USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 772 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 112 SER OG : rot 180:sc= 0.203 USER MOD Set 1.2: A 116 LYS NZ :NH3+ -174:sc= 0.213 (180deg=0) USER MOD Set 2.1: A 97 CYS SG : rot 31:sc= 0.677 USER MOD Set 2.2: A 100 CYS SG : rot -53:sc= -2.24 USER MOD Set 2.3: A 102 GLN : amide:sc= -0.57 X(o=-6.4,f=-6.5) USER MOD Set 2.4: A 113 HIS :FLIP no HD1:sc= -4.02 F(o=-8.9!,f=-6.4) USER MOD Set 2.5: A 114 MET CE :methyl -124:sc= -0.0311 (180deg=-0.317) USER MOD Set 2.6: A 118 HIS : no HD1:sc= -0.203 K(o=-6.4,f=-7.8) USER MOD Set 3.1: A 69 CYS SG : rot -140:sc= -3.01 USER MOD Set 3.2: A 72 CYS SG : rot 130:sc= -1.53! USER MOD Set 3.3: A 85 HIS : no HD1:sc= -1.39 K(o=-19,f=-20) USER MOD Set 3.4: A 86 MET CE :methyl 160:sc= -5.16 (180deg=-2.6!) USER MOD Set 3.5: A 89 HIS : no HD1:sc= -8.16! C(o=-19!,f=-22!) USER MOD Set 4.1: A 38 CYS SG : rot -32:sc= -2.41 USER MOD Set 4.2: A 41 CYS SG : rot -66:sc= -2.26 USER MOD Set 4.3: A 54 HIS :FLIP no HD1:sc= -1.32 F(o=-7.1!,f=-6) USER MOD Set 5.1: A 43 LYS NZ :NH3+ 154:sc= 0.165 (180deg=0) USER MOD Set 5.2: A 44 CYS SG : rot 180:sc= -0.058 USER MOD Set 6.1: A 10 CYS SG : rot 164:sc= 0.02 USER MOD Set 6.2: A 12 THR OG1 : rot 92:sc= 0.159 USER MOD Set 6.3: A 13 CYS SG : rot -39:sc= -2.62 USER MOD Set 6.4: A 26 HIS : no HE2:sc= -2.44 K(o=-4.9,f=-6.8!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.241 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -34:sc= 0.515 USER MOD Single : A 73 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.25) USER MOD Single : A 75 THR OG1 : rot 41:sc= 0.0387 USER MOD Single : A 80 MET CE :methyl -143:sc= -1.9! (180deg=-4.46!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= -1.6 (180deg=-2.06) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -164:sc= -0.795 (180deg=-0.849) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.267 K(o=-0.27,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 12.000 4.935 3.612 1.00 0.00 N ATOM 60 CA GLY A 7 11.065 3.879 3.956 1.00 0.00 C ATOM 61 C GLY A 7 9.762 3.985 3.188 1.00 0.00 C ATOM 62 O GLY A 7 9.652 4.766 2.242 1.00 0.00 O ATOM 0 HA2 GLY A 7 11.524 2.911 3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.857 3.916 5.025 1.00 0.00 H new ATOM 66 N VAL A 8 8.772 3.197 3.594 1.00 0.00 N ATOM 67 CA VAL A 8 7.470 3.205 2.937 1.00 0.00 C ATOM 68 C VAL A 8 6.651 4.420 3.356 1.00 0.00 C ATOM 69 O VAL A 8 7.121 5.265 4.117 1.00 0.00 O ATOM 70 CB VAL A 8 6.673 1.926 3.256 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.378 0.702 2.691 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.466 1.788 4.757 1.00 0.00 C ATOM 0 H VAL A 8 8.846 2.545 4.375 1.00 0.00 H new ATOM 0 HA VAL A 8 7.656 3.249 1.864 1.00 0.00 H new ATOM 0 HB VAL A 8 5.694 2.001 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.800 -0.192 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.468 0.801 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.371 0.618 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.901 0.879 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.434 1.735 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.914 2.651 5.129 1.00 0.00 H new ATOM 82 N GLU A 9 5.422 4.500 2.855 1.00 0.00 N ATOM 83 CA GLU A 9 4.537 5.613 3.178 1.00 0.00 C ATOM 84 C GLU A 9 3.090 5.141 3.295 1.00 0.00 C ATOM 85 O GLU A 9 2.600 4.390 2.451 1.00 0.00 O ATOM 86 CB GLU A 9 4.645 6.705 2.113 1.00 0.00 C ATOM 87 CG GLU A 9 3.723 7.888 2.358 1.00 0.00 C ATOM 88 CD GLU A 9 4.272 9.183 1.790 1.00 0.00 C ATOM 89 OE1 GLU A 9 5.008 9.884 2.515 1.00 0.00 O ATOM 90 OE2 GLU A 9 3.964 9.494 0.620 1.00 0.00 O ATOM 0 H GLU A 9 5.017 3.808 2.225 1.00 0.00 H new ATOM 0 HA GLU A 9 4.846 6.023 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.675 7.060 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.418 6.274 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.750 7.684 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.564 8.004 3.430 1.00 0.00 H new ATOM 97 N CYS A 10 2.411 5.587 4.346 1.00 0.00 N ATOM 98 CA CYS A 10 1.022 5.211 4.575 1.00 0.00 C ATOM 99 C CYS A 10 0.078 6.097 3.767 1.00 0.00 C ATOM 100 O CYS A 10 -0.026 7.303 3.991 1.00 0.00 O ATOM 101 CB CYS A 10 0.683 5.312 6.064 1.00 0.00 C ATOM 102 SG CYS A 10 -1.062 4.966 6.455 1.00 0.00 S ATOM 0 H CYS A 10 2.801 6.210 5.053 1.00 0.00 H new ATOM 0 HA CYS A 10 0.893 4.179 4.248 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.313 4.615 6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.931 6.314 6.415 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.183 4.732 7.728 1.00 0.00 H new ATOM 107 N PRO A 11 -0.626 5.486 2.803 1.00 0.00 N ATOM 108 CA PRO A 11 -1.574 6.199 1.941 1.00 0.00 C ATOM 109 C PRO A 11 -2.817 6.652 2.698 1.00 0.00 C ATOM 110 O PRO A 11 -3.758 7.184 2.107 1.00 0.00 O ATOM 111 CB PRO A 11 -1.943 5.158 0.881 1.00 0.00 C ATOM 112 CG PRO A 11 -1.711 3.844 1.544 1.00 0.00 C ATOM 113 CD PRO A 11 -0.552 4.051 2.480 1.00 0.00 C ATOM 0 HA PRO A 11 -1.143 7.112 1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.981 5.265 0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.326 5.266 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.598 3.519 2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.486 3.071 0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.642 3.433 3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.396 3.794 2.008 1.00 0.00 H new ATOM 121 N THR A 12 -2.817 6.438 4.011 1.00 0.00 N ATOM 122 CA THR A 12 -3.945 6.824 4.848 1.00 0.00 C ATOM 123 C THR A 12 -3.674 8.144 5.561 1.00 0.00 C ATOM 124 O THR A 12 -4.474 9.077 5.487 1.00 0.00 O ATOM 125 CB THR A 12 -4.261 5.742 5.898 1.00 0.00 C ATOM 126 OG1 THR A 12 -4.179 4.443 5.302 1.00 0.00 O ATOM 127 CG2 THR A 12 -5.649 5.948 6.487 1.00 0.00 C ATOM 0 H THR A 12 -2.047 5.999 4.517 1.00 0.00 H new ATOM 0 HA THR A 12 -4.804 6.941 4.187 1.00 0.00 H new ATOM 0 HB THR A 12 -3.528 5.821 6.701 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.272 4.089 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.850 5.172 7.226 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.700 6.926 6.965 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.393 5.894 5.692 1.00 0.00 H new ATOM 135 N CYS A 13 -2.542 8.216 6.253 1.00 0.00 N ATOM 136 CA CYS A 13 -2.165 9.422 6.980 1.00 0.00 C ATOM 137 C CYS A 13 -0.804 9.934 6.516 1.00 0.00 C ATOM 138 O CYS A 13 -0.195 10.787 7.163 1.00 0.00 O ATOM 139 CB CYS A 13 -2.133 9.147 8.484 1.00 0.00 C ATOM 140 SG CYS A 13 -0.980 7.824 8.974 1.00 0.00 S ATOM 0 H CYS A 13 -1.869 7.453 6.326 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.912 10.189 6.774 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.859 10.065 9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.137 8.881 8.815 1.00 0.00 H new ATOM 0 HG CYS A 13 -1.027 6.862 8.101 1.00 0.00 H new ATOM 145 N HIS A 14 -0.332 9.407 5.390 1.00 0.00 N ATOM 146 CA HIS A 14 0.956 9.811 4.839 1.00 0.00 C ATOM 147 C HIS A 14 2.076 9.584 5.851 1.00 0.00 C ATOM 148 O HIS A 14 3.115 10.241 5.800 1.00 0.00 O ATOM 149 CB HIS A 14 0.919 11.282 4.423 1.00 0.00 C ATOM 150 CG HIS A 14 -0.028 11.562 3.297 1.00 0.00 C ATOM 151 ND1 HIS A 14 -0.019 10.856 2.113 1.00 0.00 N ATOM 152 CD2 HIS A 14 -1.018 12.477 3.180 1.00 0.00 C ATOM 153 CE1 HIS A 14 -0.961 11.326 1.316 1.00 0.00 C ATOM 154 NE2 HIS A 14 -1.583 12.310 1.940 1.00 0.00 N ATOM 0 H HIS A 14 -0.822 8.700 4.842 1.00 0.00 H new ATOM 0 HA HIS A 14 1.155 9.198 3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.636 11.888 5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.922 11.594 4.130 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.310 13.204 3.924 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.185 10.967 0.322 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.357 12.857 1.562 1.00 0.00 H new ATOM 162 N LYS A 15 1.855 8.650 6.770 1.00 0.00 N ATOM 163 CA LYS A 15 2.844 8.335 7.794 1.00 0.00 C ATOM 164 C LYS A 15 3.809 7.259 7.306 1.00 0.00 C ATOM 165 O LYS A 15 3.418 6.112 7.090 1.00 0.00 O ATOM 166 CB LYS A 15 2.151 7.870 9.076 1.00 0.00 C ATOM 167 CG LYS A 15 3.109 7.609 10.226 1.00 0.00 C ATOM 168 CD LYS A 15 2.421 7.765 11.571 1.00 0.00 C ATOM 169 CE LYS A 15 2.170 9.228 11.903 1.00 0.00 C ATOM 170 NZ LYS A 15 1.657 9.402 13.290 1.00 0.00 N ATOM 0 H LYS A 15 0.999 8.098 6.827 1.00 0.00 H new ATOM 0 HA LYS A 15 3.413 9.240 8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.427 8.625 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.592 6.958 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.517 6.602 10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.950 8.300 10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.474 7.226 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.036 7.315 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.096 9.791 11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.452 9.643 11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.499 10.413 13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.760 8.886 13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.353 9.029 13.967 1.00 0.00 H new ATOM 184 N LYS A 16 5.072 7.636 7.136 1.00 0.00 N ATOM 185 CA LYS A 16 6.094 6.704 6.676 1.00 0.00 C ATOM 186 C LYS A 16 6.633 5.873 7.836 1.00 0.00 C ATOM 187 O LYS A 16 6.460 6.230 9.002 1.00 0.00 O ATOM 188 CB LYS A 16 7.239 7.462 6.002 1.00 0.00 C ATOM 189 CG LYS A 16 6.819 8.208 4.747 1.00 0.00 C ATOM 190 CD LYS A 16 7.998 8.442 3.817 1.00 0.00 C ATOM 191 CE LYS A 16 7.794 9.682 2.960 1.00 0.00 C ATOM 192 NZ LYS A 16 9.079 10.193 2.409 1.00 0.00 N ATOM 0 H LYS A 16 5.412 8.582 7.310 1.00 0.00 H new ATOM 0 HA LYS A 16 5.637 6.031 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.661 8.172 6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.030 6.757 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.050 7.639 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.376 9.165 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.910 8.550 4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.134 7.572 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.114 9.449 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.319 10.461 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.897 11.038 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.719 10.439 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.520 9.459 1.819 1.00 0.00 H new ATOM 206 N PHE A 17 7.289 4.764 7.510 1.00 0.00 N ATOM 207 CA PHE A 17 7.854 3.883 8.525 1.00 0.00 C ATOM 208 C PHE A 17 9.178 3.289 8.053 1.00 0.00 C ATOM 209 O PHE A 17 9.599 3.506 6.916 1.00 0.00 O ATOM 210 CB PHE A 17 6.870 2.761 8.862 1.00 0.00 C ATOM 211 CG PHE A 17 5.583 3.252 9.460 1.00 0.00 C ATOM 212 CD1 PHE A 17 4.558 3.711 8.650 1.00 0.00 C ATOM 213 CD2 PHE A 17 5.399 3.254 10.834 1.00 0.00 C ATOM 214 CE1 PHE A 17 3.372 4.164 9.197 1.00 0.00 C ATOM 215 CE2 PHE A 17 4.215 3.705 11.387 1.00 0.00 C ATOM 216 CZ PHE A 17 3.201 4.161 10.568 1.00 0.00 C ATOM 0 H PHE A 17 7.442 4.454 6.550 1.00 0.00 H new ATOM 0 HA PHE A 17 8.040 4.475 9.421 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.649 2.198 7.955 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.344 2.070 9.558 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.687 3.715 7.578 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.189 2.899 11.479 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.581 4.520 8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.083 3.701 12.459 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.276 4.515 10.998 1.00 0.00 H new ATOM 226 N LEU A 18 9.831 2.540 8.935 1.00 0.00 N ATOM 227 CA LEU A 18 11.108 1.914 8.610 1.00 0.00 C ATOM 228 C LEU A 18 10.920 0.780 7.608 1.00 0.00 C ATOM 229 O LEU A 18 11.513 0.786 6.529 1.00 0.00 O ATOM 230 CB LEU A 18 11.775 1.383 9.880 1.00 0.00 C ATOM 231 CG LEU A 18 12.216 2.435 10.897 1.00 0.00 C ATOM 232 CD1 LEU A 18 12.666 1.773 12.190 1.00 0.00 C ATOM 233 