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 162:sc= 0.874 USER MOD Set 1.2: A 66 CYS SG : rot -60:sc= -0.0812 USER MOD Set 1.3: A 68 SER OG : rot 174:sc= 1.23 USER MOD Set 1.4: A 89 SER OG : rot 102:sc= 1.38 USER MOD Set 1.5: A 90 CYS SG : rot -130:sc= 0.0804 USER MOD Set 1.6: A 93 HIS : no HE2:sc= -1.53 K(o=1.9,f=0.35!) USER MOD Set 2.1: A 52 CYS SG : rot 160:sc= 0.999 USER MOD Set 2.2: A 55 CYS SG : rot -49:sc= 0.85 USER MOD Set 2.3: A 71 CYS SG : rot -136:sc= 1.3 USER MOD Set 2.4: A 74 HIS : no HE2:sc= -1.83 K(o=1.3,f=0.0081) USER MOD Set 3.1: A 21 CYS SG : rot 139:sc= 1.28 USER MOD Set 3.2: A 26 CYS SG : rot 118:sc= 0.936 USER MOD Set 3.3: A 47 CYS SG : rot -128:sc= -1.45! USER MOD Set 3.4: A 50 HIS :FLIP no HE2:sc= 0.467 F(o=-0.67,f=1.2) USER MOD Set 4.1: A 9 CYS SG : rot -141:sc= 0.428 USER MOD Set 4.2: A 12 CYS SG : rot 138:sc= 0.663 USER MOD Set 4.3: A 31 HIS : no HD1:sc= -0.822 X(o=-3.5,f=-3.6) USER MOD Set 4.4: A 34 CYS SG : rot 15:sc= -3.76! USER MOD Single : A 11 SER OG : rot 40:sc= 0.379 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.044 (180deg=-0.276) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 29:sc= 0.0294 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) 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+ -166:sc= -0.0483 (180deg=-0.275) USER MOD Single : A 51 GLN : amide:sc= 0.103 X(o=0.1,f=-0.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 70:sc= -0.372 USER MOD Single : A 65 MET CE :methyl 161:sc= -0.134 (180deg=-0.585) USER MOD Single : A 69 SER OG : rot 59:sc= 1.26 USER MOD Single : A 72 LYS NZ :NH3+ -171:sc=-0.000501 (180deg=-0.102) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0688 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= -0.0141 (180deg=-0.167) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.015 USER MOD ----------------------------------------------------------------- ATOM 91 N ASP A 7 9.130 -9.427 3.392 1.00 0.54 N ATOM 92 CA ASP A 7 10.189 -10.015 2.572 1.00 0.53 C ATOM 93 C ASP A 7 9.722 -10.250 1.146 1.00 0.46 C ATOM 94 O ASP A 7 10.282 -11.072 0.421 1.00 0.55 O ATOM 95 CB ASP A 7 10.673 -11.335 3.183 1.00 0.71 C ATOM 96 CG ASP A 7 9.571 -12.373 3.306 1.00 1.68 C ATOM 97 OD1 ASP A 7 8.746 -12.277 4.241 1.00 2.36 O ATOM 98 OD2 ASP A 7 9.518 -13.293 2.461 1.00 2.34 O ATOM 0 HA ASP A 7 11.016 -9.306 2.549 1.00 0.53 H new ATOM 0 HB2 ASP A 7 11.478 -11.739 2.569 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.092 -11.140 4.170 1.00 0.71 H new ATOM 103 N GLU A 8 8.710 -9.510 0.741 1.00 0.37 N ATOM 104 CA GLU A 8 8.117 -9.676 -0.570 1.00 0.34 C ATOM 105 C GLU A 8 7.451 -8.377 -0.998 1.00 0.28 C ATOM 106 O GLU A 8 6.991 -7.610 -0.158 1.00 0.29 O ATOM 107 CB GLU A 8 7.096 -10.814 -0.512 1.00 0.42 C ATOM 108 CG GLU A 8 6.356 -11.057 -1.813 1.00 0.46 C ATOM 109 CD GLU A 8 5.368 -12.196 -1.700 1.00 0.60 C ATOM 110 OE1 GLU A 8 5.657 -13.294 -2.213 