USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 914 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 11 TYR OH : rot 31:sc= 0.518 USER MOD Set 1.2: A 106 THR OG1 : rot 76:sc= 1.46 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.11 K(o=1.8,f=-1.2) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -110:sc= 0.654 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 130:sc= 0.743 USER MOD Set 3.2: A 74 LYS NZ :NH3+ 149:sc= 0.85 (180deg=0.0365) USER MOD Set 4.1: A 42 CYS SG : rot -120:sc= -0.44 USER MOD Set 4.2: A 62 CYS SG : rot 180:sc= 0.00372 USER MOD Set 5.1: A 14 GLN : amide:sc= 0.527 X(o=0.88,f=0.89) USER MOD Set 5.2: A 98 GLN : amide:sc= 0.349 X(o=0.88,f=0.89) USER MOD Single : A 3 GLN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 6 SER OG : rot 47:sc= 0.941 USER MOD Single : A 7 GLN : amide:sc= 0.212 X(o=0.21,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.9 K(o=0.9,f=-3.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 9:sc= 0.158 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0.83 (180deg=0.575) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00155) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 50 THR OG1 : rot 69:sc= 0.4 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0906 X(o=-0.091,f=-0.091) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0361 F(o=-0.71,f=-0.036) USER MOD Single : A 69 THR OG1 : rot 74:sc= 1.16 USER MOD Single : A 78 THR OG1 : rot -104:sc= 0.317 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 76:sc= 0.168 USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 1.03 (180deg=0.838) USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 0.292 (180deg=0.282) USER MOD Single : A 96 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.3!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 111 LYS NZ :NH3+ -113:sc= 0.182 (180deg=-0.613) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.061 0.978 1.887 1.00 25.00 N ATOM 44 CA GLY A 2 0.574 1.739 3.026 1.00 25.00 C ATOM 45 C GLY A 2 0.067 3.094 2.598 1.00 25.00 C ATOM 46 O GLY A 2 -0.985 3.535 3.051 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.226 1.188 3.520 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.375 1.861 3.755 1.00 25.00 H new ATOM 50 N GLN A 3 0.785 3.740 1.691 1.00 25.00 N ATOM 51 CA GLN A 3 0.374 5.056 1.193 1.00 25.00 C ATOM 52 C GLN A 3 -0.960 4.961 0.449 1.00 25.00 C ATOM 53 O GLN A 3 -1.799 5.856 0.535 1.00 25.00 O ATOM 54 CB GLN A 3 1.443 5.634 0.264 1.00 25.00 C ATOM 55 CG GLN A 3 2.770 5.918 0.963 1.00 25.00 C ATOM 56 CD GLN A 3 3.749 6.640 0.062 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.524 7.780 -0.319 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.833 5.997 -0.270 1.00 25.00 N ATOM 0 H GLN A 3 1.649 3.383 1.284 1.00 25.00 H new ATOM 0 HA GLN A 3 0.252 5.718 2.050 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.616 4.937 -0.556 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.069 6.558 -0.177 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.588 6.519 1.854 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.211 4.979 1.297 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.986 5.047 0.067 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.529 6.444 -0.867 1.00 25.00 H new ATOM 67 N GLU A 4 -1.162 3.860 -0.254 1.00 25.00 N ATOM 68 CA GLU A 4 -2.407 3.609 -0.980 1.00 25.00 C ATOM 69 C GLU A 4 -3.557 3.387 0.015 1.00 25.00 C ATOM 70 O GLU A 4 -4.663 3.900 -0.160 1.00 25.00 O ATOM 71 CB GLU A 4 -2.193 2.388 -1.896 1.00 25.00 C ATOM 72 CG GLU A 4 -3.417 1.520 -2.175 1.00 25.00 C ATOM 73 CD GLU A 4 -4.462 2.226 -3.010 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.101 2.911 -3.981 1.00 25.00 O ATOM 75 OE2 GLU A 4 -5.663 2.020 -2.742 1.00 25.00 O ATOM 0 H GLU A 4 -0.473 3.113 -0.341 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.678 4.467 -1.596 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.802 2.742 -2.850 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.423 1.758 -1.450 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.102 0.611 -2.688 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.862 1.213 -1.228 1.00 25.00 H new ATOM 82 N LEU A 5 -3.284 2.657 1.085 1.00 25.00 N ATOM 83 CA LEU A 5 -4.308 2.363 2.085 1.00 25.00 C ATOM 84 C LEU A 5 -4.793 3.623 2.806 1.00 25.00 C ATOM 85 O LEU A 5 -5.987 3.760 3.064 1.00 25.00 O ATOM 86 CB LEU A 5 -3.774 1.341 3.092 1.00 25.00 C ATOM 87 CG LEU A 5 -3.625 -0.094 2.552 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.842 -0.938 3.550 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.983 -0.749 2.276 1.00 25.00 C ATOM 0 H LEU A 5 -2.367 2.257 1.286 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.168 1.944 1.563 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.802 1.681 3.450 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.441 1.321 3.954 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.087 -0.037 1.605 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.738 -1.953 3.166 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.854 -0.503 3.698 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.374 -0.963 4.501 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.829 -1.759 1.897 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.561 -0.792 3.199 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.526 -0.162 1.535 1.00 25.00 H new ATOM 101 N SER A 6 -3.899 4.568 3.077 1.00 25.00 N ATOM 102 CA SER A 6 -4.298 5.848 3.682 1.00 25.00 C ATOM 103 C SER A 6 -5.180 6.707 2.768 1.00 25.00 C ATOM 104 O SER A 6 -5.849 7.616 3.243 1.00 25.00 O ATOM 105 CB SER A 6 -3.063 6.663 4.064 1.00 25.00 C ATOM 106 OG SER A 6 -1.937 6.284 3.298 1.00 25.00 O ATOM 0 H SER A 6 -2.900 4.480 2.892 1.00 25.00 H new ATOM 0 HA SER A 6 -4.885 5.588 4.563 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.265 7.724 3.916 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.847 6.525 5.123 1.00 25.00 H new ATOM 0 HG SER A 6 -2.189 6.224 2.353 1.00 25.00 H new ATOM 112 N GLN A 7 -5.186 6.430 1.469 1.00 25.00 N ATOM 113 CA GLN A 7 -6.026 7.185 0.533 1.00 25.00 C ATOM 114 C GLN A 7 -7.407 6.541 0.403 1.00 25.00 C ATOM 115 O GLN A 7 -8.377 7.189 0.014 1.00 25.00 O ATOM 116 CB GLN A 7 -5.355 7.254 -0.842 1.00 25.00 C ATOM 117 CG GLN A 7 -4.064 8.059 -0.836 1.00 25.00 C ATOM 118 CD GLN A 7 -3.355 8.014 -2.168 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.774 8.636 -3.128 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.272 7.287 -2.226 1.00 25.00 N ATOM 0 H GLN A 7 -4.625 5.695 1.038 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.148 8.195 0.924 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.144 6.242 -1.188 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -6.049 7.697 -1.557 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -4.286 9.095 -0.580 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -3.402 7.673 -0.061 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.953 6.780 -1.400 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.745 7.226 -3.097 1.00 25.00 H new ATOM 129 N HIS A 8 -7.508 5.267 0.753 1.00 25.00 N ATOM 130 CA HIS A 8 -8.790 4.564 0.707 1.00 25.00 C ATOM 131 C HIS A 8 -9.605 4.910 1.956 1.00 25.00 C ATOM 132 O HIS A 8 -9.520 4.233 2.968 1.00 25.00 O ATOM 133 CB HIS A 8 -8.560 3.047 0.592 1.00 25.00 C ATOM 134 CG HIS A 8 -9.012 2.476 -0.715 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.176 2.322 -1.823 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.220 2.005 -1.130 1.00 25.00 C ATOM 137 CE1 HIS A 8 -8.875 1.803 -2.821 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.104 1.605 -2.426 1.00 25.00 N ATOM 0 H HIS A 8 -6.724 4.698 1.071 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.351 4.882 -0.172 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.499 2.837 0.725 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -9.088 2.544 1.402 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -7.187 2.569 -1.858 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -11.118 1.957 -0.532 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -8.490 1.579 -3.805 1.00 25.00 H new ATOM 146 N GLU A 9 -10.407 5.961 1.880 1.00 25.00 N ATOM 147 CA GLU A 9 -11.177 6.454 3.036 1.00 25.00 C ATOM 148 C GLU A 9 -11.994 5.379 3.784 1.00 25.00 C ATOM 149 O GLU A 9 -12.074 5.396 5.004 1.00 25.00 O ATOM 150 CB GLU A 9 -12.098 7.599 2.588 1.00 25.00 C ATOM 151 CG GLU A 9 -13.204 7.169 1.615 1.00 25.00 C ATOM 152 CD GLU A 9 -14.065 8.321 1.136 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.751 9.489 1.432 1.00 25.00 O ATOM 154 OE2 GLU A 9 -15.076 8.035 0.459 1.00 25.00 O ATOM 0 H GLU A 9 -10.549 6.500 1.026 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.438 6.802 3.757 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.558 8.047 3.469 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.494 8.373 2.115 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.750 6.681 0.752 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -13.839 6.429 2.102 1.00 25.00 H new ATOM 161 N ARG A 10 -12.556 4.413 3.066 1.00 25.00 N ATOM 162 CA ARG A 10 -13.367 3.358 3.696 1.00 25.00 C ATOM 163 C ARG A 10 -12.526 2.474 4.615 1.00 25.00 C ATOM 164 O ARG A 10 -13.008 1.959 5.621 1.00 25.00 O ATOM 165 CB ARG A 10 -14.035 2.500 2.613 1.00 25.00 C ATOM 166 CG ARG A 10 -14.943 3.292 1.642 1.00 25.00 C ATOM 167 CD ARG A 10 -16.169 3.906 2.337 1.00 25.00 C ATOM 168 NE ARG A 10 -17.078 2.872 2.869 1.00 25.00 N ATOM 169 CZ ARG A 10 -18.067 2.296 2.195 1.00 25.00 C ATOM 170 NH1 ARG A 10 -18.350 2.607 0.952 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.790 1.384 2.785 1.00 25.00 N ATOM 0 H ARG A 10 -12.470 4.332 2.053 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.131 3.841 4.306 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.260 1.995 2.037 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.629 1.724 3.096 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -14.361 4.086 1.174 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.278 2.630 0.844 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.839 4.552 3.151 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -16.710 4.535 1.630 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.935 2.575 3.834 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.801 3.316 0.466 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -19.119 2.139 0.472 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.592 1.122 3.751 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -19.553 0.933 2.280 1.00 25.00 H new ATOM 185 N TYR A 11 -11.256 2.339 4.274 1.00 25.00 N ATOM 186 CA TYR A 11 -10.306 1.580 5.074 1.00 25.00 C ATOM 187 C TYR A 11 -9.849 2.431 6.247 1.00 25.00 C ATOM 188 O TYR A 11 -9.719 1.953 7.377 1.00 25.00 O ATOM 189 CB TYR A 11 -9.107 1.232 4.200 1.00 25.00 C ATOM 190 CG TYR A 11 -8.075 0.389 4.880 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.312 -0.971 5.117 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.839 0.938 5.280 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.337 -1.777 5.723 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.849 0.123 5.890 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.107 -1.232 6.093 1.00 25.00 C ATOM 196 OH TYR A 11 -5.155 -2.037 6.657 1.00 25.00 O ATOM 0 H TYR A 11 -10.852 2.753 3.434 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.771 0.668 5.449 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.459 0.708 3.311 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.639 2.156 3.861 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.258 -1.405 4.829 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.644 1.988 5.121 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.539 -2.822 5.904 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.904 0.549 6.194 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.243 -2.946 6.302 1.00 25.00 H new ATOM 206 N VAL A 12 -9.630 3.707 5.964 1.00 25.00 N ATOM 207 CA VAL A 12 -9.182 4.672 6.964 1.00 25.00 C ATOM 208 C VAL A 12 -10.160 4.729 8.132 1.00 25.00 C ATOM 209 O VAL A 12 -9.722 4.774 9.268 1.00 25.00 O ATOM 210 CB VAL A 12 -8.998 6.088 6.324 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.670 7.156 7.373 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.867 6.055 5.295 1.00 25.00 C ATOM 0 H VAL A 12 -9.757 4.105 5.034 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.215 4.344 7.345 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.944 6.348 5.848 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.551 8.122 6.883 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.481 7.214 8.099 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.744 6.892 7.884 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.746 7.045 4.855 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.939 5.760 5.784 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.109 5.337 4.512 1.00 25.00 H new ATOM 222 N GLU A 13 -11.463 4.672 7.884 1.00 25.00 N ATOM 223 CA GLU A 13 -12.441 4.706 8.985 1.00 25.00 C ATOM 224 C GLU A 13 -12.223 3.580 10.003 1.00 25.00 C ATOM 225 O GLU A 13 -12.198 3.824 11.213 1.00 25.00 O ATOM 226 CB GLU A 13 -13.879 4.625 8.456 1.00 25.00 C ATOM 227 CG GLU A 13 -14.326 5.845 7.650 1.00 25.00 C ATOM 228 CD GLU A 13 -14.092 7.152 8.394 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.375 7.218 9.613 1.00 25.00 O ATOM 230 OE2 GLU A 13 -13.517 8.083 7.789 1.00 25.00 O ATOM 0 H GLU A 13 -11.870 4.603 6.951 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.287 5.660 9.489 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.973 3.737 7.831 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.557 4.494 9.300 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.787 5.868 6.703 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.385 5.751 7.412 1.00 25.00 H new ATOM 237 N GLN A 14 -12.012 2.360 9.531 1.00 25.00 N ATOM 238 CA GLN A 14 -11.752 1.242 10.442 1.00 25.00 C ATOM 239 C GLN A 14 -10.415 1.447 11.133 1.00 25.00 C ATOM 240 O GLN A 14 -10.261 1.171 12.323 1.00 25.00 O ATOM 241 CB GLN A 14 -11.736 -0.094 9.689 1.00 25.00 C ATOM 242 CG GLN A 14 -13.096 -0.495 9.138 1.00 25.00 C ATOM 243 CD GLN A 14 -14.164 -0.522 10.211 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.091 0.265 10.185 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.025 -1.406 11.164 1.00 25.00 N ATOM 0 H GLN A 14 -12.014 2.116 8.541 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.553 1.212 11.181 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.024 -0.030 8.866 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.379 -0.876 10.359 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.389 0.204 8.354 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.023 -1.480 8.676 