CD2 LEU A 18 13.331 3.298 10.323 1.00 0.00 C ATOM 0 H LEU A 18 9.497 2.351 9.880 1.00 0.00 H new ATOM 0 HA LEU A 18 11.750 2.670 8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.082 0.700 10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.648 0.798 9.590 1.00 0.00 H new ATOM 0 HG LEU A 18 11.363 3.077 11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.976 2.538 12.902 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.841 1.199 12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.504 1.107 11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.632 4.041 11.061 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.185 2.669 10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.975 3.802 9.425 1.00 0.00 H new ATOM 245 N SER A 19 10.088 -0.192 7.971 1.00 0.00 N ATOM 246 CA SER A 19 9.823 -1.334 7.104 1.00 0.00 C ATOM 247 C SER A 19 8.322 -1.553 6.939 1.00 0.00 C ATOM 248 O SER A 19 7.517 -1.034 7.714 1.00 0.00 O ATOM 249 CB SER A 19 10.474 -2.596 7.674 1.00 0.00 C ATOM 250 OG SER A 19 10.082 -3.746 6.944 1.00 0.00 O ATOM 0 H SER A 19 9.586 -0.211 8.859 1.00 0.00 H new ATOM 0 HA SER A 19 10.252 -1.123 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.559 -2.495 7.644 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.193 -2.713 8.721 1.00 0.00 H new ATOM 0 HG SER A 19 10.513 -4.539 7.327 1.00 0.00 H new ATOM 256 N LYS A 20 7.951 -2.327 5.925 1.00 0.00 N ATOM 257 CA LYS A 20 6.548 -2.618 5.656 1.00 0.00 C ATOM 258 C LYS A 20 5.889 -3.278 6.863 1.00 0.00 C ATOM 259 O LYS A 20 4.696 -3.098 7.107 1.00 0.00 O ATOM 260 CB LYS A 20 6.419 -3.525 4.431 1.00 0.00 C ATOM 261 CG LYS A 20 6.477 -2.776 3.111 1.00 0.00 C ATOM 262 CD LYS A 20 7.909 -2.455 2.714 1.00 0.00 C ATOM 263 CE LYS A 20 8.660 -3.704 2.278 1.00 0.00 C ATOM 264 NZ LYS A 20 10.023 -3.383 1.773 1.00 0.00 N ATOM 0 H LYS A 20 8.604 -2.765 5.275 1.00 0.00 H new ATOM 0 HA LYS A 20 6.039 -1.675 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.217 -4.267 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.476 -4.069 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.008 -3.375 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.905 -1.852 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.908 -1.728 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.426 -1.993 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.737 -4.393 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.095 -4.214 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.502 -4.260 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.949 -2.745 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.571 -2.919 2.525 1.00 0.00 H new ATOM 278 N TYR A 21 6.673 -4.043 7.615 1.00 0.00 N ATOM 279 CA TYR A 21 6.165 -4.731 8.795 1.00 0.00 C ATOM 280 C TYR A 21 5.443 -3.759 9.724 1.00 0.00 C ATOM 281 O TYR A 21 4.418 -4.095 10.317 1.00 0.00 O ATOM 282 CB TYR A 21 7.310 -5.415 9.545 1.00 0.00 C ATOM 283 CG TYR A 21 6.897 -6.001 10.876 1.00 0.00 C ATOM 284 CD1 TYR A 21 6.000 -7.059 10.944 1.00 0.00 C ATOM 285 CD2 TYR A 21 7.405 -5.495 12.067 1.00 0.00 C ATOM 286 CE1 TYR A 21 5.620 -7.596 12.159 1.00 0.00 C ATOM 287 CE2 TYR A 21 7.032 -6.027 13.286 1.00 0.00 C ATOM 288 CZ TYR A 21 6.139 -7.077 13.327 1.00 0.00 C ATOM 289 OH TYR A 21 5.764 -7.611 14.539 1.00 0.00 O ATOM 0 H TYR A 21 7.663 -4.202 7.428 1.00 0.00 H new ATOM 0 HA TYR A 21 5.453 -5.487 8.465 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.720 -6.208 8.920 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.109 -4.692 9.708 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.593 -7.469 10.032 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.103 -4.672 12.039 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.920 -8.418 12.194 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.437 -5.623 14.202 1.00 0.00 H new ATOM 0 HH TYR A 21 6.221 -7.133 15.262 1.00 0.00 H new ATOM 299 N TYR A 22 5.987 -2.553 9.845 1.00 0.00 N ATOM 300 CA TYR A 22 5.397 -1.532 10.702 1.00 0.00 C ATOM 301 C TYR A 22 4.210 -0.863 10.016 1.00 0.00 C ATOM 302 O TYR A 22 3.270 -0.413 10.673 1.00 0.00 O ATOM 303 CB TYR A 22 6.445 -0.480 11.072 1.00 0.00 C ATOM 304 CG TYR A 22 7.583 -1.025 11.905 1.00 0.00 C ATOM 305 CD1 TYR A 22 7.347 -1.940 12.924 1.00 0.00 C ATOM 306 CD2 TYR A 22 8.893 -0.625 11.674 1.00 0.00 C ATOM 307 CE1 TYR A 22 8.384 -2.441 13.688 1.00 0.00 C ATOM 308 CE2 TYR A 22 9.936 -1.122 12.432 1.00 0.00 C ATOM 309 CZ TYR A 22 9.676 -2.029 13.438 1.00 0.00 C ATOM 310 OH TYR A 22 10.712 -2.525 14.196 1.00 0.00 O ATOM 0 H TYR A 22 6.835 -2.259 9.361 1.00 0.00 H new ATOM 0 HA TYR A 22 5.041 -2.018 11.611 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.850 -0.046 10.158 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.959 0.327 11.620 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.336 -2.265 13.122 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.100 0.087 10.888 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.184 -3.151 14.476 1.00 0.00 H new ATOM 0 HE2 TYR A 22 10.949 -0.802 12.238 1.00 0.00 H new ATOM 0 HH TYR A 22 11.557 -2.134 13.890 1.00 0.00 H new ATOM 320 N LEU A 23 4.258 -0.804 8.690 1.00 0.00 N ATOM 321 CA LEU A 23 3.186 -0.191 7.912 1.00 0.00 C ATOM 322 C LEU A 23 1.929 -1.054 7.944 1.00 0.00 C ATOM 323 O LEU A 23 0.829 -0.559 8.189 1.00 0.00 O ATOM 324 CB LEU A 23 3.637 0.020 6.465 1.00 0.00 C ATOM 325 CG LEU A 23 2.595 0.619 5.519 1.00 0.00 C ATOM 326 CD1 LEU A 23 2.317 2.070 5.881 1.00 0.00 C ATOM 327 CD2 LEU A 23 3.061 0.508 4.075 1.00 0.00 C ATOM 0 H LEU A 23 5.027 -1.173 8.131 1.00 0.00 H new ATOM 0 HA LEU A 23 2.952 0.776 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.512 0.670 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.956 -0.941 6.061 1.00 0.00 H new ATOM 0 HG LEU A 23 1.668 0.055 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.573 2.480 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.940 2.124 6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.238 2.647 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.308 0.939 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.001 1.047 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.209 -0.541 3.820 1.00 0.00 H new ATOM 339 N LYS A 24 2.099 -2.348 7.697 1.00 0.00 N ATOM 340 CA LYS A 24 0.980 -3.283 7.701 1.00 0.00 C ATOM 341 C LYS A 24 0.312 -3.325 9.071 1.00 0.00 C ATOM 342 O LYS A 24 -0.913 -3.397 9.174 1.00 0.00 O ATOM 343 CB LYS A 24 1.456 -4.683 7.310 1.00 0.00 C ATOM 344 CG LYS A 24 2.292 -5.363 8.381 1.00 0.00 C ATOM 345 CD LYS A 24 2.914 -6.651 7.869 1.00 0.00 C ATOM 346 CE LYS A 24 1.915 -7.798 7.887 1.00 0.00 C ATOM 347 NZ LYS A 24 1.959 -8.550 9.171 1.00 0.00 N ATOM 0 H LYS A 24 3.003 -2.774 7.491 1.00 0.00 H new ATOM 0 HA LYS A 24 0.249 -2.938 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.588 -5.304 7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.041 -4.616 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.078 -4.686 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.668 -5.579 9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.279 -6.501 6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.777 -6.909 8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.910 -7.407 7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.126 -8.477 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.264 -9.323 9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.911 -8.945 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.732 -7.908 9.957 1.00 0.00 H new ATOM 361 N VAL A 25 1.124 -3.280 10.122 1.00 0.00 N ATOM 362 CA VAL A 25 0.611 -3.311 11.487 1.00 0.00 C ATOM 363 C VAL A 25 -0.043 -1.985 11.858 1.00 0.00 C ATOM 364 O VAL A 25 -1.095 -1.957 12.497 1.00 0.00 O ATOM 365 CB VAL A 25 1.729 -3.621 12.500 1.00 0.00 C ATOM 366 CG1 VAL A 25 1.201 -3.529 13.923 1.00 0.00 C ATOM 367 CG2 VAL A 25 2.325 -4.995 12.231 1.00 0.00 C ATOM 0 H VAL A 25 2.140 -3.222 10.055 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.135 -4.105 11.527 1.00 0.00 H new ATOM 0 HB VAL A 25 2.518 -2.878 12.383 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.005 -3.751 14.625 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.826 -2.522 14.108 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.393 -4.248 14.058 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.113 -5.198 12.956 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.547 -5.753 12.320 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.742 -5.020 11.224 1.00 0.00 H new ATOM 377 N HIS A 26 0.587 -0.887 11.454 1.00 0.00 N ATOM 378 CA HIS A 26 0.066 0.444 11.743 1.00 0.00 C ATOM 379 C HIS A 26 -1.239 0.692 10.992 1.00 0.00 C ATOM 380 O HIS A 26 -2.186 1.254 11.542 1.00 0.00 O ATOM 381 CB HIS A 26 1.095 1.511 11.367 1.00 0.00 C ATOM 382 CG HIS A 26 0.482 2.807 10.931 1.00 0.00 C ATOM 383 ND1 HIS A 26 0.228 3.848 11.798 1.00 0.00 N ATOM 384 CD2 HIS A 26 0.074 3.227 9.711 1.00 0.00 C ATOM 385 CE1 HIS A 26 -0.311 4.853 11.130 1.00 0.00 C ATOM 386 NE2 HIS A 26 -0.415 4.501 9.861 1.00 0.00 N ATOM 0 H HIS A 26 1.459 -0.893 10.925 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.134 0.504 12.813 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.744 1.695 12.223 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.726 1.129 10.565 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.425 3.843 12.799 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.124 2.664 8.790 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.615 5.801 11.550 1.00 0.00 H new ATOM 394 N ASN A 27 -1.280 0.270 9.732 1.00 0.00 N ATOM 395 CA ASN A 27 -2.469 0.447 8.906 1.00 0.00 C ATOM 396 C ASN A 27 -3.693 -0.172 9.573 1.00 0.00 C ATOM 397 O ASN A 27 -4.754 0.449 9.644 1.00 0.00 O ATOM 398 CB ASN A 27 -2.254 -0.180 7.527 1.00 0.00 C ATOM 399 CG ASN A 27 -3.484 -0.076 6.646 1.00 0.00 C ATOM 400 OD1 ASN A 27 -3.754 0.973 6.060 1.00 0.00 O ATOM 401 ND2 ASN A 27 -4.237 -1.165 6.549 1.00 0.00 N ATOM 0 H ASN A 27 -0.505 -0.196 9.261 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.644 1.517 8.789 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.415 0.311 7.034 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.984 -1.229 7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.077 -1.154 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.975 -2.013 7.052 1.00 0.00 H new ATOM 543 N PHE A 36 -11.833 -12.834 11.538 1.00 0.00 N ATOM 544 CA PHE A 36 -11.671 -13.903 10.559 1.00 0.00 C ATOM 545 C PHE A 36 -11.151 -13.353 9.234 1.00 0.00 C ATOM 546 O PHE A 36 -11.139 -12.142 9.016 1.00 0.00 O ATOM 547 CB PHE A 36 -13.000 -14.626 10.337 1.00 0.00 C ATOM 548 CG PHE A 36 -13.617 -15.148 11.603 1.00 0.00 C ATOM 549 CD1 PHE A 36 -14.488 -14.363 12.340 1.00 0.00 C ATOM 550 CD2 PHE A 36 -13.325 -16.425 12.057 1.00 0.00 C ATOM 551 CE1 PHE A 36 -15.058 -14.840 13.506 1.00 0.00 C ATOM 552 CE2 PHE A 36 -13.892 -16.908 13.221 1.00 0.00 C ATOM 553 CZ PHE A 36 -14.758 -16.114 13.947 1.00 0.00 C ATOM 0 HA PHE A 36 -10.941 -14.612 10.950 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -13.700 -13.943 9.856 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -12.842 -15.457 9.650 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -14.725 -13.366 12.000 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -12.647 -17.049 11.495 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -15.736 -14.218 14.071 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -13.658 -17.905 13.563 1.00 0.00 H new ATOM 0 HZ PHE A 36 -15.200 -16.489 14.858 1.00 0.00 H new ATOM 563 N GLU A 37 -10.723 -14.252 8.353 1.00 0.00 N ATOM 564 CA GLU A 37 -10.201 -13.856 7.050 1.00 0.00 C ATOM 565 C GLU A 37 -10.115 -15.056 6.112 1.00 0.00 C ATOM 566 O GLU A 37 -9.929 -16.191 6.551 1.00 0.00 O ATOM 567 CB GLU A 37 -8.821 -13.214 7.203 1.00 0.00 C ATOM 568 CG GLU A 37 -8.248 -12.684 5.899 1.00 0.00 C ATOM 569 CD GLU A 37 -6.946 -11.934 6.096 1.00 0.00 C ATOM 570 OE1 GLU A 37 -6.904 -11.035 6.963 1.00 0.00 