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.302 -12.004 -1.079 1.00 0.69 O ATOM 0 H GLU A 8 8.278 -8.781 1.308 1.00 0.37 H new ATOM 0 HA GLU A 8 8.886 -9.924 -1.301 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.608 -11.731 -0.223 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.369 -10.595 0.270 1.00 0.42 H new ATOM 0 HG2 GLU A 8 5.830 -10.148 -2.106 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.074 -11.277 -2.603 1.00 0.46 H new ATOM 118 N CYS A 9 7.384 -8.138 -2.298 1.00 0.27 N ATOM 119 CA CYS A 9 6.755 -6.935 -2.801 1.00 0.25 C ATOM 120 C CYS A 9 5.261 -7.149 -2.862 1.00 0.32 C ATOM 121 O CYS A 9 4.781 -8.029 -3.575 1.00 0.38 O ATOM 122 CB CYS A 9 7.264 -6.601 -4.196 1.00 0.26 C ATOM 123 SG CYS A 9 6.447 -5.184 -4.961 1.00 0.30 S ATOM 0 H CYS A 9 7.756 -8.759 -3.017 1.00 0.27 H new ATOM 0 HA CYS A 9 6.997 -6.109 -2.132 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.335 -6.404 -4.143 1.00 0.26 H new ATOM 0 HB3 CYS A 9 7.132 -7.472 -4.837 1.00 0.26 H new ATOM 0 HG CYS A 9 6.264 -5.420 -6.226 1.00 0.30 H new ATOM 128 N PHE A 10 4.534 -6.331 -2.127 1.00 0.33 N ATOM 129 CA PHE A 10 3.094 -6.477 -2.024 1.00 0.41 C ATOM 130 C PHE A 10 2.419 -6.206 -3.369 1.00 0.48 C ATOM 131 O PHE A 10 1.344 -6.735 -3.649 1.00 0.57 O ATOM 132 CB PHE A 10 2.561 -5.537 -0.934 1.00 0.41 C ATOM 133 CG PHE A 10 1.069 -5.563 -0.773 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.302 -4.457 -1.101 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.435 -6.700 -0.300 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.068 -4.484 -0.956 1.00 0.56 C ATOM 137 CE2 PHE A 10 -0.935 -6.731 -0.154 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.685 -5.599 -0.471 1.00 0.59 C ATOM 0 H PHE A 10 4.919 -5.554 -1.589 1.00 0.33 H new ATOM 0 HA PHE A 10 2.859 -7.505 -1.747 1.00 0.41 H new ATOM 0 HB2 PHE A 10 3.022 -5.804 0.017 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.872 -4.518 -1.165 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.783 -3.565 -1.474 1.00 0.50 H new ATOM 0 HD2 PHE A 10 1.020 -7.571 -0.043 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.655 -3.619 -1.227 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.424 -7.625 0.203 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.756 -5.605 -0.332 1.00 0.59 H new ATOM 148 N SER A 11 3.070 -5.410 -4.209 1.00 0.46 N ATOM 149 CA SER A 11 2.535 -5.083 -5.525 1.00 0.54 C ATOM 150 C SER A 11 2.728 -6.231 -6.515 1.00 0.57 C ATOM 151 O SER A 11 1.828 -6.547 -7.289 1.00 0.69 O ATOM 152 CB SER A 11 3.204 -3.824 -6.074 1.00 0.54 C ATOM 153 OG SER A 11 3.058 -2.737 -5.183 1.00 0.96 O ATOM 0 H SER A 11 3.971 -4.978 -4.002 1.00 0.46 H new ATOM 0 HA SER A 11 1.466 -4.909 -5.405 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.263 -4.017 -6.245 1.00 0.54 H new ATOM 0 HB3 SER A 11 2.766 -3.568 -7.039 1.00 0.54 H new ATOM 0 HG SER A 11 3.171 -3.052 -4.262 1.00 0.96 H new ATOM 159 N CYS A 12 3.898 -6.860 -6.488 1.00 0.48 N ATOM 160 CA CYS A 12 4.245 -7.837 -7.518 1.00 0.53 C ATOM 161 C CYS A 12 4.073 -9.275 -7.037 1.00 0.55 C ATOM 162 O CYS A 12 3.824 -10.175 -7.836 1.00 0.62 O ATOM 163 CB CYS A 12 5.687 -7.625 -7.985 1.00 0.51 C ATOM 164 SG CYS A 12 6.032 -5.954 -8.579 1.00 0.49 S ATOM 0 H CYS A 12 4.614 -6.715 -5.776 1.00 0.48 H new ATOM 0 HA CYS A 12 3.557 -7.680 -8.349 1.00 0.53 H new ATOM 0 HB2 CYS A 12 6.362 -7.852 -7.160 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.908 -8.335 -8.782 1.00 0.51 H new ATOM 0 HG CYS A 12 7.188 -5.564 -8.129 1.00 0.49 H new ATOM 169 N GLY A 13 4.202 -9.488 -5.736 1.00 0.51 N ATOM 170 CA GLY A 13 4.165 -10.836 -5.205 1.00 0.55 C ATOM 171 C GLY A 13 5.516 -11.511 -5.319 1.00 0.54 C ATOM 172 O GLY A 13 5.654 -12.702 -5.060 1.00 0.61 O ATOM 0 H GLY A 13 4.331 -8.754 -5.040 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.857 -10.809 -4.160 1.00 0.55 H new ATOM 0 HA3 GLY A 13 3.418 -11.420 -5.742 1.00 0.55 H new ATOM 176 N ASP A 14 6.519 -10.735 -5.708 1.00 0.49 N ATOM 177 CA ASP A 14 7.867 -11.253 -5.879 1.00 0.49 C ATOM 178 C ASP A 14 8.850 -10.491 -5.013 1.00 0.38 C ATOM 179 O ASP A 14 8.599 -9.348 -4.627 1.00 0.32 O ATOM 180 CB ASP A 14 8.299 -11.165 -7.344 1.00 0.55 C ATOM 181 CG ASP A 14 7.775 -12.319 -8.176 1.00 0.72 C ATOM 182 OD1 ASP A 14 6.719 -12.157 -8.824 1.00 0.81 O ATOM 183 OD2 ASP A 14 8.408 -13.393 -8.184 1.00 0.85 O ATOM 0 H ASP A 14 6.422 -9.740 -5.912 1.00 0.49 H new ATOM 0 HA ASP A 14 7.862 -12.299 -5.572 1.00 0.49 H new ATOM 0 HB2 ASP A 14 7.944 -10.226 -7.768 1.00 0.55 H new ATOM 0 HB3 ASP A 14 9.388 -11.148 -7.398 1.00 0.55 H new ATOM 188 N ALA A 15 9.963 -11.129 -4.706 1.00 0.41 N ATOM 189 CA ALA A 15 11.008 -10.521 -3.909 1.00 0.36 C ATOM 190 C ALA A 15 12.173 -10.099 -4.795 1.00 0.40 C ATOM 191 O ALA A 15 12.335 -10.600 -5.909 1.00 0.47 O ATOM 192 CB ALA A 15 11.475 -11.468 -2.821 1.00 0.42 C ATOM 0 H ALA A 15 10.167 -12.083 -5.003 1.00 0.41 H new ATOM 0 HA ALA A 15 10.601 -9.631 -3.429 1.00 0.36 H new ATOM 0 HB1 ALA A 15 12.260 -10.990 -2.235 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.637 -11.716 -2.170 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.865 -12.379 -3.274 1.00 0.42 H new ATOM 198 N GLY A 16 12.961 -9.161 -4.304 1.00 0.40 N ATOM 199 CA GLY A 16 14.060 -8.619 -5.074 1.00 0.48 C ATOM 200 C GLY A 16 14.695 -7.450 -4.357 1.00 0.49 C ATOM 201 O GLY A 16 14.915 -7.516 -3.147 1.00 1.04 O ATOM 0 H GLY A 16 12.858 -8.759 -3.372 1.00 0.40 H new ATOM 0 HA2 GLY A 16 14.806 -9.395 -5.246 1.00 0.48 H new ATOM 0 HA3 GLY A 16 13.701 -8.300 -6.052 1.00 0.48 H new ATOM 205 N GLN A 17 14.978 -6.374 -5.079 1.00 0.52 N ATOM 206 CA GLN A 17 15.483 -5.165 -4.447 1.00 0.49 C ATOM 207 C GLN A 17 14.318 -4.381 -3.863 1.00 0.39 C ATOM 208 O GLN A 17 13.723 -3.528 -4.527 1.00 0.41 O ATOM 209 CB GLN A 17 16.268 -4.302 -5.433 1.00 0.61 C ATOM 210 CG GLN A 17 16.855 -3.060 -4.786 1.00 