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.234 -2.050 11.151 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.708 -1.452 11.920 1.00 25.00 H new ATOM 254 N LEU A 15 -9.451 1.969 10.396 1.00 25.00 N ATOM 255 CA LEU A 15 -8.130 2.224 10.948 1.00 25.00 C ATOM 256 C LEU A 15 -8.137 3.320 12.013 1.00 25.00 C ATOM 257 O LEU A 15 -7.348 3.252 12.947 1.00 25.00 O ATOM 258 CB LEU A 15 -7.154 2.576 9.824 1.00 25.00 C ATOM 259 CG LEU A 15 -6.079 1.528 9.490 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.045 1.462 10.604 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.677 0.137 9.249 1.00 25.00 C ATOM 0 H LEU A 15 -9.557 2.225 9.414 1.00 25.00 H new ATOM 0 HA LEU A 15 -7.804 1.309 11.443 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.732 2.771 8.920 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.652 3.507 10.088 1.00 25.00 H new ATOM 0 HG LEU A 15 -5.600 1.843 8.563 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.290 0.717 10.356 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -4.570 2.436 10.717 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.534 1.186 11.538 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.878 -0.567 9.017 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -7.203 -0.193 10.145 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.376 0.181 8.414 1.00 25.00 H new ATOM 273 N LYS A 16 -9.055 4.282 11.936 1.00 25.00 N ATOM 274 CA LYS A 16 -9.157 5.325 12.974 1.00 25.00 C ATOM 275 C LYS A 16 -9.439 4.643 14.292 1.00 25.00 C ATOM 276 O LYS A 16 -8.893 5.009 15.331 1.00 25.00 O ATOM 277 CB LYS A 16 -10.313 6.309 12.719 1.00 25.00 C ATOM 278 CG LYS A 16 -10.179 7.221 11.509 1.00 25.00 C ATOM 279 CD LYS A 16 -11.382 8.151 11.437 1.00 25.00 C ATOM 280 CE LYS A 16 -11.597 8.699 10.036 1.00 25.00 C ATOM 281 NZ LYS A 16 -10.549 9.619 9.518 1.00 25.00 N ATOM 0 H LYS A 16 -9.734 4.367 11.179 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.222 5.884 12.971 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.232 5.733 12.611 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.430 6.934 13.605 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.260 7.803 11.579 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.111 6.626 10.598 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.275 7.614 11.757 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.242 8.979 12.132 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.682 7.857 9.349 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -12.552 9.224 10.017 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -10.802 9.928 8.558 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -10.477 10.449 10.141 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -9.634 9.125 9.493 1.00 25.00 H new ATOM 295 N GLN A 17 -10.315 3.656 14.242 1.00 25.00 N ATOM 296 CA GLN A 17 -10.706 2.937 15.438 1.00 25.00 C ATOM 297 C GLN A 17 -9.576 2.027 15.893 1.00 25.00 C ATOM 298 O GLN A 17 -9.250 1.997 17.065 1.00 25.00 O ATOM 299 CB GLN A 17 -11.964 2.112 15.173 1.00 25.00 C ATOM 300 CG GLN A 17 -13.143 2.935 14.665 1.00 25.00 C ATOM 301 CD GLN A 17 -14.396 2.104 14.560 1.00 25.00 C ATOM 302 OE1 GLN A 17 -14.908 1.631 15.557 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.876 1.906 13.362 1.00 25.00 N ATOM 0 H GLN A 17 -10.768 3.335 13.386 1.00 25.00 H new ATOM 0 HA GLN A 17 -10.919 3.660 16.225 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -11.732 1.337 14.442 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.256 1.606 16.093 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.318 3.775 15.338 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -12.901 3.354 13.688 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.415 2.322 12.553 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.712 1.336 13.235 1.00 25.00 H new ATOM 312 N ALA A 18 -8.969 1.304 14.964 1.00 25.00 N ATOM 313 CA ALA A 18 -7.904 0.359 15.299 1.00 25.00 C ATOM 314 C ALA A 18 -6.666 1.046 15.914 1.00 25.00 C ATOM 315 O ALA A 18 -6.102 0.560 16.898 1.00 25.00 O ATOM 316 CB ALA A 18 -7.520 -0.433 14.050 1.00 25.00 C ATOM 0 H ALA A 18 -9.193 1.351 13.970 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.288 -0.317 16.063 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.726 -1.138 14.296 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.390 -0.979 13.684 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.170 0.252 13.278 1.00 25.00 H new ATOM 322 N LEU A 19 -6.270 2.188 15.363 1.00 25.00 N ATOM 323 CA LEU A 19 -5.146 2.958 15.911 1.00 25.00 C ATOM 324 C LEU A 19 -5.499 3.401 17.335 1.00 25.00 C ATOM 325 O LEU A 19 -4.666 3.362 18.241 1.00 25.00 O ATOM 326 CB LEU A 19 -4.858 4.199 15.037 1.00 25.00 C ATOM 327 CG LEU A 19 -3.872 4.025 13.857 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.302 4.822 12.631 1.00 25.00 C ATOM 329 CD2 LEU A 19 -2.472 4.494 14.244 1.00 25.00 C ATOM 0 H LEU A 19 -6.705 2.605 14.540 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.254 2.332 15.922 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.806 4.555 14.634 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.472 4.986 15.685 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.870 2.961 13.618 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.581 4.670 11.827 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -5.286 4.485 12.305 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -4.347 5.881 12.883 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -1.797 4.362 13.398 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -2.505 5.548 14.521 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.113 3.908 15.090 1.00 25.00 H new ATOM 341 N LYS A 20 -6.748 3.808 17.530 1.00 25.00 N ATOM 342 CA LYS A 20 -7.213 4.285 18.835 1.00 25.00 C ATOM 343 C LYS A 20 -7.307 3.170 19.877 1.00 25.00 C ATOM 344 O LYS A 20 -6.942 3.378 21.026 1.00 25.00 O ATOM 345 CB LYS A 20 -8.582 4.961 18.681 1.00 25.00 C ATOM 346 CG LYS A 20 -9.057 5.705 19.935 1.00 25.00 C ATOM 347 CD LYS A 20 -10.517 6.162 19.821 1.00 25.00 C ATOM 348 CE LYS A 20 -10.713 7.234 18.743 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.130 7.749 18.748 1.00 25.00 N ATOM 0 H LYS A 20 -7.462 3.819 16.801 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.473 5.000 19.195 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.537 5.664 17.850 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.321 4.204 18.418 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.948 5.055 20.803 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.419 6.572 20.104 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.147 5.302 19.593 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.848 6.553 20.783 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.021 8.059 18.915 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.476 6.818 17.764 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.239 8.474 18.010 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.786 6.964 18.561 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.345 8.166 19.676 1.00 25.00 H new ATOM 363 N THR A 21 -7.799 1.999 19.495 1.00 25.00 N ATOM 364 CA THR A 21 -8.006 0.904 20.450 1.00 25.00 C ATOM 365 C THR A 21 -6.709 0.368 21.038 1.00 25.00 C ATOM 366 O THR A 21 -6.711 -0.186 22.131 1.00 25.00 O ATOM 367 CB THR A 21 -8.763 -0.284 19.811 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.212 -0.574 18.525 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.237 0.041 19.628 1.00 25.00 C ATOM 0 H THR A 21 -8.063 1.777 18.535 1.00 25.00 H new ATOM 0 HA THR A 21 -8.601 1.346 21.249 1.00 25.00 H new ATOM 0 HB THR A 21 -8.659 -1.140 20.478 1.00 25.00 H new ATOM 0 HG1 THR A 21 -7.394 -0.050 18.394 1.00 25.00 H new ATOM 0 HG21 THR A 21 -10.744 -0.812 19.177 1.00 25.00 H new ATOM 0 HG22 THR A 21 -10.685 0.258 20.598 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.340 0.910 18.978 1.00 25.00 H new ATOM 377 N ARG A 22 -5.593 0.549 20.343 1.00 25.00 N ATOM 378 CA ARG A 22 -4.304 0.118 20.890 1.00 25.00 C ATOM 379 C ARG A 22 -3.868 1.064 22.018 1.00 25.00 C ATOM 380 O ARG A 22 -3.079 0.686 22.882 1.00 25.00 O ATOM 381 CB ARG A 22 -3.250 0.029 19.772 1.00 25.00 C ATOM 382 CG ARG A 22 -1.854 -0.524 20.191 1.00 25.00 C ATOM 383 CD ARG A 22 -1.886 -1.949 20.776 1.00 25.00 C ATOM 384 NE ARG A 22 -2.210 -1.939 22.214 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.277 -3.004 23.003 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.034 -4.214 22.583 1.00 25.00 N ATOM 387 NH2 ARG A 22 -2.601 -2.834 24.253 1.00 25.00 N ATOM 0 H ARG A 22 -5.548 0.981 19.420 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.408 -0.879 21.317 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -3.645 -0.603 18.977 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.113 1.024 19.349 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -1.197 -0.516 19.321 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -1.416 0.149 20.928 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -2.624 -2.546 20.240 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -0.918 -2.427 20.624 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.400 -1.032 22.641 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -1.779 -4.374 21.608 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.099 -5.001 23.229 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -2.797 -1.897 24.606 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -2.659 -3.637 24.879 1.00 25.00 H new ATOM 401 N GLY A 23 -4.419 2.269 22.040 1.00 25.00 N ATOM 402 CA GLY A 23 -4.137 3.204 23.121 1.00 25.00 C ATOM 403 C GLY A 23 -2.776 3.859 23.013 1.00 25.00 C ATOM 404 O GLY A 23 -2.209 4.286 24.013 1.00 25.00 O ATOM 0 H GLY A 23 -5.059 2.621 21.328 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -4.904 3.978 23.131 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.204 2.677 24.073 1.00 25.00 H new ATOM 408 N VAL A 24 -2.236 3.922 21.805 1.00 25.00 N ATOM 409 CA VAL A 24 -0.895 4.465 21.589 1.00 25.00 C ATOM 410 C VAL A 24 -0.967 5.677 20.654 1.00 25.00 C ATOM 411 O VAL A 24 -1.781 5.729 19.731 1.00 25.00 O ATOM 412 CB VAL A 24 0.063 3.342 21.055 1.00 25.00 C ATOM 413 CG1 VAL A 24 -0.381 2.835 19.675 1.00 25.00 C ATOM 414 CG2 VAL A 24 1.522 3.823 21.020 1.00 25.00 C ATOM 0 H VAL A 24 -2.703 3.604 20.956 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.479 4.813 22.534 1.00 25.00 H new ATOM 0 HB VAL A 24 0.003 2.505 21.751 1.00 25.00 H new ATOM 0 HG11 VAL A 24 0.304 2.058 19.335 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -1.389 2.425 19.745 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -0.374 3.661 18.964 1.00 25.00 H new ATOM 0 HG21 VAL A 24 2.160 3.023 20.646 1.00 25.00 H new ATOM 0 HG22 VAL A 24 1.604 4.689 20.364 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.838 4.099 22.026 1.00 25.00 H new ATOM 424 N LYS A 25 -0.145 6.679 20.934 1.00 25.00 N ATOM 425 CA LYS A 25 -0.134 7.920 20.155 1.00 25.00 C ATOM 426 C LYS A 25 0.682 7.748 18.870 1.00 25.00 C ATOM 427 O LYS A 25 1.856 8.105 18.818 1.00 25.00 O ATOM 428 CB LYS A 25 0.452 9.056 21.011 1.00 25.00 C ATOM 429 CG LYS A 25 0.329 10.457 20.380 1.00 25.00 C ATOM 430 CD LYS A 25 1.688 11.176 20.292 1.00 25.00 C ATOM 431 CE LYS A 25 2.266 11.509 21.674 1.00 25.00 C ATOM 432 NZ LYS A 25 3.603 12.195 21.561 1.00 25.00 N ATOM 0 H LYS A 25 0.529 6.661 21.699 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.157 8.169 19.874 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.050 9.061 21.979 1.00 25.00 H new ATOM 0 HB3 LYS A 25 1.505 8.847 21.199 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -0.098 10.368 19.381 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -0.362 11.060 20.969 1.00 25.00 H new ATOM 0 HD2 LYS A 25 2.393 10.548 19.748 1.00 25.00 H new ATOM 0 HD3 LYS A 25 1.573 12.096 19.719 1.00 25.00 H new ATOM 0 HE2 LYS A 25 1.571 12.151 22.216 1.00 25.00 H new ATOM 0 HE3 LYS A 25 2.373 10.593 22.255 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 3.966 12.406 22.512 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 4.272 11.572 21.065 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 3.495 13.081 21.027 1.00 25.00 H new ATOM 446 N VAL A 26 0.050 7.224 17.832 1.00 25.00 N ATOM 447 CA VAL A 26 0.704 7.053 16.530 1.00 25.00 C ATOM 448 C VAL A 26 -0.054 7.867 15.488 1.00 25.00 C ATOM 449 O VAL A 26 -1.274 7.779 15.372 1.00 25.00 O ATOM 450 CB VAL A 26 0.768 5.551 16.106 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.391 5.402 14.728 1.00 25.00 C ATOM 452 CG2 VAL A 26 1.600 4.751 17.115 1.00 25.00 C ATOM 0 H VAL A 26 -0.919 6.906 17.859 1.00 25.00 H new ATOM 0 HA VAL A 26 1.732 7.407 16.607 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.252 5.169 16.080 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.424 4.347 14.456 1.00 25.00 H new ATOM 0 HG12 VAL A 26 0.793 5.947 13.997 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.404 5.805 14.741 1.00 25.00 H new ATOM 0 HG21 VAL A 26 1.637 3.706 16.808 1.00 25.00 H new ATOM 0 HG22 VAL A 26 2.612 5.154 17.153 1.00 25.00 H new ATOM 0 HG23 VAL A 26 1.143 4.824 18.102 1.00 25.00 H new ATOM 462 N LYS A 27 0.677 8.685 14.743 1.00 25.00 N ATOM 463 CA LYS A 27 0.085 9.487 13.673 1.00 25.00 C ATOM 464 C LYS A 27 -0.262 8.527 12.542 1.00 25.00 C ATOM 465 O LYS A 27 0.513 7.639 12.243 1.00 25.00 O ATOM 466 CB LYS A 27 1.094 10.545 13.200 1.00 25.00 C ATOM 467 CG LYS A 27 0.546 11.550 12.183 1.00 25.00 C ATOM 468 CD LYS A 27 1.629 12.557 11.786 1.00 25.00 C ATOM 469 CE LYS A 27 1.091 13.608 10.810 1.00 25.00 C ATOM 470 NZ LYS A 27 2.161 14.602 10.418 1.00 25.00 N ATOM 0 H LYS A 27 1.682 8.813 14.858 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.808 10.012 14.014 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.459 11.092 14.069 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.952 10.037 12.760 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.189 11.023 11.298 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.310 12.076 12.607 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.012 13.051 12.679 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.467 12.030 11.329 1.00 25.00 H new ATOM 0 HE2 LYS A 27 0.708 13.114 9.917 1.00 25.00 H new ATOM 0 HE3 LYS A 27 0.254 14.135 11.267 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 1.762 15.299 9.757 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 2.509 15.091 11.268 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 2.949 14.101 9.960 1.00 25.00 H new ATOM 484 N PHE A 28 -1.398 8.731 11.896 1.00 25.00 N ATOM 485 CA PHE A 28 -1.830 7.877 10.782 1.00 25.00 C ATOM 486 C PHE A 28 -0.750 7.678 9.729 1.00 25.00 C ATOM 487 O PHE A 28 -0.463 6.556 9.336 1.00 25.00 O ATOM 488 CB PHE A 28 -3.034 8.533 10.098 1.00 