O ATOM 571 OE2 GLU A 37 -5.968 -12.244 5.383 1.00 0.00 O ATOM 0 H GLU A 37 -10.727 -15.259 8.518 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.887 -13.127 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.888 -12.396 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.132 -13.948 7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.084 -13.516 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.976 -12.023 5.429 1.00 0.00 H new ATOM 578 N CYS A 38 -10.253 -14.797 4.816 1.00 0.00 N ATOM 579 CA CYS A 38 -10.192 -15.853 3.813 1.00 0.00 C ATOM 580 C CYS A 38 -8.779 -16.419 3.704 1.00 0.00 C ATOM 581 O CYS A 38 -7.843 -15.741 3.277 1.00 0.00 O ATOM 582 CB CYS A 38 -10.647 -15.321 2.453 1.00 0.00 C ATOM 583 SG CYS A 38 -11.171 -16.617 1.285 1.00 0.00 S ATOM 0 H CYS A 38 -10.408 -13.863 4.436 1.00 0.00 H new ATOM 0 HA CYS A 38 -10.862 -16.654 4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.474 -14.627 2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.832 -14.752 2.006 1.00 0.00 H new ATOM 0 HG CYS A 38 -10.481 -17.698 1.498 1.00 0.00 H new ATOM 588 N PRO A 39 -8.618 -17.691 4.098 1.00 0.00 N ATOM 589 CA PRO A 39 -7.323 -18.376 4.053 1.00 0.00 C ATOM 590 C PRO A 39 -6.866 -18.658 2.626 1.00 0.00 C ATOM 591 O PRO A 39 -5.807 -19.247 2.407 1.00 0.00 O ATOM 592 CB PRO A 39 -7.589 -19.687 4.798 1.00 0.00 C ATOM 593 CG PRO A 39 -9.053 -19.920 4.642 1.00 0.00 C ATOM 594 CD PRO A 39 -9.689 -18.558 4.617 1.00 0.00 C ATOM 0 HA PRO A 39 -6.528 -17.774 4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.010 -20.508 4.375 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.310 -19.609 5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.265 -20.467 3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.443 -20.518 5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.569 -18.537 3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.012 -18.247 5.611 1.00 0.00 H new ATOM 602 N LYS A 40 -7.669 -18.233 1.657 1.00 0.00 N ATOM 603 CA LYS A 40 -7.347 -18.437 0.250 1.00 0.00 C ATOM 604 C LYS A 40 -6.782 -17.163 -0.370 1.00 0.00 C ATOM 605 O LYS A 40 -5.778 -17.199 -1.082 1.00 0.00 O ATOM 606 CB LYS A 40 -8.592 -18.883 -0.521 1.00 0.00 C ATOM 607 CG LYS A 40 -9.118 -20.242 -0.093 1.00 0.00 C ATOM 608 CD LYS A 40 -8.391 -21.370 -0.806 1.00 0.00 C ATOM 609 CE LYS A 40 -7.165 -21.823 -0.028 1.00 0.00 C ATOM 610 NZ LYS A 40 -6.851 -23.258 -0.273 1.00 0.00 N ATOM 0 H LYS A 40 -8.549 -17.744 1.821 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.589 -19.218 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.378 -18.140 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.359 -18.912 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.001 -20.356 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.185 -20.304 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.069 -22.213 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.091 -21.039 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.309 -21.211 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.332 -21.665 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.009 -23.528 0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.658 -23.845 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.666 -23.405 -1.286 1.00 0.00 H new ATOM 624 N CYS A 41 -7.432 -16.037 -0.093 1.00 0.00 N ATOM 625 CA CYS A 41 -6.994 -14.751 -0.621 1.00 0.00 C ATOM 626 C CYS A 41 -6.506 -13.840 0.501 1.00 0.00 C ATOM 627 O CYS A 41 -5.518 -13.123 0.347 1.00 0.00 O ATOM 628 CB CYS A 41 -8.135 -14.074 -1.383 1.00 0.00 C ATOM 629 SG CYS A 41 -9.609 -13.736 -0.368 1.00 0.00 S ATOM 0 H CYS A 41 -8.264 -15.990 0.495 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.165 -14.931 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.772 -13.135 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.423 -14.707 -2.223 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.144 -14.860 0.008 1.00 0.00 H new ATOM 634 N GLY A 42 -7.206 -13.874 1.631 1.00 0.00 N ATOM 635 CA GLY A 42 -6.829 -13.047 2.762 1.00 0.00 C ATOM 636 C GLY A 42 -7.744 -11.850 2.936 1.00 0.00 C ATOM 637 O GLY A 42 -7.290 -10.755 3.267 1.00 0.00 O ATOM 0 H GLY A 42 -8.027 -14.459 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.847 -13.649 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.804 -12.701 2.629 1.00 0.00 H new ATOM 641 N LYS A 43 -9.037 -12.058 2.711 1.00 0.00 N ATOM 642 CA LYS A 43 -10.019 -10.989 2.844 1.00 0.00 C ATOM 643 C LYS A 43 -10.730 -11.067 4.191 1.00 0.00 C ATOM 644 O LYS A 43 -11.649 -11.866 4.372 1.00 0.00 O ATOM 645 CB LYS A 43 -11.043 -11.065 1.709 1.00 0.00 C ATOM 646 CG LYS A 43 -11.536 -9.706 1.242 1.00 0.00 C ATOM 647 CD LYS A 43 -12.595 -9.146 2.177 1.00 0.00 C ATOM 648 CE LYS A 43 -11.985 -8.228 3.225 1.00 0.00 C ATOM 649 NZ LYS A 43 -12.952 -7.194 3.687 1.00 0.00 N ATOM 0 H LYS A 43 -9.429 -12.958 2.435 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.492 -10.037 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.598 -11.591 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.896 -11.658 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.696 -9.013 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.947 -9.793 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.338 -8.597 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.117 -9.966 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.652 -8.820 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.102 -7.741 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.702 -6.890 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.918 -6.376 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.912 -7.593 3.688 1.00 0.00 H new ATOM 663 N CYS A 44 -10.300 -10.233 5.131 1.00 0.00 N ATOM 664 CA CYS A 44 -10.897 -10.208 6.462 1.00 0.00 C ATOM 665 C CYS A 44 -12.419 -10.248 6.376 1.00 0.00 C ATOM 666 O CYS A 44 -12.996 -10.059 5.304 1.00 0.00 O ATOM 667 CB CYS A 44 -10.449 -8.958 7.221 1.00 0.00 C ATOM 668 SG CYS A 44 -10.861 -7.404 6.392 1.00 0.00 S ATOM 0 H CYS A 44 -9.541 -9.565 4.997 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.559 -11.092 7.002 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.907 -8.963 8.210 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -9.370 -9.003 7.370 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.444 -6.405 7.111 1.00 0.00 H new ATOM 674 N TYR A 45 -13.064 -10.495 7.510 1.00 0.00 N ATOM 675 CA TYR A 45 -14.519 -10.564 7.563 1.00 0.00 C ATOM 676 C TYR A 45 -15.005 -10.743 8.998 1.00 0.00 C ATOM 677 O TYR A 45 -14.804 -11.794 9.607 1.00 0.00 O ATOM 678 CB TYR A 45 -15.028 -11.715 6.693 1.00 0.00 C ATOM 679 CG TYR A 45 -15.265 -11.326 5.252 1.00 0.00 C ATOM 680 CD1 TYR A 45 -16.153 -10.309 4.923 1.00 0.00 C ATOM 681 CD2 TYR A 45 -14.602 -11.976 4.218 1.00 0.00 C ATOM 682 CE1 TYR A 45 -16.373 -9.951 3.607 1.00 0.00 C ATOM 683 CE2 TYR A 45 -14.815 -11.623 2.900 1.00 0.00 C ATOM 684 CZ TYR A 45 -15.702 -10.610 2.599 1.00 0.00 C ATOM 685 OH TYR A 45 -15.918 -10.257 1.287 1.00 0.00 O ATOM 0 H TYR A 45 -12.602 -10.651 8.406 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.916 -9.624 7.179 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -14.306 -12.531 6.726 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -15.958 -12.095 7.116 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.680 -9.790 5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -13.908 -12.771 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -17.067 -9.159 3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.290 -12.137 2.109 1.00 0.00 H new ATOM 0 HH TYR A 45 -15.367 -10.818 0.702 1.00 0.00 H new ATOM 695 N PHE A 46 -15.645 -9.708 9.532 1.00 0.00 N ATOM 696 CA PHE A 46 -16.160 -9.749 10.896 1.00 0.00 C ATOM 697 C PHE A 46 -17.212 -10.844 11.048 1.00 0.00 C ATOM 698 O PHE A 46 -17.241 -11.557 12.051 1.00 0.00 O ATOM 699 CB PHE A 46 -16.759 -8.394 11.278 1.00 0.00 C ATOM 700 CG PHE A 46 -16.089 -7.231 10.604 1.00 0.00 C ATOM 701 CD1 PHE A 46 -16.525 -6.786 9.366 1.00 0.00 C ATOM 702 CD2 PHE A 46 -15.024 -6.583 11.208 1.00 0.00 C ATOM 703 CE1 PHE A 46 -15.911 -5.715 8.743 1.00 0.00 C ATOM 704 CE2 PHE A 46 -14.406 -5.512 10.590 1.00 0.00 C ATOM 705 CZ PHE A 46 -14.850 -5.078 9.355 1.00 0.00 C ATOM 0 H PHE A 46 -15.819 -8.831 9.041 1.00 0.00 H new ATOM 0 HA PHE A 46 -15.329 -9.973 11.565 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -17.819 -8.390 11.024 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -16.690 -8.267 12.358 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -17.354 -7.281 8.882 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.673 -6.918 12.173 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.261 -5.377 7.779 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -13.577 -5.015 11.072 1.00 0.00 H new ATOM 0 HZ PHE A 46 -14.368 -4.242 8.870 1.00 0.00 H new ATOM 715 N ARG A 47 -18.075 -10.970 10.045 1.00 0.00 N ATOM 716 CA ARG A 47 -19.130 -11.976 10.066 1.00 0.00 C ATOM 717 C ARG A 47 -18.619 -13.311 9.533 1.00 0.00 C ATOM 718 O ARG A 47 -18.308 -13.441 8.349 1.00 0.00 O ATOM 719 CB ARG A 47 -20.327 -11.508 9.237 1.00 0.00 C ATOM 720 CG ARG A 47 -21.012 -10.273 9.799 1.00 0.00 C ATOM 721 CD ARG A 47 -20.458 -8.998 9.182 1.00 0.00 C ATOM 722 NE ARG A 47 -21.045 -8.724 7.873 1.00 0.00 N ATOM 723 CZ ARG A 47 -20.621 -7.758 7.065 1.00 0.00 C ATOM 724 NH1 ARG A 47 -19.612 -6.979 7.431 1.00 0.00 N ATOM 725 NH2 ARG A 47 -21.207 -7.570 5.890 1.00 0.00 N ATOM 0 H ARG A 47 -18.064 -10.388 9.208 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.445 -12.114 11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.994 -11.298 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -21.053 -12.318 9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -22.084 -10.333 9.611 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.879 -10.243 10.880 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.652 -8.158 9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.376 -9.083 9.083 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.823 -9.306 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -19.160 -7.121 8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -19.288 -6.238 6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.984 -8.167 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.881 -6.828 5.270 1.00 0.00 H new ATOM 739 N LYS A 48 -18.535 -14.301 10.415 1.00 0.00 N ATOM 740 CA LYS A 48 -18.063 -15.627 10.035 1.00 0.00 C ATOM 741 C LYS A 48 -18.788 -16.126 8.789 1.00 0.00 C ATOM 742 O LYS A 48 -18.157 -16.458 7.786 1.00 0.00 O ATOM 743 CB LYS A 48 -18.269 -16.614 11.187 1.00 0.00 C ATOM 744 CG LYS A 48 -18.014 -18.061 10.801 1.00 0.00 C ATOM 745 CD LYS A 48 -17.575 -18.888 11.997 1.00 0.00 C ATOM 746 CE LYS A 48 -17.062 -20.255 11.571 1.00 0.00 C ATOM 747 NZ LYS A 48 -16.635 -21.075 12.739 1.00 0.00 N ATOM 0 H LYS A 48 -18.788 -14.210 11.399 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.999 -15.556 9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.606 -16.344 12.009 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.290 -16.520 11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.921 -18.490 10.374 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.247 -18.102 10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.793 -18.358 12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.413 -19.010 12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.843 -20.782 11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.222 -20.131 10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.292 -21.999 12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.872 -20.584 13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.443 -21.215 13.379 1.00 0.00 H new ATOM 761 N GLU A 49 -20.114 -16.174 8.860 1.00 0.00 N ATOM 762 CA GLU A 49 -20.923 -16.632 7.737 1.00 0.00 C ATOM 763 C GLU A 49 -20.478 -15.965 6.438 1.00 0.00 C ATOM 764 O GLU A 49 -20.123 -16.639 5.472 