USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 626 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 63 CYS SG : rot 164:sc= 0.747 USER MOD Set 1.2: A 66 CYS SG : rot -60:sc= -0.45! USER MOD Set 1.3: A 68 SER OG : rot 96:sc= 0.00185 USER MOD Set 1.4: A 89 SER OG : rot 98:sc= 1.28 USER MOD Set 1.5: A 90 CYS SG : rot -129:sc= -0.374 USER MOD Set 1.6: A 93 HIS : no HE2:sc= -1.33 K(o=-0.12,f=-0.95) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -155:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 73 GLN : amide:sc= 1.07 K(o=2.3,f=-6.3!) USER MOD Set 3.1: A 52 CYS SG : rot 154:sc= 1.5 USER MOD Set 3.2: A 55 CYS SG : rot -52:sc= 0.196 USER MOD Set 3.3: A 71 CYS SG : rot -140:sc= -1.13! USER MOD Set 3.4: A 74 HIS : no HE2:sc= -1.33 K(o=-0.76,f=-2.2) USER MOD Set 4.1: A 21 CYS SG : rot 142:sc= 0.315 USER MOD Set 4.2: A 26 CYS SG : rot 117:sc= 1.18 USER MOD Set 4.3: A 30 TYR OH : rot -151:sc= 0.024 USER MOD Set 4.4: A 47 CYS SG : rot -131:sc= -0.565 USER MOD Set 4.5: A 50 HIS :FLIP no HE2:sc= -0.634 F(o=-2.8,f=0.32) USER MOD Set 5.1: A 9 CYS SG : rot -140:sc= -1.52! USER MOD Set 5.2: A 12 CYS SG : rot 135:sc= 0.636 USER MOD Set 5.3: A 31 HIS : no HD1:sc= -0.607 X(o=-5.3,f=-5.7) USER MOD Set 5.4: A 34 CYS SG : rot 1:sc= -3.76! USER MOD Single : A 11 SER OG : rot 180:sc= -0.0678 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.032 (180deg=-0.229) USER MOD Single : A 23 LYS NZ :NH3+ -99:sc= 0.509 (180deg=-0.834!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0626 X(o=-0.063,f=-0.17) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= -0.0245 (180deg=-0.232) USER MOD Single : A 51 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.027) USER MOD Single : A 61 SER OG : rot 80:sc= -0.178 USER MOD Single : A 65 MET CE :methyl -156:sc= 0 (180deg=-0.622) USER MOD Single : A 69 SER OG : rot 47:sc= 1.05 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 170:sc= 0.905 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0514 (180deg=-0.31) USER MOD Single : A 91 THR OG1 : rot 67:sc= 0.39 USER MOD ----------------------------------------------------------------- ATOM 91 N ASP A 7 9.439 -9.659 3.220 1.00 0.54 N ATOM 92 CA ASP A 7 10.431 -10.048 2.218 1.00 0.53 C ATOM 93 C ASP A 7 9.799 -10.231 0.845 1.00 0.46 C ATOM 94 O ASP A 7 10.266 -11.040 0.043 1.00 0.55 O ATOM 95 CB ASP A 7 11.149 -11.344 2.622 1.00 0.71 C ATOM 96 CG ASP A 7 12.211 -11.129 3.680 1.00 1.68 C ATOM 97 OD1 ASP A 7 11.921 -11.363 4.873 1.00 2.36 O ATOM 98 OD2 ASP A 7 13.340 -10.722 3.330 1.00 2.34 O ATOM 0 HA ASP A 7 11.158 -9.237 2.164 1.00 0.53 H new ATOM 0 HB2 ASP A 7 10.415 -12.059 2.993 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.609 -11.788 1.739 1.00 0.71 H new ATOM 103 N GLU A 8 8.748 -9.475 0.574 1.00 0.37 N ATOM 104 CA GLU A 8 8.048 -9.567 -0.699 1.00 0.34 C ATOM 105 C GLU A 8 7.342 -8.249 -1.008 1.00 0.28 C ATOM 106 O GLU A 8 6.888 -7.559 -0.099 1.00 0.29 O ATOM 107 CB GLU A 8 7.039 -10.714 -0.644 1.00 0.42 C ATOM 108 CG GLU A 8 6.331 -10.981 -1.959 1.00 0.46 C ATOM 109 CD GLU A 8 5.329 -12.110 -1.856 1.00 0.60 C ATOM 110 OE1 GLU A 8 5.712 -13.276 -2.084 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.153 -11.841 -1.538 1.00 0.69 O ATOM 0 H GLU A 8 8.359 -8.788 1.220 1.00 0.37 H new ATOM 0 HA GLU A 8 8.768 -9.765 -1.493 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.554 -11.622 -0.330 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.293 -10.491 0.119 1.00 0.42 H new ATOM 0 HG2 GLU A 8 5.821 -10.074 -2.284 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.069 -11.223 -2.723 1.00 0.46 H new ATOM 118 N CYS A 9 7.221 -7.924 -2.290 1.00 0.27 N ATOM 119 CA CYS A 9 6.615 -6.669 -2.707 1.00 0.25 C ATOM 120 C CYS A 9 5.107 -6.804 -2.724 1.00 0.32 C ATOM 121 O CYS A 9 4.565 -7.642 -3.435 1.00 0.38 O ATOM 122 CB CYS A 9 7.085 -6.292 -4.112 1.00 0.26 C ATOM 123 SG CYS A 9 6.259 -4.843 -4.808 1.00 0.30 S ATOM 0 H CYS A 9 7.536 -8.515 -3.059 1.00 0.27 H new ATOM 0 HA CYS A 9 6.914 -5.895 -2.000 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.159 -6.106 -4.086 1.00 0.26 H new ATOM 0 HB3 CYS A 9 6.925 -7.141 -4.776 1.00 0.26 H new ATOM 0 HG CYS A 9 6.012 -5.047 -6.068 1.00 0.30 H new ATOM 128 N PHE A 10 4.434 -5.970 -1.953 1.00 0.33 N ATOM 129 CA PHE A 10 2.980 -6.011 -1.876 1.00 0.41 C ATOM 130 C PHE A 10 2.355 -5.466 -3.164 1.00 0.48 C ATOM 131 O PHE A 10 1.185 -5.711 -3.452 1.00 0.57 O ATOM 132 CB PHE A 10 2.503 -5.222 -0.650 1.00 0.41 C ATOM 133 CG PHE A 10 1.023 -5.298 -0.406 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.223 -4.174 -0.554 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.430 -6.495 -0.040 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.138 -4.246 -0.340 1.00 0.56 C ATOM 137 CE2 PHE A 10 -0.930 -6.569 0.177 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.708 -5.433 0.062 1.00 0.59 C ATOM 0 H PHE A 10 4.868 -5.255 -1.370 1.00 0.33 H new ATOM 0 HA PHE A 10 2.658 -7.047 -1.767 1.00 0.41 H new ATOM 0 HB2 PHE A 10 3.025 -5.593 0.232 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.786 -4.177 -0.772 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.670 -3.233 -0.840 1.00 0.50 H new ATOM 0 HD2 PHE A 10 1.039 -7.379 0.077 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.756 -3.372 -0.488 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.386 -7.513 0.436 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.763 -5.476 0.287 1.00 0.59 H new ATOM 148 N SER A 11 3.146 -4.744 -3.948 1.00 0.46 N ATOM 149 CA SER A 11 2.674 -4.202 -5.214 1.00 0.54 C ATOM 150 C SER A 11 2.623 -5.284 -6.294 1.00 0.57 C ATOM 151 O SER A 11 1.746 -5.266 -7.157 1.00 0.69 O ATOM 152 CB SER A 11 3.583 -3.062 -5.679 1.00 0.54 C ATOM 153 OG SER A 11 3.782 -2.111 -4.648 1.00 0.96 O ATOM 0 H SER A 11 4.117 -4.521 -3.729 1.00 0.46 H new ATOM 0 HA SER A 11 1.666 -3.820 -5.054 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.545 -3.466 -5.995 1.00 0.54 H new ATOM 0 HB3 SER A 11 3.142 -2.573 -6.548 1.00 0.54 H new ATOM 0 HG SER A 11 4.368 -1.395 -4.972 1.00 0.96 H new ATOM 159 N CYS A 12 3.557 -6.235 -6.235 1.00 0.48 N ATOM 160 CA CYS A 12 3.705 -7.206 -7.317 1.00 0.53 C ATOM 161 C CYS A 12 3.489 -8.647 -6.855 1.00 0.55 C ATOM 162 O CYS A 12 3.046 -9.492 -7.629 1.00 0.62 O ATOM 163 CB CYS A 12 5.103 -7.088 -7.925 1.00 0.51 C ATOM 164 SG CYS A 12 5.534 -5.417 -8.451 1.00 0.49 S ATOM 0 H CYS A 12 4.212 -6.352 -5.462 1.00 0.48 H new ATOM 0 HA CYS A 12 2.937 -6.976 -8.055 1.00 0.53 H new ATOM 0 HB2 CYS A 12 5.836 -7.428 -7.194 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.173 -7.757 -8.782 1.00 0.51 H new ATOM 0 HG CYS A 12 6.743 -5.138 -8.063 1.00 0.49 H new ATOM 169 N GLY A 13 3.780 -8.920 -5.592 1.00 0.51 N ATOM 170 CA GLY A 13 3.757 -10.288 -5.111 1.00 0.55 C ATOM 171 C GLY A 13 5.081 -10.985 -5.361 1.00 0.54 C ATOM 172 O GLY A 13 5.199 -12.198 -5.199 1.00 0.61 O ATOM 0 H GLY A 13 4.031 -8.222 -4.892 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.536 -10.296 -4.044 1.00 0.55 H new ATOM 0 HA3 GLY A 13 2.956 -10.836 -5.607 1.00 0.55 H new ATOM 176 N ASP A 14 6.080 -10.203 -5.757 1.00 0.49 N ATOM 177 CA ASP A 14 7.401 -10.732 -6.080 1.00 0.49 C ATOM 178 C ASP A 14 8.457 -10.134 -5.166 1.00 0.38 C ATOM 179 O ASP A 14 8.243 -9.085 -4.561 1.00 0.32 O ATOM 180 CB ASP A 14 7.763 -10.429 -7.536 1.00 0.55 C ATOM 181 CG ASP A 14 6.922 -11.201 -8.528 1.00 0.72 C ATOM 182 OD1 ASP A 14 5.943 -10.629 -9.055 1.00 0.81 O ATOM 183 OD2 ASP A 14 7.226 -12.384 -8.775 1.00 0.85 O ATOM 0 H ASP A 14 5.998 -9.192 -5.863 1.00 0.49 H new ATOM 0 HA ASP A 14 7.371 -11.812 -5.935 1.00 0.49 H new ATOM 0 HB2 ASP A 14 7.643 -9.361 -7.720 1.00 0.55 H new ATOM 0 HB3 ASP A 14 8.815 -10.664 -7.699 1.00 0.55 H new ATOM 188 N ALA A 15 9.595 -10.800 -5.069 1.00 0.41 N ATOM 189 CA ALA A 15 10.701 -10.318 -4.261 1.00 0.36 C ATOM 190 C ALA A 15 11.910 -10.015 -5.135 1.00 0.40 C ATOM 191 O ALA A 15 12.031 -10.537 -6.244 1.00 0.47 O ATOM 192 CB ALA A 15 11.058 -11.328 -3.188 1.00 0.42 C ATOM 0 H ALA A 15 9.777 -11.684 -5.545 1.00 0.41 H new ATOM 0 HA ALA A 15 10.391 -9.394 -3.772 1.00 0.36 H new ATOM 0 HB1 ALA A 15 11.889 -10.949 -2.593 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.195 -11.493 -2.543 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.347 -12.269 -3.656 1.00 0.42 H new ATOM 198 N GLY A 16 12.792 -9.160 -4.640 1.00 0.40 N ATOM 199 CA GLY A 16 13.958 -8.765 -5.403 1.00 0.48 C ATOM 200 C GLY A 16 14.489 -7.416 -4.965 1.00 0.49 C ATOM 201 O GLY A 16 14.955 -7.268 -3.834 1.00 1.04 O ATOM 0 H GLY A 16 12.720 -8.730 -3.718 1.00 0.40 H new ATOM 0 HA2 GLY A 16 14.739 -9.517 -5.288 1.00 0.48 H new ATOM 0 HA3 GLY A 16 13.703 -8.728 -6.462 1.00 0.48 H new ATOM 205 N GLN A 17 14.399 -6.433 -5.851 1.00 0.52 N ATOM 206 CA GLN A 17 14.871 -5.077 -5.568 1.00 0.49 C ATOM 207 C GLN A 17 13.862 -4.331 -4.696 1.00 0.39 C ATOM 208 O GLN A 17 13.086 -3.507 -5.186 1.00 0.41 O ATOM 209 CB GLN A 17 15.084 -4.325 -6.884 1.00 0.61 C ATOM 210 CG GLN A 17 15.670 -2.932 -6.719 1.00 0.67 C ATOM 211 CD GLN A 17 15.701 -2.159 -8.024 1.00 0.93 C ATOM 212 OE1 GLN A 17 15.809 -2.741 -9.104 1.00 1.56 O ATOM 213 NE2 GLN A 17 15.607 -0.841 -7.935 1.00 1.52 N ATOM 0 H GLN A 17 14.000 -6.548 -6.782 1.00 0.52 H new ATOM 0 HA GLN A 17 15.816 -5.136 -5.028 1.00 0.49 H new ATOM 0 HB2 GLN A 17 15.745 -4.912 -7.522 1.00 0.61 H new ATOM 0 HB3 GLN A 17 14.129 -4.246 -7.403 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.083 -2.378 -5.986 1.00 0.67 H new ATOM 0 HG3 GLN A 17 16.682 -3.011 -6.323 1.00 0.67 H new ATOM 0 HE21 GLN A 17 15.519 -0.397 -7.021 1.00 1.52 H new ATOM 0 HE22 GLN A 17 15.623 -0.270 -8.780 1.00 1.52 H new ATOM 222 N LEU A 18 13.871 -4.621 -3.405 1.00 0.34 N ATOM 223 CA LEU A 18 12.883 -4.060 -2.497 1.00 0.27 C ATOM 224 C LEU A 18 13.430 -2.870 -1.709 1.00 0.31 C ATOM 225 O LEU A 18 14.605 -2.827 -1.338 1.00 0.42 O ATOM 226 CB LEU A 18 12.384 -5.136 -1.527 1.00 0.24 C ATOM 227 CG LEU A 18 11.697 -6.336 -2.179 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.481 -7.450 -1.170 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.373 -5.920 -2.787 1.00 0.17 C ATOM 0 H LEU A 18 14.550 -5.240 -2.963 1.00 0.34 H new ATOM 0 HA LEU A 18 12.055 -3.700 -3.107 1.00 0.27 H new ATOM 0 HB2 LEU A 18 13.231 -5.496 -0.943 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.687 -4.675 -0.827 1.00 0.24 H new ATOM 0 HG LEU A 18 12.347 -6.710 -2.970 1.00 0.21 H new ATOM 0 HD11 LEU A 18 10.991 -8.293 -1.658 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.443 -7.771 -0.771 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.854 -7.087 -0.356 1.00 0.25 H new ATOM 0 HD21 LEU A 18 9.896 -6.785 -3.247 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.724 -5.520 -2.008 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.545 -5.155 -3.544 1.00 0.17 H new ATOM 241 N VAL A 19 12.552 -1.906 -1.485 1.00 0.29 N ATOM 242 CA VAL A 19 12.808 -0.777 -0.610 1.00 0.32 C ATOM 243 C VAL A 19 11.708 -0.728 0.449 1.00 0.30 C ATOM 244 O VAL A 19 10.518 -0.794 0.125 1.00 0.27 O ATOM 245 CB VAL A 19 12.867 0.561 -1.394 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.611 0.773 -2.229 1.00 0.34 C ATOM 247 CG2 VAL A 19 13.092 1.736 -0.450 1.00 0.42 C ATOM 0 H VAL A 19 11.627 -1.887 -1.914 1.00 0.29 H new ATOM 0 HA VAL A 19 13.782 -0.909 -0.139 1.00 0.32 H new ATOM 0 HB VAL A 19 13.714 0.504 -2.077 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.686 1.719 -2.765 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.508 -0.042 -2.945 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.739 0.794 -1.575 1.00 0.34 H new ATOM 0 HG21 VAL A 19 13.130 2.662 -1.024 1.00 0.42 H new ATOM 0 HG22 VAL A 19 12.274 1.787 0.268 1.00 0.42 H new ATOM 0 HG23 VAL A 19 14.034 1.600 0.082 1.00 0.42 H new ATOM 257 N SER A 20 12.096 -0.653 1.709 1.00 0.34 N ATOM 258 CA SER A 20 11.135 -0.754 2.793 1.00 0.33 C ATOM 259 C SER A 20 10.734 0.615 3.323 1.00 0.33 C ATOM 260 O SER A 20 11.509 1.574 3.284 1.00 0.35 O ATOM 261 CB SER A 20 11.701 -1.619 3.923 1.00 0.39 C ATOM 262 OG SER A 20 10.732 -1.858 4.934 1.00 0.47 O ATOM 0 H SER A 20 13.063 -0.523 2.006 1.00 0.34 H new ATOM 0 HA SER A 20 10.237 -1.227 2.396 1.00 0.33 H new ATOM 0 HB2 SER A 20 12.046 -2.570 3.516 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.569 -1.126 4.360 1.00 0.39 H new ATOM 0 HG SER A 20 11.125 -2.414 5.639 1.00 0.47 H new ATOM 268 N CYS A 21 9.505 0.682 3.816 1.00 0.33 N ATOM 269 CA CYS A 21 8.968 1.891 4.410 1.00 0.35 C ATOM 270 C CYS A 21 9.542 2.051 5.811 1.00 0.40 C ATOM 271 O CYS A 21 9.245 1.254 6.700 1.00 0.43 O ATOM 272 CB CYS A 21 7.448 1.781 4.478 1.00 0.37 C ATOM 273 SG CYS A 21 6.577 3.325 4.809 1.00 0.34 S ATOM 0 H CYS A 21 8.854 -0.103 3.814 1.00 0.33 H new ATOM 0 HA CYS A 21 9.238 2.759 3.808 1.00 0.35 H new ATOM 0 HB2 CYS A 21 7.087 1.375 3.533 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.187 1.062 5.254 1.00 0.37 H new ATOM 0 HG CYS A 21 5.477 3.360 4.117 1.00 0.34 H new ATOM 278 N LYS A 22 10.356 3.078 6.010 1.00 0.52 N ATOM 279 CA LYS A 22 11.041 3.277 7.281 1.00 0.61 C ATOM 280 C LYS A 22 10.131 3.976 8.288 1.00 0.63 C ATOM 281 O LYS A 22 10.576 4.798 9.092 1.00 0.78 O ATOM 282 CB LYS A 22 12.327 4.073 7.058 1.00 0.74 C ATOM 283 CG LYS A 22 13.306 3.366 6.133 1.00 1.35 C ATOM 284 CD LYS A 22 14.540 4.209 5.863 1.00 1.65 C ATOM 285 CE LYS A 22 15.512 3.494 4.935 1.00 2.25 C ATOM 286 NZ LYS A 22 14.892 3.166 3.622 1.00 2.79 N ATOM 0 H LYS A 22 10.559 3.788 5.306 1.00 0.52 H new ATOM 0 HA LYS A 22 11.301 2.303 7.695 1.00 0.61 H new ATOM 0 HB2 LYS A 22 12.077 5.048 6.639 1.00 0.74 H new ATOM 0 HB3 LYS A 22 12.808 4.253 8.019 1.00 0.74 H new ATOM 0 HG2 LYS A 22 13.605 2.417 6.578 1.00 1.35 H new ATOM 0 HG3 LYS A 22 12.811 3.134 5.190 1.00 1.35 H new ATOM 0 HD2 LYS A 22 14.243 5.159 5.418 1.00 1.65 H new ATOM 0 HD3 LYS A 22 15.038 4.440 6.805 1.00 1.65 H new ATOM 0 HE2 LYS A 22 16.389 4.122 4.775 1.00 2.25 H new ATOM 0 HE3 LYS A 22 15.859 2.577 5.411 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 15.635 2.901 2.944 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 14.231 2.372 3.739 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 14.376 3.996 3.265 1.00 2.79 H new ATOM 300 N LYS A 23 8.859 3.620 8.246 1.00 0.60 N ATOM 301 CA LYS A 23 7.862 4.192 9.130 1.00 0.66 C ATOM 302 C LYS A 23 7.374 3.131 10.109 1.00 0.65 C ATOM 303 O LYS A 23 6.879 2.084 9.687 1.00 0.61 O ATOM 304 CB LYS A 23 6.676 4.714 8.313 1.00 0.75 C ATOM 305 CG LYS A 23 5.704 5.563 9.119 1.00 1.23 C ATOM 306 CD LYS A 23 4.495 5.974 8.293 1.00 1.50 C ATOM 307 CE LYS A 23 3.650 7.008 9.018 1.00 1.95 C ATOM 308 NZ LYS A 23 4.372 8.298 9.164 1.00 2.27 N ATOM 0 H LYS A 23 8.489 2.925 7.597 1.00 0.60 H new ATOM 0 HA LYS A 23 8.310 5.018 9.682 1.00 0.66 H new ATOM 0 HB2 LYS A 23 7.053 5.304 7.478 1.00 0.75 H new ATOM 0 HB3 LYS A 23 6.138 3.867 7.888 1.00 0.75 H new ATOM 0 HG2 LYS A 23 5.373 5.005 9.995 1.00 1.23 H new ATOM 0 HG3 LYS A 23 6.215 6.454 9.483 1.00 1.23 H new ATOM 0 HD2 LYS A 23 4.827 6.379 7.337 1.00 1.50 H new ATOM 0 HD3 LYS A 23 3.888 5.096 8.073 1.00 1.50 H new ATOM 0 HE2 LYS A 23 2.722 7.170 8.470 1.00 1.95 H new ATOM 0 HE3 LYS A 23 3.377 6.630 10.003 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 4.781 8.361 10.118 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 5.132 8.352 8.457 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 3.708 9.086 9.020 1.00 2.27 H new ATOM 322 N PRO A 24 7.524 3.370 11.423 1.00 0.77 N ATOM 323 CA PRO A 24 7.029 2.444 12.446 1.00 0.83 C ATOM 324 C PRO A 24 5.545 2.146 12.260 1.00 0.80 C ATOM 325 O PRO A 24 4.735 3.064 12.105 1.00 0.86 O ATOM 326 CB PRO A 24 7.265 3.196 13.759 1.00 1.01 C ATOM 327 CG PRO A 24 8.370 4.144 13.457 1.00 1.18 C ATOM 328 CD PRO A 24 8.185 4.547 12.016 1.00 0.93 C ATOM 0 HA PRO A 24 7.531 1.477 12.407 1.00 0.83 H new ATOM 0 HB2 PRO A 24 6.367 3.724 14.080 1.00 1.01 H new ATOM 0 HB3 PRO A 24 7.538 2.513 14.563 1.00 1.01 H new ATOM 0 HG2 PRO A 24 8.330 5.013 14.114 1.00 1.18 H new ATOM 0 HG3 PRO A 24 9.341 3.673 13.610 1.00 1.18 H new ATOM 0 HD2 PRO A 24 7.572 5.443 11.923 1.00 0.93 H new ATOM 0 HD3 PRO A 24 9.138 4.761 11.532 1.00 0.93 H new ATOM 336 N GLY A 25 5.196 0.867 12.268 1.00 0.76 N ATOM 337 CA GLY A 25 3.821 0.476 12.046 1.00 0.75 C ATOM 338 C GLY A 25 3.589 -0.049 10.642 1.00 0.65 C ATOM 339 O GLY A 25 2.555 -0.660 10.364 1.00 0.83 O ATOM 0 H GLY A 25 5.842 0.093 12.425 1.00 0.76 H new ATOM 0 HA2 GLY A 25 3.543 -0.291 12.769 1.00 0.75 H new ATOM 0 HA3 GLY A 25 3.170 1.332 12.223 1.00 0.75 H new ATOM 343 N CYS A 26 4.553 0.183 9.758 1.00 0.48 N ATOM 344 CA CYS A 26 4.459 -0.262 8.377 1.00 0.39 C ATOM 345 C CYS A 26 5.500 -1.348 8.106 1.00 0.34 C ATOM 346 O CYS A 26 6.685 -1.055 7.955 1.00 0.40 O ATOM 347 CB CYS A 26 4.708 0.933 7.462 1.00 0.44 C ATOM 348 SG CYS A 26 4.066 0.780 5.779 1.00 0.35 S ATOM 0 H CYS A 26 5.415 0.682 9.979 1.00 0.48 H new ATOM 0 HA CYS A 26 3.468 -0.675 8.189 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.265 1.817 7.921 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.783 1.107 7.407 1.00 0.44 H new ATOM 0 HG CYS A 26 3.161 1.691 5.575 1.00 0.35 H new ATOM 353 N PRO A 27 5.073 -2.616 8.029 1.00 0.37 N ATOM 354 CA PRO A 27 5.972 -3.743 7.807 1.00 0.45 C ATOM 355 C PRO A 27 6.095 -4.106 6.331 1.00 0.45 C ATOM 356 O PRO A 27 6.600 -5.171 5.979 1.00 0.66 O ATOM 357 CB PRO A 27 5.260 -4.856 8.574 1.00 0.57 C ATOM 358 CG PRO A 27 3.804 -4.565 8.387 1.00 0.57 C ATOM 359 CD PRO A 27 3.679 -3.068 8.180 1.00 0.44 C ATOM 0 HA PRO A 27 6.995 -3.545 8.127 1.00 0.45 H new ATOM 0 HB2 PRO A 27 5.522 -5.839 8.182 1.00 0.57 H new ATOM 0 HB3 PRO A 27 5.534 -4.850 9.629 1.00 0.57 H new ATOM 0 HG2 PRO A 27 3.408 -5.108 7.529 1.00 0.57 H new ATOM 0 HG3 PRO A 27 3.231 -4.884 9.258 1.00 0.57 H new ATOM 0 HD2 PRO A 27 3.085 -2.835 7.296 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.192 -2.586 9.028 1.00 0.44 H new ATOM 367 N LYS A 28 5.642 -3.207 5.472 1.00 0.30 N ATOM 368 CA LYS A 28 5.535 -3.506 4.053 1.00 0.30 C ATOM 369 C LYS A 28 6.779 -3.072 3.286 1.00 0.27 C ATOM 370 O LYS A 28 7.520 -2.181 3.715 1.00 0.31 O ATOM 371 CB LYS A 28 4.283 -2.844 3.469 1.00 0.32 C ATOM 372 CG LYS A 28 3.284 -3.838 2.885 1.00 0.42 C ATOM 373 CD LYS A 28 2.906 -4.913 3.896 1.00 0.52 C ATOM 374 CE LYS A 28 1.803 -5.811 3.370 1.00 0.70 C ATOM 375 NZ LYS A 28 1.593 -6.992 4.245 1.00 1.00 N ATOM 0 H LYS A 28 5.343 -2.267 5.731 1.00 0.30 H new ATOM 0 HA LYS A 28 5.450 -4.587 3.946 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.791 -2.263 4.249 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.582 -2.142 2.690 1.00 0.32 H new ATOM 0 HG2 LYS A 28 2.387 -3.308 2.565 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.712 -4.306 1.998 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.783 -5.515 4.134 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.581 -4.442 4.824 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.876 -5.243 3.296 1.00 0.70 H new ATOM 0 HE3 LYS A 28 2.054 -6.144 2.363 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.832 -7.583 3.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 2.471 -7.547 4.