25.00 C ATOM 489 CG PHE A 28 -4.290 7.735 10.188 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.535 6.695 9.276 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.252 8.028 11.170 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.722 5.944 9.342 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.447 7.286 11.246 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.685 6.245 10.325 1.00 25.00 C ATOM 0 H PHE A 28 -2.048 9.485 12.120 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.072 6.902 11.204 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.205 9.512 10.546 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.796 8.700 9.048 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.803 6.469 8.515 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.073 8.829 11.872 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.895 5.140 8.642 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.179 7.514 12.007 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.604 5.680 10.373 1.00 25.00 H new ATOM 504 N ALA A 29 -0.143 8.774 9.293 1.00 25.00 N ATOM 505 CA ALA A 29 0.896 8.718 8.273 1.00 25.00 C ATOM 506 C ALA A 29 2.086 7.875 8.737 1.00 25.00 C ATOM 507 O ALA A 29 2.717 7.209 7.941 1.00 25.00 O ATOM 508 CB ALA A 29 1.356 10.140 7.925 1.00 25.00 C ATOM 0 H ALA A 29 -0.352 9.714 9.630 1.00 25.00 H new ATOM 0 HA ALA A 29 0.479 8.244 7.384 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.133 10.095 7.162 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.510 10.714 7.547 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.752 10.623 8.818 1.00 25.00 H new ATOM 514 N ASP A 30 2.377 7.900 10.029 1.00 25.00 N ATOM 515 CA ASP A 30 3.501 7.140 10.565 1.00 25.00 C ATOM 516 C ASP A 30 3.163 5.658 10.666 1.00 25.00 C ATOM 517 O ASP A 30 4.022 4.815 10.489 1.00 25.00 O ATOM 518 CB ASP A 30 3.905 7.671 11.938 1.00 25.00 C ATOM 519 CG ASP A 30 5.404 7.642 12.139 1.00 25.00 C ATOM 520 OD1 ASP A 30 6.077 8.527 11.568 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.928 6.730 12.807 1.00 25.00 O ATOM 0 H ASP A 30 1.855 8.434 10.724 1.00 25.00 H new ATOM 0 HA ASP A 30 4.338 7.260 9.877 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.544 8.693 12.052 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.424 7.075 12.713 1.00 25.00 H new ATOM 526 N LEU A 31 1.900 5.336 10.912 1.00 25.00 N ATOM 527 CA LEU A 31 1.488 3.935 10.976 1.00 25.00 C ATOM 528 C LEU A 31 1.545 3.327 9.583 1.00 25.00 C ATOM 529 O LEU A 31 2.194 2.308 9.352 1.00 25.00 O ATOM 530 CB LEU A 31 0.081 3.809 11.565 1.00 25.00 C ATOM 531 CG LEU A 31 -0.496 2.408 11.885 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.378 1.943 10.754 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.549 1.344 12.200 1.00 25.00 C ATOM 0 H LEU A 31 1.152 6.011 11.069 1.00 25.00 H new ATOM 0 HA LEU A 31 2.171 3.393 11.630 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.062 4.387 12.489 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.607 4.293 10.872 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.074 2.532 12.801 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.779 0.957 10.987 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.199 2.647 10.620 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.794 1.889 9.836 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.052 0.397 12.411 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.214 1.222 11.345 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.130 1.651 13.070 1.00 25.00 H new ATOM 545 N LEU A 32 0.887 3.981 8.641 1.00 25.00 N ATOM 546 CA LEU A 32 0.889 3.496 7.250 1.00 25.00 C ATOM 547 C LEU A 32 2.276 3.555 6.605 1.00 25.00 C ATOM 548 O LEU A 32 2.554 2.813 5.675 1.00 25.00 O ATOM 549 CB LEU A 32 -0.113 4.263 6.374 1.00 25.00 C ATOM 550 CG LEU A 32 -1.596 3.836 6.419 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.800 2.325 6.249 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.243 4.281 7.703 1.00 25.00 C ATOM 0 H LEU A 32 0.351 4.834 8.798 1.00 25.00 H new ATOM 0 HA LEU A 32 0.585 2.451 7.307 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.061 5.316 6.652 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.224 4.189 5.340 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.070 4.328 5.569 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.865 2.095 6.291 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.398 2.010 5.286 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.283 1.796 7.049 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.287 3.969 7.711 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.723 3.830 8.548 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.188 5.367 7.781 1.00 25.00 H new ATOM 564 N LYS A 33 3.172 4.366 7.144 1.00 25.00 N ATOM 565 CA LYS A 33 4.574 4.374 6.684 1.00 25.00 C ATOM 566 C LYS A 33 5.191 2.989 6.873 1.00 25.00 C ATOM 567 O LYS A 33 5.908 2.498 6.014 1.00 25.00 O ATOM 568 CB LYS A 33 5.373 5.424 7.466 1.00 25.00 C ATOM 569 CG LYS A 33 6.896 5.328 7.343 1.00 25.00 C ATOM 570 CD LYS A 33 7.585 6.329 8.276 1.00 25.00 C ATOM 571 CE LYS A 33 7.557 5.833 9.726 1.00 25.00 C ATOM 572 NZ LYS A 33 8.154 6.809 10.693 1.00 25.00 N ATOM 0 H LYS A 33 2.968 5.026 7.894 1.00 25.00 H new ATOM 0 HA LYS A 33 4.602 4.629 5.625 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.062 6.414 7.131 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.107 5.345 8.520 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.221 4.316 7.585 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.194 5.521 6.312 1.00 25.00 H new ATOM 0 HD2 LYS A 33 8.617 6.478 7.958 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.088 7.297 8.209 1.00 25.00 H new ATOM 0 HE2 LYS A 33 6.526 5.630 10.014 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.098 4.889 9.791 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.230 6.366 11.631 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.100 7.089 10.364 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.546 7.651 10.756 1.00 25.00 H new ATOM 586 N PHE A 34 4.888 2.335 7.983 1.00 25.00 N ATOM 587 CA PHE A 34 5.419 0.996 8.226 1.00 25.00 C ATOM 588 C PHE A 34 4.685 -0.063 7.407 1.00 25.00 C ATOM 589 O PHE A 34 5.259 -1.088 7.078 1.00 25.00 O ATOM 590 CB PHE A 34 5.403 0.673 9.714 1.00 25.00 C ATOM 591 CG PHE A 34 6.500 1.366 10.474 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.802 0.831 10.495 1.00 25.00 C ATOM 593 CD2 PHE A 34 6.252 2.571 11.142 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.846 1.497 11.186 1.00 25.00 C ATOM 595 CE2 PHE A 34 7.282 3.242 11.839 1.00 25.00 C ATOM 596 CZ PHE A 34 8.580 2.707 11.859 1.00 25.00 C ATOM 0 H PHE A 34 4.287 2.699 8.722 1.00 25.00 H new ATOM 0 HA PHE A 34 6.457 0.983 7.893 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.439 0.961 10.133 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.499 -0.404 9.848 1.00 25.00 H new ATOM 0 HD1 PHE A 34 8.008 -0.096 9.980 1.00 25.00 H new ATOM 0 HD2 PHE A 34 5.259 2.994 11.124 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.842 1.079 11.197 1.00 25.00 H new ATOM 0 HE2 PHE A 34 7.071 4.166 12.356 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.370 3.220 12.387 1.00 25.00 H new ATOM 606 N PHE A 35 3.451 0.211 7.006 1.00 25.00 N ATOM 607 CA PHE A 35 2.742 -0.688 6.085 1.00 25.00 C ATOM 608 C PHE A 35 3.430 -0.607 4.714 1.00 25.00 C ATOM 609 O PHE A 35 3.468 -1.578 3.969 1.00 25.00 O ATOM 610 CB PHE A 35 1.267 -0.289 5.930 1.00 25.00 C ATOM 611 CG PHE A 35 0.363 -0.776 7.041 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.690 -0.596 8.402 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.852 -1.406 6.717 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.184 -1.051 9.420 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.735 -1.853 7.729 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.397 -1.680 9.079 1.00 25.00 C ATOM 0 H PHE A 35 2.921 1.033 7.294 1.00 25.00 H new ATOM 0 HA PHE A 35 2.775 -1.701 6.487 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.202 0.798 5.876 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.897 -0.678 4.981 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.615 -0.107 8.670 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.115 -1.551 5.680 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.080 -0.915 10.458 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.668 -2.327 7.462 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.064 -2.028 9.854 1.00 25.00 H new ATOM 626 N ASP A 36 4.003 0.546 4.399 1.00 25.00 N ATOM 627 CA ASP A 36 4.742 0.722 3.147 1.00 25.00 C ATOM 628 C ASP A 36 6.092 0.006 3.229 1.00 25.00 C ATOM 629 O ASP A 36 6.578 -0.528 2.244 1.00 25.00 O ATOM 630 CB ASP A 36 4.964 2.211 2.868 1.00 25.00 C ATOM 631 CG ASP A 36 4.528 2.612 1.471 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.396 2.255 1.073 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.261 3.363 0.807 1.00 25.00 O ATOM 0 H ASP A 36 3.973 1.377 4.990 1.00 25.00 H new ATOM 0 HA ASP A 36 4.157 0.292 2.334 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.413 2.801 3.600 1.00 25.00 H new ATOM 0 HB3 ASP A 36 6.020 2.448 2.998 1.00 25.00 H new ATOM 638 N PHE A 37 6.662 -0.055 4.425 1.00 25.00 N ATOM 639 CA PHE A 37 7.924 -0.772 4.645 1.00 25.00 C ATOM 640 C PHE A 37 7.738 -2.277 4.421 1.00 25.00 C ATOM 641 O PHE A 37 8.634 -2.952 3.927 1.00 25.00 O ATOM 642 CB PHE A 37 8.446 -0.495 6.062 1.00 25.00 C ATOM 643 CG PHE A 37 9.833 -1.029 6.315 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.944 -0.477 5.649 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.038 -2.081 7.228 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.252 -0.973 5.888 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.345 -2.582 7.477 1.00 25.00 C ATOM 648 CZ PHE A 37 12.450 -2.026 6.803 1.00 25.00 C ATOM 0 H PHE A 37 6.275 0.381 5.262 1.00 25.00 H new ATOM 0 HA PHE A 37 8.660 -0.413 3.925 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.444 0.581 6.236 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.760 -0.936 6.785 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.799 0.332 4.949 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.193 -2.512 7.745 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.096 -0.543 5.368 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.490 -3.387 8.182 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.444 -2.405 6.987 1.00 25.00 H new ATOM 658 N VAL A 38 6.541 -2.788 4.696 1.00 25.00 N ATOM 659 CA VAL A 38 6.229 -4.188 4.376 1.00 25.00 C ATOM 660 C VAL A 38 6.310 -4.360 2.890 1.00 25.00 C ATOM 661 O VAL A 38 6.840 -5.339 2.398 1.00 25.00 O ATOM 662 CB VAL A 38 4.773 -4.588 4.745 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.464 -6.054 4.345 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.534 -4.397 6.182 1.00 25.00 C ATOM 0 H VAL A 38 5.779 -2.269 5.132 1.00 25.00 H new ATOM 0 HA VAL A 38 6.934 -4.798 4.940 1.00 25.00 H new ATOM 0 HB VAL A 38 4.103 -3.938 4.182 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.437 -6.297 4.619 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.590 -6.172 3.269 1.00 25.00 H new ATOM 0 HG13 VAL A 38 5.147 -6.725 4.866 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.510 -4.682 6.422 1.00 25.00 H new ATOM 0 HG22 VAL A 38 5.226 -5.017 6.752 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.689 -3.349 6.441 1.00 25.00 H new ATOM 674 N LYS A 39 5.721 -3.419 2.171 1.00 25.00 N ATOM 675 CA LYS A 39 5.612 -3.554 0.737 1.00 25.00 C ATOM 676 C LYS A 39 7.007 -3.545 0.114 1.00 25.00 C ATOM 677 O LYS A 39 7.266 -4.258 -0.847 1.00 25.00 O ATOM 678 CB LYS A 39 4.741 -2.426 0.160 1.00 25.00 C ATOM 679 CG LYS A 39 4.513 -2.502 -1.352 1.00 25.00 C ATOM 680 CD LYS A 39 5.428 -1.520 -2.098 1.00 25.00 C ATOM 681 CE LYS A 39 5.221 -1.587 -3.612 1.00 25.00 C ATOM 682 NZ LYS A 39 3.886 -1.023 -4.038 1.00 25.00 N ATOM 0 H LYS A 39 5.317 -2.565 2.555 1.00 25.00 H new ATOM 0 HA LYS A 39 5.131 -4.503 0.498 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.773 -2.441 0.661 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.207 -1.469 0.396 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.702 -3.517 -1.701 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.471 -2.276 -1.578 1.00 25.00 H new ATOM 0 HD2 LYS A 39 5.233 -0.506 -1.749 1.00 25.00 H new ATOM 0 HD3 LYS A 39 6.469 -1.744 -1.863 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.020 -1.037 -4.110 1.00 25.00 H new ATOM 0 HE3 LYS A 39 5.295 -2.624 -3.940 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 3.801 -1.076 -5.073 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 3.121 -1.574 -3.599 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 3.816 -0.031 -3.735 1.00 25.00 H new ATOM 696 N ASP A 40 7.888 -2.733 0.678 1.00 25.00 N ATOM 697 CA ASP A 40 9.271 -2.619 0.206 1.00 25.00 C ATOM 698 C ASP A 40 10.076 -3.905 0.415 1.00 25.00 C ATOM 699 O ASP A 40 10.614 -4.466 -0.535 1.00 25.00 O ATOM 700 CB ASP A 40 9.961 -1.473 0.951 1.00 25.00 C ATOM 701 CG ASP A 40 11.423 -1.333 0.576 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.714 -0.734 -0.479 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.283 -1.786 1.366 1.00 25.00 O ATOM 0 H ASP A 40 7.671 -2.133 1.474 1.00 25.00 H new ATOM 0 HA ASP A 40 9.234 -2.427 -0.866 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.443 -0.539 0.734 1.00 25.00 H new ATOM 0 HB3 ASP A 40 9.879 -1.641 2.025 1.00 25.00 H new ATOM 708 N THR A 41 10.166 -4.371 1.653 1.00 25.00 N ATOM 709 CA THR A 41 10.989 -5.546 1.963 1.00 25.00 C ATOM 710 C THR A 41 10.325 -6.850 1.517 1.00 25.00 C ATOM 711 O THR A 41 10.988 -7.853 1.253 1.00 25.00 O ATOM 712 CB THR A 41 11.271 -5.611 3.478 1.00 25.00 C ATOM 713 OG1 THR A 41 11.482 -4.286 3.972 1.00 25.00 O ATOM 714 CG2 THR A 41 12.511 -6.429 3.780 1.00 25.00 C ATOM 0 H THR A 41 9.687 -3.963 2.456 1.00 25.00 H new ATOM 0 HA THR A 41 11.923 -5.438 1.411 1.00 25.00 H new ATOM 0 HB THR A 41 10.413 -6.082 3.958 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.660 -4.320 4.935 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.678 -6.452 4.857 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.375 -7.446 3.412 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.373 -5.978 3.289 1.00 25.00 H new ATOM 722 N CYS A 42 9.003 -6.837 1.444 1.00 25.00 N ATOM 723 CA CYS A 42 8.227 -8.002 1.022 1.00 25.00 C ATOM 724 C CYS A 42 7.252 -7.647 -0.106 1.00 25.00 C ATOM 725 O CYS A 42 6.040 -7.551 0.120 1.00 25.00 O ATOM 726 CB CYS A 42 7.443 -8.563 2.212 1.00 25.00 C ATOM 727 SG CYS A 42 8.498 -9.182 3.528 1.00 25.00 S ATOM 0 H CYS A 42 8.435 -6.022 1.674 1.00 25.00 H new ATOM 0 HA CYS A 42 8.925 -8.751 0.649 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.795 -7.783 2.612 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.796 -9.369 1.865 1.00 25.00 H new ATOM 0 HG CYS A 42 8.256 -10.445 3.720 1.00 25.00 H new ATOM 733 N PRO A 43 7.748 -7.512 -1.350 1.00 25.00 N ATOM 734 CA PRO A 43 6.842 -7.173 -2.459 1.00 25.00 C ATOM 735 C PRO A 43 5.912 -8.328 -2.824 1.00 25.00 C ATOM 736 O PRO A 43 4.881 -8.146 -3.466 1.00 25.00 O ATOM 737 CB PRO A 43 7.810 -6.843 -3.596 1.00 25.00 C ATOM 738 CG PRO A 43 9.000 -7.692 -3.318 1.00 25.00 C ATOM 739 CD PRO A 43 9.140 -7.669 -1.817 1.00 25.00 C ATOM 0 HA PRO A 43 6.163 -6.355 -2.216 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.375 -7.072 -4.569 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.069 -5.784 -3.604 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.858 -8.708 -3.688 1.00 25.00 H new ATOM 0 HG3 PRO A 43 9.891 -7.297 -3.806 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.590 -8.588 -1.441 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.772 -6.845 -1.484 1.00 25.00 H new ATOM 747 N TRP A 44 6.258 -9.516 -2.357 1.00 25.00 N ATOM 748 CA TRP A 44 5.438 -10.704 -2.544 1.00 25.00 C ATOM 749 C TRP A 44 4.270 -10.759 -1.552 1.00 25.00 C ATOM 750 O TRP A 44 3.332 -11.522 -1.744 1.00 25.00 O ATOM 751 CB TRP A 44 6.318 -11.940 -2.401 1.00 25.00 C ATOM 752 CG TRP A 44 7.427 -11.717 -1.430 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.319 -11.596 -0.096 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.829 -11.550 -1.720 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.530 -11.383 0.496 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.490 -11.338 -0.475 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.593 -11.541 -2.904 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.878 -11.116 -0.384 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.992 -11.319 -2.819 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.618 -11.108 -1.553 1.00 25.00 C ATOM 0 H TRP A 44 7.118 -9.685 -1.836 1.00 25.00 H new ATOM 0 HA TRP A 44 5.003 -10.669 -3.543 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.711 -12.783 -2.072 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.733 -12.206 -3.373 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.385 -11.660 0.443 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.692 -11.275 1.497 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.121 -11.701 -3.862 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.352 -10.956 0.573 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.588 -11.310 -3.719 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.684 -10.940 -1.507 1.00 25.00 H new ATOM 771 N PHE A 45 4.294 -9.942 -0.507 1.00 25.00 N ATOM 772 CA PHE A 45 3.184 -9.939 0.455 1.00 25.00 C ATOM 773 C PHE A 45 1.882 -9.415 -0.186 1.00 25.00 C ATOM 774 O PHE A 45 0.860 -10.112 -0.148 1.00 25.00 O ATOM 775 CB PHE A 45 3.541 -9.143 1.719 1.00 25.00 C ATOM 776 CG PHE A 45 2.475 -9.191 2.780 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.465 -10.222 3.738 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.471 -8.206 2.830 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.470 -10.265 4.747 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.463 -8.247 3.827 1.00 25.00 C ATOM 781 CZ PHE A 45 0.469 -9.275 4.788 1.00 25.00 C ATOM 0 H PHE A 45 5.047 -9.286 -0.301 1.00 25.00 H new ATOM 0 HA PHE A 45 3.010 -10.973 0.754 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.472 -9.531 2.133 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.723 -8.104 1.445 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.224 -10.989 3.704 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.468 -7.410 2.101 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.480 -11.055 5.483 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.308 -7.491 3.849 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.291 -9.305 5.554 1.00 25.00 H new ATOM 791 N PRO A 46 1.898 -8.221 -0.832 1.00 25.00 N ATOM 792 CA PRO A 46 0.625 -7.888 -1.484 1.00 25.00 C ATOM 793 C PRO A 46 0.295 -8.776 -2.687 1.00 25.00 C ATOM 794 O PRO A 46 -0.865 -8.897 -3.058 1.00 25.00 O ATOM 795 CB PRO A 46 0.834 -6.434 -1.920 1.00 25.00 C ATOM 796 CG PRO A 46 2.283 -6.323 -2.145 1.00 25.00 C ATOM 797 CD PRO A 46 2.889 -7.140 -1.037 1.00 25.00 C ATOM 0 HA PRO A 46 -0.220 -8.041 -0.812 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.273 -6.207 -2.826 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.497 -5.737 -1.153 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.565 -6.708 -3.125 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.615 -5.286 -2.103 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.865 -7.536 -1.317 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.032 -6.548 -0.133 1.00 25.00 H new ATOM 805 N GLN A 47 1.306 -9.414 -3.270 1.00 25.00 N ATOM 806 CA GLN A 47 1.107 -10.318 -4.404 1.00 25.00 C ATOM 807 C GLN A 47 0.299 -11.556 -3.990 1.00 25.00 C ATOM 808 O GLN A 47 -0.548 -12.026 -4.745 1.00 25.00 O ATOM 809 CB GLN A 47 2.469 -10.744 -4.959 1.00 25.00 C ATOM 810 CG GLN A 47 2.420 -11.482 -6.294 1.00 25.00 C ATOM 811 CD GLN A 47 3.804 -11.900 -6.757 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.645 -12.277 -5.953 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.047 -11.836 -8.040 1.00 25.00 N ATOM 0 H GLN A 47 2.278 -9.322 -2.975 1.00 25.00 H new ATOM 0 HA GLN A 47 0.544 -9.791 -5.174 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.091 -9.856 -5.074 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.959 -11.384 -4.225 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.787 -12.364 -6.199 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.963 -10.841 -7.047 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.321 -11.517 -8.681 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.963 -12.106 -8.400 1.00 25.00 H new ATOM 822 N GLU A 48 0.533 -12.065 -2.784 1.00 25.00 N ATOM 823 CA GLU A 48 -0.238 -13.213 -2.286 1.00 25.00 C ATOM 824 C GLU A 48 -1.694 -12.806 -2.063 1.00 25.00 C ATOM 825 O GLU A 48 -2.607 -13.631 -2.165 1.00 25.00 O ATOM 826 CB GLU A 48 0.322 -13.741 -0.956 1.00 25.00 C ATOM 827 CG GLU A 48 1.611 -14.552 -1.081 1.00 25.00 C ATOM 828 CD GLU A 48 1.780 -15.533 0.077 1.00 25.00 C ATOM 829 OE1 GLU A 48 0.989 -16.502 0.147 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.669 -15.337 0.939 1.00 25.00 O ATOM 0 H GLU A 48 1.238 -11.711 -2.137 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.167 -13.999 -3.037 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.504 -12.895 -0.293 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.437 -14.362 -0.479 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.605 -15.100 -2.023 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.465 -13.875 -1.111 1.00 25.00 H new ATOM 837 N GLY A 49 -1.901 -11.539 -1.722 1.00 25.00 N ATOM 838 CA GLY A 49 -3.240 -11.012 -1.501 1.00 25.00 C ATOM 839 C GLY A 49 -3.994 -11.703 -0.380 1.00 25.00 C ATOM 840 O GLY A 49 -5.217 -11.623 -0.312 1.00 25.00 O ATOM 0 H GLY A 49 -1.154 -10.856 -1.592 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.169 -9.948 -1.276 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.814 -11.105 -2.423 1.00 25.00 H new ATOM 844 N THR A 50 -3.274 -12.415 0.475 1.00 25.00 N ATOM 845 CA THR A 50 -3.881 -13.192 1.550 1.00 25.00 C ATOM 846 C THR A 50 -3.223 -12.789 2.853 1.00 25.00 C ATOM 847 O THR A 50 -2.000 -12.840 2.979 1.00 25.00 O ATOM 848 CB THR A 50 -3.693 -14.700 1.315 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.162 -15.040 0.007 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.482 -15.515 2.330 1.00 25.00 C ATOM 0 H THR A 50 -2.256 -12.471 0.445 1.00 25.00 H new ATOM 0 HA THR A 50 -4.952 -12.992 1.582 1.00 25.00 H new ATOM 0 HB THR A 50 -2.632 -14.927 1.419 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.565 -14.651 -0.666 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.331 -16.578 2.140 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.139 -15.274 3.336 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.542 -15.278 2.242 1.00 25.00 H new ATOM 858 N ILE A 51 -4.023 -12.329 3.799 1.00 25.00 N ATOM 859 CA ILE A 51 -3.504 -11.741 5.029 1.00 25.00 C ATOM 860 C ILE A 51 -3.949 -12.570 6.223 1.00 25.00 C ATOM 861 O ILE A 51 -5.084 -12.515 6.682 1.00 25.00 O ATOM 862 CB ILE A 51 -3.934 -10.253 5.128 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.337 -9.495 3.920 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.450 -9.605 6.462 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.820 -8.103 3.752 1.00 25.00 C ATOM 0 H ILE A 51 -5.041 -12.350 3.741 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.414 -11.753 5.022 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.022 -10.194 5.117 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.252 -9.477 4.022 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.563 -10.054 3.012 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.769 -8.563 6.497 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.880 -10.145 7.306 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.362 -9.654 6.517 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.344 -7.656 2.879 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.901 -8.107 3.614 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.570 -7.521 4.639 1.00 25.00 H new ATOM 877 N ASP A 52 -3.006 -13.357 6.708 1.00 25.00 N ATOM 878 CA ASP A 52 -3.202 -14.216 7.866 1.00 25.00 C ATOM 879 C ASP A 52 -1.898 -14.154 8.633 1.00 25.00 C ATOM 880 O ASP A 52 -0.885 -13.712 8.092 1.00 25.00 O ATOM 881 CB ASP A 52 -3.484 -15.656 7.447 1.00 25.00 C ATOM 882 CG ASP A 52 -3.628 -16.583 8.633 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.323 -16.218 9.605 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.896 -17.592 8.672 1.00 25.00 O ATOM 0 H ASP A 52 -2.071 -13.420 6.306 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.055 -13.887 8.459 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.397 -15.686 6.852 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.675 -16.011 6.808 1.00 25.00 H new ATOM 889 N ILE A 53 -1.906 -14.610 9.872 1.00 25.00 N ATOM 890 CA ILE A 53 -0.724 -14.572 10.715 1.00 25.00 C ATOM 891 C ILE A 53 0.391 -15.430 10.121 1.00 25.00 C ATOM 892 O ILE A 53 1.563 -15.117 10.273 1.00 25.00 O ATOM 893 CB ILE A 53 -1.101 -15.007 12.159 1.00 25.00 C ATOM 894 CG1 ILE A 53 0.044 -14.734 13.155 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.519 -16.487 12.219 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.404 -13.258 13.332 1.00 25.00 C ATOM 0 H ILE A 53 -2.727 -15.015 10.321 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.341 -13.553 10.763 1.00 25.00 H new ATOM 0 HB ILE A 53 -1.958 -14.401 12.452 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.233 -15.145 14.126 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.932 -15.272 12.823 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.775 -16.752 13.245 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.385 -16.647 11.577 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.694 -17.112 11.878 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.218 -13.166 14.050 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.716 -12.842 12.374 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.466 -12.713 13.698 1.00 25.00 H new ATOM 908 N LYS A 54 0.032 -16.464 9.371 1.00 25.00 N ATOM 909 CA LYS A 54 1.035 -17.299 8.701 1.00 25.00 C ATOM 910 C LYS A 54 1.811 -16.485 7.666 1.00 25.00 C ATOM 911 O LYS A 54 3.014 -16.643 7.530 1.00 25.00 O ATOM 912 CB LYS A 54 0.358 -18.496 8.030 1.00 25.00 C ATOM 913 CG LYS A 54 -0.278 -19.458 9.033 1.00 25.00 C ATOM 914 CD LYS A 54 -1.155 -20.484 8.334 1.00 25.00 C ATOM 915 CE LYS A 54 -1.943 -21.292 9.359 1.00 25.00 C ATOM 916 NZ LYS A 54 -2.887 -22.254 8.696 1.00 25.00 N ATOM 0 H LYS A 54 -0.934 -16.747 9.209 1.00 25.00 H new ATOM 0 HA LYS A 54 1.738 -17.662 9.450 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.408 -18.136 7.343 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.093 -19.035 7.433 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.503 -19.968 9.597 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.874 -18.896 9.752 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.841 -19.982 7.652 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.537 -21.151 7.732 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.253 -21.841 9.999 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.505 -20.615 10.003 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.407 -22.787 9.422 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.561 -21.727 8.105 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -2.348 -22.915 8.101 1.00 25.00 H new ATOM 930 N ARG A 55 1.129 -15.584 6.969 1.00 25.00 N ATOM 931 CA ARG A 55 1.793 -14.710 5.995 1.00 25.00 C ATOM 932 C ARG A 55 2.524 -13.589 6.709 1.00 25.00 C ATOM 933 O ARG A 55 3.623 -13.221 6.334 1.00 25.00 O ATOM 934 CB ARG A 55 0.785 -14.094 5.016 1.00 25.00 C ATOM 935 CG ARG A 55 0.638 -14.863 3.716 1.00 25.00 C ATOM 936 CD ARG A 55 -0.436 -15.933 3.785 1.00 25.00 C ATOM 937 NE ARG A 55 -0.484 -16.655 2.508 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.322 -17.628 2.190 1.00 25.00 C ATOM 939 NH1 ARG A 55 -2.232 -18.081 3.018 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.232 -18.149 1.003 1.00 25.00 N ATOM 0 H ARG A 55 0.124 -15.436 7.055 1.00 25.00 H new ATOM 0 HA ARG A 55 2.500 -15.324 5.436 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.188 -14.034 5.503 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.092 -13.073 4.789 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.400 -14.167 2.912 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.591 -15.327 3.464 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.224 -16.625 4.600 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.404 -15.479 3.996 1.00 25.00 H new ATOM 0 HE ARG A 55 0.194 -16.380 1.797 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -2.316 -17.681 3.953 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -2.856 -18.833 2.728 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -0.530 -17.806 0.347 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.863 -18.901 0.727 1.00 25.00 H new ATOM 954 N TRP A 56 1.911 -13.049 7.750 1.00 25.00 N ATOM 955 CA TRP A 56 2.506 -11.940 8.491 1.00 25.00 C ATOM 956 C TRP A 56 3.810 -12.340 9.174 1.00 25.00 C ATOM 957 O TRP A 56 4.732 -11.539 9.293 1.00 25.00 O ATOM 958 CB TRP A 56 1.521 -11.414 9.528 1.00 25.00 C ATOM 959 CG TRP A 56 1.972 -10.119 10.108 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.325 -9.867 11.392 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.151 -8.871 9.411 