1.00 0.00 O ATOM 765 CB GLU A 49 -22.403 -16.339 7.992 1.00 0.00 C ATOM 766 CG GLU A 49 -23.337 -17.028 7.012 1.00 0.00 C ATOM 767 CD GLU A 49 -24.763 -16.521 7.110 1.00 0.00 C ATOM 768 OE1 GLU A 49 -25.500 -16.994 8.000 1.00 0.00 O ATOM 769 OE2 GLU A 49 -25.142 -15.652 6.297 1.00 0.00 O ATOM 0 H GLU A 49 -20.651 -15.901 9.683 1.00 0.00 H new ATOM 0 HA GLU A 49 -20.785 -17.709 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -22.657 -16.652 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -22.566 -15.262 7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -22.970 -16.875 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -23.324 -18.102 7.197 1.00 0.00 H new ATOM 776 N ASN A 50 -20.500 -14.636 6.425 1.00 0.00 N ATOM 777 CA ASN A 50 -20.100 -13.877 5.246 1.00 0.00 C ATOM 778 C ASN A 50 -18.791 -14.412 4.673 1.00 0.00 C ATOM 779 O ASN A 50 -18.680 -14.652 3.470 1.00 0.00 O ATOM 780 CB ASN A 50 -19.948 -12.395 5.595 1.00 0.00 C ATOM 781 CG ASN A 50 -21.279 -11.668 5.621 1.00 0.00 C ATOM 782 OD1 ASN A 50 -22.099 -11.972 6.621 1.00 0.00 O flip ATOM 783 ND2 ASN A 50 -21.566 -10.844 4.753 1.00 0.00 N flip ATOM 0 H ASN A 50 -20.790 -14.063 7.217 1.00 0.00 H new ATOM 0 HA ASN A 50 -20.879 -13.988 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -19.467 -12.301 6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -19.291 -11.919 4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -20.905 -10.642 4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -22.465 -10.363 4.784 1.00 0.00 H new ATOM 790 N LEU A 51 -17.803 -14.597 5.541 1.00 0.00 N ATOM 791 CA LEU A 51 -16.501 -15.105 5.122 1.00 0.00 C ATOM 792 C LEU A 51 -16.646 -16.433 4.386 1.00 0.00 C ATOM 793 O LEU A 51 -16.156 -16.592 3.267 1.00 0.00 O ATOM 794 CB LEU A 51 -15.585 -15.278 6.335 1.00 0.00 C ATOM 795 CG LEU A 51 -14.295 -16.064 6.095 1.00 0.00 C ATOM 796 CD1 LEU A 51 -13.390 -15.320 5.125 1.00 0.00 C ATOM 797 CD2 LEU A 51 -13.575 -16.320 7.410 1.00 0.00 C ATOM 0 H LEU A 51 -17.878 -14.403 6.540 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.057 -14.380 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -15.320 -14.289 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -16.149 -15.776 7.123 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.554 -17.026 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.477 -15.894 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.906 -15.188 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.137 -14.344 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.659 -16.880 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.327 -15.368 7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.222 -16.895 8.073 1.00 0.00 H new ATOM 809 N LEU A 52 -17.323 -17.384 5.020 1.00 0.00 N ATOM 810 CA LEU A 52 -17.535 -18.699 4.425 1.00 0.00 C ATOM 811 C LEU A 52 -18.179 -18.576 3.048 1.00 0.00 C ATOM 812 O LEU A 52 -17.795 -19.272 2.109 1.00 0.00 O ATOM 813 CB LEU A 52 -18.413 -19.558 5.337 1.00 0.00 C ATOM 814 CG LEU A 52 -17.749 -20.081 6.611 1.00 0.00 C ATOM 815 CD1 LEU A 52 -18.781 -20.720 7.527 1.00 0.00 C ATOM 816 CD2 LEU A 52 -16.648 -21.074 6.269 1.00 0.00 C ATOM 0 H LEU A 52 -17.735 -17.269 5.946 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.563 -19.179 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.288 -18.973 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.773 -20.411 4.762 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.300 -19.238 7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.290 -21.086 8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -19.534 -19.980 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -19.260 -21.552 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.186 -21.436 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.074 -21.915 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.894 -20.584 5.653 1.00 0.00 H new ATOM 828 N GLU A 53 -19.158 -17.684 2.935 1.00 0.00 N ATOM 829 CA GLU A 53 -19.853 -17.469 1.672 1.00 0.00 C ATOM 830 C GLU A 53 -18.887 -16.986 0.594 1.00 0.00 C ATOM 831 O GLU A 53 -18.658 -17.672 -0.402 1.00 0.00 O ATOM 832 CB GLU A 53 -20.983 -16.453 1.852 1.00 0.00 C ATOM 833 CG GLU A 53 -22.032 -16.882 2.864 1.00 0.00 C ATOM 834 CD GLU A 53 -23.385 -16.248 2.606 1.00 0.00 C ATOM 835 OE1 GLU A 53 -23.697 -15.976 1.428 1.00 0.00 O ATOM 836 OE2 GLU A 53 -24.131 -16.024 3.582 1.00 0.00 O ATOM 0 H GLU A 53 -19.487 -17.099 3.703 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.278 -18.421 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.557 -15.500 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -21.466 -16.285 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.133 -17.967 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.695 -16.616 3.866 1.00 0.00 H new ATOM 843 N HIS A 54 -18.324 -15.800 0.801 1.00 0.00 N ATOM 844 CA HIS A 54 -17.382 -15.224 -0.152 1.00 0.00 C ATOM 845 C HIS A 54 -16.519 -16.310 -0.787 1.00 0.00 C ATOM 846 O HIS A 54 -16.329 -16.332 -2.003 1.00 0.00 O ATOM 847 CB HIS A 54 -16.493 -14.190 0.539 1.00 0.00 C ATOM 848 CG HIS A 54 -15.120 -14.090 -0.052 1.00 0.00 C ATOM 849 ND1 HIS A 54 -14.059 -14.926 0.027 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -14.711 -13.027 -0.830 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -13.040 -14.361 -0.698 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -13.459 -13.216 -1.206 1.00 0.00 N flip ATOM 0 H HIS A 54 -18.504 -15.219 1.620 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.954 -14.733 -0.939 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -16.975 -13.214 0.484 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -16.407 -14.445 1.595 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.319 -12.174 -1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.055 -14.784 -0.832 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.909 -12.585 -1.789 1.00 0.00 H new ATOM 860 N GLU A 55 -16.000 -17.209 0.044 1.00 0.00 N ATOM 861 CA GLU A 55 -15.156 -18.296 -0.438 1.00 0.00 C ATOM 862 C GLU A 55 -15.821 -19.026 -1.602 1.00 0.00 C ATOM 863 O GLU A 55 -15.183 -19.311 -2.615 1.00 0.00 O ATOM 864 CB GLU A 55 -14.861 -19.282 0.694 1.00 0.00 C ATOM 865 CG GLU A 55 -13.642 -18.912 1.522 1.00 0.00 C ATOM 866 CD GLU A 55 -12.352 -19.449 0.933 1.00 0.00 C ATOM 867 OE1 GLU A 55 -12.112 -19.225 -0.272 1.00 0.00 O ATOM 868 OE2 GLU A 55 -11.583 -20.092 1.676 1.00 0.00 O ATOM 0 H GLU A 55 -16.149 -17.206 1.053 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.218 -17.865 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.730 -19.341 1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.714 -20.275 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.577 -17.827 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.764 -19.299 2.534 1.00 0.00 H new ATOM 875 N ALA A 56 -17.107 -19.325 -1.448 1.00 0.00 N ATOM 876 CA ALA A 56 -17.859 -20.020 -2.486 1.00 0.00 C ATOM 877 C ALA A 56 -18.363 -19.044 -3.544 1.00 0.00 C ATOM 878 O ALA A 56 -18.189 -19.269 -4.742 1.00 0.00 O ATOM 879 CB ALA A 56 -19.022 -20.784 -1.873 1.00 0.00 C ATOM 0 H ALA A 56 -17.650 -19.097 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.190 -20.729 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -19.575 -21.298 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -18.641 -21.515 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -19.685 -20.087 -1.360 1.00 0.00 H new ATOM 885 N ARG A 57 -18.990 -17.962 -3.094 1.00 0.00 N ATOM 886 CA ARG A 57 -19.522 -16.954 -4.003 1.00 0.00 C ATOM 887 C ARG A 57 -18.440 -16.460 -4.960 1.00 0.00 C ATOM 888 O ARG A 57 -18.533 -16.655 -6.171 1.00 0.00 O ATOM 889 CB ARG A 57 -20.095 -15.776 -3.213 1.00 0.00 C ATOM 890 CG ARG A 57 -21.293 -15.120 -3.881 1.00 0.00 C ATOM 891 CD ARG A 57 -20.867 -13.987 -4.800 1.00 0.00 C ATOM 892 NE ARG A 57 -20.502 -14.468 -6.130 1.00 0.00 N ATOM 893 CZ ARG A 57 -20.550 -13.714 -7.223 1.00 0.00 C ATOM 894 NH1 ARG A 57 -20.945 -12.451 -7.144 1.00 0.00 N ATOM 895 NH2 ARG A 57 -20.202 -14.224 -8.397 1.00 0.00 N ATOM 0 H ARG A 57 -19.142 -17.761 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 57 -20.319 -17.413 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -20.387 -16.122 -2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -19.314 -15.029 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -21.845 -15.866 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -21.971 -14.736 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -21.679 -13.265 -4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.019 -13.462 -4.359 1.00 0.00 H new ATOM 0 HE ARG A 57 -20.193 -15.436 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -21.213 -12.056 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -20.981 -11.874 -7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -19.897 -15.195 -8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.239 -13.645 -9.236 1.00 0.00 H new ATOM 909 N ASN A 58 -17.416 -15.819 -4.407 1.00 0.00 N ATOM 910 CA ASN A 58 -16.317 -15.296 -5.211 1.00 0.00 C ATOM 911 C ASN A 58 -15.103 -14.991 -4.340 1.00 0.00 C ATOM 912 O ASN A 58 -15.218 -14.340 -3.300 1.00 0.00 O ATOM 913 CB ASN A 58 -16.757 -14.032 -5.952 1.00 0.00 C ATOM 914 CG ASN A 58 -15.676 -13.495 -6.870 1.00 0.00 C ATOM 915 OD1 ASN A 58 -14.969 -12.548 -6.526 1.00 0.00 O ATOM 916 ND2 ASN A 58 -15.545 -14.098 -8.046 1.00 0.00 N ATOM 0 H ASN A 58 -17.324 -15.649 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.038 -16.058 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.651 -14.249 -6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.028 -13.265 -5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.836 -13.779 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.154 -14.880 -8.289 1.00 0.00 H new ATOM 1031 N VAL A 66 3.949 -11.444 -10.278 1.00 0.00 N ATOM 1032 CA VAL A 66 4.869 -10.621 -9.502 1.00 0.00 C ATOM 1033 C VAL A 66 6.110 -10.269 -10.315 1.00 0.00 C ATOM 1034 O VAL A 66 6.402 -10.902 -11.329 1.00 0.00 O ATOM 1035 CB VAL A 66 5.302 -11.331 -8.206 1.00 0.00 C ATOM 1036 CG1 VAL A 66 4.131 -11.442 -7.241 1.00 0.00 C ATOM 1037 CG2 VAL A 66 5.877 -12.704 -8.519 1.00 0.00 C ATOM 0 HA VAL A 66 4.335 -9.706 -9.244 1.00 0.00 H new ATOM 0 HB VAL A 66 6.080 -10.736 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.456 -11.946 -6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.768 -10.445 -6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.329 -12.015 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.178 -13.192 -7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.121 -13.310 -9.019 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.744 -12.595 -9.170 1.00 0.00 H new ATOM 1047 N PHE A 67 6.839 -9.254 -9.862 1.00 0.00 N ATOM 1048 CA PHE A 67 8.050 -8.817 -10.547 1.00 0.00 C ATOM 1049 C PHE A 67 9.293 -9.187 -9.744 1.00 0.00 C ATOM 1050 O PHE A 67 9.201 -9.578 -8.580 1.00 0.00 O ATOM 1051 CB PHE A 67 8.011 -7.305 -10.780 1.00 0.00 C ATOM 1052 CG PHE A 67 6.922 -6.871 -11.718 1.00 0.00 C ATOM 1053 CD1 PHE A 67 5.589 -7.017 -11.369 1.00 0.00 C ATOM 1054 CD2 PHE A 67 7.230 -6.316 -12.950 1.00 0.00 C ATOM 1055 CE1 PHE A 67 4.584 -6.618 -12.230 1.00 0.00 C ATOM 1056 CE2 PHE A 67 6.230 -5.915 -13.815 1.00 0.00 C ATOM 1057 CZ PHE A 67 4.905 -6.067 -13.455 1.00 0.00 C ATOM 0 H PHE A 67 6.612 -8.719 -9.024 1.00 0.00 H new ATOM 0 HA PHE A 67 8.097 -9.326 -11.510 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.877 -6.801 -9.823 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.973 -6.982 -11.178 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.332 -7.448 -10.413 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.264 -6.196 -13.237 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.549 -6.737 -11.945 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.484 -5.483 -14.772 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.122 -5.756 -14.130 1.00 0.00 H new ATOM 1067 N THR A 68 10.457 -9.062 -10.374 1.00 