9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.945 -0.701 -8.675 1.00 0.00 H new ATOM 774 N LEU A 51 10.103 2.373 -9.836 1.00 0.00 N ATOM 775 CA LEU A 51 9.512 2.717 -11.148 1.00 0.00 C ATOM 776 C LEU A 51 8.294 1.855 -11.506 1.00 0.00 C ATOM 777 O LEU A 51 7.191 2.369 -11.686 1.00 0.00 O ATOM 778 CB LEU A 51 10.583 2.626 -12.249 1.00 0.00 C ATOM 779 CG LEU A 51 11.046 1.215 -12.631 1.00 0.00 C ATOM 780 CD1 LEU A 51 11.666 1.218 -14.016 1.00 0.00 C ATOM 781 CD2 LEU A 51 12.029 0.673 -11.606 1.00 0.00 C ATOM 0 H LEU A 51 11.102 2.570 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 51 9.149 3.742 -11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.196 3.113 -13.144 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.454 3.197 -11.927 1.00 0.00 H new ATOM 0 HG LEU A 51 10.174 0.561 -12.643 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.989 0.209 -14.272 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.929 1.559 -14.744 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.525 1.889 -14.029 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.344 -0.329 -11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.900 1.327 -11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.549 0.632 -10.628 1.00 0.00 H new ATOM 793 N GLY A 52 8.470 0.547 -11.452 1.00 0.00 N ATOM 794 CA GLY A 52 7.360 -0.362 -11.628 1.00 0.00 C ATOM 795 C GLY A 52 7.521 -1.565 -10.736 1.00 0.00 C ATOM 796 O GLY A 52 7.262 -2.694 -11.143 1.00 0.00 O ATOM 0 H GLY A 52 9.369 0.095 -11.288 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.424 0.147 -11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.302 -0.678 -12.669 1.00 0.00 H new ATOM 800 N ARG A 53 8.085 -1.327 -9.559 1.00 0.00 N ATOM 801 CA ARG A 53 8.437 -2.397 -8.649 1.00 0.00 C ATOM 802 C ARG A 53 8.070 -2.031 -7.224 1.00 0.00 C ATOM 803 O ARG A 53 8.706 -1.184 -6.608 1.00 0.00 O ATOM 804 CB ARG A 53 9.936 -2.679 -8.735 1.00 0.00 C ATOM 805 CG ARG A 53 10.402 -3.007 -10.138 1.00 0.00 C ATOM 806 CD ARG A 53 11.400 -4.140 -10.138 1.00 0.00 C ATOM 807 NE ARG A 53 10.745 -5.404 -10.387 1.00 0.00 N ATOM 808 CZ ARG A 53 11.050 -6.537 -9.762 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.030 -6.557 -8.863 1.00 0.00 N ATOM 810 NH2 ARG A 53 10.386 -7.649 -10.043 1.00 0.00 N ATOM 0 H ARG A 53 8.308 -0.393 -9.215 1.00 0.00 H new ATOM 0 HA ARG A 53 7.881 -3.290 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.484 -1.810 -8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.181 -3.510 -8.074 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.544 -3.276 -10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.853 -2.123 -10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.158 -3.962 -10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.916 -4.176 -9.178 1.00 0.00 H new ATOM 0 HE ARG A 53 10.002 -5.428 -11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.547 -5.703 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.264 -7.426 -8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.641 -7.636 -10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.620 -8.518 -9.563 1.00 0.00 H new ATOM 824 N LYS A 54 7.104 -2.734 -6.678 1.00 0.00 N ATOM 825 CA LYS A 54 6.745 -2.560 -5.283 1.00 0.00 C ATOM 826 C LYS A 54 7.674 -3.399 -4.428 1.00 0.00 C ATOM 827 O LYS A 54 7.514 -4.615 -4.328 1.00 0.00 O ATOM 828 CB LYS A 54 5.295 -2.980 -5.043 1.00 0.00 C ATOM 829 CG LYS A 54 4.804 -4.074 -5.982 1.00 0.00 C ATOM 830 CD LYS A 54 4.757 -5.429 -5.297 1.00 0.00 C ATOM 831 CE LYS A 54 4.808 -6.564 -6.306 1.00 0.00 C ATOM 832 NZ LYS A 54 5.748 -7.640 -5.893 1.00 0.00 N ATOM 0 H LYS A 54 6.551 -3.432 -7.176 1.00 0.00 H new ATOM 0 HA LYS A 54 6.843 -1.508 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.193 -3.326 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.652 -2.107 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.810 -3.818 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.460 -4.129 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.595 -5.518 -4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.845 -5.507 -4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.810 -6.984 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.111 -6.172 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.658 -7.511 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.896 -7.596 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.348 -8.566 -6.146 1.00 0.00 H new ATOM 846 N LEU A 55 8.671 -2.765 -3.866 1.00 0.00 N ATOM 847 CA LEU A 55 9.659 -3.471 -3.060 1.00 0.00 C ATOM 848 C LEU A 55 10.176 -2.525 -2.013 1.00 0.00 C ATOM 849 O LEU A 55 10.154 -1.334 -2.237 1.00 0.00 O ATOM 850 CB LEU A 55 10.808 -3.991 -3.935 1.00 0.00 C ATOM 851 CG LEU A 55 12.144 -3.261 -3.769 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.276 -4.253 -3.559 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.419 -2.379 -4.974 1.00 0.00 C ATOM 0 H LEU A 55 8.828 -1.760 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 55 9.196 -4.336 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.961 -5.047 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.505 -3.925 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 55 12.082 -2.626 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.216 -3.713 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.083 -4.841 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.343 -4.917 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.372 -1.867 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.460 -2.994 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.622 -1.642 -5.075 1.00 0.00 H new ATOM 865 N CYS A 56 10.606 -3.030 -0.871 1.00 0.00 N ATOM 866 CA CYS A 56 11.022 -2.150 0.199 1.00 0.00 C ATOM 867 C CYS A 56 12.224 -1.339 -0.209 1.00 0.00 C ATOM 868 O CYS A 56 13.141 -1.856 -0.817 1.00 0.00 O ATOM 869 CB CYS A 56 11.366 -2.949 1.431 1.00 0.00 C ATOM 870 SG CYS A 56 11.319 -4.754 1.201 1.00 0.00 S ATOM 0 H CYS A 56 10.675 -4.027 -0.665 1.00 0.00 H new ATOM 0 HA CYS A 56 10.193 -1.477 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 56 12.364 -2.664 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 56 10.673 -2.679 2.228 1.00 0.00 H new ATOM 0 HG CYS A 56 11.858 -5.337 2.230 1.00 0.00 H new ATOM 875 N ARG A 57 12.195 -0.066 0.126 1.00 0.00 N ATOM 876 CA ARG A 57 13.258 0.850 -0.248 1.00 0.00 C ATOM 877 C ARG A 57 14.478 0.642 0.629 1.00 0.00 C ATOM 878 O ARG A 57 15.616 0.762 0.175 1.00 0.00 O ATOM 879 CB ARG A 57 12.774 2.291 -0.137 1.00 0.00 C ATOM 880 CG ARG A 57 13.466 3.231 -1.104 1.00 0.00 C ATOM 881 CD ARG A 57 14.690 3.857 -0.472 1.00 0.00 C ATOM 882 NE ARG A 57 14.740 5.299 -0.683 1.00 0.00 N ATOM 883 CZ ARG A 57 15.263 5.886 -1.754 1.00 0.00 C ATOM 884 NH1 ARG A 57 15.715 5.152 -2.764 1.00 0.00 N ATOM 885 NH2 ARG A 57 15.302 7.208 -1.823 1.00 0.00 N ATOM 0 H ARG A 57 11.440 0.363 0.662 1.00 0.00 H new ATOM 0 HA ARG A 57 13.537 0.648 -1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.699 2.321 -0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.936 2.644 0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.755 2.686 -2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.773 4.013 -1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.692 3.647 0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 57 15.587 3.399 -0.889 1.00 0.00 H new ATOM 0 HE ARG A 57 14.346 5.899 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 57 15.661 4.134 -2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 57 16.116 5.606 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.932 7.770 -1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.702 7.664 -2.643 1.00 0.00 H new ATOM 899 N ARG A 58 14.241 0.322 1.885 1.00 0.00 N ATOM 900 CA