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.709 -8.570 11.561 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.633 -7.926 10.360 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.967 -8.457 8.075 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.946 -6.600 10.011 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.272 -7.121 7.723 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.759 -6.206 8.701 1.00 25.00 C ATOM 0 H TRP A 56 1.005 -13.357 8.103 1.00 25.00 H new ATOM 0 HA TRP A 56 2.737 -11.155 7.771 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.542 -11.285 9.067 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.404 -12.149 10.325 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.305 -10.602 12.183 1.00 25.00 H new ATOM 0 HE1 TRP A 56 3.005 -8.149 12.442 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.599 -9.149 7.332 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.323 -5.908 10.749 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.134 -6.792 6.704 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.985 -5.190 8.413 1.00 25.00 H new ATOM 978 N ARG A 57 3.906 -13.598 9.579 1.00 25.00 N ATOM 979 CA ARG A 57 5.138 -14.110 10.172 1.00 25.00 C ATOM 980 C ARG A 57 6.283 -14.029 9.180 1.00 25.00 C ATOM 981 O ARG A 57 7.344 -13.559 9.535 1.00 25.00 O ATOM 982 CB ARG A 57 4.936 -15.540 10.665 1.00 25.00 C ATOM 983 CG ARG A 57 4.282 -15.579 12.042 1.00 25.00 C ATOM 984 CD ARG A 57 3.653 -16.932 12.324 1.00 25.00 C ATOM 985 NE ARG A 57 3.147 -17.018 13.707 1.00 25.00 N ATOM 986 CZ ARG A 57 3.863 -17.382 14.767 1.00 25.00 C ATOM 987 NH1 ARG A 57 5.135 -17.701 14.686 1.00 25.00 N ATOM 988 NH2 ARG A 57 3.283 -17.425 15.935 1.00 25.00 N ATOM 0 H ARG A 57 3.152 -14.281 9.510 1.00 25.00 H new ATOM 0 HA ARG A 57 5.396 -13.489 11.030 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.316 -16.085 9.953 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.899 -16.050 10.706 1.00 25.00 H new ATOM 0 HG2 ARG A 57 5.027 -15.357 12.806 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.520 -14.802 12.106 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.835 -17.106 11.625 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.389 -17.718 12.156 1.00 25.00 H new ATOM 0 HE ARG A 57 2.168 -16.779 13.863 1.00 25.00 H new ATOM 0 HH11 ARG A 57 5.611 -17.675 13.784 1.00 25.00 H new ATOM 0 HH12 ARG A 57 5.647 -17.975 15.525 1.00 25.00 H new ATOM 0 HH21 ARG A 57 2.296 -17.182 16.024 1.00 25.00 H new ATOM 0 HH22 ARG A 57 3.816 -17.702 16.759 1.00 25.00 H new ATOM 1002 N ARG A 58 6.032 -14.370 7.919 1.00 25.00 N ATOM 1003 CA ARG A 58 7.068 -14.281 6.876 1.00 25.00 C ATOM 1004 C ARG A 58 7.638 -12.876 6.748 1.00 25.00 C ATOM 1005 O ARG A 58 8.798 -12.710 6.430 1.00 25.00 O ATOM 1006 CB ARG A 58 6.519 -14.687 5.507 1.00 25.00 C ATOM 1007 CG ARG A 58 5.988 -16.108 5.430 1.00 25.00 C ATOM 1008 CD ARG A 58 5.532 -16.424 4.009 1.00 25.00 C ATOM 1009 NE ARG A 58 6.674 -16.487 3.079 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.601 -16.388 1.755 1.00 25.00 C ATOM 1011 NH1 ARG A 58 5.474 -16.200 1.114 1.00 25.00 N ATOM 1012 NH2 ARG A 58 7.699 -16.471 1.058 1.00 25.00 N ATOM 0 H ARG A 58 5.128 -14.709 7.589 1.00 25.00 H new ATOM 0 HA ARG A 58 7.857 -14.966 7.187 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.718 -14.000 5.234 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.308 -14.568 4.765 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.763 -16.811 5.736 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.155 -16.231 6.123 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.000 -17.375 3.999 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.829 -15.662 3.673 1.00 25.00 H new ATOM 0 HE ARG A 58 7.600 -16.618 3.486 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.599 -16.123 1.633 1.00 25.00 H new ATOM 0 HH12 ARG A 58 5.472 -16.131 0.096 1.00 25.00 H new ATOM 0 HH21 ARG A 58 8.593 -16.609 1.529 1.00 25.00 H new ATOM 0 HH22 ARG A 58 7.664 -16.398 0.041 1.00 25.00 H new ATOM 1026 N VAL A 59 6.816 -11.866 6.986 1.00 25.00 N ATOM 1027 CA VAL A 59 7.265 -10.475 6.891 1.00 25.00 C ATOM 1028 C VAL A 59 8.265 -10.181 7.998 1.00 25.00 C ATOM 1029 O VAL A 59 9.277 -9.520 7.788 1.00 25.00 O ATOM 1030 CB VAL A 59 6.065 -9.492 7.018 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.518 -8.044 6.904 1.00 25.00 C ATOM 1032 CG2 VAL A 59 5.030 -9.793 5.951 1.00 25.00 C ATOM 0 H VAL A 59 5.836 -11.977 7.246 1.00 25.00 H new ATOM 0 HA VAL A 59 7.733 -10.336 5.916 1.00 25.00 H new ATOM 0 HB VAL A 59 5.622 -9.631 8.004 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.655 -7.384 6.997 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.231 -7.822 7.698 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.992 -7.886 5.935 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.195 -9.100 6.049 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.481 -9.681 4.965 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.670 -10.815 6.072 1.00 25.00 H new ATOM 1042 N GLY A 60 7.985 -10.694 9.183 1.00 25.00 N ATOM 1043 CA GLY A 60 8.865 -10.462 10.309 1.00 25.00 C ATOM 1044 C GLY A 60 10.120 -11.291 10.204 1.00 25.00 C ATOM 1045 O GLY A 60 11.193 -10.834 10.573 1.00 25.00 O ATOM 0 H GLY A 60 7.166 -11.266 9.387 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.128 -9.405 10.356 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.344 -10.703 11.236 1.00 25.00 H new ATOM 1049 N ASP A 61 9.989 -12.486 9.649 1.00 25.00 N ATOM 1050 CA ASP A 61 11.134 -13.365 9.419 1.00 25.00 C ATOM 1051 C ASP A 61 12.067 -12.653 8.433 1.00 25.00 C ATOM 1052 O ASP A 61 13.279 -12.631 8.602 1.00 25.00 O ATOM 1053 CB ASP A 61 10.672 -14.712 8.832 1.00 25.00 C ATOM 1054 CG ASP A 61 9.703 -15.471 9.752 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.786 -15.330 10.994 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.822 -16.190 9.213 1.00 25.00 O ATOM 0 H ASP A 61 9.096 -12.875 9.346 1.00 25.00 H new ATOM 0 HA ASP A 61 11.648 -13.572 10.358 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.188 -14.536 7.871 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.545 -15.336 8.640 1.00 25.00 H new ATOM 1061 N CYS A 62 11.471 -12.001 7.440 1.00 25.00 N ATOM 1062 CA CYS A 62 12.218 -11.234 6.445 1.00 25.00 C ATOM 1063 C CYS A 62 12.978 -10.080 7.092 1.00 25.00 C ATOM 1064 O CYS A 62 14.161 -9.875 6.821 1.00 25.00 O ATOM 1065 CB CYS A 62 11.251 -10.669 5.401 1.00 25.00 C ATOM 1066 SG CYS A 62 11.982 -10.444 3.760 1.00 25.00 S ATOM 0 H CYS A 62 10.461 -11.988 7.301 1.00 25.00 H new ATOM 0 HA CYS A 62 12.937 -11.904 5.973 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.394 -11.337 5.316 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.873 -9.709 5.753 1.00 25.00 H new ATOM 0 HG CYS A 62 11.087 -9.965 2.948 1.00 25.00 H new ATOM 1072 N PHE A 63 12.308 -9.333 7.963 1.00 25.00 N ATOM 1073 CA PHE A 63 12.966 -8.227 8.651 1.00 25.00 C ATOM 1074 C PHE A 63 14.099 -8.763 9.508 1.00 25.00 C ATOM 1075 O PHE A 63 15.140 -8.136 9.605 1.00 25.00 O ATOM 1076 CB PHE A 63 12.014 -7.467 9.584 1.00 25.00 C ATOM 1077 CG PHE A 63 10.862 -6.767 8.892 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.977 -6.252 7.581 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.648 -6.584 9.587 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.890 -5.566 6.975 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.564 -5.893 8.992 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.689 -5.385 7.683 1.00 25.00 C ATOM 0 H PHE A 63 11.327 -9.469 8.207 1.00 25.00 H new ATOM 0 HA PHE A 63 13.325 -7.548 7.878 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.608 -8.168 10.313 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.589 -6.726 10.140 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.900 -6.381 7.035 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.544 -6.977 10.588 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.987 -5.183 5.970 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.644 -5.756 9.540 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.865 -4.858 7.225 1.00 25.00 H new ATOM 1092 N GLN A 64 13.886 -9.903 10.151 1.00 25.00 N ATOM 1093 CA GLN A 64 14.887 -10.470 11.046 1.00 25.00 C ATOM 1094 C GLN A 64 16.127 -10.900 10.279 1.00 25.00 C ATOM 1095 O GLN A 64 17.247 -10.621 10.707 1.00 25.00 O ATOM 1096 CB GLN A 64 14.309 -11.671 11.805 1.00 25.00 C ATOM 1097 CG GLN A 64 15.258 -12.237 12.856 1.00 25.00 C ATOM 1098 CD GLN A 64 15.588 -11.227 13.936 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.734 -10.832 14.717 1.00 25.00 O ATOM 1100 NE2 GLN A 64 16.822 -10.797 13.978 1.00 25.00 N ATOM 0 H GLN A 64 13.031 -10.453 10.070 1.00 25.00 H new ATOM 0 HA GLN A 64 15.170 -9.696 11.759 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.379 -11.372 12.289 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.059 -12.456 11.091 1.00 25.00 H new ATOM 0 HG2 GLN A 64 14.808 -13.119 13.312 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.179 -12.563 12.373 1.00 25.00 H new ATOM 0 HE21 GLN A 64 17.508 -11.149 13.310 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.099 -10.109 14.679 1.00 25.00 H new ATOM 1109 N ASP A 65 15.940 -11.561 9.150 1.00 25.00 N ATOM 1110 CA ASP A 65 17.072 -12.007 8.343 1.00 25.00 C ATOM 1111 C ASP A 65 17.850 -10.797 7.848 1.00 25.00 C ATOM 1112 O ASP A 65 19.074 -10.731 7.972 1.00 25.00 O ATOM 1113 CB ASP A 65 16.597 -12.834 7.143 1.00 25.00 C ATOM 1114 CG ASP A 65 16.201 -14.252 7.528 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.622 -14.721 8.610 1.00 25.00 O ATOM 1116 OD2 ASP A 65 15.509 -14.913 6.724 1.00 25.00 O ATOM 0 H ASP A 65 15.024 -11.801 8.770 1.00 25.00 H new ATOM 0 HA ASP A 65 17.713 -12.634 8.963 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.746 -12.337 6.678 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.390 -12.872 6.396 1.00 25.00 H new ATOM 1121 N TYR A 66 17.141 -9.818 7.311 1.00 25.00 N ATOM 1122 CA TYR A 66 17.786 -8.630 6.764 1.00 25.00 C ATOM 1123 C TYR A 66 18.476 -7.811 7.864 1.00 25.00 C ATOM 1124 O TYR A 66 19.540 -7.228 7.643 1.00 25.00 O ATOM 1125 CB TYR A 66 16.745 -7.801 6.004 1.00 25.00 C ATOM 1126 CG TYR A 66 17.303 -7.031 4.825 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.068 -7.685 3.833 1.00 25.00 C ATOM 1128 CD2 TYR A 66 17.042 -5.655 4.666 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.566 -6.979 2.711 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.532 -4.946 3.536 1.00 25.00 C ATOM 1131 CZ TYR A 66 18.288 -5.619 2.572 1.00 25.00 C ATOM 1132 OH TYR A 66 18.767 -4.946 1.476 1.00 25.00 O ATOM 0 H TYR A 66 16.123 -9.819 7.241 1.00 25.00 H new ATOM 0 HA TYR A 66 18.570 -8.933 6.070 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.957 -8.465 5.649 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.282 -7.098 6.696 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.276 -8.740 3.932 1.00 25.00 H new ATOM 0 HD2 TYR A 66 16.462 -5.133 5.413 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.158 -7.491 1.967 1.00 25.00 H new ATOM 0 HE2 TYR A 66 17.321 -3.893 3.423 1.00 25.00 H new ATOM 0 HH TYR A 66 18.038 -4.443 1.056 1.00 25.00 H new ATOM 1142 N PHE A 67 17.912 -7.830 9.065 1.00 25.00 N ATOM 1143 CA PHE A 67 18.535 -7.189 10.223 1.00 25.00 C ATOM 1144 C PHE A 67 19.814 -7.913 10.628 1.00 25.00 C ATOM 1145 O PHE A 67 20.826 -7.279 10.858 1.00 25.00 O ATOM 1146 CB PHE A 67 17.554 -7.196 11.405 1.00 25.00 C ATOM 1147 CG PHE A 67 18.080 -6.535 12.657 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.942 -7.227 13.534 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.685 -5.229 12.988 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.415 -6.613 14.720 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.138 -4.613 14.175 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.009 -5.303 15.040 1.00 25.00 C ATOM 0 H PHE A 67 17.021 -8.283 9.266 1.00 25.00 H new ATOM 0 HA PHE A 67 18.787 -6.164 9.951 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.636 -6.693 11.102 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.291 -8.228 11.637 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.245 -8.237 13.298 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.026 -4.688 12.326 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.085 -7.148 15.377 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.816 -3.612 14.420 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.364 -4.830 15.944 1.00 25.00 H new ATOM 1162 N ASN A 68 19.768 -9.234 10.746 1.00 25.00 N ATOM 1163 CA ASN A 68 20.918 -9.991 11.263 1.00 25.00 C ATOM 1164 C ASN A 68 22.109 -9.949 10.319 1.00 25.00 C ATOM 1165 O ASN A 68 23.255 -10.001 10.743 1.00 25.00 O ATOM 1166 CB ASN A 68 20.513 -11.440 11.575 1.00 25.00 C ATOM 1167 CG ASN A 68 21.107 -12.452 10.616 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.370 -12.798 9.605 1.00 25.00 O flip ATOM 1169 ND2 ASN A 68 22.193 -12.955 10.828 1.00 25.00 N flip ATOM 0 H ASN A 68 18.960 -9.805 10.496 1.00 25.00 H new ATOM 0 HA ASN A 68 21.233 -9.509 12.188 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.825 -11.686 12.590 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.426 -11.519 11.548 1.00 25.00 H new ATOM 0 HD21 ASN A 68 22.744 -12.658 11.633 1.00 25.00 H new ATOM 0 HD22 ASN A 68 22.553 -13.674 10.201 1.00 25.00 H new ATOM 1176 N THR A 69 21.808 -9.783 9.046 1.00 25.00 N ATOM 1177 CA THR A 69 22.829 -9.654 8.003 1.00 25.00 C ATOM 1178 C THR A 69 23.810 -8.499 8.284 1.00 25.00 C ATOM 1179 O THR A 69 25.002 -8.620 8.006 1.00 25.00 O ATOM 1180 CB THR A 69 22.159 -9.423 6.613 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.236 -10.481 6.338 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.180 -9.424 5.484 1.00 25.00 C ATOM 0 H THR A 69 20.851 -9.733 8.697 1.00 25.00 H new ATOM 0 HA THR A 69 23.393 -10.587 7.999 1.00 25.00 H new ATOM 0 HB THR A 69 21.662 -8.454 6.660 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.434 -10.367 6.889 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.672 -9.260 4.534 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.906 -8.628 5.649 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.694 -10.385 5.459 1.00 25.00 H new ATOM 1190 N PHE A 70 23.315 -7.382 8.810 1.00 25.00 N ATOM 1191 CA PHE A 70 24.172 -6.213 9.079 1.00 25.00 C ATOM 1192 C PHE A 70 24.109 -5.649 10.498 1.00 25.00 C ATOM 1193 O PHE A 70 25.135 -5.339 11.090 1.00 25.00 O ATOM 1194 CB PHE A 70 23.804 -5.090 8.118 1.00 25.00 C ATOM 1195 CG PHE A 70 24.669 -5.033 6.896 1.00 25.00 C ATOM 1196 CD1 PHE A 70 25.863 -4.288 6.908 1.00 25.00 C ATOM 1197 CD2 PHE A 70 24.297 -5.710 5.720 1.00 25.00 C ATOM 1198 CE1 PHE A 70 26.685 -4.215 5.756 1.00 25.00 C ATOM 1199 CE2 PHE A 70 25.109 -5.648 4.559 1.00 25.00 C