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 1.329 -6.674 5.199 1.00 1.00 H new ATOM 389 N VAL A 29 6.998 -3.716 2.146 1.00 0.23 N ATOM 390 CA VAL A 29 8.149 -3.440 1.309 1.00 0.20 C ATOM 391 C VAL A 29 7.735 -3.526 -0.162 1.00 0.18 C ATOM 392 O VAL A 29 6.819 -4.278 -0.513 1.00 0.21 O ATOM 393 CB VAL A 29 9.301 -4.425 1.618 1.00 0.22 C ATOM 394 CG1 VAL A 29 9.048 -5.792 1.018 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.630 -3.875 1.157 1.00 0.44 C ATOM 0 H VAL A 29 6.382 -4.442 1.780 1.00 0.23 H new ATOM 0 HA VAL A 29 8.513 -2.434 1.518 1.00 0.20 H new ATOM 0 HB VAL A 29 9.339 -4.543 2.701 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.880 -6.454 1.258 1.00 0.31 H new ATOM 0 HG12 VAL A 29 8.126 -6.204 1.428 1.00 0.31 H new ATOM 0 HG13 VAL A 29 8.955 -5.703 -0.064 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.420 -4.590 1.388 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.599 -3.704 0.081 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.832 -2.934 1.669 1.00 0.44 H new ATOM 405 N TYR A 30 8.375 -2.735 -1.012 1.00 0.19 N ATOM 406 CA TYR A 30 7.995 -2.657 -2.419 1.00 0.20 C ATOM 407 C TYR A 30 9.241 -2.515 -3.276 1.00 0.20 C ATOM 408 O TYR A 30 10.315 -2.250 -2.762 1.00 0.21 O ATOM 409 CB TYR A 30 7.096 -1.438 -2.668 1.00 0.29 C ATOM 410 CG TYR A 30 6.022 -1.213 -1.623 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.795 -1.863 -1.710 1.00 0.44 C ATOM 412 CD2 TYR A 30 6.233 -0.355 -0.553 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.813 -1.660 -0.764 1.00 0.55 C ATOM 414 CE2 TYR A 30 5.255 -0.151 0.400 1.00 0.57 C ATOM 415 CZ TYR A 30 4.060 -0.796 0.299 1.00 0.60 C ATOM 416 OH TYR A 30 3.067 -0.596 1.227 1.00 0.72 O ATOM 0 H TYR A 30 9.160 -2.137 -0.753 1.00 0.19 H new ATOM 0 HA TYR A 30 7.455 -3.567 -2.678 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.723 -0.548 -2.721 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.618 -1.550 -3.641 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.609 -2.538 -2.532 1.00 0.44 H new ATOM 0 HD2 TYR A 30 7.177 0.161 -0.464 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.862 -2.166 -0.847 1.00 0.55 H new ATOM 0 HE2 TYR A 30 5.438 0.520 1.226 1.00 0.57 H new ATOM 0 HH TYR A 30 3.155 0.301 1.612 1.00 0.72 H new ATOM 426 N HIS A 31 9.098 -2.692 -4.580 1.00 0.23 N ATOM 427 CA HIS A 31 10.200 -2.416 -5.494 1.00 0.26 C ATOM 428 C HIS A 31 10.197 -0.937 -5.808 1.00 0.32 C ATOM 429 O HIS A 31 9.145 -0.349 -6.051 1.00 0.35 O ATOM 430 CB HIS A 31 10.074 -3.192 -6.814 1.00 0.28 C ATOM 431 CG HIS A 31 9.930 -4.669 -6.666 1.00 0.26 C ATOM 432 ND1 HIS A 31 8.819 -5.324 -7.123 1.00 0.30 N ATOM 433 CD2 HIS A 31 10.785 -5.565 -6.129 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.011 -6.602 -6.849 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.197 -6.802 -6.248 1.00 0.28 N ATOM 0 H HIS A 31 8.242 -3.021 -5.027 1.00 0.23 H new ATOM 0 HA HIS A 31 11.125 -2.729 -5.009 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.212 -2.811 -7.361 1.00 0.28 H new ATOM 0 HB3 HIS A 31 10.954 -2.987 -7.424 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.748 -5.351 -5.689 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.305 -7.386 -7.079 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.584 -7.695 -5.941 1.00 0.28 H new ATOM 443 N ALA A 32 11.371 -0.335 -5.803 1.00 0.38 N ATOM 444 CA ALA A 32 11.502 1.063 -6.160 1.00 0.45 C ATOM 445 C ALA A 32 11.055 1.277 -7.600 1.00 0.48 C ATOM 446 O ALA A 32 10.531 2.333 -7.954 1.00 0.55 O ATOM 447 CB ALA A 32 12.935 1.526 -5.963 1.00 0.53 C ATOM 0 H ALA A 32 12.248 -0.793 -5.555 1.00 0.38 H new ATOM 0 HA ALA A 32 10.862 1.658 -5.508 1.00 0.45 H new ATOM 0 HB1 ALA A 32 13.018 2.578 -6.235 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.218 1.398 -4.918 1.00 0.53 H new ATOM 0 HB3 ALA A 32 13.598 0.935 -6.594 1.00 0.53 H new ATOM 453 N ASP A 33 11.266 0.251 -8.416 1.00 0.48 N ATOM 454 CA ASP A 33 10.920 0.304 -9.828 1.00 0.55 C ATOM 455 C ASP A 33 9.409 0.379 -10.043 1.00 0.54 C ATOM 456 O ASP A 33 8.931 1.225 -10.796 1.00 0.62 O ATOM 457 CB ASP A 33 11.495 -0.902 -10.570 1.00 0.60 C ATOM 458 CG ASP A 33 11.254 -0.815 -12.060 1.00 1.35 C ATOM 459 OD1 ASP A 33 10.302 -1.460 -12.548 1.00 1.90 O ATOM 460 OD2 ASP A 33 12.006 -0.098 -12.752 1.00 2.01 O ATOM 0 H ASP A 33 11.678 -0.633 -8.119 1.00 0.48 H new ATOM 0 HA ASP A 33 11.360 1.216 -10.232 1.00 0.55 H new ATOM 0 HB2 ASP A 33 12.566 -0.969 -10.379 1.00 0.60 H new ATOM 0 HB3 ASP A 33 11.044 -1.816 -10.182 1.00 0.60 H new ATOM 465 N CYS A 34 8.653 -0.486 -9.368 1.00 0.48 N ATOM 466 CA CYS A 34 7.207 -0.543 -9.575 1.00 0.52 C ATOM 467 C CYS A 34 6.522 0.679 -8.971 1.00 0.56 C ATOM 468 O CYS A 34 5.427 1.059 -9.386 1.00 0.67 O ATOM 469 CB CYS A 34 6.617 -1.841 -8.999 1.00 0.50 C ATOM 470 SG CYS A 34 7.130 -2.220 -7.310 1.00 0.44 S ATOM 0 H CYS A 34 9.012 -1.149 -8.681 1.00 0.48 H new ATOM 0 HA CYS A 34 7.023 -0.538 -10.649 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.529 -1.773 -9.027 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.901 -2.671 -9.645 1.00 0.50 H new ATOM 0 HG CYS A 34 7.911 -1.278 -6.872 1.00 0.44 H new ATOM 475 N LEU A 35 7.177 1.303 -8.000 1.00 0.52 N ATOM 476 CA LEU A 35 6.665 2.529 -7.407 1.00 0.58 C ATOM 477 C LEU A 35 7.052 3.741 -8.249 1.00 0.67 C ATOM 478 O LEU A 35 6.610 4.861 -7.987 1.00 0.74 O ATOM 479 CB LEU A 35 7.207 2.708 -5.993 1.00 0.55 C ATOM 480 CG LEU A 35 6.828 1.624 -4.988 1.00 0.49 C ATOM 481 CD1 LEU A 35 7.522 1.893 -3.670 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.323 1.566 -4.788 1.00 0.54 C ATOM 0 H LEU A 35 8.062 0.980 -7.608 1.00 0.52 H new ATOM 0 HA LEU A 35 5.578 2.451 -7.371 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.294 2.762 -6.046 1.00 0.55 H new ATOM 0 HB3 LEU A 35 6.859 3.668 -5.611 1.00 0.55 H new ATOM 0 HG LEU A 35 7.150 0.659 -5.378 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.252 1.119 -2.952 1.00 0.48 H new ATOM 0 HD12 LEU A 35 8.602 1.888 -3.820 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.213 2.866 -3.288 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.082 0.785 -4.067 1.00 0.54 H new ATOM 0 HD22 LEU A 35 4.968 2.527 -4.415 1.00 0.54 H new ATOM 0 HD23 LEU A 35 4.838 1.345 -5.739 1.00 0.54 H new ATOM 494 N ASN A 36 7.882 3.491 -9.264 1.00 0.68 N ATOM 495 CA ASN A 36 8.379 4.530 -10.163 1.00 0.77 C ATOM 496 C ASN A 36 9.170 5.572 -9.377 1.00 0.78 C ATOM 497 O ASN A 36 9.045 6.774 -9.604 1.00 0.87 O ATOM 498 CB ASN A 36 7.221 5.183 -10.933 1.00 0.86 C ATOM 499 CG ASN A 36 7.678 5.949 -12.165 1.00 1.46 C ATOM 500 OD1 ASN A 36 7.934 7.153 -12.111 1.00 2.09 O ATOM 501 ND2 ASN A 36 7.777 5.257 -13.287 1.00 2.13 N ATOM 0 H ASN A 36 8.229 2.557 -9.485 1.00 0.68 H new ATOM 0 HA ASN A 36 9.046 4.070 -10.892 1.00 0.77 H new ATOM 0 HB2 ASN A 36 6.513 4.411 -11.235 1.00 0.86 H new ATOM 0 HB3 ASN A 36 6.688 5.862 -10.268 1.00 0.86 H new ATOM 0 HD21 ASN A 36 8.074 5.719 -14.147 1.00 2.13 H new ATOM 0 HD22 ASN A 36 7.557 4.261 -13.293 1.00 2.13 H new ATOM 508 N LEU A 37 9.976 5.101 -8.434 1.00 0.71 N ATOM 509 CA LEU A 37 10.811 5.984 -7.636 1.00 0.75 C ATOM 510 C LEU A 37 12.012 6.446 -8.449 1.00 0.83 C ATOM 511 O LEU A 37 12.996 5.720 -8.588 1.00 0.88 O ATOM 512 CB LEU A 37 11.292 5.287 -6.359 1.00 0.69 C ATOM 513 CG LEU A 37 10.202 4.948 -5.335 1.00 0.69 C ATOM 514 CD1 LEU A 37 10.812 4.298 -4.103 1.00 0.69 C ATOM 515 CD2 LEU A 37 9.426 6.194 -4.939 1.00 0.78 C ATOM 0 H LEU A 37 10.068 4.111 -8.204 1.00 0.71 H new ATOM 0 HA LEU A 37 10.209 6.847 -7.352 1.00 0.75 H new ATOM 0 HB2 LEU A 37 11.800 4.365 -6.640 1.00 0.69 H new ATOM 0 HB3 LEU A 37 12.033 5.925 -5.876 1.00 0.69 H new ATOM 0 HG LEU A 37 9.511 4.244 -5.798 1.00 0.69 H new ATOM 0 HD11 LEU A 37 10.024 4.064 -3.387 1.00 0.69 H new ATOM 0 HD12 LEU A 37 11.324 3.380 -4.392 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.526 4.983 -3.646 1.00 0.69 H new ATOM 0 HD21 LEU A 37 8.658 5.929 -4.212 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.107 6.922 -4.498 1.00 0.78 H new ATOM 0 HD23 LEU A 37 8.955 6.626 -5.822 1.00 0.78 H new ATOM 527 N THR A 38 11.910 7.638 -9.017 1.00 0.91 N ATOM 528 CA THR A 38 13.012 8.225 -9.759 1.00 1.03 C ATOM 529 C THR A 38 14.137 8.635 -8.809 1.00 1.04 C ATOM 530 O THR A 38 15.314 8.375 -9.064 1.00 1.14 O ATOM 531 CB THR A 38 12.534 9.450 -10.556 1.00 1.16 C ATOM 532 OG1 THR A 38 11.326 9.125 -11.260 1.00 1.43 O ATOM 533 CG2 THR A 38 13.598 9.906 -11.545 1.00 1.59 C ATOM 0 H THR A 38 11.072 8.218 -8.977 1.00 0.91 H new ATOM 0 HA THR A 38 13.390 7.476 -10.455 1.00 1.03 H new ATOM 0 HB THR A 38 12.345 10.264 -9.856 1.00 1.16 H new ATOM 0 HG1 THR A 38 11.022 9.907 -11.766 1.00 1.43 H new ATOM 0 HG21 THR A 38 13.235 10.774 -12.096 1.00 1.59 H new ATOM 0 HG22 THR A 38 14.506 10.173 -11.005 1.00 1.59 H new ATOM 0 HG23 THR A 38 13.816 9.098 -12.243 1.00 1.59 H new ATOM 541 N LYS A 39 13.758 9.255 -7.702 1.00 0.99 N ATOM 542 CA LYS A 39 14.713 9.706 -6.703 1.00 1.02 C ATOM 543 C LYS A 39 14.563 8.878 -5.436 1.00 0.94 C ATOM 544 O LYS A 39 13.479 8.823 -4.853 1.00 0.96 O ATOM 545 CB LYS A 39 14.494 11.189 -6.382 1.00 1.12 C ATOM 546 CG LYS A 39 14.695 12.117 -7.572 1.00 1.57 C ATOM 547 CD LYS A 39 16.158 12.197 -7.976 1.00 1.98 C ATOM 548 CE LYS A 39 16.366 13.119 -9.169 1.00 2.58 C ATOM 549 NZ LYS A 39 17.802 13.244 -9.532 1.00 3.17 N ATOM 0 H LYS A 39 12.785 9.459 -7.472 1.00 0.99 H new ATOM 0 HA LYS A 39 15.720 9.580 -7.101 1.00 1.02 H new ATOM 0 HB2 LYS A 39 13.482 11.321 -5.998 1.00 1.12 H new ATOM 0 HB3 LYS A 39 15.178 11.483 -5.586 1.00 1.12 H new ATOM 0 HG2 LYS A 39 14.103 11.762 -8.415 1.00 1.57 H new ATOM 0 HG3 LYS A 39 14.330 13.114 -7.323 1.00 1.57 H new ATOM 0 HD2 LYS A 39 16.749 12.555 -7.133 1.00 1.98 H new ATOM 0 HD3 LYS A 39 16.523 11.199 -8.220 1.00 1.98 H new ATOM 0 HE2 LYS A 39 15.808 12.737 -10.024 1.00 2.58 H new ATOM 0 HE3 LYS A 39 15.963 14.105 -8.940 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 17.899 13.880 -10.349 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 18.331 13.632 -8.725 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 18.181 12.307 -9.776 1.00 3.17 H new ATOM 563 N ARG A 40 15.640 8.225 -5.023 1.00 0.97 N ATOM 564 CA ARG A 40 15.620 7.416 -3.811 1.00 0.95 C ATOM 565 C ARG A 40 15.412 8.300 -2.583 1.00 0.91 C ATOM 566 O ARG A 40 16.230 9.180 -2.299 1.00 1.01 O ATOM 567 CB ARG A 40 16.921 6.619 -3.681 1.00 1.10 C ATOM 568 CG ARG A 40 16.998 5.772 -2.419 1.00 1.80 C ATOM 569 CD ARG A 40 18.235 4.889 -2.415 1.00 1.93 C ATOM 570 NE ARG A 40 18.190 3.881 -3.473 1.00 2.49 N ATOM 571 CZ ARG A 40 19.244 3.175 -3.877 1.00 2.88 C ATOM 572 NH1 ARG A 40 20.438 3.383 -3.336 1.00 2.66 N ATOM 573 NH2 ARG A 40 19.102 2.262 -4.829 1.00 3.84 N ATOM 0 H ARG A 40 16.537 8.239 -5.508 1.00 0.97 H new ATOM 0 HA ARG A 40 14.788 6.714 -3.876 1.00 0.95 H new ATOM 0 HB2 ARG A 40 17.027 5.970 -4.550 1.00 1.10 H new ATOM 0 HB3 ARG A 40 17.763 7.311 -3.695 1.00 1.10 H new ATOM 0 HG2 ARG A 40 17.011 6.422 -1.544 1.00 1.80 H new ATOM 0 HG3 ARG A 40 16.106 5.151 -2.342 1.00 1.80 H new ATOM 0 HD2 ARG A 40 19.123 5.508 -2.541 1.00 1.93 H new ATOM 0 HD3 ARG A 40 18.325 4.396 -1.447 1.00 1.93 H new ATOM 0 HE ARG A 40 17.295 3.708 -3.930 1.00 2.49 H new ATOM 0 HH11 ARG A 40 20.552 4.087 -2.607 1.00 2.66 