ARG A 58 15.330 0.111 2.817 1.00 0.00 C ATOM 901 C ARG A 58 15.988 -1.234 2.559 1.00 0.00 C ATOM 902 O ARG A 58 17.213 -1.322 2.456 1.00 0.00 O ATOM 903 CB ARG A 58 14.834 0.207 4.262 1.00 0.00 C ATOM 904 CG ARG A 58 14.317 1.587 4.657 1.00 0.00 C ATOM 905 CD ARG A 58 14.948 2.702 3.829 1.00 0.00 C ATOM 906 NE ARG A 58 14.784 4.013 4.457 1.00 0.00 N ATOM 907 CZ ARG A 58 15.730 4.635 5.158 1.00 0.00 C ATOM 908 NH1 ARG A 58 16.932 4.090 5.293 1.00 0.00 N ATOM 909 NH2 ARG A 58 15.469 5.805 5.723 1.00 0.00 N ATOM 0 H ARG A 58 13.309 0.203 2.282 1.00 0.00 H new ATOM 0 HA ARG A 58 16.073 0.894 2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.038 -0.523 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.648 -0.069 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.234 1.615 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.523 1.761 5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.010 2.496 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.496 2.716 2.837 1.00 0.00 H new ATOM 0 HE ARG A 58 13.885 4.482 4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 58 17.136 3.190 4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.653 4.571 5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.546 6.226 5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.191 6.284 6.261 1.00 0.00 H new ATOM 923 N ASP A 59 15.173 -2.255 2.311 1.00 0.00 N ATOM 924 CA ASP A 59 15.704 -3.564 1.967 1.00 0.00 C ATOM 925 C ASP A 59 16.063 -3.615 0.474 1.00 0.00 C ATOM 926 O ASP A 59 16.733 -4.543 0.019 1.00 0.00 O ATOM 927 CB ASP A 59 14.724 -4.687 2.349 1.00 0.00 C ATOM 928 CG ASP A 59 14.194 -4.574 3.777 1.00 0.00 C ATOM 929 OD1 ASP A 59 14.984 -4.809 4.729 1.00 0.00 O ATOM 930 OD2 ASP A 59 12.990 -4.250 3.963 1.00 0.00 O ATOM 0 H ASP A 59 14.155 -2.200 2.342 1.00 0.00 H new ATOM 0 HA ASP A 59 16.614 -3.727 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.883 -4.676 1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.222 -5.649 2.230 1.00 0.00 H new ATOM 935 N TYR A 60 15.758 -2.527 -0.243 1.00 0.00 N ATOM 936 CA TYR A 60 16.218 -2.348 -1.625 1.00 0.00 C ATOM 937 C TYR A 60 17.674 -1.915 -1.597 1.00 0.00 C ATOM 938 O TYR A 60 18.516 -2.467 -2.305 1.00 0.00 O ATOM 939 CB TYR A 60 15.355 -1.298 -2.367 1.00 0.00 C ATOM 940 CG TYR A 60 16.115 -0.338 -3.264 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.351 -0.647 -4.597 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.592 0.878 -2.778 1.00 0.00 C ATOM 943 CE1 TYR A 60 17.046 0.221 -5.419 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.291 1.748 -3.593 1.00 0.00 C ATOM 945 CZ TYR A 60 17.517 1.416 -4.911 1.00 0.00 C ATOM 946 OH TYR A 60 18.224 2.274 -5.726 1.00 0.00 O ATOM 0 H TYR A 60 15.193 -1.756 0.112 1.00 0.00 H new ATOM 0 HA TYR A 60 16.120 -3.290 -2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.616 -1.824 -2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.806 -0.717 -1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.986 -1.581 -4.998 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.412 1.145 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.220 -0.034 -6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.658 2.684 -3.199 1.00 0.00 H new ATOM 0 HH TYR A 60 18.483 3.070 -5.217 1.00 0.00 H new ATOM 1420 N LEU A 96 4.014 1.374 -2.890 1.00 0.00 N ATOM 1421 CA LEU A 96 2.923 2.341 -2.983 1.00 0.00 C ATOM 1422 C LEU A 96 1.801 1.899 -3.893 1.00 0.00 C ATOM 1423 O LEU A 96 2.005 1.208 -4.883 1.00 0.00 O ATOM 1424 CB LEU A 96 3.443 3.739 -3.360 1.00 0.00 C ATOM 1425 CG LEU A 96 3.443 4.123 -4.837 1.00 0.00 C ATOM 1426 CD1 LEU A 96 2.103 4.718 -5.252 1.00 0.00 C ATOM 1427 CD2 LEU A 96 4.556 5.123 -5.088 1.00 0.00 C ATOM 0 HA LEU A 96 2.488 2.399 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.845 4.475 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.465 3.827 