ATOM 1200 CZ PHE A 70 26.307 -4.898 4.580 1.00 25.00 C ATOM 0 H PHE A 70 22.334 -7.254 9.059 1.00 25.00 H new ATOM 0 HA PHE A 70 25.189 -6.582 8.944 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.765 -5.213 7.811 1.00 25.00 H new ATOM 0 HB3 PHE A 70 23.871 -4.138 8.644 1.00 25.00 H new ATOM 0 HD1 PHE A 70 26.156 -3.765 7.806 1.00 25.00 H new ATOM 0 HD2 PHE A 70 23.382 -6.284 5.701 1.00 25.00 H new ATOM 0 HE1 PHE A 70 27.598 -3.638 5.778 1.00 25.00 H new ATOM 0 HE2 PHE A 70 24.813 -6.172 3.662 1.00 25.00 H new ATOM 0 HZ PHE A 70 26.931 -4.848 3.700 1.00 25.00 H new ATOM 1210 N GLY A 71 22.899 -5.450 11.000 1.00 25.00 N ATOM 1211 CA GLY A 71 22.692 -4.788 12.277 1.00 25.00 C ATOM 1212 C GLY A 71 21.510 -3.837 12.179 1.00 25.00 C ATOM 1213 O GLY A 71 20.792 -3.846 11.161 1.00 25.00 O ATOM 0 H GLY A 71 22.039 -5.741 10.536 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.511 -5.529 13.056 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.589 -4.239 12.562 1.00 25.00 H new ATOM 1217 N PRO A 72 21.275 -2.980 13.192 1.00 25.00 N ATOM 1218 CA PRO A 72 20.140 -2.044 13.167 1.00 25.00 C ATOM 1219 C PRO A 72 20.272 -0.919 12.146 1.00 25.00 C ATOM 1220 O PRO A 72 19.327 -0.170 11.908 1.00 25.00 O ATOM 1221 CB PRO A 72 20.129 -1.491 14.594 1.00 25.00 C ATOM 1222 CG PRO A 72 21.547 -1.532 15.004 1.00 25.00 C ATOM 1223 CD PRO A 72 22.059 -2.831 14.433 1.00 25.00 C ATOM 0 HA PRO A 72 19.220 -2.544 12.864 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.734 -0.476 14.626 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.506 -2.096 15.252 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.100 -0.679 14.611 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.649 -1.506 16.089 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.129 -2.789 14.232 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.896 -3.664 15.116 1.00 25.00 H new ATOM 1231 N GLU A 73 21.434 -0.822 11.522 1.00 25.00 N ATOM 1232 CA GLU A 73 21.676 0.160 10.475 1.00 25.00 C ATOM 1233 C GLU A 73 20.892 -0.224 9.228 1.00 25.00 C ATOM 1234 O GLU A 73 20.521 0.630 8.425 1.00 25.00 O ATOM 1235 CB GLU A 73 23.172 0.204 10.120 1.00 25.00 C ATOM 1236 CG GLU A 73 24.104 0.566 11.291 1.00 25.00 C ATOM 1237 CD GLU A 73 24.274 -0.572 12.300 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.058 -1.748 11.925 1.00 25.00 O ATOM 1239 OE2 GLU A 73 24.530 -0.282 13.484 1.00 25.00 O ATOM 0 H GLU A 73 22.235 -1.420 11.725 1.00 25.00 H new ATOM 0 HA GLU A 73 21.359 1.139 10.835 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.466 -0.769 9.727 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.320 0.929 9.319 1.00 25.00 H new ATOM 0 HG2 GLU A 73 25.082 0.842 10.897 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.708 1.442 11.805 1.00 25.00 H new ATOM 1246 N LYS A 74 20.658 -1.520 9.053 1.00 25.00 N ATOM 1247 CA LYS A 74 19.966 -2.008 7.861 1.00 25.00 C ATOM 1248 C LYS A 74 18.460 -2.061 8.020 1.00 25.00 C ATOM 1249 O LYS A 74 17.731 -1.729 7.089 1.00 25.00 O ATOM 1250 CB LYS A 74 20.483 -3.391 7.474 1.00 25.00 C ATOM 1251 CG LYS A 74 21.211 -3.410 6.130 1.00 25.00 C ATOM 1252 CD LYS A 74 20.278 -3.053 4.975 1.00 25.00 C ATOM 1253 CE LYS A 74 21.017 -3.062 3.654 1.00 25.00 C ATOM 1254 NZ LYS A 74 20.114 -2.578 2.556 1.00 25.00 N ATOM 0 H LYS A 74 20.933 -2.247 9.713 1.00 25.00 H new ATOM 0 HA LYS A 74 20.181 -1.288 7.071 1.00 25.00 H new ATOM 0 HB2 LYS A 74 21.159 -3.749 8.251 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.645 -4.087 7.435 1.00 25.00 H new ATOM 0 HG2 LYS A 74 22.042 -2.706 6.157 1.00 25.00 H new ATOM 0 HG3 LYS A 74 21.637 -4.399 5.961 1.00 25.00 H new ATOM 0 HD2 LYS A 74 19.452 -3.763 4.938 1.00 25.00 H new ATOM 0 HD3 LYS A 74 19.844 -2.068 5.145 1.00 25.00 H new ATOM 0 HE2 LYS A 74 21.899 -2.425 3.717 1.00 25.00 H new ATOM 0 HE3 LYS A 74 21.367 -4.070 3.431 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 20.680 -2.096 1.828 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 19.620 -3.388 2.130 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 19.416 -1.914 2.948 1.00 25.00 H new ATOM 1268 N VAL A 75 17.991 -2.472 9.188 1.00 25.00 N ATOM 1269 CA VAL A 75 16.555 -2.490 9.464 1.00 25.00 C ATOM 1270 C VAL A 75 16.362 -1.814 10.812 1.00 25.00 C ATOM 1271 O VAL A 75 17.021 -2.172 11.787 1.00 25.00 O ATOM 1272 CB VAL A 75 16.007 -3.953 9.534 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.505 -3.978 9.880 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.226 -4.672 8.211 1.00 25.00 C ATOM 0 H VAL A 75 18.576 -2.796 9.958 1.00 25.00 H new ATOM 0 HA VAL A 75 16.014 -1.977 8.668 1.00 25.00 H new ATOM 0 HB VAL A 75 16.557 -4.465 10.324 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.158 -5.011 9.920 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.347 -3.504 10.849 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.947 -3.437 9.116 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.838 -5.688 8.281 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.705 -4.138 7.416 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.292 -4.705 7.987 1.00 25.00 H new ATOM 1284 N PRO A 76 15.427 -0.855 10.905 1.00 25.00 N ATOM 1285 CA PRO A 76 15.294 -0.241 12.225 1.00 25.00 C ATOM 1286 C PRO A 76 14.571 -1.133 13.223 1.00 25.00 C ATOM 1287 O PRO A 76 13.634 -1.846 12.874 1.00 25.00 O ATOM 1288 CB PRO A 76 14.477 1.010 11.932 1.00 25.00 C ATOM 1289 CG PRO A 76 13.646 0.652 10.763 1.00 25.00 C ATOM 1290 CD PRO A 76 14.518 -0.236 9.919 1.00 25.00 C ATOM 0 HA PRO A 76 16.262 -0.047 12.687 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.860 1.288 12.786 1.00 25.00 H new ATOM 0 HB3 PRO A 76 15.122 1.861 11.714 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.737 0.135 11.069 1.00 25.00 H new ATOM 0 HG3 PRO A 76 13.337 1.540 10.212 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.933 -0.985 9.386 1.00 25.00 H new ATOM 0 HD3 PRO A 76 15.066 0.334 9.169 1.00 25.00 H new ATOM 1298 N VAL A 77 14.944 -1.037 14.488 1.00 25.00 N ATOM 1299 CA VAL A 77 14.289 -1.828 15.531 1.00 25.00 C ATOM 1300 C VAL A 77 12.819 -1.424 15.713 1.00 25.00 C ATOM 1301 O VAL A 77 11.994 -2.221 16.158 1.00 25.00 O ATOM 1302 CB VAL A 77 15.048 -1.727 16.883 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.443 -2.357 16.752 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.182 -0.265 17.339 1.00 25.00 C ATOM 0 H VAL A 77 15.690 -0.426 14.822 1.00 25.00 H new ATOM 0 HA VAL A 77 14.315 -2.866 15.201 1.00 25.00 H new ATOM 0 HB VAL A 77 14.471 -2.269 17.633 1.00 25.00 H new ATOM 0 HG11 VAL A 77 16.967 -2.281 17.705 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.344 -3.406 16.475 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.009 -1.831 15.983 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.717 -0.227 18.288 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.733 0.301 16.588 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.190 0.169 17.465 1.00 25.00 H new ATOM 1314 N THR A 78 12.463 -0.212 15.302 1.00 25.00 N ATOM 1315 CA THR A 78 11.069 0.228 15.386 1.00 25.00 C ATOM 1316 C THR A 78 10.201 -0.512 14.390 1.00 25.00 C ATOM 1317 O THR A 78 9.001 -0.642 14.600 1.00 25.00 O ATOM 1318 CB THR A 78 10.905 1.757 15.173 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.519 2.101 15.112 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.581 2.257 13.920 1.00 25.00 C ATOM 0 H THR A 78 13.107 0.477 14.912 1.00 25.00 H new ATOM 0 HA THR A 78 10.744 -0.005 16.400 1.00 25.00 H new ATOM 0 HB THR A 78 11.387 2.235 16.026 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.265 2.272 14.181 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.429 3.333 13.829 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.649 2.044 13.973 1.00 25.00 H new ATOM 0 HG23 THR A 78 11.154 1.756 13.051 1.00 25.00 H new ATOM 1328 N ALA A 79 10.788 -1.038 13.326 1.00 25.00 N ATOM 1329 CA ALA A 79 9.998 -1.783 12.361 1.00 25.00 C ATOM 1330 C ALA A 79 9.440 -3.049 13.012 1.00 25.00 C ATOM 1331 O ALA A 79 8.300 -3.410 12.776 1.00 25.00 O ATOM 1332 CB ALA A 79 10.833 -2.112 11.156 1.00 25.00 C ATOM 0 H ALA A 79 11.783 -0.966 13.112 1.00 25.00 H new ATOM 0 HA ALA A 79 9.158 -1.172 12.031 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.232 -2.671 10.438 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.185 -1.189 10.694 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.689 -2.715 11.460 1.00 25.00 H new ATOM 1338 N PHE A 80 10.219 -3.681 13.880 1.00 25.00 N ATOM 1339 CA PHE A 80 9.758 -4.877 14.593 1.00 25.00 C ATOM 1340 C PHE A 80 8.703 -4.513 15.629 1.00 25.00 C ATOM 1341 O PHE A 80 7.791 -5.286 15.911 1.00 25.00 O ATOM 1342 CB PHE A 80 10.920 -5.558 15.311 1.00 25.00 C ATOM 1343 CG PHE A 80 12.003 -6.027 14.391 1.00 25.00 C ATOM 1344 CD1 PHE A 80 13.053 -5.164 14.033 1.00 25.00 C ATOM 1345 CD2 PHE A 80 11.991 -7.339 13.883 1.00 25.00 C ATOM 1346 CE1 PHE A 80 14.084 -5.595 13.182 1.00 25.00 C ATOM 1347 CE2 PHE A 80 13.019 -7.787 13.027 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.067 -6.914 12.674 1.00 25.00 C ATOM 0 H PHE A 80 11.170 -3.391 14.110 1.00 25.00 H new ATOM 0 HA PHE A 80 9.332 -5.554 13.853 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.346 -4.863 16.035 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.539 -6.410 15.874 1.00 25.00 H new ATOM 0 HD1 PHE A 80 13.067 -4.155 14.418 1.00 25.00 H new ATOM 0 HD2 PHE A 80 11.188 -8.009 14.151 1.00 25.00 H new ATOM 0 HE1 PHE A 80 14.886 -4.922 12.917 1.00 25.00 H new ATOM 0 HE2 PHE A 80 13.003 -8.796 12.643 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.855 -7.252 12.017 1.00 25.00 H new ATOM 1358 N SER A 81 8.835 -3.330 16.207 1.00 25.00 N ATOM 1359 CA SER A 81 7.892 -2.870 17.226 1.00 25.00 C ATOM 1360 C SER A 81 6.533 -2.655 16.572 1.00 25.00 C ATOM 1361 O SER A 81 5.510 -3.136 17.056 1.00 25.00 O ATOM 1362 CB SER A 81 8.382 -1.567 17.864 1.00 25.00 C ATOM 1363 OG SER A 81 7.491 -1.125 18.870 1.00 25.00 O ATOM 0 H SER A 81 9.582 -2.669 15.992 1.00 25.00 H new ATOM 0 HA SER A 81 7.811 -3.621 18.012 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.373 -1.719 18.293 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.480 -0.798 17.098 1.00 25.00 H new ATOM 0 HG SER A 81 7.828 -0.292 19.262 1.00 25.00 H new ATOM 1369 N TYR A 82 6.541 -1.994 15.426 1.00 25.00 N ATOM 1370 CA TYR A 82 5.323 -1.776 14.662 1.00 25.00 C ATOM 1371 C TYR A 82 4.775 -3.089 14.144 1.00 25.00 C ATOM 1372 O TYR A 82 3.575 -3.322 14.174 1.00 25.00 O ATOM 1373 CB TYR A 82 5.608 -0.857 13.486 1.00 25.00 C ATOM 1374 CG TYR A 82 5.344 0.586 13.808 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.303 1.376 14.475 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.121 1.171 13.453 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.046 2.744 14.764 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.858 2.540 13.740 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.828 3.312 14.382 1.00 25.00 C ATOM 1380 OH TYR A 82 4.581 4.635 14.636 1.00 25.00 O ATOM 0 H TYR A 82 7.380 -1.598 15.003 1.00 25.00 H new ATOM 0 HA TYR A 82 4.585 -1.317 15.320 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.648 -0.974 13.181 1.00 25.00 H new ATOM 0 HB3 TYR A 82 4.992 -1.156 12.638 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.244 0.936 14.770 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.369 0.576 12.956 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.787 3.340 15.275 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.912 2.980 13.462 1.00 25.00 H new ATOM 0 HH TYR A 82 5.079 5.189 13.999 1.00 25.00 H new ATOM 1390 N TRP A 83 5.658 -3.961 13.692 1.00 25.00 N ATOM 1391 CA TRP A 83 5.257 -5.255 13.163 1.00 25.00 C ATOM 1392 C TRP A 83 4.489 -6.060 14.212 1.00 25.00 C ATOM 1393 O TRP A 83 3.511 -6.739 13.894 1.00 25.00 O ATOM 1394 CB TRP A 83 6.508 -6.025 12.721 1.00 25.00 C ATOM 1395 CG TRP A 83 6.241 -7.420 12.269 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.884 -7.839 11.030 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.322 -8.617 13.067 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.711 -9.190 10.986 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.970 -9.710 12.223 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.663 -8.879 14.410 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.942 -11.038 12.683 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.649 -10.218 14.875 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.283 -11.285 14.001 1.00 25.00 C ATOM 0 H TRP A 83 6.665 -3.796 13.680 1.00 25.00 H new ATOM 0 HA TRP A 83 4.597 -5.100 12.310 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.989 -5.478 11.910 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.215 -6.053 13.550 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.753 -7.183 10.182 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.433 -9.726 10.164 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.931 -8.071 15.075 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.661 -11.846 12.024 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.917 -10.432 15.899 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.272 -12.299 14.373 1.00 25.00 H new ATOM 1414 N ASN A 84 4.903 -5.948 15.468 1.00 25.00 N ATOM 1415 CA ASN A 84 4.237 -6.651 16.567 1.00 25.00 C ATOM 1416 C ASN A 84 2.823 -6.115 16.834 1.00 25.00 C ATOM 1417 O ASN A 84 1.973 -6.842 17.346 1.00 25.00 O ATOM 1418 CB ASN A 84 5.071 -6.553 17.848 1.00 25.00 C ATOM 1419 CG ASN A 84 6.026 -7.716 18.010 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.628 -8.819 18.375 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.277 -7.488 17.734 1.00 25.00 N ATOM 0 H ASN A 84 5.698 -5.377 15.755 1.00 25.00 H new ATOM 0 HA ASN A 84 4.146 -7.694 16.263 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.637 -5.621 17.839 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.404 -6.512 18.709 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.963 -8.238 17.818 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.572 -6.559 17.433 1.00 25.00 H new ATOM 1428 N LEU A 85 2.555 -4.869 16.465 1.00 25.00 N ATOM 1429 CA LEU A 85 1.222 -4.290 16.636 1.00 25.00 C ATOM 1430 C LEU A 85 0.268 -4.956 15.649 1.00 25.00 C ATOM 1431 O LEU A 85 -0.830 -5.360 15.994 1.00 25.00 O ATOM 1432 CB LEU A 85 1.291 -2.769 16.401 1.00 25.00 C ATOM 1433 CG LEU A 85 0.063 -1.907 16.738 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.530 -0.460 16.946 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -1.007 -1.924 15.637 1.00 25.00 C ATOM 0 H LEU A 85 3.239 -4.239 16.046 1.00 25.00 H new ATOM 0 HA LEU A 85 0.857 -4.461 17.649 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.132 -2.384 16.978 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.527 -2.609 15.349 