H new ATOM 0 HH12 ARG A 40 21.242 2.839 -3.650 1.00 2.66 H new ATOM 0 HH21 ARG A 40 18.187 2.102 -5.250 1.00 3.84 H new ATOM 0 HH22 ARG A 40 19.908 1.720 -5.140 1.00 3.84 H new ATOM 587 N PRO A 41 14.310 8.087 -1.847 1.00 0.85 N ATOM 588 CA PRO A 41 13.970 8.901 -0.676 1.00 0.87 C ATOM 589 C PRO A 41 14.955 8.712 0.472 1.00 0.96 C ATOM 590 O PRO A 41 15.415 7.598 0.735 1.00 1.05 O ATOM 591 CB PRO A 41 12.583 8.393 -0.276 1.00 0.88 C ATOM 592 CG PRO A 41 12.517 7.007 -0.813 1.00 0.96 C ATOM 593 CD PRO A 41 13.307 7.032 -2.094 1.00 0.86 C ATOM 0 HA PRO A 41 14.000 9.967 -0.903 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.454 8.405 0.806 1.00 0.88 H new ATOM 0 HB3 PRO A 41 11.796 9.018 -0.697 1.00 0.88 H new ATOM 0 HG2 PRO A 41 12.939 6.292 -0.106 1.00 0.96 H new ATOM 0 HG3 PRO A 41 11.485 6.705 -0.994 1.00 0.96 H new ATOM 0 HD2 PRO A 41 13.776 6.069 -2.297 1.00 0.86 H new ATOM 0 HD3 PRO A 41 12.677 7.267 -2.952 1.00 0.86 H new ATOM 601 N ALA A 42 15.274 9.801 1.152 1.00 1.05 N ATOM 602 CA ALA A 42 16.194 9.763 2.275 1.00 1.18 C ATOM 603 C ALA A 42 15.502 10.246 3.545 1.00 1.15 C ATOM 604 O ALA A 42 14.858 11.296 3.547 1.00 1.21 O ATOM 605 CB ALA A 42 17.420 10.613 1.980 1.00 1.41 C ATOM 0 H ALA A 42 14.906 10.729 0.943 1.00 1.05 H new ATOM 0 HA ALA A 42 16.515 8.733 2.429 1.00 1.18 H new ATOM 0 HB1 ALA A 42 18.102 10.576 2.830 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.924 10.229 1.093 1.00 1.41 H new ATOM 0 HB3 ALA A 42 17.114 11.644 1.805 1.00 1.41 H new ATOM 611 N GLY A 43 15.624 9.477 4.617 1.00 1.17 N ATOM 612 CA GLY A 43 15.013 9.860 5.872 1.00 1.18 C ATOM 613 C GLY A 43 13.648 9.237 6.058 1.00 1.04 C ATOM 614 O GLY A 43 13.457 8.050 5.791 1.00 1.12 O ATOM 0 H GLY A 43 16.135 8.595 4.640 1.00 1.17 H new ATOM 0 HA2 GLY A 43 15.662 9.562 6.696 1.00 1.18 H new ATOM 0 HA3 GLY A 43 14.924 10.946 5.914 1.00 1.18 H new ATOM 618 N LYS A 44 12.699 10.041 6.508 1.00 1.00 N ATOM 619 CA LYS A 44 11.343 9.569 6.728 1.00 0.92 C ATOM 620 C LYS A 44 10.585 9.521 5.410 1.00 0.80 C ATOM 621 O LYS A 44 10.282 10.558 4.814 1.00 0.84 O ATOM 622 CB LYS A 44 10.614 10.479 7.717 1.00 1.04 C ATOM 623 CG LYS A 44 11.301 10.589 9.068 1.00 1.53 C ATOM 624 CD LYS A 44 10.523 11.496 10.011 1.00 1.94 C ATOM 625 CE LYS A 44 11.210 11.629 11.362 1.00 2.69 C ATOM 626 NZ LYS A 44 11.396 10.311 12.027 1.00 3.46 N ATOM 0 H LYS A 44 12.844 11.026 6.728 1.00 1.00 H new ATOM 0 HA LYS A 44 11.390 8.564 7.148 1.00 0.92 H new ATOM 0 HB2 LYS A 44 10.525 11.475 7.283 1.00 1.04 H new ATOM 0 HB3 LYS A 44 9.601 10.103 7.864 1.00 1.04 H new ATOM 0 HG2 LYS A 44 11.398 9.598 9.511 1.00 1.53 H new ATOM 0 HG3 LYS A 44 12.310 10.979 8.935 1.00 1.53 H new ATOM 0 HD2 LYS A 44 10.415 12.482 9.560 1.00 1.94 H new ATOM 0 HD3 LYS A 44 9.518 11.098 10.152 1.00 1.94 H new ATOM 0 HE2 LYS A 44 12.180 12.108 11.229 1.00 2.69 H new ATOM 0 HE3 LYS A 44 10.619 12.280 12.006 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 11.676 10.458 13.018 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 10.504 9.777 11.995 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 12.138 9.775 11.533 1.00 3.46 H new ATOM 640 N TRP A 45 10.295 8.317 4.952 1.00 0.72 N ATOM 641 CA TRP A 45 9.591 8.130 3.698 1.00 0.62 C ATOM 642 C TRP A 45 8.201 7.548 3.935 1.00 0.53 C ATOM 643 O TRP A 45 8.053 6.518 4.596 1.00 0.53 O ATOM 644 CB TRP A 45 10.399 7.225 2.764 1.00 0.62 C ATOM 645 CG TRP A 45 9.686 6.893 1.487 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.239 7.776 0.547 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.347 5.587 1.006 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.633 7.103 -0.481 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.687 5.758 -0.225 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.533 4.292 1.496 1.00 0.47 C ATOM 651 CZ2 TRP A 45 8.214 4.684 -0.972 1.00 0.43 C ATOM 652 CZ3 TRP A 45 9.064 3.224 0.752 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.411 3.426 -0.469 1.00 0.42 C ATOM 0 H TRP A 45 10.538 7.451 5.433 1.00 0.72 H new ATOM 0 HA TRP A 45 9.473 9.105 3.224 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.344 7.713 2.527 1.00 0.62 H new ATOM 0 HB3 TRP A 45 10.640 6.300 3.287 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.347 8.849 0.605 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.210 7.533 -1.303 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.034 4.128 2.439 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.710 4.837 -1.915 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 9.204 2.218 1.120 1.00 0.44 H new ATOM 0 HH2 TRP A 45 8.055 2.572 -1.026 1.00 0.42 H new ATOM 664 N GLU A 46 7.190 8.227 3.409 1.00 0.51 N ATOM 665 CA GLU A 46 5.816 7.755 3.494 1.00 0.48 C ATOM 666 C GLU A 46 5.457 6.981 2.226 1.00 0.39 C ATOM 667 O GLU A 46 5.271 7.583 1.167 1.00 0.42 O ATOM 668 CB GLU A 46 4.853 8.939 3.644 1.00 0.60 C ATOM 669 CG GLU A 46 5.195 9.885 4.783 1.00 1.17 C ATOM 670 CD GLU A 46 4.936 9.288 6.148 1.00 1.33 C ATOM 671 OE1 GLU A 46 5.898 8.822 6.793 1.00 1.73 O ATOM 672 OE2 GLU A 46 3.774 9.302 6.598 1.00 1.82 O ATOM 0 H GLU A 46 7.298 9.113 2.916 1.00 0.51 H new ATOM 0 HA GLU A 46 5.726 7.105 4.364 1.00 0.48 H new ATOM 0 HB2 GLU A 46 4.841 9.502 2.711 1.00 0.60 H new ATOM 0 HB3 GLU A 46 3.845 8.555 3.797 1.00 0.60 H new ATOM 0 HG2 GLU A 46 6.245 10.167 4.710 1.00 1.17 H new ATOM 0 HG3 GLU A 46 4.611 10.799 4.676 1.00 1.17 H new ATOM 679 N CYS A 47 5.388 5.651 2.322 1.00 0.32 N ATOM 680 CA CYS A 47 4.979 4.832 1.179 1.00 0.28 C ATOM 681 C CYS A 47 3.579 5.246 0.715 1.00 0.26 C ATOM 682 O CYS A 47 2.755 5.686 1.520 1.00 0.27 O ATOM 683 CB CYS A 47 4.993 3.334 1.532 1.00 0.28 C ATOM 684 SG CYS A 47 3.638 2.788 2.604 1.00 0.26 S ATOM 0 H CYS A 47 5.607 5.124 3.167 1.00 0.32 H new ATOM 0 HA CYS A 47 5.693 4.996 0.372 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.960 2.758 0.607 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.939 3.100 2.020 1.00 0.28 H new ATOM 0 HG CYS A 47 4.118 2.085 3.586 1.00 0.26 H new ATOM 689 N PRO A 48 3.295 5.110 -0.598 1.00 0.27 N ATOM 690 CA PRO A 48 2.001 5.505 -1.180 1.00 0.29 C ATOM 691 C PRO A 48 0.826 4.698 -0.629 1.00 0.27 C ATOM 692 O PRO A 48 -0.324 4.959 -0.967 1.00 0.30 O ATOM 693 CB PRO A 48 2.176 5.236 -2.681 1.00 0.35 C ATOM 694 CG PRO A 48 3.305 4.269 -2.775 1.00 0.34 C ATOM 695 CD PRO A 48 4.217 4.585 -1.621 1.00 0.29 C ATOM 0 HA PRO A 48 1.762 6.542 -0.943 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.266 4.822 -3.116 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.399 6.155 -3.223 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.945 3.242 -2.718 1.00 0.34 H new ATOM 0 HG3 PRO A 48 3.828 4.371 -3.726 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.745 3.698 -1.270 1.00 0.29 H new ATOM 0 HD3 PRO A 48 4.974 5.319 -1.896 1.00 0.29 H new ATOM 703 N TRP A 49 1.129 3.726 0.223 1.00 0.24 N ATOM 704 CA TRP A 49 0.103 2.923 0.881 1.00 0.23 C ATOM 705 C TRP A 49 -0.448 3.677 2.093 1.00 0.23 C ATOM 706 O TRP A 49 -1.371 3.215 2.766 1.00 0.27 O ATOM 707 CB TRP A 49 0.691 1.573 1.303 1.00 0.22 C ATOM 708 CG TRP A 49 -0.334 0.507 1.574 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.441 0.218 0.824 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.333 -0.425 2.661 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.123 -0.839 1.376 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.466 -1.248 2.506 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.514 -0.645 3.754 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.770 -2.272 3.399 1.00 0.30 C ATOM 715 CZ3 TRP A 49 0.211 -1.661 4.639 1.00 0.31 C ATOM 716 CH2 TRP A 49 -0.923 -2.463 4.457 1.00 0.32 C ATOM 0 H TRP A 49 2.084 3.473 0.476 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.716 2.741 0.186 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.364 1.223 0.520 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.293 1.717 2.200 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.736 0.744 -0.072 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -2.979 -1.252 1.005 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.390 -0.030 3.903 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.643 -2.893 3.262 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.858 -1.840 5.485 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.134 -3.249 5.167 1.00 0.32 H new ATOM 727 N HIS A 50 0.149 4.829 2.389 1.00 0.23 N ATOM 728 CA HIS A 50 -0.394 5.739 3.391 1.00 0.24 C ATOM 729 C HIS A 50 -1.068 6.912 2.701 1.00 0.25 C ATOM 730 O HIS A 50 -1.576 7.822 3.354 1.00 0.29 O ATOM 731 CB HIS A 50 0.697 6.302 4.304 1.00 0.27 C ATOM 732 CG HIS A 50 1.591 5.289 4.934 1.00 0.28 C ATOM 733 ND1 HIS A 50 2.916 5.365 5.194 1.00 0.32 N flip ATOM 734 CD2 HIS A 50 1.178 4.062 5.399 1.00 0.30 C flip ATOM 735 CE1 HIS A 50 3.328 4.197 5.820 1.00 0.35 C flip ATOM 736 NE2 HIS A 50 2.245 3.444 5.918 1.00 0.34 N flip ATOM 0 H HIS A 50 1.010 5.154 1.948 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.102 5.169 3.992 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.310 6.993 3.725 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.221 6.883 5.094 1.00 0.27 H new ATOM 0 HD1 HIS A 50 3.518 6.156 4.966 1.00 0.32 H new ATOM 0 HD2 HIS A 50 0.173 3.668 5.353 1.00 0.30 H new ATOM 0 HE1 HIS A 50 4.325 3.954 6.157 1.00 0.35 H new ATOM 744 N GLN A 51 -1.052 6.899 1.380 1.00 0.25 N ATOM 745 CA GLN A 51 -1.526 8.033 0.608 1.00 0.28 C ATOM 746 C GLN A 51 -2.747 7.652 -0.206 1.00 0.24 C ATOM 747 O GLN A 51 -2.805 6.581 -0.808 1.00 0.26 O ATOM 748 CB GLN A 51 -0.421 8.563 -0.309 1.00 0.38 C ATOM 749 CG GLN A 51 0.830 8.990 0.443 1.00 0.48 C ATOM 750 CD GLN A 51 0.632 10.249 1.274 1.00 0.55 C ATOM 751 OE1 GLN A 51 0.884 11.358 0.807 1.00 0.83 O ATOM 752 NE2 GLN A 51 0.165 10.094 2.506 1.00 0.86 N ATOM 0 H GLN A 51 -0.716 6.116 0.820 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.806 8.824 1.304 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.157 7.791 -1.032 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.804 9.412 -0.875 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.148 8.178 1.097 