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 96 3.607 3.225 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.134 4.982 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.312 3.987 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.903 5.612 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.563 5.403 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.392 6.011 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.514 4.675 -4.825 1.00 0.00 H new ATOM 1439 N ILE A 97 0.605 2.318 -3.513 1.00 0.00 N ATOM 1440 CA ILE A 97 -0.610 2.002 -4.221 1.00 0.00 C ATOM 1441 C ILE A 97 -1.533 3.203 -4.153 1.00 0.00 C ATOM 1442 O ILE A 97 -1.112 4.289 -3.756 1.00 0.00 O ATOM 1443 CB ILE A 97 -1.332 0.785 -3.601 1.00 0.00 C ATOM 1444 CG1 ILE A 97 -0.561 0.242 -2.397 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -1.513 -0.297 -4.643 1.00 0.00 C ATOM 1446 CD1 ILE A 97 -0.949 0.881 -1.081 1.00 0.00 C ATOM 0 H ILE A 97 0.456 2.898 -2.687 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.354 1.756 -5.252 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.312 1.110 -3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.723 -0.834 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.506 0.394 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.023 -1.151 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.109 0.090 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.538 -0.611 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.359 0.443 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.760 1.953 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.008 0.707 -0.890 1.00 0.00 H new ATOM 1458 N THR A 98 -2.799 2.989 -4.434 1.00 0.00 N ATOM 1459 CA THR A 98 -3.776 4.046 -4.326 1.00 0.00 C ATOM 1460 C THR A 98 -5.086 3.488 -3.781 1.00 0.00 C ATOM 1461 O THR A 98 -5.457 2.348 -4.081 1.00 0.00 O ATOM 1462 CB THR A 98 -3.975 4.746 -5.694 1.00 0.00 C ATOM 1463 OG1 THR A 98 -3.799 6.163 -5.549 1.00 0.00 O ATOM 1464 CG2 THR A 98 -5.340 4.456 -6.299 1.00 0.00 C ATOM 0 H THR A 98 -3.175 2.091 -4.739 1.00 0.00 H new ATOM 0 HA THR A 98 -3.414 4.799 -3.627 1.00 0.00 H new ATOM 0 HB THR A 98 -3.224 4.345 -6.375 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.924 6.599 -6.418 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.430 4.969 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.450 3.382 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.120 4.809 -5.624 1.00 0.00 H new ATOM 1472 N ARG A 99 -5.707 4.239 -2.882 1.00 0.00 N ATOM 1473 CA ARG A 99 -6.943 3.804 -2.247 1.00 0.00 C ATOM 1474 C ARG A 99 -8.071 3.801 -3.269 1.00 0.00 C ATOM 1475 O ARG A 99 -8.489 4.858 -3.749 1.00 0.00 O ATOM 1476 CB ARG A 99 -7.306 4.714 -1.069 1.00 0.00 C ATOM 1477 CG ARG A 99 -6.152 4.989 -0.115 1.00 0.00 C ATOM 1478 CD ARG A 99 -6.154 4.035 1.072 1.00 0.00 C ATOM 1479 NE ARG A 99 -7.495 3.825 1.624 1.00 0.00 N ATOM 1480 CZ ARG A 99 -7.796 2.874 2.504 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -6.841 2.101 3.011 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -9.052 2.726 2.911 1.00 0.00 N ATOM 0 H ARG A 99 -5.375 5.153 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 99 -6.797 2.794 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.675 5.663 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.124 4.258 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.208 4.898 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.216 6.016 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.738 3.076 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.502 4.429 1.851 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.243 4.446 1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.871 2.235 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.078 1.373 3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.781 3.340 2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.287 