0.00 N ATOM 1068 CA THR A 68 11.719 -9.385 -9.721 1.00 0.00 C ATOM 1069 C THR A 68 12.744 -8.275 -9.926 1.00 0.00 C ATOM 1070 O THR A 68 13.039 -7.890 -11.058 1.00 0.00 O ATOM 1071 CB THR A 68 12.301 -10.710 -10.248 1.00 0.00 C ATOM 1072 OG1 THR A 68 11.360 -11.771 -10.052 1.00 0.00 O ATOM 1073 CG2 THR A 68 13.606 -11.046 -9.541 1.00 0.00 C ATOM 0 H THR A 68 10.551 -8.739 -11.337 1.00 0.00 H new ATOM 0 HA THR A 68 11.507 -9.488 -8.657 1.00 0.00 H new ATOM 0 HB THR A 68 12.501 -10.595 -11.313 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.737 -12.610 -10.391 1.00 0.00 H new ATOM 0 HG21 THR A 68 13.999 -11.986 -9.929 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.330 -10.250 -9.716 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.425 -11.143 -8.470 1.00 0.00 H new ATOM 1081 N CYS A 69 13.285 -7.765 -8.825 1.00 0.00 N ATOM 1082 CA CYS A 69 14.278 -6.699 -8.883 1.00 0.00 C ATOM 1083 C CYS A 69 15.467 -7.110 -9.748 1.00 0.00 C ATOM 1084 O CYS A 69 15.594 -8.272 -10.134 1.00 0.00 O ATOM 1085 CB CYS A 69 14.757 -6.342 -7.475 1.00 0.00 C ATOM 1086 SG CYS A 69 15.557 -4.710 -7.353 1.00 0.00 S ATOM 0 H CYS A 69 13.052 -8.073 -7.881 1.00 0.00 H new ATOM 0 HA CYS A 69 13.809 -5.824 -9.332 1.00 0.00 H new ATOM 0 HB2 CYS A 69 13.905 -6.369 -6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 69 15.459 -7.105 -7.137 1.00 0.00 H new ATOM 0 HG CYS A 69 16.582 -4.788 -6.558 1.00 0.00 H new ATOM 1091 N SER A 70 16.334 -6.148 -10.047 1.00 0.00 N ATOM 1092 CA SER A 70 17.511 -6.409 -10.868 1.00 0.00 C ATOM 1093 C SER A 70 18.789 -6.260 -10.048 1.00 0.00 C ATOM 1094 O SER A 70 19.895 -6.336 -10.583 1.00 0.00 O ATOM 1095 CB SER A 70 17.545 -5.456 -12.064 1.00 0.00 C ATOM 1096 OG SER A 70 18.561 -5.823 -12.980 1.00 0.00 O ATOM 0 H SER A 70 16.244 -5.182 -9.733 1.00 0.00 H new ATOM 0 HA SER A 70 17.451 -7.435 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.578 -5.464 -12.567 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.715 -4.437 -11.716 1.00 0.00 H new ATOM 0 HG SER A 70 19.325 -6.193 -12.490 1.00 0.00 H new ATOM 1102 N VAL A 71 18.628 -6.046 -8.746 1.00 0.00 N ATOM 1103 CA VAL A 71 19.768 -5.888 -7.851 1.00 0.00 C ATOM 1104 C VAL A 71 19.722 -6.905 -6.717 1.00 0.00 C ATOM 1105 O VAL A 71 20.712 -7.579 -6.432 1.00 0.00 O ATOM 1106 CB VAL A 71 19.818 -4.469 -7.252 1.00 0.00 C ATOM 1107 CG1 VAL A 71 20.959 -4.351 -6.254 1.00 0.00 C ATOM 1108 CG2 VAL A 71 19.953 -3.430 -8.355 1.00 0.00 C ATOM 0 H VAL A 71 17.719 -5.978 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 71 20.665 -6.055 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 71 18.884 -4.283 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.979 -3.342 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 71 20.813 -5.070 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.904 -4.556 -6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 71 19.987 -2.434 -7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 71 20.871 -3.611 -8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 71 19.098 -3.500 -9.028 1.00 0.00 H new ATOM 1118 N CYS A 72 18.565 -7.011 -6.072 1.00 0.00 N ATOM 1119 CA CYS A 72 18.388 -7.947 -4.967 1.00 0.00 C ATOM 1120 C CYS A 72 17.409 -9.055 -5.344 1.00 0.00 C ATOM 1121 O CYS A 72 17.212 -10.006 -4.589 1.00 0.00 O ATOM 1122 CB CYS A 72 17.887 -7.210 -3.723 1.00 0.00 C ATOM 1123 SG CYS A 72 16.296 -6.354 -3.956 1.00 0.00 S ATOM 0 H CYS A 72 17.736 -6.460 -6.295 1.00 0.00 H new ATOM 0 HA CYS A 72 19.355 -8.400 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.787 -7.925 -2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 72 18.638 -6.481 -3.418 1.00 0.00 H new ATOM 0 HG CYS A 72 15.486 -6.674 -2.991 1.00 0.00 H new ATOM 1128 N GLN A 73 16.798 -8.923 -6.518 1.00 0.00 N ATOM 1129 CA GLN A 73 15.840 -9.913 -6.995 1.00 0.00 C ATOM 1130 C GLN A 73 14.623 -9.979 -6.077 1.00 0.00 C ATOM 1131 O GLN A 73 14.057 -11.049 -5.858 1.00 0.00 O ATOM 1132 CB GLN A 73 16.499 -11.290 -7.087 1.00 0.00 C ATOM 1133 CG GLN A 73 17.846 -11.273 -7.790 1.00 0.00 C ATOM 1134 CD GLN A 73 17.837 -10.429 -9.050 1.00 0.00 C ATOM 1135 OE1 GLN A 73 17.082 -10.698 -9.985 1.00 0.00 O ATOM 1136 NE2 GLN A 73 18.677 -9.401 -9.080 1.00 0.00 N ATOM 0 H GLN A 73 16.950 -8.141 -7.155 1.00 0.00 H new ATOM 0 HA GLN A 73 15.508 -9.611 -7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 73 16.628 -11.690 -6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.831 -11.969 -7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 73 18.603 -10.890 -7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 73 18.132 -12.294 -8.043 1.00 0.00 H new ATOM 0 HE21 GLN A 73 19.285 -9.215 -8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 73 18.715 -8.797 -9.901 1.00 0.00 H new ATOM 1145 N GLU A 74 14.227 -8.827 -5.543 1.00 0.00 N ATOM 1146 CA GLU A 74 13.079 -8.756 -4.648 1.00 0.00 C ATOM 1147 C GLU A 74 11.814 -9.249 -5.346 1.00 0.00 C ATOM 1148 O GLU A 74 11.852 -9.669 -6.503 1.00 0.00 O ATOM 1149 CB GLU A 74 12.876 -7.321 -4.156 1.00 0.00 C ATOM 1150 CG GLU A 74 12.366 -7.234 -2.727 1.00 0.00 C ATOM 1151 CD GLU A 74 12.992 -8.276 -1.820 1.00 0.00 C ATOM 1152 OE1 GLU A 74 14.225 -8.229 -1.626 1.00 0.00 O ATOM 1153 OE2 GLU A 74 12.249 -9.138 -1.305 1.00 0.00 O ATOM 0 H GLU A 74 14.684 -7.932 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 74 13.277 -9.402 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.822 -6.784 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.171 -6.816 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.574 -6.240 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.283 -7.358 -2.723 1.00 0.00 H new ATOM 1160 N THR A 75 10.693 -9.195 -4.633 1.00 0.00 N ATOM 1161 CA THR A 75 9.417 -9.638 -5.181 1.00 0.00 C ATOM 1162 C THR A 75 8.354 -8.554 -5.042 1.00 0.00 C ATOM 1163 O THR A 75 8.129 -8.027 -3.953 1.00 0.00 O ATOM 1164 CB THR A 75 8.921 -10.920 -4.486 1.00 0.00 C ATOM 1165 OG1 THR A 75 9.034 -10.782 -3.066 1.00 0.00 O ATOM 1166 CG2 THR A 75 9.719 -12.129 -4.949 1.00 0.00 C ATOM 0 H THR A 75 10.643 -8.849 -3.675 1.00 0.00 H new ATOM 0 HA THR A 75 9.583 -9.848 -6.238 1.00 0.00 H new ATOM 0 HB THR A 75 7.875 -11.071 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.765 -9.877 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.351 -13.023 -4.445 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.607 -12.248 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.772 -11.984 -4.708 1.00 0.00 H new ATOM 1174 N PHE A 76 7.701 -8.226 -6.153 1.00 0.00 N ATOM 1175 CA PHE A 76 6.661 -7.204 -6.154 1.00 0.00 C ATOM 1176 C PHE A 76 5.398 -7.715 -6.842 1.00 0.00 C ATOM 1177 O PHE A 76 5.448 -8.653 -7.637 1.00 0.00 O ATOM 1178 CB PHE A 76 7.160 -5.939 -6.855 1.00 0.00 C ATOM 1179 CG PHE A 76 8.530 -5.511 -6.414 1.00 0.00 C ATOM 1180 CD1 PHE A 76 9.659 -6.165 -6.879 1.00 0.00 C ATOM 1181 CD2 PHE A 76 8.689 -4.453 -5.533 1.00 0.00 C ATOM 1182 CE1 PHE A 76 10.921 -5.773 -6.475 1.00 0.00 C ATOM 1183 CE2 PHE A 76 9.949 -4.056 -5.126 1.00 0.00 C ATOM 1184 CZ PHE A 76 11.066 -4.718 -5.597 1.00 0.00 C ATOM 0 H PHE A 76 7.874 -8.653 -7.063 1.00 0.00 H new ATOM 0 HA PHE A 76 6.419 -6.966 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.170 -6.110 -7.932 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.457 -5.128 -6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.552 -6.992 -7.566 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.819 -3.933 -5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.793 -6.292 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.060 -3.229 -4.440 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.051 -4.411 -5.279 1.00 0.00 H new ATOM 1194 N ARG A 77 4.267 -7.092 -6.528 1.00 0.00 N ATOM 1195 CA ARG A 77 2.991 -7.483 -7.113 1.00 0.00 C ATOM 1196 C ARG A 77 2.710 -6.690 -8.386 1.00 0.00 C ATOM 1197 O ARG A 77 2.079 -7.193 -9.316 1.00 0.00 O ATOM 1198 CB ARG A 77 1.858 -7.272 -6.107 1.00 0.00 C ATOM 1199 CG ARG A 77 1.710 -5.830 -5.649 1.00 0.00 C ATOM 1200 CD ARG A 77 2.465 -5.577 -4.354 1.00 0.00 C ATOM 1201 NE ARG A 77 1.833 -4.537 -3.547 1.00 0.00 N ATOM 1202 CZ ARG A 77 1.974 -4.442 -2.229 1.00 0.00 C ATOM 1203 NH1 ARG A 77 2.720 -5.320 -1.574 1.00 0.00 N ATOM 1204 NH2 ARG A 77 1.367 -3.467 -1.564 1.00 0.00 N ATOM 0 H ARG A 77 4.209 -6.314 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 77 3.047 -8.541 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.920 -7.600 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.034 -7.904 -5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.082 -5.161 -6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.654 -5.599 -5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.517 -6.501 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.490 -5.286 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 77 1.252 -3.846 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.188 -6.071 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.826 -5.245 -0.562 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.792 -2.790 -2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.476 -3.395 -0.552 1.00 0.00 H new ATOM 1218 N ARG A 78 3.181 -5.448 -8.419 1.00 0.00 N ATOM 1219 CA ARG A 78 2.979 -4.584 -9.576 1.00 0.00 C ATOM 1220 C ARG A 78 4.304 -4.002 -10.058 1.00 0.00 C ATOM 1221 O ARG A 78 5.286 -3.969 -9.316 1.00 0.00 O ATOM 1222 CB ARG A 78 2.008 -3.453 -9.231 1.00 0.00 C ATOM 1223 CG ARG A 78 0.614 -3.936 -8.868 1.00 0.00 C ATOM 1224 CD ARG A 78 -0.098 -2.949 -7.957 1.00 0.00 C ATOM 1225 NE ARG A 78 -1.514 -3.270 -7.802 1.00 0.00 N ATOM 1226 CZ ARG A 78 -2.265 -2.821 -6.802 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -1.737 -2.035 -5.874 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -3.546 -3.157 -6.729 1.00 0.00 N ATOM 0 H ARG A 78 3.705 -5.017 -7.658 1.00 0.00 H new ATOM 0 HA ARG A 78 2.554 -5.187 -10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.413 -2.880 -8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.938 -2.774 -10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.030 -4.081 -9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.681 -4.906 -8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.382 -2.947 -6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.003 -1.943 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.951 -3.872 -8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.752 -1.774 -5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.315 -1.691 -5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.956 -3.761 -7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.121 -2.811 -5.961 1.00 0.00 H new ATOM 1242 N ARG A 79 4.325 -3.546 -11.306 1.00 0.00 N ATOM 1243 CA ARG A 79 5.530 -2.967 -11.888 1.00 0.00 C ATOM 1244 C ARG A 79 5.954 -1.714 -11.127 1.00 0.00 C ATOM 1245 O ARG A 79 7.046 -1.660 -10.561 1.00 0.00 O ATOM 1246 CB ARG A 79 5.298 -2.627 -13.361 1.00 0.00 C ATOM 1247 CG ARG A 79 6.465 -1.900 -14.009 1.00 0.00 C ATOM 1248 CD ARG A 79 7.435 -2.873 -14.661 1.00 0.00 C ATOM 1249 NE ARG A 79 8.573 -2.187 -15.268 1.00 0.00 N ATOM 1250 CZ ARG A 79 9.231 -2.650 -16.325 1.00 0.00 C ATOM 1251 NH1 ARG A 79 8.866 -3.792 -16.890 1.00 0.00 N ATOM 1252 NH2 ARG A 79 10.257 -1.968 -16.819 1.00 0.00 N ATOM 0 H ARG A 79 3.521 -3.566 -11.934 1.00 0.00 H new ATOM 0 HA ARG A 79 6.329 -3.705 -11.813 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.104 -3.548 -13.911 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.404 -2.010 -13.446 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.090 -1.202 -14.758 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.990 -1.310 -13.258 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.795 -3.581 -13.915 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.912 -3.451 -15.423 1.00 0.00 H new ATOM 0 HE ARG A 79 8.879 -1.305 -14.858 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.078 -4.318 -16.513 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.373 -4.145 -17.702 