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.636 9.158 -0.272 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -0.034 9.159 2.862 1.00 0.86 H new ATOM 0 HE22 GLN A 51 0.005 10.910 3.097 1.00 0.86 H new ATOM 761 N CYS A 52 -3.731 8.526 -0.191 1.00 0.23 N ATOM 762 CA CYS A 52 -4.938 8.323 -0.957 1.00 0.21 C ATOM 763 C CYS A 52 -4.613 8.342 -2.441 1.00 0.26 C ATOM 764 O CYS A 52 -4.137 9.348 -2.963 1.00 0.31 O ATOM 765 CB CYS A 52 -5.955 9.410 -0.627 1.00 0.22 C ATOM 766 SG CYS A 52 -7.511 9.276 -1.537 1.00 0.23 S ATOM 0 H CYS A 52 -3.716 9.391 0.349 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.366 7.354 -0.700 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.169 9.378 0.441 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.509 10.383 -0.834 1.00 0.22 H new ATOM 0 HG CYS A 52 -8.464 9.836 -0.852 1.00 0.23 H new ATOM 771 N ASP A 53 -4.888 7.230 -3.107 1.00 0.28 N ATOM 772 CA ASP A 53 -4.603 7.082 -4.534 1.00 0.35 C ATOM 773 C ASP A 53 -5.319 8.158 -5.349 1.00 0.36 C ATOM 774 O ASP A 53 -4.911 8.485 -6.463 1.00 0.42 O ATOM 775 CB ASP A 53 -5.024 5.683 -5.012 1.00 0.39 C ATOM 776 CG ASP A 53 -4.657 5.418 -6.458 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.569 5.351 -7.308 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.451 5.268 -6.752 1.00 0.64 O ATOM 0 H ASP A 53 -5.313 6.407 -2.680 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.530 7.202 -4.684 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.552 4.931 -4.379 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -6.101 5.572 -4.890 1.00 0.39 H new ATOM 783 N VAL A 54 -6.368 8.732 -4.770 1.00 0.33 N ATOM 784 CA VAL A 54 -7.166 9.730 -5.460 1.00 0.36 C ATOM 785 C VAL A 54 -6.627 11.147 -5.239 1.00 0.37 C ATOM 786 O VAL A 54 -6.396 11.878 -6.201 1.00 0.44 O ATOM 787 CB VAL A 54 -8.644 9.675 -5.018 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.473 10.696 -5.772 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.218 8.283 -5.220 1.00 0.33 C ATOM 0 H VAL A 54 -6.683 8.521 -3.823 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.100 9.493 -6.522 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.682 9.915 -3.955 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.510 10.637 -5.443 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.086 11.696 -5.575 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.420 10.490 -6.841 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.260 8.269 -4.901 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.157 8.014 -6.275 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.649 7.565 -4.629 1.00 0.33 H new ATOM 799 N CYS A 55 -6.413 11.538 -3.981 1.00 0.34 N ATOM 800 CA CYS A 55 -6.089 12.938 -3.691 1.00 0.36 C ATOM 801 C CYS A 55 -4.756 13.122 -2.957 1.00 0.35 C ATOM 802 O CYS A 55 -4.386 14.244 -2.610 1.00 0.41 O ATOM 803 CB CYS A 55 -7.211 13.584 -2.881 1.00 0.37 C ATOM 804 SG CYS A 55 -7.357 12.974 -1.186 1.00 0.32 S ATOM 0 H CYS A 55 -6.456 10.925 -3.167 1.00 0.34 H new ATOM 0 HA CYS A 55 -5.986 13.429 -4.659 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -7.048 14.661 -2.853 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.157 13.417 -3.397 1.00 0.37 H new ATOM 0 HG CYS A 55 -7.420 11.676 -1.196 1.00 0.32 H new ATOM 809 N GLY A 56 -4.039 12.038 -2.698 1.00 0.33 N ATOM 810 CA GLY A 56 -2.735 12.155 -2.062 1.00 0.36 C ATOM 811 C GLY A 56 -2.793 12.385 -0.556 1.00 0.38 C ATOM 812 O GLY A 56 -1.771 12.286 0.120 1.00 0.49 O ATOM 0 H GLY A 56 -4.331 11.085 -2.913 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.165 11.247 -2.258 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.191 12.979 -2.523 1.00 0.36 H new ATOM 816 N LYS A 57 -3.974 12.704 -0.023 1.00 0.35 N ATOM 817 CA LYS A 57 -4.131 12.904 1.421 1.00 0.39 C ATOM 818 C LYS A 57 -3.812 11.626 2.186 1.00 0.33 C ATOM 819 O LYS A 57 -3.786 10.540 1.604 1.00 0.33 O ATOM 820 CB LYS A 57 -5.555 13.341 1.767 1.00 0.48 C ATOM 821 CG LYS A 57 -5.883 14.779 1.404 1.00 0.65 C ATOM 822 CD LYS A 57 -7.265 15.157 1.912 1.00 0.78 C ATOM 823 CE LYS A 57 -7.582 16.623 1.669 1.00 1.16 C ATOM 824 NZ LYS A 57 -8.896 17.008 2.252 1.00 1.91 N ATOM 0 H LYS A 57 -4.830 12.829 -0.563 1.00 0.35 H new ATOM 0 HA LYS A 57 -3.432 13.688 1.712 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -6.257 12.682 1.256 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -5.712 13.206 2.837 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -5.137 15.447 1.833 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.840 14.906 0.322 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -8.014 14.538 1.418 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -7.329 14.945 2.979 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -6.796 17.242 2.103 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -7.588 16.821 0.597 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -9.276 17.830 1.740 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -9.559 16.211 2.169 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -8.772 17.252 3.255 1.00 1.91 H new ATOM 838 N GLU A 58 -3.578 11.761 3.489 1.00 0.35 N ATOM 839 CA GLU A 58 -3.325 10.609 4.338 1.00 0.37 C ATOM 840 C GLU A 58 -4.500 9.647 4.273 1.00 0.30 C ATOM 841 O GLU A 58 -5.649 10.023 4.525 1.00 0.36 O ATOM 842 CB GLU A 58 -3.073 11.033 5.788 1.00 0.51 C ATOM 843 CG GLU A 58 -2.835 9.858 6.726 1.00 0.88 C ATOM 844 CD GLU A 58 -2.557 10.284 8.151 1.00 1.30 C ATOM 845 OE1 GLU A 58 -1.403 10.123 8.612 1.00 1.50 O ATOM 846 OE2 GLU A 58 -3.484 10.787 8.817 1.00 2.03 O ATOM 0 H GLU A 58 -3.559 12.657 3.976 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.428 10.109 3.972 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.208 11.696 5.820 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -3.928 11.607 6.145 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -3.709 9.206 6.712 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -1.994 9.271 6.358 1.00 0.88 H new ATOM 853 N ALA A 59 -4.207 8.419 3.900 1.00 0.26 N ATOM 854 CA ALA A 59 -5.218 7.396 3.779 1.00 0.21 C ATOM 855 C ALA A 59 -5.647 6.894 5.148 1.00 0.23 C ATOM 856 O ALA A 59 -4.818 6.692 6.037 1.00 0.30 O ATOM 857 CB ALA A 59 -4.697 6.251 2.942 1.00 0.22 C ATOM 0 H ALA A 59 -3.263 8.105 3.673 1.00 0.26 H new ATOM 0 HA ALA A 59 -6.089 7.829 3.287 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.466 5.484 2.856 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.436 6.616 1.949 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.813 5.826 3.417 1.00 0.22 H new ATOM 863 N ALA A 60 -6.945 6.697 5.310 1.00 0.20 N ATOM 864 CA ALA A 60 -7.490 6.200 6.559 1.00 0.23 C ATOM 865 C ALA A 60 -7.797 4.717 6.446 1.00 0.23 C ATOM 866 O ALA A 60 -7.684 3.969 7.417 1.00 0.30 O ATOM 867 CB ALA A 60 -8.739 6.975 6.935 1.00 0.27 C ATOM 0 H ALA A 60 -7.642 6.875 4.587 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.748 6.341 7.345 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -9.137 6.591 7.874 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.491 8.030 7.050 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.487 6.862 6.151 1.00 0.27 H new ATOM 873 N SER A 61 -8.189 4.301 5.254 1.00 0.21 N ATOM 874 CA SER A 61 -8.448 2.903 4.986 1.00 0.23 C ATOM 875 C SER A 61 -7.560 2.432 3.841 1.00 0.20 C ATOM 876 O SER A 61 -7.450 3.104 2.810 1.00 0.30 O ATOM 877 CB SER A 61 -9.927 2.699 4.656 1.00 0.30 C ATOM 878 OG SER A 61 -10.332 3.544 3.593 1.00 0.35 O ATOM 0 H SER A 61 -8.335 4.918 4.455 1.00 0.21 H new ATOM 0 HA SER A 61 -8.216 2.310 5.871 1.00 0.23 H new ATOM 0 HB2 SER A 61 -10.102 1.658 4.385 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.532 2.904 5.539 1.00 0.30 H new ATOM 0 HG SER A 61 -10.052 3.153 2.739 1.00 0.35 H new ATOM 884 N PHE A 62 -6.922 1.289 4.025 1.00 0.21 N ATOM 885 CA PHE A 62 -5.930 0.802 3.077 1.00 0.20 C ATOM 886 C PHE A 62 -6.437 -0.451 2.376 1.00 0.19 C ATOM 887 O PHE A 62 -7.012 -1.327 3.019 1.00 0.22 O ATOM 888 CB PHE A 62 -4.625 0.483 3.822 1.00 0.26 C ATOM 889 CG PHE A 62 -4.305 1.456 4.928 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.239 1.043 6.251 1.00 0.68 C ATOM 891 CD2 PHE A 62 -4.059 2.788 4.637 1.00 0.29 C ATOM 892 CE1 PHE A 62 -3.934 1.940 7.257 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.756 3.688 5.641 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.737 3.239 6.984 1.00 0.47 C ATOM 0 H PHE A 62 -7.073 0.677 4.826 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.747 1.573 2.329 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.693 -0.521 4.242 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.802 0.475 3.108 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.428 0.009 6.497 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -4.105 3.127 3.613 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -3.853 1.591 8.276 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -3.537 4.719 5.405 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.564 3.941 7.787 1.00 0.47 H new ATOM 904 N CYS A 63 -6.251 -0.536 1.060 1.00 0.18 N ATOM 905 CA CYS A 63 -6.587 -1.758 0.350 1.00 0.18 C ATOM 906 C CYS A 63 -5.578 -2.835 0.709 1.00 0.19 C ATOM 907 O CYS A 63 -4.376 -2.661 0.517 1.00 0.22 O ATOM 908 CB CYS A 63 -6.622 -1.556 -1.171 1.00 0.20 C ATOM 909 SG CYS A 63 -7.355 -2.957 -2.053 1.00 0.23 S ATOM 0 H CYS A 63 -5.877 0.213 0.478 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.589 -2.061 0.655 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.189 -0.653 -1.399 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.607 -1.396 -1.534 1.00 0.20 H new ATOM 0 HG CYS A 63 -7.663 -2.595 -3.263 1.00 0.23 H new ATOM 914 N GLU A 64 -6.074 -3.944 1.223 1.00 0.19 N ATOM 915 CA GLU A 64 -5.217 -5.025 1.683 1.00 0.23 C ATOM 916 C GLU A 64 -4.894 -5.982 0.541 1.00 0.25 C ATOM 917 O GLU A 64 -4.530 -7.140 0.766 1.00 0.29 O ATOM 918 CB GLU A 64 -5.895 -5.781 2.824 1.00 0.24 C ATOM 919 CG GLU A 64 -6.140 -4.939 4.067 1.00 0.24 C ATOM 920 CD GLU A 64 -6.848 -5.713 5.157 1.00 0.29 C ATOM 921 OE1 GLU A 64 -6.170 -6.420 5.930 1.00 0.42 O ATOM 922 OE2 GLU A 64 -8.090 -5.616 5.253 1.00 0.32 O ATOM 0 H GLU A 64 -7.072 -4.123 1.334 