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.393 -2.324 17.636 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.328 0.168 17.186 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.248 -0.424 17.766 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.002 -0.095 16.034 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.847 -1.297 15.936 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.581 -1.542 14.709 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.354 -2.946 15.483 1.00 25.00 H new ATOM 1447 N ILE A 86 0.700 -5.101 14.409 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.154 -5.720 13.395 1.00 25.00 C ATOM 1449 C ILE A 86 -0.232 -7.231 13.639 1.00 25.00 C ATOM 1450 O ILE A 86 -1.243 -7.878 13.363 1.00 25.00 O ATOM 1451 CB ILE A 86 0.363 -5.430 11.982 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.366 -3.914 11.729 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.508 -6.120 10.934 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.734 -3.373 11.406 1.00 25.00 C ATOM 0 H ILE A 86 1.619 -4.807 14.078 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.153 -5.291 13.475 1.00 25.00 H new ATOM 0 HB ILE A 86 1.379 -5.817 11.902 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.312 -3.687 10.906 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.021 -3.403 12.611 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.122 -5.900 9.938 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.492 -7.197 11.100 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.532 -5.756 11.015 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.670 -2.298 11.238 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.409 -3.570 12.239 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.114 -3.859 10.507 1.00 25.00 H new ATOM 1466 N LYS A 87 0.824 -7.782 14.215 1.00 25.00 N ATOM 1467 CA LYS A 87 0.872 -9.199 14.555 1.00 25.00 C ATOM 1468 C LYS A 87 -0.294 -9.569 15.453 1.00 25.00 C ATOM 1469 O LYS A 87 -1.012 -10.500 15.140 1.00 25.00 O ATOM 1470 CB LYS A 87 2.201 -9.489 15.247 1.00 25.00 C ATOM 1471 CG LYS A 87 2.357 -10.843 15.895 1.00 25.00 C ATOM 1472 CD LYS A 87 3.566 -10.754 16.800 1.00 25.00 C ATOM 1473 CE LYS A 87 3.821 -12.003 17.606 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.010 -11.749 18.500 1.00 25.00 N ATOM 0 H LYS A 87 1.669 -7.265 14.460 1.00 25.00 H new ATOM 0 HA LYS A 87 0.794 -9.800 13.649 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.998 -9.372 14.512 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.358 -8.728 16.011 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.465 -11.105 16.465 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.493 -11.619 15.142 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.446 -10.539 16.194 1.00 25.00 H new ATOM 0 HD3 LYS A 87 3.436 -9.914 17.482 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.944 -12.257 18.202 1.00 25.00 H new ATOM 0 HE3 LYS A 87 4.014 -12.849 16.946 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.820 -12.312 18.169 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.256 -10.739 18.472 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.775 -12.021 19.476 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.503 -8.852 16.549 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.603 -9.195 17.459 1.00 25.00 C ATOM 1490 C GLU A 88 -2.965 -8.928 16.809 1.00 25.00 C ATOM 1491 O GLU A 88 -3.930 -9.645 17.071 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.480 -8.452 18.799 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.509 -6.934 18.689 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.407 -6.230 20.029 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.594 -6.875 21.084 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -1.178 -5.000 20.028 1.00 25.00 O ATOM 0 H GLU A 88 0.056 -8.047 16.831 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.532 -10.263 17.665 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -2.292 -8.771 19.452 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.549 -8.750 19.280 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.687 -6.608 18.052 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.433 -6.630 18.197 1.00 25.00 H new ATOM 1503 N LEU A 89 -3.028 -7.937 15.925 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.251 -7.612 15.210 1.00 25.00 C ATOM 1505 C LEU A 89 -4.738 -8.783 14.367 1.00 25.00 C ATOM 1506 O LEU A 89 -5.922 -9.101 14.362 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.004 -6.396 14.316 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.660 -5.110 14.810 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -4.111 -4.599 16.142 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -4.517 -4.022 13.742 1.00 25.00 C ATOM 0 H LEU A 89 -2.235 -7.341 15.687 1.00 25.00 H new ATOM 0 HA LEU A 89 -5.026 -7.388 15.943 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -2.929 -6.233 14.233 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.372 -6.616 13.314 1.00 25.00 H new ATOM 0 HG LEU A 89 -5.708 -5.350 14.988 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -4.630 -3.682 16.422 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -4.266 -5.354 16.913 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -3.045 -4.396 16.042 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -4.985 -3.103 14.094 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -3.460 -3.839 13.548 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.004 -4.348 12.823 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.827 -9.417 13.644 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.194 -10.560 12.810 1.00 25.00 C ATOM 1524 C ILE A 90 -4.306 -11.833 13.657 1.00 25.00 C ATOM 1525 O ILE A 90 -5.193 -12.650 13.445 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.169 -10.807 11.670 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.961 -9.535 10.822 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.677 -11.934 10.746 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.723 -9.608 9.923 1.00 25.00 C ATOM 0 H ILE A 90 -2.839 -9.166 13.615 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.159 -10.321 12.362 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.221 -11.088 12.129 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.843 -9.370 10.203 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.871 -8.674 11.485 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -2.954 -12.104 9.948 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.801 -12.850 11.324 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.635 -11.646 10.313 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.632 -8.684 9.353 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.834 -9.743 10.539 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.821 -10.449 9.237 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.398 -12.002 14.610 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.349 -13.211 15.451 1.00 25.00 C ATOM 1543 C ASP A 91 -4.654 -13.429 16.207 1.00 25.00 C ATOM 1544 O ASP A 91 -5.053 -14.560 16.448 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.197 -13.085 16.457 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.963 -14.354 17.254 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.310 -15.279 16.721 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.284 -14.360 18.470 1.00 25.00 O ATOM 0 H ASP A 91 -2.676 -11.315 14.828 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.192 -14.068 14.796 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.283 -12.824 15.923 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.410 -12.266 17.144 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.320 -12.338 16.568 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.575 -12.411 17.323 1.00 25.00 C ATOM 1555 C LYS A 92 -7.705 -11.677 16.617 1.00 25.00 C ATOM 1556 O LYS A 92 -8.588 -11.094 17.246 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.336 -11.900 18.732 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.324 -12.781 19.425 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.394 -12.666 20.905 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.519 -13.739 21.557 1.00 25.00 C ATOM 1561 NZ LYS A 92 -3.092 -13.678 21.080 1.00 25.00 N ATOM 0 H LYS A 92 -5.015 -11.389 16.352 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.898 -13.450 17.384 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.977 -10.871 18.701 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.272 -11.894 19.291 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.490 -13.819 19.135 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.322 -12.513 19.089 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.062 -11.676 21.217 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.426 -12.776 21.238 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.544 -13.617 22.640 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -4.931 -14.724 21.338 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -2.506 -14.317 21.655 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -3.046 -13.970 20.083 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -2.736 -12.705 21.172 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.690 -11.746 15.293 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.732 -11.131 14.458 1.00 25.00 C ATOM 1577 C LYS A 93 -10.125 -11.666 14.808 1.00 25.00 C ATOM 1578 O LYS A 93 -11.100 -10.932 14.760 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.427 -11.387 12.966 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.315 -12.876 12.618 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.824 -13.161 11.211 1.00 25.00 C ATOM 1582 CE LYS A 93 -6.892 -14.391 11.214 1.00 25.00 C ATOM 1583 NZ LYS A 93 -7.421 -15.556 12.037 1.00 25.00 N ATOM 0 H LYS A 93 -6.963 -12.225 14.762 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.729 -10.059 14.653 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.213 -10.937 12.359 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.495 -10.888 12.702 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.638 -13.352 13.328 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.292 -13.341 12.749 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.673 -13.339 10.550 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.293 -12.293 10.820 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -6.739 -14.723 10.187 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -5.917 -14.096 11.602 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -6.762 -16.358 11.967 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -7.509 -15.266 13.032 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -8.353 -15.841 11.675 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.216 -12.939 15.171 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.506 -13.579 15.457 1.00 25.00 C ATOM 1599 C GLU A 94 -12.237 -13.025 16.680 1.00 25.00 C ATOM 1600 O GLU A 94 -13.440 -13.207 16.805 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.331 -15.100 15.615 1.00 25.00 C ATOM 1602 CG GLU A 94 -10.115 -15.541 16.440 1.00 25.00 C ATOM 1603 CD GLU A 94 -8.972 -16.017 15.549 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -8.504 -15.213 14.707 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.575 -17.191 15.643 1.00 25.00 O ATOM 0 H GLU A 94 -9.411 -13.556 15.276 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.132 -13.348 14.595 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -12.230 -15.506 16.079 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -11.256 -15.545 14.623 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.773 -14.710 17.058 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.407 -16.343 17.118 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.533 -12.321 17.557 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.169 -11.724 18.740 1.00 25.00 C ATOM 1614 C VAL A 95 -12.137 -10.201 18.638 1.00 25.00 C ATOM 1615 O VAL A 95 -12.478 -9.490 19.581 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.504 -12.209 20.065 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.683 -13.729 20.221 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.012 -11.863 20.106 1.00 25.00 C ATOM 0 H VAL A 95 -10.531 -12.147 17.480 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.207 -12.055 18.766 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.997 -11.693 20.889 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.215 -14.057 21.149 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.746 -13.970 20.246 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.215 -14.239 19.379 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.582 -12.216 21.043 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.504 -12.344 19.270 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.887 -10.783 20.034 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.750 -9.700 17.473 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.713 -8.261 17.224 1.00 25.00 C ATOM 1630 C ASN A 96 -12.333 -7.943 15.857 1.00 25.00 C ATOM 1631 O ASN A 96 -11.627 -7.824 14.851 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.275 -7.746 17.301 1.00 25.00 C ATOM 1633 CG ASN A 96 -10.208 -6.243 17.359 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -11.051 -5.540 16.803 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -9.211 -5.736 18.028 1.00 25.00 N ATOM 0 H ASN A 96 -11.455 -10.270 16.680 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.298 -7.756 17.992 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.789 -8.163 18.183 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.718 -8.099 16.433 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -9.110 -4.724 18.104 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.532 -6.351 18.476 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.665 -7.785 15.797 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.254 -7.550 14.474 1.00 25.00 C ATOM 1644 C PRO A 97 -13.888 -6.205 13.839 1.00 25.00 C ATOM 1645 O PRO A 97 -13.968 -6.055 12.623 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.758 -7.641 14.748 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.897 -7.219 16.165 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.703 -7.838 16.845 1.00 25.00 C ATOM 0 HA PRO A 97 -13.880 -8.270 13.746 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.324 -6.990 14.081 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.130 -8.654 14.596 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.893 -6.133 16.261 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.832 -7.574 16.598 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.409 -7.279 17.734 