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.540 -1.088 -16.387 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.762 -2.323 -17.631 1.00 0.00 H new ATOM 1266 N MET A 80 5.083 -0.711 -11.118 1.00 0.00 N ATOM 1267 CA MET A 80 5.368 0.541 -10.425 1.00 0.00 C ATOM 1268 C MET A 80 6.091 0.281 -9.107 1.00 0.00 C ATOM 1269 O MET A 80 7.129 0.881 -8.831 1.00 0.00 O ATOM 1270 CB MET A 80 4.071 1.311 -10.166 1.00 0.00 C ATOM 1271 CG MET A 80 4.255 2.527 -9.271 1.00 0.00 C ATOM 1272 SD MET A 80 4.530 4.043 -10.208 1.00 0.00 S ATOM 1273 CE MET A 80 6.278 3.901 -10.576 1.00 0.00 C ATOM 0 H MET A 80 4.175 -0.740 -11.582 1.00 0.00 H new ATOM 0 HA MET A 80 6.018 1.141 -11.062 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.652 1.632 -11.120 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.345 0.640 -9.708 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.373 2.648 -8.643 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.101 2.358 -8.604 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.741 4.887 -10.528 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.751 3.242 -9.848 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.407 3.488 -11.576 1.00 0.00 H new ATOM 1283 N GLU A 81 5.535 -0.616 -8.299 1.00 0.00 N ATOM 1284 CA GLU A 81 6.128 -0.953 -7.010 1.00 0.00 C ATOM 1285 C GLU A 81 7.639 -1.120 -7.134 1.00 0.00 C ATOM 1286 O GLU A 81 8.405 -0.541 -6.362 1.00 0.00 O ATOM 1287 CB GLU A 81 5.505 -2.237 -6.457 1.00 0.00 C ATOM 1288 CG GLU A 81 4.018 -2.116 -6.168 1.00 0.00 C ATOM 1289 CD GLU A 81 3.731 -1.323 -4.908 1.00 0.00 C ATOM 1290 OE1 GLU A 81 4.386 -0.279 -4.703 1.00 0.00 O ATOM 1291 OE2 GLU A 81 2.854 -1.745 -4.127 1.00 0.00 O ATOM 0 H GLU A 81 4.676 -1.122 -8.514 1.00 0.00 H new ATOM 0 HA GLU A 81 5.926 -0.134 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.663 -3.045 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.023 -2.517 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.525 -1.637 -7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.588 -3.113 -6.071 1.00 0.00 H new ATOM 1298 N LEU A 82 8.063 -1.917 -8.109 1.00 0.00 N ATOM 1299 CA LEU A 82 9.483 -2.162 -8.335 1.00 0.00 C ATOM 1300 C LEU A 82 10.238 -0.851 -8.527 1.00 0.00 C ATOM 1301 O LEU A 82 11.330 -0.667 -7.989 1.00 0.00 O ATOM 1302 CB LEU A 82 9.677 -3.060 -9.558 1.00 0.00 C ATOM 1303 CG LEU A 82 11.121 -3.260 -10.021 1.00 0.00 C ATOM 1304 CD1 LEU A 82 11.998 -3.700 -8.859 1.00 0.00 C ATOM 1305 CD2 LEU A 82 11.182 -4.276 -11.152 1.00 0.00 C ATOM 0 H LEU A 82 7.443 -2.405 -8.756 1.00 0.00 H new ATOM 0 HA LEU A 82 9.884 -2.665 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.248 -4.038 -9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.106 -2.641 -10.386 1.00 0.00 H new ATOM 0 HG LEU A 82 11.498 -2.308 -10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.022 -3.837 -9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.979 -2.938 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.623 -4.641 -8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.217 -4.406 -11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.786 -5.231 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.587 -3.920 -11.993 1.00 0.00 H new ATOM 1317 N ARG A 83 9.648 0.058 -9.296 1.00 0.00 N ATOM 1318 CA ARG A 83 10.265 1.353 -9.558 1.00 0.00 C ATOM 1319 C ARG A 83 10.517 2.109 -8.257 1.00 0.00 C ATOM 1320 O ARG A 83 11.629 2.573 -8.001 1.00 0.00 O ATOM 1321 CB ARG A 83 9.375 2.188 -10.481 1.00 0.00 C ATOM 1322 CG ARG A 83 9.047 1.501 -11.796 1.00 0.00 C ATOM 1323 CD ARG A 83 10.258 1.446 -12.714 1.00 0.00 C ATOM 1324 NE ARG A 83 11.020 0.211 -12.542 1.00 0.00 N ATOM 1325 CZ ARG A 83 12.311 0.098 -12.833 1.00 0.00 C ATOM 1326 NH1 ARG A 83 12.981 1.139 -13.307 1.00 0.00 N ATOM 1327 NH2 ARG A 83 12.934 -1.059 -12.649 1.00 0.00 N ATOM 0 H ARG A 83 8.744 -0.078 -9.748 1.00 0.00 H new ATOM 0 HA ARG A 83 11.223 1.178 -10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.446 2.422 -9.961 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.871 3.136 -10.690 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.691 0.489 -11.600 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.236 2.033 -12.293 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.931 1.529 -13.751 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.904 2.301 -12.514 1.00 0.00 H new ATOM 0 HE ARG A 83 10.534 -0.609 -12.179 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.505 2.030 -13.449 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.972 1.049 -13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.421 -1.862 -12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.925 -1.146 -12.873 1.00 0.00 H new ATOM 1341 N LEU A 84 9.478 2.229 -7.438 1.00 0.00 N ATOM 1342 CA LEU A 84 9.586 2.929 -6.163 1.00 0.00 C ATOM 1343 C LEU A 84 10.617 2.259 -5.260 1.00 0.00 C ATOM 1344 O LEU A 84 11.115 2.867 -4.311 1.00 0.00 O ATOM 1345 CB LEU A 84 8.227 2.967 -5.463 1.00 0.00 C ATOM 1346 CG LEU A 84 7.008 3.139 -6.371 1.00 0.00 C ATOM 1347 CD1 LEU A 84 5.738 3.260 -5.543 1.00 0.00 C ATOM 1348 CD2 LEU A 84 7.180 4.356 -7.268 1.00 0.00 C ATOM 0 H LEU A 84 8.551 1.851 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 84 9.913 3.949 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.106 2.043 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.235 3.784 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 84 6.922 2.255 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.882 3.382 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.607 2.359 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.814 4.126 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.304 4.463 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.292 5.249 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.068 4.229 -7.888 1.00 0.00 H new ATOM 1360 N HIS A 85 10.935 1.005 -5.562 1.00 0.00 N ATOM 1361 CA HIS A 85 11.909 0.253 -4.779 1.00 0.00 C ATOM 1362 C HIS A 85 13.318 0.450 -5.331 1.00 0.00 C ATOM 1363 O HIS A 85 14.274 0.618 -4.574 1.00 0.00 O ATOM 1364 CB HIS A 85 11.554 -1.234 -4.775 1.00 0.00 C ATOM 1365 CG HIS A 85 12.697 -2.122 -4.392 1.00 0.00 C ATOM 1366 ND1 HIS A 85 12.930 -2.532 -3.097 1.00 0.00 N ATOM 1367 CD2 HIS A 85 13.675 -2.681 -5.144 1.00 0.00 C ATOM 1368 CE1 HIS A 85 14.003 -3.303 -3.067 1.00 0.00 C ATOM 1369 NE2 HIS A 85 14.473 -3.410 -4.297 1.00 0.00 N ATOM 0 H HIS A 85 10.532 0.488 -6.343 1.00 0.00 H new ATOM 0 HA HIS A 85 11.882 0.628 -3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 85 10.728 -1.400 -4.083 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.201 -1.517 -5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.803 -2.573 -6.211 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.424 -3.767 -2.187 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.295 -3.947 -4.573 1.00 0.00 H new ATOM 1377 N MET A 86 13.438 0.427 -6.655 1.00 0.00 N ATOM 1378 CA MET A 86 14.730 0.603 -7.307 1.00 0.00 C ATOM 1379 C MET A 86 15.441 1.845 -6.779 1.00 0.00 C ATOM 1380 O MET A 86 16.667 1.873 -6.673 1.00 0.00 O ATOM 1381 CB MET A 86 14.550 0.711 -8.823 1.00 0.00 C ATOM 1382 CG MET A 86 14.044 -0.570 -9.467 1.00 0.00 C ATOM 1383 SD MET A 86 15.376 -1.583 -10.138 1.00 0.00 S ATOM 1384 CE MET A 86 16.287 -1.975 -8.646 1.00 0.00 C ATOM 0 H MET A 86 12.657 0.288 -7.296 1.00 0.00 H new ATOM 0 HA MET A 86 15.344 -0.269 -7.082 1.00 0.00 H new ATOM 0 HB2 MET A 86 13.851 1.518 -9.041 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.503 0.984 -9.276 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.489 -1.149 -8.728 1.00 0.00 H new ATOM 0 HG3 MET A 86 13.346 -0.319 -10.266 1.00 0.00 H new ATOM 0 HE1 MET A 86 16.907 -2.854 -8.819 1.00 0.00 H new ATOM 0 HE2 MET A 86 16.921 -1.131 -8.375 1.00 0.00 H new ATOM 0 HE3 MET A 86 15.587 -2.178 -7.835 1.00 0.00 H new ATOM 1394 N VAL A 87 14.663 2.871 -6.449 1.00 0.00 N ATOM 1395 CA VAL A 87 15.219 4.116 -5.931 1.00 0.00 C ATOM 1396 C VAL A 87 16.211 3.848 -4.805 1.00 0.00 C ATOM 1397 O VAL A 87 17.191 4.574 -4.642 1.00 0.00 O ATOM 1398 CB VAL A 87 14.111 5.052 -5.412 1.00 0.00 C ATOM 1399 CG1 VAL A 87 12.990 5.171 -6.434 1.00 0.00 C ATOM 1400 CG2 VAL A 87 13.576 4.556 -4.077 1.00 0.00 C ATOM 0 H VAL A 87 13.646 2.865 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 87 15.736 4.601 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 87 14.539 6.043 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.217 5.836 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 87 13.388 5.576 -7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.562 4.186 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.794 5.229 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.164 3.554 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 87 14.386 4.529 -3.348 1.00 0.00 H new ATOM 1410 N SER A 88 15.950 2.800 -4.030 1.00 0.00 N ATOM 1411 CA SER A 88 16.818 2.438 -2.916 1.00 0.00 C ATOM 1412 C SER A 88 18.185 1.983 -3.419 1.00 0.00 C ATOM 1413 O SER A 88 19.197 2.147 -2.736 1.00 0.00 O ATOM 1414 CB SER A 88 16.175 1.329 -2.080 1.00 0.00 C ATOM 1415 OG SER A 88 15.205 1.858 -1.193 1.00 0.00 O ATOM 0 H SER A 88 15.144 2.187 -4.153 1.00 0.00 H new ATOM 0 HA SER A 88 16.955 3.321 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.709 0.596 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 88 16.944 0.804 -1.513 1.00 0.00 H new ATOM 0 HG SER A 88 14.807 1.130 -0.671 1.00 0.00 H new ATOM 1421 N HIS A 89 18.207 1.410 -4.618 1.00 0.00 N ATOM 1422 CA HIS A 89 19.450 0.931 -5.214 1.00 0.00 C ATOM 1423 C HIS A 89 20.196 2.070 -5.903 1.00 0.00 C ATOM 1424 O HIS A 89 21.368 2.320 -5.620 1.00 0.00 O ATOM 1425 CB HIS A 89 19.161 -0.185 -6.218 1.00 0.00 C ATOM 1426 CG HIS A 89 18.813 -1.493 -5.575 1.00 0.00 C ATOM 1427 ND1 HIS A 89 19.644 -2.139 -4.684 1.00 0.00 N ATOM 1428 CD2 HIS A 89 17.715 -2.274 -5.697 1.00 0.00 C ATOM 1429 CE1 HIS A 89 19.073 -3.262 -4.288 1.00 0.00 C ATOM 1430 NE2 HIS A 89 17.901 -3.367 -4.887 1.00 0.00 N ATOM 0 H HIS A 89 17.379 1.266 -5.196 1.00 0.00 H new ATOM 0 HA HIS A 89 20.080 0.538 -4.416 1.00 0.00 H new ATOM 0 HB2 HIS A 89 18.339 0.123 -6.865 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.034 -0.324 -6.856 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.853 -2.075 -6.316 1.00 0.00 H new ATOM 0 HE1 HIS A 89 19.493 -3.973 -3.593 1.00 0.00 H new ATOM 0 HE2 HIS A 89 17.241 -4.135 -4.767 1.00 0.00 H new ATOM 1438 N THR A 90 19.509 2.758 -6.810 1.00 0.00 N ATOM 1439 CA THR A 90 20.107 3.869 -7.540 1.00 0.00 C ATOM 1440 C THR A 90 20.405 5.041 -6.612 1.00 0.00 C ATOM 1441 O THR A 90 21.447 5.685 -6.724 1.00 0.00 O ATOM 1442 CB THR A 90 19.189 4.352 -8.679 1.00 0.00 C ATOM 1443 OG1 THR A 90 19.777 5.478 -9.338 1.00 0.00 O ATOM 1444 CG2 THR A 90 17.816 4.731 -8.143 1.00 0.00 C ATOM 0 H THR A 90 18.538 2.565 -7.056 1.00 0.00 H new ATOM 0 HA THR A 90 21.040 3.500 -7.966 1.00 0.00 H new ATOM 0 HB THR A 90 19.071 3.536 -9.392 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.188 5.778 -10.062 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.185 5.069 -8.965 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.359 3.863 -7.668 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.919 5.533 -7.412 1.00 0.00 H new ATOM 1452 N GLY A 91 19.483 5.311 -5.693 1.00 0.00 N ATOM 1453 CA GLY A 91 19.667 6.406 -4.757 1.00 0.00 C ATOM 1454 C GLY A 91 18.387 7.179 -4.510 1.00 0.00 C ATOM 1455 O GLY A 91 17.857 7.175 -3.400 1.00 0.00 O ATOM 0 H GLY A 91 18.612 4.792 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 91 20.038 6.012 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 91 20.429 7.084 -5.141 1.00 0.00 H new ATOM 1505 N TYR A 95 12.496 12.704 -10.611 1.00 0.00 N ATOM 1506 CA TYR A 95 11.535 13.784 -10.424 1.00 0.00 C ATOM 1507 C TYR A 95 10.989 13.787 -8.999 1.00 0.00 C ATOM 1508 O TYR A 95 10.897 12.742 -8.355 1.00 0.00 O ATOM 1509 CB TYR A 95 10.385 13.651 -11.423 1.00 0.00 C ATOM 1510 CG TYR A 95 10.833 13.664 -12.867 1.00 0.00 C ATOM 1511 CD1 TYR A 95 10.996 14.861 -13.553 1.00 0.00 C ATOM 1512 CD2 TYR A 95 11.092 12.480 -13.546 1.00 0.00 C ATOM 1513 CE1 TYR A 95 11.404 14.879 -14.873 1.00 0.00 C ATOM 1514 CE2 TYR A 95 11.502 12.488 -14.865 1.00 0.00 C ATOM 1515 CZ TYR A 95 11.656 13.689 -15.524 1.00 0.00 C ATOM 1516 OH TYR A 95 12.063 13.701 -16.838 1.00 0.00 O ATOM 0 HA TYR A 95 12.050 14.729 -10.598 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.849 12.722 -11.226 1.00 0.00 H new ATOM 0 HB3 TYR A 95 9.680 14.466 -11.263 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.800 15.794 -13.046 1.00 0.00 H new ATOM 0 HD2 TYR A 95 10.971 11.537 -13.034 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.525 15.819 -15.392 1.00 0.00 H new ATOM 0 HE2 TYR A 95 11.701 11.558 -15.377 1.00 0.00 H new ATOM 0 HH TYR A 95 12.199 12.781 -17.147 1.00 0.00 H new ATOM 1526 N LYS A 96 10.626 14.969 -8.514 1.00 0.00 N ATOM 1527 CA LYS A 96 10.086 15.111 -7.167 1.00 0.00 C ATOM 1528 C LYS A 96 9.173 16.329 -7.072 1.00 0.00 C ATOM 1529 O LYS A 96 9.388 17.333 -7.752 1.00 0.00 O ATOM 1530 CB LYS A 96 11.223 15.231 -6.149 1.00 0.00 C ATOM 1531 CG LYS A 96 11.649 13.901 -5.553 1.00 0.00 C ATOM 1532 CD LYS A 96 13.088 13.943 -5.067 1.00 0.00 C ATOM 1533 CE LYS A 96 14.063 13.604 -6.184 1.00 0.00 C ATOM 1534 NZ LYS A 96 14.039 14.622 -7.270 1.00 0.00 N ATOM 0 H LYS A 96 10.696 15.844 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 96 9.499 14.221 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.083 15.696 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.910 15.897 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.991 13.646 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.539 13.115 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.312 14.935 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.216 13.239 -4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.071 13.532 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.816 12.626 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.893 14.525 -7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.195 14.479 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.012 15.574 -6.853 1.00 0.00 H new ATOM 1548 N CYS A 97 8.155 16.235 -6.223 1.00 0.00 N ATOM 1549 CA CYS A 97 7.210 17.330 -6.037 1.00 0.00 C ATOM 1550 C CYS A 97 7.781 18.388 -5.098 1.00 0.00 C ATOM 1551 O CYS A 97 8.914 18.272 -4.631 1.00 0.00 O ATOM 1552 CB CYS A 97 5.887 16.800 -5.482 1.00 0.00 C ATOM 1553 SG CYS A 97 4.428 17.769 -5.986 1.00 0.00 S ATOM 0 H CYS A 97 7.963 15.411 -5.653 1.00 0.00 H new ATOM 0 HA CYS A 97 7.030 17.791 -7.008 1.00 0.00 H new ATOM 0 HB2 CYS A 97 5.755 15.768 -5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.942 16.785 -4.393 1.00 0.00 H new ATOM 0 HG CYS A 97 4.635 18.287 -7.160 1.00 0.00 H new ATOM 1558 N SER A 98 6.988 19.420 -4.826 1.00 0.00 N ATOM 1559 CA SER A 98 7.415 20.501 -3.945 1.00 0.00 C ATOM 1560 C SER A 98 6.510 20.594 -2.721 1.00 0.00 C ATOM 1561 O SER A 98 6.985 20.707 -1.591 1.00 0.00 O ATOM 1562 CB SER A 98 7.412 21.832 -4.699 1.00 0.00 C ATOM 1563 OG SER A 98 8.225 22.791 -4.045 1.00 0.00 O ATOM 0 H SER A 98 6.047 19.530 -5.203 1.00 0.00 H new ATOM 0 HA SER A 98 8.429 20.284 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.773 21.678 -5.716 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.392 22.208 -4.776 1.00 0.00 H new ATOM 0 HG SER A 98 8.207 23.632 -4.548 1.00 0.00 H new ATOM 1569 N SER A 99 5.202 20.546 -2.955 1.00 0.00 N ATOM 1570 CA SER A 99 4.228 20.629 -1.873 1.00 0.00 C ATOM 1571 C SER A 99 4.275 19.376 -1.003 1.00 0.00 C ATOM 1572 O SER A 99 4.436 19.457 0.215 1.00 0.00 O ATOM 1573 CB SER A 99 2.820 20.819 -2.439 1.00 0.00 C ATOM 1574 OG SER A 99 1.974 21.458 -1.499 1.00 0.00 O ATOM 0 H SER A 99 4.793 20.450 -3.884 1.00 0.00 H new ATOM 0 HA SER A 99 4.481 21.490 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.869 21.413 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.400 19.851 -2.711 1.00 0.00 H new ATOM 0 HG SER A 99 1.080 21.569 -1.886 1.00 0.00 H new ATOM 1580 N CYS A 100 4.132 18.218 -1.638 1.00 0.00 N ATOM 1581 CA CYS A 100 4.157 16.946 -0.925 1.00 0.00 C ATOM 1582 C CYS A 100 5.560 16.348 -0.929 1.00 0.00 C ATOM 1583 O CYS A 100 5.893 15.514 -0.087 1.00 0.00 O ATOM 1584 CB CYS A 100 3.169 15.964 -1.558 1.00 0.00 C ATOM 1585 SG CYS A 100 3.584 15.491 -3.268 1.00 0.00 S ATOM 0 H CYS A 100 3.997 18.134 -2.646 1.00 0.00 H new ATOM 0 HA CYS A 100 3.864 17.131 0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 100 3.124 15.064 -0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 100 2.174 16.408 -1.546 1.00 0.00 H new ATOM 0 HG CYS A 100 3.746 16.562 -3.987 1.00 0.00 H new ATOM 1590 N SER A 101 6.379 16.779 -1.883 1.00 0.00 N ATOM 1591 CA SER A 101 7.746 16.284 -1.999 1.00 0.00 C ATOM 1592 C SER A 101 7.759 14.829 -2.460 1.00 0.00 C ATOM 1593 O SER A 101 8.684 14.079 -2.153 1.00 0.00 O ATOM 1594 CB SER A 101 8.473 16.412 -0.659 1.00 0.00 C ATOM 1595 OG SER A 101 8.339 17.720 -0.130 1.00 0.00 O ATOM 0 H SER A 101 6.120 17.470 -2.587 1.00 0.00 H new ATOM 0 HA SER A 101 8.263 16.889 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.070 15.687 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.529 16.176 -0.790 1.00 0.00 H new ATOM 0 HG SER A 101 8.811 17.776 0.727 1.00 0.00 H new ATOM 1601 N GLN A 102 6.725 14.441 -3.200 1.00 0.00 N ATOM 1602 CA GLN A 102 6.617 13.076 -3.703 1.00 0.00 C ATOM 1603 C GLN A 102 7.760 12.758 -4.662 1.00 0.00 C ATOM 1604 O GLN A 102 8.660 13.573 -4.861 1.00 0.00 O ATOM 1605 CB GLN A 102 5.274 12.875 -4.407 1.00 0.00 C ATOM 1606 CG GLN A 102 4.210 12.250 -3.520 1.00 0.00 C ATOM 1607 CD GLN A 102 3.024 11.731 -4.309 1.00 0.00 C ATOM 1608 OE1 GLN A 102 1.871 11.961 -3.942 1.00 0.00 O ATOM 1609 NE2 GLN A 102 3.300 11.025 -5.399 1.00 0.00 N ATOM 0 H GLN A 102 5.951 15.051 -3.464 1.00 0.00 H new ATOM 0 HA GLN A 102 6.679 12.396 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.914 13.839 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.423 12.243 -5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.651 11.430 -2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.865 12.989 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.270 10.858 -5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.542 10.649 -5.969 1.00 0.00 H new ATOM 1618 N GLN A 103 7.716 11.568 -5.252 1.00 0.00 N ATOM 1619 CA GLN A 103 8.749 11.142 -6.189 1.00 0.00 C ATOM 1620 C GLN A 103 8.132 10.462 -7.407 1.00 0.00 C ATOM 1621 O GLN A 103 7.053 9.877 -7.324 1.00 0.00 O ATOM 1622 CB GLN A 103 9.730 10.190 -5.502 1.00 0.00 C ATOM 1623 CG GLN A 103 10.368 10.773 -4.251 1.00 0.00 C ATOM 1624 CD GLN A 103 11.274 9.785 -3.543 1.00 0.00 C ATOM 1625 OE1 GLN A 103 10.992 9.358 -2.424 1.00 0.00 O ATOM 1626 NE2 GLN A 103 12.371 9.416 -4.195 1.00 0.00 N ATOM 0 H GLN A 103 6.977 10.882 -5.098 1.00 0.00 H new ATOM 0 HA GLN A 103 9.288 12.028 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.207 9.271 -5.238 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.515 9.919 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 103 10.943 11.659 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.585 11.097 -3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 103 12.565 9.795 -5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 103 13.019 8.753 -3.769 1.00 0.00 H new ATOM 1635 N PHE A 104 8.825 10.545 -8.538 1.00 0.00 N ATOM 1636 CA PHE A 104 8.345 9.939 -9.775 1.00 0.00 C ATOM 1637 C PHE A 104 9.512 9.507 -10.658 1.00 0.00 C ATOM 1638 O PHE A 104 10.635 9.984 -10.497 1.00 0.00 O ATOM 1639 CB PHE A 104 7.451 10.921 -10.535 1.00 0.00 C ATOM 1640 CG PHE A 104 6.417 11.584 -9.671 1.00 0.00 C ATOM 1641 CD1 PHE A 104 6.782 12.558 -8.755 1.00 0.00 C ATOM 1642 CD2 PHE A 104 5.081 11.233 -9.774 1.00 0.00 C ATOM 1643 CE1 PHE A 104 5.832 13.169 -7.958 1.00 0.00 C ATOM 1644 CE2 PHE A 104 4.127 11.841 -8.979 1.00 0.00 C ATOM 1645 CZ PHE A 104 4.503 12.811 -8.071 1.00 0.00 C ATOM 0 H PHE A 104 9.720 11.026 -8.624 1.00 0.00 H new ATOM 0 HA PHE A 104 7.763 9.055 -9.515 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.075 11.688 -10.994 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.950 10.391 -11.345 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.820 12.843 -8.663 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.781 10.476 -10.483 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.129 13.926 -7.247 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.089 11.557 -9.068 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.759 13.289 -7.450 1.00 0.00 H new ATOM 1655 N MET A 105 9.237 8.601 -11.590 1.00 0.00 N ATOM 1656 CA MET A 105 10.263 8.105 -12.500 1.00 0.00 C ATOM 1657 C MET A 105 10.213 8.845 -13.833 1.00 0.00 C ATOM 1658 O MET A 105 11.220 8.950 -14.532 1.00 0.00 O ATOM 1659 CB MET A 105 10.087 6.603 -12.731 1.00 0.00 C ATOM 1660 CG MET A 105 10.756 5.743 -11.670 1.00 0.00 C ATOM 1661 SD MET A 105 12.536 6.016 -11.576 1.00 0.00 S ATOM 1662 CE MET A 105 12.871 5.485 -9.898 1.00 0.00 C ATOM 0 H MET A 105 8.313 8.195 -11.735 1.00 0.00 H new ATOM 0 HA MET A 105 11.236 8.284 -12.042 1.00 0.00 H new ATOM 0 HB2 MET A 105 9.023 6.370 -12.758 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.495 6.344 -13.708 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.308 5.956 -10.699 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.564 4.692 -11.886 1.00 0.00 H new ATOM 0 HE1 MET A 105 13.851 5.850 -9.590 1.00 0.00 H new ATOM 0 HE2 MET A 105 12.108 5.886 -9.230 1.00 0.00 H new ATOM 0 HE3 MET A 105 12.858 4.396 -9.851 1.00 0.00 H new ATOM 1672 N GLN A 106 9.035 9.357 -14.176 1.00 0.00 N ATOM 1673 CA GLN A 106 8.855 10.086 -15.426 1.00 0.00 C ATOM 1674 C GLN A 106 8.331 11.494 -15.163 1.00 0.00 C ATOM 1675 O GLN A 106 7.647 11.739 -14.169 1.00 0.00 O ATOM 1676 CB GLN A 106 7.892 9.334 -16.346 1.00 0.00 C ATOM 1677 CG GLN A 106 8.130 7.833 -16.379 1.00 0.00 C ATOM 1678 CD GLN A 106 7.760 7.213 -17.713 1.00 0.00 C ATOM 1679 OE1 GLN A 106 6.855 7.686 -18.400 1.00 0.00 O ATOM 1680 NE2 GLN A 106 8.460 6.148 -18.085 1.00 0.00 N ATOM 0 H GLN A 106 8.192 9.281 -13.607 1.00 0.00 H new ATOM 0 HA GLN A 106 9.826 10.164 -15.915 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.869 9.524 -16.021 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.984 9.731 -17.357 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.180 7.631 -16.167 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.548 7.359 -15.588 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.202 5.790 -17.484 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.256 5.688 -18.972 1.00 0.00 H new ATOM 1689 N LYS A 107 8.657 12.418 -16.061 1.00 0.00 N ATOM 1690 CA LYS A 107 8.219 13.802 -15.929 1.00 0.00 C ATOM 1691 C LYS A 107 6.701 13.905 -16.032 1.00 0.00 C ATOM 1692 O LYS A 107 6.053 14.539 -15.198 1.00 0.00 O ATOM 1693 CB LYS A 107 8.874 14.671 -17.005 1.00 0.00 C ATOM 1694 CG LYS A 107 8.639 16.159 -16.811 1.00 0.00 C ATOM 1695 CD LYS A 107 9.137 16.962 -18.001 1.00 0.00 C ATOM 1696 CE LYS A 107 9.430 18.404 -17.617 1.00 0.00 C ATOM 1697 NZ LYS A 107 10.815 18.568 -17.093 1.00 0.00 N ATOM 0 H LYS A 107 9.224 12.233 -16.889 1.00 0.00 H new ATOM 0 HA LYS A 107 8.524 14.161 -14.946 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.947 14.479 -17.012 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.491 14.375 -17.982 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.575 16.344 -16.666 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.147 16.494 -15.907 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.040 16.500 -18.401 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.390 16.940 -18.794 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.292 19.047 -18.487 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.715 18.731 -16.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.976 19.565 -16.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.939 17.974 -16.