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.284 -4.594 2.045 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.848 -6.173 2.470 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.279 -6.638 3.095 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.187 -4.571 4.447 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.735 -4.066 3.800 1.00 0.24 H new ATOM 929 N MET A 65 -5.052 -5.504 -0.688 1.00 0.27 N ATOM 930 CA MET A 65 -4.726 -6.302 -1.865 1.00 0.32 C ATOM 931 C MET A 65 -3.852 -5.523 -2.852 1.00 0.35 C ATOM 932 O MET A 65 -3.390 -6.082 -3.847 1.00 0.44 O ATOM 933 CB MET A 65 -6.002 -6.770 -2.567 1.00 0.34 C ATOM 934 CG MET A 65 -6.882 -7.676 -1.719 1.00 0.36 C ATOM 935 SD MET A 65 -8.438 -8.086 -2.535 1.00 0.70 S ATOM 936 CE MET A 65 -9.144 -9.239 -1.360 1.00 1.54 C ATOM 0 H MET A 65 -5.403 -4.569 -0.896 1.00 0.27 H new ATOM 0 HA MET A 65 -4.163 -7.170 -1.522 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.581 -5.896 -2.866 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.728 -7.299 -3.480 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.341 -8.595 -1.493 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.092 -7.187 -0.768 1.00 0.36 H new ATOM 0 HE1 MET A 65 -9.853 -9.891 -1.871 1.00 1.54 H new ATOM 0 HE2 MET A 65 -8.350 -9.842 -0.919 1.00 1.54 H new ATOM 0 HE3 MET A 65 -9.659 -8.687 -0.574 1.00 1.54 H new ATOM 946 N CYS A 66 -3.621 -4.237 -2.586 1.00 0.32 N ATOM 947 CA CYS A 66 -2.801 -3.417 -3.472 1.00 0.34 C ATOM 948 C CYS A 66 -2.421 -2.112 -2.769 1.00 0.33 C ATOM 949 O CYS A 66 -3.058 -1.733 -1.787 1.00 0.32 O ATOM 950 CB CYS A 66 -3.562 -3.110 -4.767 1.00 0.35 C ATOM 951 SG CYS A 66 -4.838 -1.844 -4.592 1.00 0.32 S ATOM 0 H CYS A 66 -3.988 -3.746 -1.771 1.00 0.32 H new ATOM 0 HA CYS A 66 -1.894 -3.967 -3.721 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -2.849 -2.789 -5.527 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.024 -4.028 -5.130 1.00 0.35 H new ATOM 0 HG CYS A 66 -5.714 -2.229 -3.712 1.00 0.32 H new ATOM 956 N PRO A 67 -1.383 -1.404 -3.266 1.00 0.35 N ATOM 957 CA PRO A 67 -0.894 -0.154 -2.656 1.00 0.37 C ATOM 958 C PRO A 67 -1.861 1.027 -2.810 1.00 0.37 C ATOM 959 O PRO A 67 -1.514 2.161 -2.485 1.00 0.46 O ATOM 960 CB PRO A 67 0.409 0.143 -3.420 1.00 0.41 C ATOM 961 CG PRO A 67 0.747 -1.125 -4.121 1.00 0.42 C ATOM 962 CD PRO A 67 -0.571 -1.771 -4.438 1.00 0.38 C ATOM 0 HA PRO A 67 -0.771 -0.276 -1.580 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.273 0.960 -4.128 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.206 0.441 -2.739 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.318 -0.931 -5.029 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.359 -1.771 -3.491 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -0.999 -1.391 -5.366 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.479 -2.852 -4.548 1.00 0.38 H new ATOM 970 N SER A 68 -3.065 0.770 -3.310 1.00 0.33 N ATOM 971 CA SER A 68 -4.052 1.827 -3.478 1.00 0.33 C ATOM 972 C SER A 68 -4.867 2.018 -2.202 1.00 0.27 C ATOM 973 O SER A 68 -5.847 1.313 -1.961 1.00 0.40 O ATOM 974 CB SER A 68 -4.984 1.516 -4.651 1.00 0.37 C ATOM 975 OG SER A 68 -4.252 1.366 -5.856 1.00 0.46 O ATOM 0 H SER A 68 -3.378 -0.155 -3.604 1.00 0.33 H new ATOM 0 HA SER A 68 -3.517 2.752 -3.691 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.542 0.603 -4.444 1.00 0.37 H new ATOM 0 HB3 SER A 68 -5.714 2.318 -4.762 1.00 0.37 H new ATOM 0 HG SER A 68 -4.068 0.416 -6.011 1.00 0.46 H new ATOM 981 N SER A 69 -4.443 2.963 -1.385 1.00 0.21 N ATOM 982 CA SER A 69 -5.162 3.303 -0.171 1.00 0.17 C ATOM 983 C SER A 69 -6.004 4.558 -0.403 1.00 0.16 C ATOM 984 O SER A 69 -5.749 5.310 -1.343 1.00 0.18 O ATOM 985 CB SER A 69 -4.167 3.505 0.971 1.00 0.24 C ATOM 986 OG SER A 69 -3.061 4.286 0.553 1.00 0.38 O ATOM 0 H SER A 69 -3.598 3.513 -1.541 1.00 0.21 H new ATOM 0 HA SER A 69 -5.836 2.490 0.101 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.665 3.993 1.809 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.818 2.536 1.328 1.00 0.24 H new ATOM 0 HG SER A 69 -3.382 5.074 0.066 1.00 0.38 H new ATOM 992 N PHE A 70 -7.007 4.787 0.438 1.00 0.15 N ATOM 993 CA PHE A 70 -7.929 5.897 0.226 1.00 0.15 C ATOM 994 C PHE A 70 -8.150 6.684 1.511 1.00 0.16 C ATOM 995 O PHE A 70 -8.087 6.135 2.614 1.00 0.18 O ATOM 996 CB PHE A 70 -9.273 5.382 -0.294 1.00 0.16 C ATOM 997 CG PHE A 70 -9.176 4.601 -1.574 1.00 0.18 C ATOM 998 CD1 PHE A 70 -9.045 5.250 -2.790 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.220 3.217 -1.558 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -8.959 4.534 -3.967 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.133 2.495 -2.731 1.00 0.24 C ATOM 1002 CZ PHE A 70 -9.003 3.153 -3.937 1.00 0.25 C ATOM 0 H PHE A 70 -7.201 4.224 1.266 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.483 6.560 -0.515 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.729 4.752 0.470 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.940 6.230 -0.448 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -9.010 6.329 -2.818 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.324 2.697 -0.617 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.858 5.052 -4.909 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.167 1.416 -2.705 1.00 0.24 H new ATOM 0 HZ PHE A 70 -8.936 2.590 -4.856 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.404 7.980 1.357 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.686 8.848 2.493 1.00 0.22 C ATOM 1014 C CYS A 71 -10.124 8.657 2.956 1.00 0.23 C ATOM 1015 O CYS A 71 -10.887 7.941 2.311 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.457 10.314 2.117 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.684 10.967 0.958 1.00 0.26 S ATOM 0 H CYS A 71 -8.420 8.452 0.453 1.00 0.18 H new ATOM 0 HA CYS A 71 -8.009 8.582 3.305 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.469 10.919 3.024 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.465 10.417 1.678 1.00 0.26 H new ATOM 0 HG CYS A 71 -9.094 11.726 0.083 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.502 9.308 4.044 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.868 9.218 4.550 1.00 0.33 C ATOM 1024 C LYS A 72 -12.877 9.695 3.504 1.00 0.34 C ATOM 1025 O LYS A 72 -13.999 9.188 3.426 1.00 0.38 O ATOM 1026 CB LYS A 72 -12.007 10.028 5.836 1.00 0.40 C ATOM 1027 CG LYS A 72 -11.171 9.473 6.976 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.295 10.309 8.234 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.426 9.753 9.348 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.551 10.545 10.597 1.00 1.23 N ATOM 0 H LYS A 72 -9.885 9.905 4.595 1.00 0.29 H new ATOM 0 HA LYS A 72 -12.082 8.172 4.767 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.711 11.059 5.644 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.055 10.047 6.136 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.482 8.450 7.189 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -10.125 9.431 6.671 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -11.004 11.338 8.021 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.336 10.332 8.558 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -10.707 8.718 9.545 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -9.385 9.745 9.026 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -9.942 10.132 11.332 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -10.259 11.527 10.416 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -11.540 10.532 10.919 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.459 10.647 2.683 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.310 11.192 1.634 1.00 0.36 C ATOM 1046 C GLN A 73 -13.503 10.186 0.506 1.00 0.31 C ATOM 1047 O GLN A 73 -14.620 9.960 0.041 1.00 0.38 O ATOM 1048 CB GLN A 73 -12.697 12.475 1.068 1.00 0.41 C ATOM 1049 CG GLN A 73 -12.579 13.607 2.079 1.00 1.17 C ATOM 1050 CD GLN A 73 -11.889 14.827 1.501 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -10.667 14.961 1.578 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -12.663 15.721 0.909 1.00 2.20 N ATOM 0 H GLN A 73 -11.528 11.061 2.724 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.282 11.414 2.075 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -11.706 12.249 0.675 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -13.303 12.814 0.228 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -13.574 13.886 2.426 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -12.024 13.257 2.949 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -13.671 15.574 0.866 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -12.252 16.558 0.496 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.412 9.563 0.084 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.431 8.739 -1.120 1.00 0.21 C ATOM 1063 C HIS A 74 -12.426 7.250 -0.807 1.00 0.19 C ATOM 1064 O HIS A 74 -12.181 6.429 -1.686 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.245 9.096 -2.021 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.293 10.510 -2.503 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.185 11.321 -2.512 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.354 11.213 -2.959 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.595 12.497 -2.956 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -11.905 12.476 -3.243 1.00 0.34 N ATOM 0 H HIS A 74 -11.507 9.610 0.553 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.364 8.952 -1.642 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.316 8.934 -1.474 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.230 8.424 -2.879 1.00 0.22 H new ATOM 0 HD1 HIS A 74 -9.237 11.067 -2.233 1.00 0.28 H new ATOM 0 HD2 HIS A 74 -13.364 10.848 -3.077 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -9.958 13.362 -3.072 1.00 0.33 H new ATOM 1078 N ARG A 75 -12.683 6.897 0.443 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.817 5.493 0.813 1.00 0.20 C ATOM 1080 C ARG A 75 -14.230 5.011 0.524 1.00 0.23 C ATOM 1081 O ARG A 75 -14.454 3.833 0.238 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.491 5.276 2.296 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.524 5.859 3.241 1.00 