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.904 -8.861 17.163 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.456 -5.238 14.641 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.106 -3.923 14.114 1.00 25.00 C ATOM 1658 C GLN A 98 -11.897 -4.049 13.206 1.00 25.00 C ATOM 1659 O GLN A 98 -11.844 -3.459 12.123 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.790 -2.946 15.256 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.266 -1.525 14.992 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.778 -1.437 14.868 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -15.313 -1.364 13.776 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -15.464 -1.463 15.981 1.00 25.00 N ATOM 0 H GLN A 98 -13.340 -5.337 15.650 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.955 -3.536 13.551 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -13.253 -3.311 16.173 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.713 -2.934 15.425 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.932 -0.876 15.801 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.806 -1.155 14.076 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -14.980 -1.525 16.877 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -16.483 -1.422 15.953 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.921 -4.828 13.650 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.705 -5.007 12.873 1.00 25.00 C ATOM 1675 C VAL A 99 -9.888 -6.106 11.837 1.00 25.00 C ATOM 1676 O VAL A 99 -9.302 -6.039 10.776 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.456 -5.267 13.775 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.379 -4.181 14.871 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.470 -6.648 14.379 1.00 25.00 C ATOM 0 H VAL A 99 -10.946 -5.340 14.532 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.513 -4.072 12.347 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.565 -5.212 13.149 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.508 -4.361 15.501 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.293 -3.199 14.405 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -9.282 -4.215 15.481 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.583 -6.784 14.998 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.363 -6.767 14.993 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.475 -7.393 13.583 1.00 25.00 H new ATOM 1689 N MET A 100 -10.751 -7.077 12.107 1.00 25.00 N ATOM 1690 CA MET A 100 -11.019 -8.157 11.153 1.00 25.00 C ATOM 1691 C MET A 100 -11.637 -7.592 9.875 1.00 25.00 C ATOM 1692 O MET A 100 -11.290 -8.005 8.766 1.00 25.00 O ATOM 1693 CB MET A 100 -11.949 -9.195 11.789 1.00 25.00 C ATOM 1694 CG MET A 100 -12.207 -10.420 10.931 1.00 25.00 C ATOM 1695 SD MET A 100 -13.689 -10.215 9.919 1.00 25.00 S ATOM 1696 CE MET A 100 -13.149 -10.898 8.364 1.00 25.00 C ATOM 0 H MET A 100 -11.279 -7.143 12.977 1.00 25.00 H new ATOM 0 HA MET A 100 -10.079 -8.644 10.893 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.519 -9.516 12.738 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.903 -8.719 12.016 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.347 -10.603 10.287 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.319 -11.296 11.569 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.961 -10.839 7.639 1.00 25.00 H new ATOM 0 HE2 MET A 100 -12.293 -10.333 7.996 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.862 -11.940 8.504 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.492 -6.589 10.024 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.077 -5.918 8.872 1.00 25.00 C ATOM 1708 C ALA A 101 -11.976 -5.256 8.028 1.00 25.00 C ATOM 1709 O ALA A 101 -12.075 -5.188 6.806 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.093 -4.871 9.343 1.00 25.00 C ATOM 0 H ALA A 101 -12.795 -6.224 10.927 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.590 -6.654 8.253 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.528 -4.371 8.478 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.882 -5.361 9.914 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.592 -4.136 9.973 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.922 -4.788 8.681 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.813 -4.156 7.982 1.00 25.00 C ATOM 1718 C ALA A 102 -8.924 -5.222 7.327 1.00 25.00 C ATOM 1719 O ALA A 102 -8.391 -4.992 6.257 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.003 -3.277 8.949 1.00 25.00 C ATOM 0 H ALA A 102 -10.812 -4.834 9.694 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.209 -3.514 7.195 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.177 -2.811 8.412 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.648 -2.503 9.365 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.609 -3.893 9.757 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.804 -6.396 7.937 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.027 -7.498 7.342 1.00 25.00 C ATOM 1728 C VAL A 103 -8.657 -7.846 5.997 1.00 25.00 C ATOM 1729 O VAL A 103 -7.973 -7.912 4.973 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.016 -8.781 8.261 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.280 -9.948 7.585 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.348 -8.486 9.613 1.00 25.00 C ATOM 0 H VAL A 103 -9.229 -6.617 8.838 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.993 -7.173 7.226 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.056 -9.062 8.424 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.291 -10.816 8.244 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.778 -10.198 6.648 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.249 -9.659 7.382 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.354 -9.387 10.226 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.319 -8.166 9.448 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.896 -7.695 10.125 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.974 -8.006 5.996 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.701 -8.328 4.774 1.00 25.00 C ATOM 1744 C ALA A 104 -10.584 -7.193 3.752 1.00 25.00 C ATOM 1745 O ALA A 104 -10.356 -7.435 2.570 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.172 -8.605 5.104 1.00 25.00 C ATOM 0 H ALA A 104 -10.560 -7.918 6.826 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.261 -9.222 4.332 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.711 -8.845 4.188 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.238 -9.446 5.795 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.614 -7.721 5.564 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.728 -5.956 4.206 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.616 -4.816 3.301 1.00 25.00 C ATOM 1754 C GLN A 105 -9.225 -4.709 2.693 1.00 25.00 C ATOM 1755 O GLN A 105 -9.101 -4.362 1.532 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.937 -3.503 4.013 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.423 -3.188 4.083 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.681 -1.756 4.497 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.528 -0.835 3.707 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.067 -1.559 5.728 1.00 25.00 N ATOM 0 H GLN A 105 -10.920 -5.716 5.179 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.342 -4.988 2.506 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.536 -3.543 5.026 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.427 -2.688 3.500 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.878 -3.371 3.110 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.903 -3.862 4.792 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.184 -2.352 6.359 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.252 -0.612 6.059 1.00 25.00 H new ATOM 1769 N THR A 106 -8.179 -5.002 3.454 1.00 25.00 N ATOM 1770 CA THR A 106 -6.824 -4.873 2.925 1.00 25.00 C ATOM 1771 C THR A 106 -6.640 -5.855 1.773 1.00 25.00 C ATOM 1772 O THR A 106 -6.107 -5.490 0.729 1.00 25.00 O ATOM 1773 CB THR A 106 -5.731 -5.141 3.988 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.014 -4.424 5.187 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.377 -4.669 3.496 1.00 25.00 C ATOM 0 H THR A 106 -8.237 -5.324 4.420 1.00 25.00 H new ATOM 0 HA THR A 106 -6.709 -3.842 2.591 1.00 25.00 H new ATOM 0 HB THR A 106 -5.719 -6.215 4.173 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.740 -4.870 5.671 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.624 -4.867 4.258 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.116 -5.202 2.581 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.416 -3.599 3.294 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.130 -7.082 1.932 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.039 -8.062 0.848 1.00 25.00 C ATOM 1785 C GLU A 107 -7.782 -7.560 -0.378 1.00 25.00 C ATOM 1786 O GLU A 107 -7.287 -7.665 -1.488 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.656 -9.411 1.229 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.879 -10.216 2.251 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.367 -11.666 2.332 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.291 -12.052 1.566 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.789 -12.437 3.128 1.00 25.00 O ATOM 0 H GLU A 107 -7.585 -7.419 2.781 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.976 -8.195 0.645 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.660 -9.236 1.616 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.763 -10.010 0.325 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.820 -10.204 1.993 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.974 -9.747 3.230 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.980 -7.032 -0.183 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.805 -6.583 -1.301 1.00 25.00 C ATOM 1800 C GLU A 108 -9.190 -5.398 -2.033 1.00 25.00 C ATOM 1801 O GLU A 108 -9.238 -5.332 -3.256 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.202 -6.204 -0.807 1.00 25.00 C ATOM 1803 CG GLU A 108 -12.065 -7.409 -0.440 1.00 25.00 C ATOM 1804 CD GLU A 108 -12.307 -8.325 -1.628 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -12.638 -7.810 -2.717 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -12.201 -9.560 -1.483 1.00 25.00 O ATOM 0 H GLU A 108 -9.405 -6.903 0.735 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.869 -7.414 -2.004 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -11.107 -5.556 0.064 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.708 -5.626 -1.581 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.580 -7.972 0.358 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -13.022 -7.063 -0.049 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.593 -4.474 -1.297 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.962 -3.304 -1.905 1.00 25.00 C ATOM 1815 C ILE A 109 -6.766 -3.762 -2.728 1.00 25.00 C ATOM 1816 O ILE A 109 -6.591 -3.319 -3.859 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.532 -2.265 -0.825 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.796 -1.650 -0.192 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.645 -1.144 -1.444 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.561 -0.935 1.132 1.00 25.00 C ATOM 0 H ILE A 109 -8.530 -4.507 -0.280 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.682 -2.807 -2.555 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.941 -2.772 -0.062 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -9.233 -0.944 -0.898 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.530 -2.441 -0.037 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -6.361 -0.434 -0.667 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.748 -1.587 -1.877 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -7.205 -0.625 -2.222 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.505 -0.535 1.502 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.156 -1.639 1.859 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.854 -0.119 0.984 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.979 -4.681 -2.191 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.813 -5.207 -2.907 1.00 25.00 C ATOM 1834 C LEU A 110 -5.263 -5.978 -4.148 1.00 25.00 C ATOM 1835 O LEU A 110 -4.695 -5.828 -5.218 1.00 25.00 O ATOM 1836 CB LEU A 110 -4.008 -6.137 -1.991 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.874 -5.540 -1.129 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -3.168 -4.149 -0.537 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.584 -6.520 0.010 1.00 25.00 C ATOM 0 H LEU A 110 -6.121 -5.082 -1.264 1.00 25.00 H new ATOM 0 HA LEU A 110 -4.184 -4.370 -3.212 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.712 -6.625 -1.317 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.571 -6.917 -2.615 1.00 25.00 H new ATOM 0 HG LEU A 110 -2.020 -5.396 -1.791 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.313 -3.816 0.051 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.351 -3.441 -1.345 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -4.049 -4.205 0.103 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.785 -6.123 0.637 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.483 -6.656 0.611 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.277 -7.480 -0.405 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.310 -6.778 -4.005 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.833 -7.591 -5.111 1.00 25.00 C ATOM 1853 C LYS A 111 -7.447 -6.752 -6.228 1.00 25.00 C ATOM 1854 O LYS A 111 -7.520 -7.195 -7.377 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.866 -8.568 -4.564 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.213 -9.842 -4.049 1.00 25.00 C ATOM 1857 CD LYS A 111 -8.105 -10.573 -3.081 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.414 -11.843 -2.595 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.977 -12.365 -1.303 1.00 25.00 N ATOM 0 H LYS A 111 -6.822 -6.887 -3.130 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.993 -8.127 -5.552 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.426 -8.094 -3.758 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.583 -8.816 -5.346 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.976 -10.495 -4.889 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.270 -9.596 -3.560 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.341 -9.930 -2.233 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -9.050 -10.824 -3.563 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.504 -12.614 -3.361 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.350 -11.644 -2.466 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -7.263 -12.276 -0.552 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -8.821 -11.815 -1.045 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.237 -13.366 -1.417 1.00 25.00 H new