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.498 18.280 -17.822 1.00 0.00 H new ATOM 1711 N LYS A 108 6.138 13.277 -17.059 1.00 0.00 N ATOM 1712 CA LYS A 108 4.696 13.295 -17.270 1.00 0.00 C ATOM 1713 C LYS A 108 3.961 12.728 -16.060 1.00 0.00 C ATOM 1714 O LYS A 108 2.812 13.082 -15.797 1.00 0.00 O ATOM 1715 CB LYS A 108 4.333 12.494 -18.523 1.00 0.00 C ATOM 1716 CG LYS A 108 4.602 11.005 -18.391 1.00 0.00 C ATOM 1717 CD LYS A 108 4.379 10.279 -19.707 1.00 0.00 C ATOM 1718 CE LYS A 108 2.898 10.079 -19.989 1.00 0.00 C ATOM 1719 NZ LYS A 108 2.365 8.861 -19.318 1.00 0.00 N ATOM 0 H LYS A 108 6.660 12.749 -17.759 1.00 0.00 H new ATOM 0 HA LYS A 108 4.387 14.331 -17.407 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.277 12.646 -18.748 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.898 12.883 -19.370 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.628 10.848 -18.057 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.950 10.583 -17.627 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.831 10.848 -20.519 1.00 0.00 H new ATOM 0 HD3 LYS A 108 4.879 9.311 -19.679 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.342 10.953 -19.649 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.741 9.999 -21.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.353 8.760 -19.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.878 8.023 -19.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.492 8.948 -18.289 1.00 0.00 H new ATOM 1733 N ASP A 109 4.632 11.846 -15.326 1.00 0.00 N ATOM 1734 CA ASP A 109 4.044 11.232 -14.142 1.00 0.00 C ATOM 1735 C ASP A 109 3.880 12.256 -13.023 1.00 0.00 C ATOM 1736 O ASP A 109 2.945 12.175 -12.226 1.00 0.00 O ATOM 1737 CB ASP A 109 4.911 10.067 -13.661 1.00 0.00 C ATOM 1738 CG ASP A 109 4.393 8.724 -14.137 1.00 0.00 C ATOM 1739 OD1 ASP A 109 4.184 8.568 -15.358 1.00 0.00 O ATOM 1740 OD2 ASP A 109 4.198 7.830 -13.288 1.00 0.00 O ATOM 0 H ASP A 109 5.583 11.541 -15.531 1.00 0.00 H new ATOM 0 HA ASP A 109 3.058 10.854 -14.411 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.932 10.206 -14.017 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.950 10.073 -12.572 1.00 0.00 H new ATOM 1745 N LEU A 110 4.794 13.217 -12.970 1.00 0.00 N ATOM 1746 CA LEU A 110 4.752 14.257 -11.947 1.00 0.00 C ATOM 1747 C LEU A 110 3.751 15.346 -12.320 1.00 0.00 C ATOM 1748 O LEU A 110 2.915 15.737 -11.506 1.00 0.00 O ATOM 1749 CB LEU A 110 6.141 14.870 -11.757 1.00 0.00 C ATOM 1750 CG LEU A 110 6.188 16.215 -11.032 1.00 0.00 C ATOM 1751 CD1 LEU A 110 5.617 16.085 -9.628 1.00 0.00 C ATOM 1752 CD2 LEU A 110 7.613 16.745 -10.982 1.00 0.00 C ATOM 0 H LEU A 110 5.574 13.299 -13.623 1.00 0.00 H new ATOM 0 HA LEU A 110 4.432 13.799 -11.011 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.757 14.160 -11.204 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.599 14.993 -12.738 1.00 0.00 H new ATOM 0 HG LEU A 110 5.576 16.926 -11.587 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.659 17.052 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.581 15.751 -9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.201 15.359 -9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.627 17.703 -10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.247 16.035 -10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.988 16.877 -11.997 1.00 0.00 H new ATOM 1764 N GLN A 111 3.841 15.829 -13.555 1.00 0.00 N ATOM 1765 CA GLN A 111 2.942 16.872 -14.035 1.00 0.00 C ATOM 1766 C GLN A 111 1.486 16.495 -13.780 1.00 0.00 C ATOM 1767 O GLN A 111 0.728 17.268 -13.196 1.00 0.00 O ATOM 1768 CB GLN A 111 3.163 17.118 -15.528 1.00 0.00 C ATOM 1769 CG GLN A 111 4.510 17.747 -15.848 1.00 0.00 C ATOM 1770 CD GLN A 111 4.466 18.621 -17.085 1.00 0.00 C ATOM 1771 OE1 GLN A 111 3.421 19.170 -17.435 1.00 0.00 O ATOM 1772 NE2 GLN A 111 5.605 18.756 -17.755 1.00 0.00 N ATOM 0 H GLN A 111 4.527 15.515 -14.241 1.00 0.00 H new ATOM 0 HA GLN A 111 3.163 17.788 -13.487 1.00 0.00 H new ATOM 0 HB2 GLN A 111 3.078 16.171 -16.060 1.00 0.00 H new ATOM 0 HB3 GLN A 111 2.371 17.766 -15.902 1.00 0.00 H new ATOM 0 HG2 GLN A 111 4.839 18.344 -14.997 1.00 0.00 H new ATOM 0 HG3 GLN A 111 5.250 16.959 -15.990 1.00 0.00 H new ATOM 0 HE21 GLN A 111 6.448 18.283 -17.429 1.00 0.00 H new ATOM 0 HE22 GLN A 111 5.637 19.333 -18.596 1.00 0.00 H new ATOM 1781 N SER A 112 1.103 15.301 -14.222 1.00 0.00 N ATOM 1782 CA SER A 112 -0.263 14.823 -14.046 1.00 0.00 C ATOM 1783 C SER A 112 -0.614 14.715 -12.565 1.00 0.00 C ATOM 1784 O SER A 112 -1.744 14.989 -12.161 1.00 0.00 O ATOM 1785 CB SER A 112 -0.442 13.464 -14.724 1.00 0.00 C ATOM 1786 OG SER A 112 -1.802 13.228 -15.044 1.00 0.00 O ATOM 0 H SER A 112 1.720 14.647 -14.704 1.00 0.00 H new ATOM 0 HA SER A 112 -0.936 15.544 -14.510 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.160 13.425 -15.632 1.00 0.00 H new ATOM 0 HB3 SER A 112 -0.078 12.675 -14.066 1.00 0.00 H new ATOM 0 HG SER A 112 -1.889 12.354 -15.478 1.00 0.00 H new ATOM 1792 N HIS A 113 0.365 14.313 -11.759 1.00 0.00 N ATOM 1793 CA HIS A 113 0.161 14.169 -10.322 1.00 0.00 C ATOM 1794 C HIS A 113 -0.169 15.514 -9.682 1.00 0.00 C ATOM 1795 O HIS A 113 -1.019 15.599 -8.797 1.00 0.00 O ATOM 1796 CB HIS A 113 1.406 13.571 -9.667 1.00 0.00 C ATOM 1797 CG HIS A 113 1.637 14.053 -8.268 1.00 0.00 C ATOM 1798 ND1 HIS A 113 2.266 15.158 -7.805 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 1.199 13.368 -7.154 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 2.196 15.123 -6.434 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 1.547 14.033 -6.066 1.00 0.00 N flip ATOM 0 H HIS A 113 1.306 14.082 -12.077 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.682 13.496 -10.165 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.315 12.485 -9.658 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.278 13.813 -10.275 1.00 0.00 H new ATOM 0 HD2 HIS A 113 0.657 12.434 -7.168 1.00 0.00 H new ATOM 0 HE1 HIS A 113 2.605 15.866 -5.765 1.00 0.00 H new ATOM 0 HE2 HIS A 113 1.348 13.752 -5.106 1.00 0.00 H new ATOM 1809 N MET A 114 0.511 16.562 -10.136 1.00 0.00 N ATOM 1810 CA MET A 114 0.289 17.903 -9.607 1.00 0.00 C ATOM 1811 C MET A 114 -1.008 18.494 -10.150 1.00 0.00 C ATOM 1812 O MET A 114 -1.628 19.345 -9.512 1.00 0.00 O ATOM 1813 CB MET A 114 1.465 18.815 -9.961 1.00 0.00 C ATOM 1814 CG MET A 114 2.793 18.341 -9.392 1.00 0.00 C ATOM 1815 SD MET A 114 3.994 19.676 -9.226 1.00 0.00 S ATOM 1816 CE MET A 114 3.313 20.573 -7.833 1.00 0.00 C ATOM 0 H MET A 114 1.219 16.509 -10.868 1.00 0.00 H new ATOM 0 HA MET A 114 0.208 17.830 -8.522 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.547 18.884 -11.046 1.00 0.00 H new ATOM 0 HB3 MET A 114 1.259 19.820 -9.593 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.624 17.886 -8.416 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.205 17.566 -10.038 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.147 21.613 -8.116 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.366 20.122 -7.537 1.00 0.00 H new ATOM 0 HE3 MET A 114 4.011 20.531 -6.997 1.00 0.00 H new ATOM 1826 N ILE A 115 -1.412 18.037 -11.331 1.00 0.00 N ATOM 1827 CA ILE A 115 -2.636 18.521 -11.958 1.00 0.00 C ATOM 1828 C ILE A 115 -3.863 17.831 -11.373 1.00 0.00 C ATOM 1829 O ILE A 115 -4.959 18.392 -11.363 1.00 0.00 O ATOM 1830 CB ILE A 115 -2.614 18.298 -13.482 1.00 0.00 C ATOM 1831 CG1 ILE A 115 -1.467 19.087 -14.118 1.00 0.00 C ATOM 1832 CG2 ILE A 115 -3.946 18.701 -14.096 1.00 0.00 C ATOM 1833 CD1 ILE A 115 -0.898 18.434 -15.358 1.00 0.00 C ATOM 0 H ILE A 115 -0.910 17.333 -11.872 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.692 19.591 -11.756 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.453 17.238 -13.677 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.822 20.086 -14.373 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.671 19.210 -13.384 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.914 18.538 -15.173 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.744 18.099 -13.661 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.135 19.755 -13.894 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.090 19.048 -15.754 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.512 17.446 -15.105 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.681 18.336 -16.110 1.00 0.00 H new ATOM 1845 N LYS A 116 -3.672 16.610 -10.884 1.00 0.00 N ATOM 1846 CA LYS A 116 -4.762 15.843 -10.292 1.00 0.00 C ATOM 1847 C LYS A 116 -4.865 16.110 -8.794 1.00 0.00 C ATOM 1848 O LYS A 116 -5.898 16.569 -8.305 1.00 0.00 O ATOM 1849 CB LYS A 116 -4.554 14.348 -10.542 1.00 0.00 C ATOM 1850 CG LYS A 116 -5.109 13.870 -11.873 1.00 0.00 C ATOM 1851 CD LYS A 116 -4.163 14.188 -13.018 1.00 0.00 C ATOM 1852 CE LYS A 116 -4.852 14.044 -14.367 1.00 0.00 C ATOM 1853 NZ LYS A 116 -4.271 14.958 -15.388 1.00 0.00 N ATOM 0 H LYS A 116 -2.772 16.130 -10.886 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.693 16.158 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -3.487 14.127 -10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -5.027 13.785 -9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -5.282 12.795 -11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -6.075 14.341 -12.056 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.785 15.205 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.301 13.522 -12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.765 13.013 -14.711 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.916 14.254 -14.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.832 14.903 -16.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -4.285 15.934 -15.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -3.290 14.676 -15.588 1.00 0.00 H new ATOM 1867 N LEU A 117 -3.789 15.821 -8.071 1.00 0.00 N ATOM 1868 CA LEU A 117 -3.758 16.031 -6.628 1.00 0.00 C ATOM 1869 C LEU A 117 -3.657 17.516 -6.296 1.00 0.00 C ATOM 1870 O LEU A 117 -4.455 18.046 -5.522 1.00 0.00 O ATOM 1871 CB LEU A 117 -2.580 15.277 -6.008 1.00 0.00 C ATOM 1872 CG LEU A 117 -2.432 13.810 -6.416 1.00 0.00 C ATOM 1873 CD1 LEU A 117 -1.586 13.057 -5.401 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -3.799 13.158 -6.562 1.00 0.00 C ATOM 0 H LEU A 117 -2.926 15.441 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.688 15.646 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.661 15.801 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.675 15.324 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.927 13.769 -7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.491 12.015 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.596 13.510 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.063 13.105 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.675 12.115 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.330 13.209 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.372 13.682 -7.327 1.00 0.00 H new ATOM 1886 N HIS A 118 -2.671 18.184 -6.887 1.00 0.00 N ATOM 1887 CA HIS A 118 -2.468 19.610 -6.657 1.00 0.00 C ATOM 1888 C HIS A 118 -3.161 20.439 -7.733 1.00 0.00 C ATOM 1889 O HIS A 118 -2.635 21.457 -8.182 1.00 0.00 O ATOM 1890 CB HIS A 118 -0.974 19.935 -6.629 1.00 0.00 C ATOM 1891 CG HIS A 118 -0.208 19.148 -5.611 1.00 0.00 C ATOM 1892 ND1 HIS A 118 -0.493 19.184 -4.262 1.00 0.00 N ATOM 1893 CD2 HIS A 118 0.837 18.300 -5.750 1.00 0.00 C ATOM 1894 CE1 HIS A 118 0.345 18.393 -3.616 1.00 0.00 C ATOM 1895 NE2 HIS A 118 1.162 17.844 -4.496 1.00 0.00 N ATOM 0 H HIS A 118 -2.000 17.761 -7.528 1.00 0.00 H new ATOM 0 HA HIS A 118 -2.906 19.863 -5.691 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -0.551 19.746 -7.616 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.846 20.998 -6.426 1.00 0.00 H new ATOM 0 HD2 HIS A 118 1.325 18.032 -6.675 1.00 0.00 H new ATOM 0 HE1 HIS A 118 0.359 18.224 -2.549 1.00 0.00 H new ATOM 0 HE2 HIS A 118 1.912 17.188 -4.280 1.00 0.00 H new