0.31 C ATOM 1084 CD ARG A 75 -13.193 5.588 4.699 1.00 0.39 C ATOM 1085 NE ARG A 75 -14.248 6.096 5.576 1.00 0.53 N ATOM 1086 CZ ARG A 75 -14.091 6.368 6.872 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.936 6.125 7.475 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -15.105 6.866 7.571 1.00 0.92 N ATOM 0 H ARG A 75 -12.802 7.555 1.213 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.106 4.919 0.218 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.401 4.206 2.486 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.520 5.721 2.514 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.593 6.935 3.081 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.503 5.439 3.009 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -13.069 4.516 4.855 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -12.244 6.059 4.954 1.00 0.39 H new ATOM 0 HE ARG A 75 -15.169 6.253 5.167 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -12.159 5.727 6.947 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -12.824 6.336 8.467 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -16.001 7.040 7.116 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -14.987 7.075 8.562 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.178 5.939 0.579 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.582 5.603 0.452 1.00 0.34 C ATOM 1104 C GLU A 76 -16.899 5.110 -0.951 1.00 0.32 C ATOM 1105 O GLU A 76 -16.644 5.806 -1.937 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.444 6.815 0.788 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.211 7.364 2.187 1.00 0.55 C ATOM 1108 CD GLU A 76 -17.322 6.309 3.269 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -18.102 5.348 3.102 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -16.634 6.444 4.303 1.00 1.65 O ATOM 0 H GLU A 76 -14.994 6.933 0.711 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.805 4.800 1.155 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.246 7.603 0.061 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.494 6.542 0.685 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -16.221 7.818 2.232 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -17.934 8.155 2.385 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.450 3.906 -1.037 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.812 3.338 -2.322 1.00 0.42 C ATOM 1119 C GLY A 77 -16.615 2.880 -3.140 1.00 0.40 C ATOM 1120 O GLY A 77 -16.779 2.233 -4.174 1.00 0.58 O ATOM 0 H GLY A 77 -17.654 3.309 -0.235 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.478 2.490 -2.161 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.371 4.079 -2.894 1.00 0.42 H new ATOM 1124 N MET A 78 -15.413 3.208 -2.686 1.00 0.29 N ATOM 1125 CA MET A 78 -14.204 2.852 -3.420 1.00 0.27 C ATOM 1126 C MET A 78 -13.501 1.671 -2.762 1.00 0.24 C ATOM 1127 O MET A 78 -12.899 0.837 -3.443 1.00 0.28 O ATOM 1128 CB MET A 78 -13.248 4.048 -3.511 1.00 0.29 C ATOM 1129 CG MET A 78 -13.863 5.275 -4.177 1.00 0.35 C ATOM 1130 SD MET A 78 -14.501 4.924 -5.828 1.00 0.58 S ATOM 1131 CE MET A 78 -15.175 6.524 -6.267 1.00 1.51 C ATOM 0 H MET A 78 -15.248 3.717 -1.818 1.00 0.29 H new ATOM 0 HA MET A 78 -14.499 2.565 -4.429 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.920 4.317 -2.507 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.360 3.750 -4.068 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.671 5.655 -3.553 1.00 0.35 H new ATOM 0 HG3 MET A 78 -13.113 6.063 -4.242 1.00 0.35 H new ATOM 0 HE1 MET A 78 -15.609 6.474 -7.266 1.00 1.51 H new ATOM 0 HE2 MET A 78 -15.946 6.803 -5.549 1.00 1.51 H new ATOM 0 HE3 MET A 78 -14.380 7.270 -6.254 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.579 1.603 -1.440 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.004 0.493 -0.703 1.00 0.22 C ATOM 1143 C LEU A 79 -14.107 -0.213 0.079 1.00 0.25 C ATOM 1144 O LEU A 79 -15.004 0.437 0.621 1.00 0.32 O ATOM 1145 CB LEU A 79 -11.922 1.016 0.247 1.00 0.24 C ATOM 1146 CG LEU A 79 -10.964 -0.033 0.816 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.143 -0.671 -0.290 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.050 0.602 1.844 1.00 0.27 C ATOM 0 H LEU A 79 -14.036 2.305 -0.858 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.548 -0.217 -1.393 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.335 1.767 -0.282 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.411 1.522 1.079 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.554 -0.813 1.297 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.470 -1.413 0.139 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.809 -1.155 -1.004 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.560 0.096 -0.799 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.372 -0.152 2.243 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.472 1.398 1.375 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.648 1.018 2.655 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.042 -1.533 0.135 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.053 -2.325 0.821 1.00 0.31 C ATOM 1162 C PHE A 80 -14.426 -3.583 1.408 1.00 0.31 C ATOM 1163 O PHE A 80 -13.312 -3.955 1.046 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.188 -2.690 -0.154 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.726 -3.387 -1.413 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.502 -2.670 -2.584 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.518 -4.759 -1.428 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.080 -3.308 -3.733 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -15.095 -5.398 -2.578 1.00 0.46 C ATOM 1170 CZ PHE A 80 -14.877 -4.672 -3.730 1.00 0.45 C ATOM 0 H PHE A 80 -13.295 -2.083 -0.289 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.472 -1.736 1.637 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -16.902 -3.332 0.362 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.720 -1.780 -0.431 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.660 -1.602 -2.594 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -15.689 -5.334 -0.530 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -14.909 -2.739 -4.635 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -14.935 -6.466 -2.575 1.00 0.46 H new ATOM 0 HZ PHE A 80 -14.548 -5.171 -4.629 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.134 -4.228 2.322 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.659 -5.465 2.922 1.00 0.38 C ATOM 1182 C ILE A 81 -14.969 -6.650 2.018 1.00 0.42 C ATOM 1183 O ILE A 81 -16.110 -6.837 1.590 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.284 -5.705 4.315 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.769 -4.677 5.323 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -14.988 -7.116 4.805 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.294 -4.815 5.637 1.00 0.44 C ATOM 0 H ILE A 81 -16.042 -3.914 2.665 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.580 -5.369 3.043 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.364 -5.591 4.223 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -14.956 -3.676 4.935 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.338 -4.772 6.248 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.438 -7.262 5.787 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.404 -7.839 4.104 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -13.910 -7.258 4.875 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -13.003 -4.052 6.359 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -13.102 -5.803 6.056 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.714 -4.690 4.723 1.00 0.44 H new ATOM 1199 N SER A 82 -13.945 -7.438 1.729 1.00 0.41 N ATOM 1200 CA SER A 82 -14.102 -8.640 0.936 1.00 0.47 C ATOM 1201 C SER A 82 -14.948 -9.656 1.689 1.00 0.54 C ATOM 1202 O SER A 82 -14.655 -9.994 2.833 1.00 0.61 O ATOM 1203 CB SER A 82 -12.728 -9.240 0.613 1.00 0.57 C ATOM 1204 OG SER A 82 -12.847 -10.502 -0.021 1.00 0.79 O ATOM 0 H SER A 82 -12.989 -7.261 2.037 1.00 0.41 H new ATOM 0 HA SER A 82 -14.605 -8.383 0.004 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.175 -8.558 -0.033 1.00 0.57 H new ATOM 0 HB3 SER A 82 -12.151 -9.346 1.532 1.00 0.57 H new ATOM 0 HG SER A 82 -11.970 -10.783 -0.357 1.00 0.79 H new ATOM 1210 N LYS A 83 -16.005 -10.126 1.054 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.840 -11.161 1.636 1.00 0.80 C ATOM 1212 C LYS A 83 -16.112 -12.498 1.594 1.00 0.81 C ATOM 1213 O LYS A 83 -16.429 -13.417 2.347 1.00 0.91 O ATOM 1214 CB LYS A 83 -18.180 -11.266 0.899 1.00 0.98 C ATOM 1215 CG LYS A 83 -19.063 -10.028 1.022 1.00 1.06 C ATOM 1216 CD LYS A 83 -18.625 -8.906 0.087 1.00 1.34 C ATOM 1217 CE LYS A 83 -19.548 -7.699 0.183 1.00 2.08 C ATOM 1218 NZ LYS A 83 -20.949 -8.041 -0.183 1.00 2.62 N ATOM 0 H LYS A 83 -16.307 -9.807 0.133 1.00 0.65 H new ATOM 0 HA LYS A 83 -17.044 -10.895 2.673 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -17.987 -11.457 -0.157 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.726 -12.127 1.284 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -20.096 -10.298 0.802 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -19.040 -9.669 2.051 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -17.606 -8.605 0.332 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -18.611 -9.273 -0.939 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -19.524 -7.304 1.199 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -19.183 -6.910 -0.475 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -21.491 -7.167 -0.336 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -20.952 -8.607 -1.055 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -21.385 -8.588 0.586 1.00 2.62 H new ATOM 1232 N LEU A 84 -15.127 -12.587 0.713 1.00 0.76 N ATOM 1233 CA LEU A 84 -14.355 -13.804 0.542 1.00 0.81 C ATOM 1234 C LEU A 84 -13.200 -13.871 1.540 1.00 0.76 C ATOM 1235 O LEU A 84 -13.067 -14.837 2.291 1.00 0.81 O ATOM 1236 CB LEU A 84 -13.807 -13.869 -0.883 1.00 0.90 C ATOM 1237 CG LEU A 84 -14.859 -13.819 -1.995 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -14.185 -13.755 -3.355 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -15.785 -15.024 -1.920 1.00 1.25 C ATOM 0 H LEU A 84 -14.843 -11.822 0.101 1.00 0.76 H new ATOM 0 HA LEU A 84 -15.013 -14.654 0.724 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -13.113 -13.041 -1.025 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -13.232 -14.789 -0.991 1.00 0.90 H new ATOM 0 HG LEU A 84 -15.459 -12.919 -1.857 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -14.944 -13.720 -4.136 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -13.564 -12.861 -3.412 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -13.562 -14.638 -3.494 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -16.523 -14.966 -2.720 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -15.202 -15.938 -2.030 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -16.294 -15.032 -0.956 1.00 1.25 H new ATOM 1251 N ASP A 85 -12.368 -12.835 1.543 1.00 0.72 N ATOM 1252 CA ASP A 85 -11.139 -12.844 2.336 1.00 0.75 C ATOM 1253 C ASP A 85 -11.257 -11.997 3.595 1.00 0.66 C ATOM 1254 O ASP A 85 -10.484 -12.160 4.538 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.959 -12.343 1.499 1.00 0.85 C ATOM 1256 CG ASP A 85 -9.664 -13.235 0.314 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -10.176 -12.958 -0.790 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -8.912 -14.218 0.481 1.00 1.42 O ATOM 0 H ASP A 85 -12.519 -11.980 1.008 1.00 0.72 H new ATOM 0 HA ASP A 85 -10.968 -13.877 2.640 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -10.172 -11.334 1.145 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -9.072 -12.279 2.130 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.219 -11.087 3.610 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.361 -10.169 4.726 1.00 0.56 C ATOM 1265 C GLY A 86 -11.472 -8.952 4.577 1.00 0.48 C ATOM 1266 O GLY A 86 -11.657 -7.946 5.260 1.00 0.50 O ATOM 0 H GLY A 86 -12.908 -10.966 2.867 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.401 -9.851 4.804 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.116 -10.686 5.654 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.514 -9.045 3.670 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.582 -7.957 3.418 1.00 0.39 C ATOM 1272 C ARG A 87 -10.293 -6.775 2.781 1.00 0.33 C ATOM 1273 O ARG A 87 -11.246 -6.951 2.025 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.459 -8.424 2.490 1.00 0.46 C ATOM 1275 CG ARG A 87 -7.466 -9.370 3.142 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.240 -9.567 2.266 1.00 0.96 C ATOM 1277 NE ARG A 87 -5.278 -10.493 2.860 1.00 1.25 N ATOM 1278 CZ ARG A 87 -3.964 -10.466 2.625 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -3.436 -9.529 1.843 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -3.175 -11.373 3.184 1.00 2.10 N ATOM 0 H ARG A 87 -10.360 -9.870 3.091 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.162 -7.648 4.375 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -8.900 -8.918 1.624 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -7.922 -7.551 2.119 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.164 -8.973 4.111 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -7.943 -10.332 3.326 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -6.549 -9.944 1.291 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -5.758 -8.604 2.097 1.00 0.96 H new ATOM 0 HE ARG A 87 -5.634 -11.207 3.496 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -4.036 -8.823 1.417 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -2.431 -9.517 1.669 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -3.572 -12.089 3.792 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -2.171 -11.355 3.006 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.838 -5.575 3.106 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.313 -4.381 2.433 1.00 0.26 C ATOM 1296 C LEU A 88 -9.895 -4.428 0.974 1.00 0.24 C ATOM 1297 O LEU A 88 -8.705 -4.472 0.664 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.751 -3.126 3.096 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.393 -2.741 4.426 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.457 -1.847 5.220 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.716 -2.027 4.189 1.00 0.44 C ATOM 0 H LEU A 88 -9.141 -5.404 3.831 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.400 -4.345 2.503 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.682 -3.269 3.256 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -9.861 -2.291 2.404 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.582 -3.651 4.996 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -9.926 -1.579 6.167 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.525 -2.377 5.414 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -9.247 -0.942 4.650 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -12.161 -1.759 5.147 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.542 -1.124 3.604 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.393 -2.686 3.646 1.00 0.44 H new ATOM 1313 N SER A 89 -10.870 -4.439 0.090 1.00 0.22 N ATOM 1314 CA SER A 89 -10.608 -4.569 -1.328 1.00 0.23 C ATOM 1315 C SER A 89 -11.183 -3.373 -2.077 1.00 0.21 C ATOM 1316 O SER A 89 -12.296 -2.927 -1.795 1.00 0.22 O ATOM 1317 CB SER A 89 -11.207 -5.879 -1.851 1.00 0.28 C ATOM 1318 OG SER A 89 -10.824 -6.124 -3.195 1.00 0.55 O ATOM 0 H SER A 89 -11.858 -4.359 0.331 1.00 0.22 H new ATOM 0 HA SER A 89 -9.531 -4.591 -1.494 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.880 -6.707 -1.222 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.294 -5.836 -1.783 1.00 0.28 H new ATOM 0 HG SER A 89 -10.061 -6.738 -3.211 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.398 -2.829 -2.995 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.815 -1.665 -3.760 1.00 0.24 C ATOM 1326 C CYS A 90 -11.608 -2.093 -4.995 1.00 0.27 C ATOM 1327 O CYS A 90 -11.581 -3.262 -5.388 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.591 -0.836 -4.174 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.511 -1.652 -5.373 1.00 0.28 S ATOM 0 H CYS A 90 -9.468 -3.176 -3.228 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.459 -1.049 -3.132 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -9.933 0.110 -4.595 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -9.010 -0.597 -3.283 1.00 0.25 H new ATOM 0 HG CYS A 90 -7.285 -1.624 -4.942 1.00 0.28 H new ATOM 1334 N THR A 91 -12.296 -1.133 -5.610 1.00 0.30 N ATOM 1335 CA THR A 91 -13.121 -1.383 -6.789 1.00 0.36 C ATOM 1336 C THR A 91 -12.292 -1.840 -7.986 1.00 0.43 C ATOM 1337 O THR A 91 -12.837 -2.270 -9.003 1.00 0.54 O ATOM 1338 CB THR A 91 -13.891 -0.113 -7.183 1.00 0.39 C ATOM 1339 OG1 THR A 91 -12.996 1.013 -7.202 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.037 0.151 -6.219 1.00 0.38 C ATOM 0 H THR A 91 -12.297 -0.160 -5.304 1.00 0.30 H new ATOM 0 HA THR A 91 -13.814 -2.181 -6.522 1.00 0.36 H new ATOM 0 HB THR A 91 -14.310 -0.260 -8.178 1.00 0.39 H new ATOM 0 HG1 THR A 91 -12.348 0.904 -7.929 1.00 0.43 H new ATOM 0 HG21 THR A 91 -15.565 1.055 -6.521 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.726 -0.693 -6.233 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.642 0.281 -5.211 1.00 0.38 H new ATOM 1348 N GLU A 92 -10.977 -1.750 -7.859 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.080 -2.108 -8.945 1.00 0.52 C ATOM 1350 C GLU A 92 -9.902 -3.622 -9.012 1.00 0.51 C ATOM 1351 O GLU A 92 -9.273 -4.143 -9.932 1.00 0.63 O ATOM 1352 CB GLU A 92 -8.719 -1.429 -8.758 1.00 0.56 C ATOM 1353 CG GLU A 92 -8.804 0.062 -8.443 1.00 0.66 C ATOM 1354 CD GLU A 92 -9.582 0.842 -9.480 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -10.800 1.056 -9.283 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -8.978 1.252 -10.491 1.00 1.54 O ATOM 0 H GLU A 92 -10.507 -1.431 -7.012 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.520 -1.765 -9.881 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.183 -1.930 -7.952 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.130 -1.565 -9.665 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.273 0.196 -7.468 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -7.796 0.470 -8.370 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.457 -4.325 -8.031 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.351 -5.779 -7.972 1.00 0.53 C ATOM 1365 C HIS A 93 -11.717 -6.406 -8.193 1.00 0.67 C ATOM 1366 O HIS A 93 -12.224 -7.138 -7.340 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.801 -6.242 -6.619 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.532 -5.574 -6.192 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.659 -4.931 -7.042 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.012 -5.440 -4.952 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.663 -4.428 -6.300 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -6.832 -4.709 -5.018 1.00 0.32 N ATOM 0 H HIS A 93 -10.986 -3.911 -7.264 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.662 -6.095 -8.755 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.560 -6.069 -5.856 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.632 -7.318 -6.661 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.754 -4.852 -8.055 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.447 -5.840 -4.048 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.830 -3.866 -6.697 1.00 0.36 H new ATOM 1380 N ASP A 94 -12.318 -6.097 -9.324 1.00 0.83 N ATOM 1381 CA ASP A 94 -13.641 -6.607 -9.643 1.00 1.02 C ATOM 1382 C ASP A 94 -13.537 -7.753 -10.638 1.00 1.33 C ATOM 1383 O ASP A 94 -13.645 -8.922 -10.215 1.00 1.92 O ATOM 1384 CB ASP A 94 -14.522 -5.491 -10.203 1.00 1.54 C ATOM 1385 CG ASP A 94 -15.943 -5.949 -10.453 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -16.708 -6.090 -9.478 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -16.301 -6.180 -11.631 1.00 2.65 O ATOM 1388 OXT ASP A 94 -13.312 -7.488 -11.835 1.00 1.91 O ATOM 0 H ASP A 94 -11.913 -5.494 -10.040 1.00 0.83 H new ATOM 0 HA ASP A 94 -14.100 -6.981 -8.728 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -14.530 -4.654 -9.505 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -14.092 -5.125 -11.135 1.00 1.54 H new