1.998 3.586 1.00 0.00 H new ATOM 1496 N LEU A 100 -8.509 2.618 -3.655 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.531 2.492 -4.672 1.00 0.00 C ATOM 1498 C LEU A 100 -10.860 2.108 -4.060 1.00 0.00 C ATOM 1499 O LEU A 100 -10.943 1.736 -2.890 1.00 0.00 O ATOM 1500 CB LEU A 100 -9.133 1.456 -5.716 1.00 0.00 C ATOM 1501 CG LEU A 100 -9.448 1.849 -7.158 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -8.169 2.189 -7.906 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -10.202 0.735 -7.863 1.00 0.00 C ATOM 0 H LEU A 100 -8.172 1.732 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.633 3.463 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.063 1.267 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.641 0.519 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.084 2.734 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.410 2.467 -8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.669 3.022 -7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.509 1.322 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.417 1.034 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.594 -0.169 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.137 0.540 -7.338 1.00 0.00 H new ATOM 1515 N GLU A 101 -11.881 2.155 -4.885 1.00 0.00 N ATOM 1516 CA GLU A 101 -13.230 1.829 -4.468 1.00 0.00 C ATOM 1517 C GLU A 101 -13.786 0.705 -5.329 1.00 0.00 C ATOM 1518 O GLU A 101 -13.567 0.676 -6.541 1.00 0.00 O ATOM 1519 CB GLU A 101 -14.131 3.068 -4.569 1.00 0.00 C ATOM 1520 CG GLU A 101 -13.394 4.324 -5.017 1.00 0.00 C ATOM 1521 CD GLU A 101 -13.997 5.597 -4.465 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -15.175 5.884 -4.766 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -13.288 6.335 -3.744 1.00 0.00 O ATOM 0 H GLU A 101 -11.802 2.421 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.206 1.498 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.940 2.862 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.590 3.253 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.352 4.257 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.397 4.370 -6.106 1.00 0.00 H new ATOM 1530 N ASN A 102 -14.470 -0.234 -4.698 1.00 0.00 N ATOM 1531 CA ASN A 102 -15.053 -1.364 -5.411 1.00 0.00 C ATOM 1532 C ASN A 102 -16.327 -0.939 -6.140 1.00 0.00 C ATOM 1533 O ASN A 102 -16.746 0.221 -6.058 1.00 0.00 O ATOM 1534 CB ASN A 102 -15.359 -2.509 -4.442 1.00 0.00 C ATOM 1535 CG ASN A 102 -15.178 -3.879 -5.076 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -15.249 -4.025 -6.296 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.946 -4.890 -4.254 1.00 0.00 N ATOM 0 H ASN A 102 -14.637 -0.239 -3.692 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.329 -1.713 -6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.708 -2.427 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -16.384 -2.412 -4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.819 -5.831 -4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.894 -4.728 -3.248 1.00 0.00 H new ATOM 1544 N THR A 103 -16.918 -1.876 -6.871 1.00 0.00 N ATOM 1545 CA THR A 103 -18.125 -1.617 -7.641 1.00 0.00 C ATOM 1546 C THR A 103 -19.253 -1.093 -6.758 1.00 0.00 C ATOM 1547 O THR A 103 -19.695 0.048 -6.908 1.00 0.00 O ATOM 1548 CB THR A 103 -18.607 -2.894 -8.350 1.00 0.00 C ATOM 1549 OG1 THR A 103 -17.513 -3.529 -9.029 1.00 0.00 O ATOM 1550 CG2 THR A 103 -19.723 -2.578 -9.335 1.00 0.00 C ATOM 0 H THR A 103 -16.574 -2.833 -6.946 1.00 0.00 H new ATOM 0 HA THR A 103 -17.870 -0.858 -8.380 1.00 0.00 H new ATOM 0 HB THR A 103 -18.999 -3.576 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.832 -4.341 -9.475 1.00 0.00 H new ATOM 0 HG21 THR A 103 -20.047 -3.496 -9.824 1.00 0.00 H new ATOM 0 HG22 THR A 103 -20.564 -2.134 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.358 -1.877 -10.085 1.00 0.00 H new