0.67 C ATOM 211 CD GLN A 17 17.643 -2.201 -5.750 1.00 0.93 C ATOM 212 OE1 GLN A 17 17.364 -2.169 -6.950 1.00 1.56 O ATOM 213 NE2 GLN A 17 18.628 -1.489 -5.228 1.00 1.52 N ATOM 0 H GLN A 17 14.868 -6.314 -6.091 1.00 0.52 H new ATOM 0 HA GLN A 17 16.169 -5.451 -3.650 1.00 0.49 H new ATOM 0 HB2 GLN A 17 17.073 -4.895 -5.868 1.00 0.61 H new ATOM 0 HB3 GLN A 17 15.612 -4.005 -6.252 1.00 0.61 H new ATOM 0 HG2 GLN A 17 16.048 -2.466 -4.357 1.00 0.67 H new ATOM 0 HG3 GLN A 17 17.504 -3.359 -3.963 1.00 0.67 H new ATOM 0 HE21 GLN A 17 18.824 -1.546 -4.229 1.00 1.52 H new ATOM 0 HE22 GLN A 17 19.191 -0.883 -5.825 1.00 1.52 H new ATOM 222 N LEU A 18 13.989 -4.692 -2.625 1.00 0.34 N ATOM 223 CA LEU A 18 12.832 -4.108 -1.977 1.00 0.27 C ATOM 224 C LEU A 18 13.212 -2.873 -1.171 1.00 0.31 C ATOM 225 O LEU A 18 14.139 -2.905 -0.358 1.00 0.42 O ATOM 226 CB LEU A 18 12.161 -5.139 -1.070 1.00 0.24 C ATOM 227 CG LEU A 18 11.634 -6.385 -1.784 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.303 -7.480 -0.784 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.409 -6.037 -2.608 1.00 0.17 C ATOM 0 H LEU A 18 14.510 -5.350 -2.045 1.00 0.34 H new ATOM 0 HA LEU A 18 12.132 -3.801 -2.754 1.00 0.27 H new ATOM 0 HB2 LEU A 18 12.876 -5.451 -0.309 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.332 -4.658 -0.551 1.00 0.24 H new ATOM 0 HG LEU A 18 12.414 -6.755 -2.450 1.00 0.21 H new ATOM 0 HD11 LEU A 18 10.930 -8.356 -1.314 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.201 -7.748 -0.227 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.540 -7.123 -0.092 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.043 -6.932 -3.112 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.630 -5.644 -1.954 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.672 -5.284 -3.351 1.00 0.17 H new ATOM 241 N VAL A 19 12.481 -1.797 -1.397 1.00 0.29 N ATOM 242 CA VAL A 19 12.659 -0.568 -0.649 1.00 0.32 C ATOM 243 C VAL A 19 11.556 -0.476 0.394 1.00 0.30 C ATOM 244 O VAL A 19 10.374 -0.646 0.084 1.00 0.27 O ATOM 245 CB VAL A 19 12.656 0.683 -1.569 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.403 0.749 -2.433 1.00 0.34 C ATOM 247 CG2 VAL A 19 12.804 1.958 -0.750 1.00 0.42 C ATOM 0 H VAL A 19 11.748 -1.751 -2.104 1.00 0.29 H new ATOM 0 HA VAL A 19 13.635 -0.589 -0.164 1.00 0.32 H new ATOM 0 HB VAL A 19 13.513 0.594 -2.236 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.441 1.639 -3.061 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.349 -0.138 -3.064 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.522 0.794 -1.793 1.00 0.34 H new ATOM 0 HG21 VAL A 19 12.799 2.821 -1.416 1.00 0.42 H new ATOM 0 HG22 VAL A 19 11.975 2.037 -0.047 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.744 1.930 -0.200 1.00 0.42 H new ATOM 257 N SER A 20 11.945 -0.243 1.632 1.00 0.34 N ATOM 258 CA SER A 20 11.018 -0.353 2.738 1.00 0.33 C ATOM 259 C SER A 20 10.568 1.009 3.234 1.00 0.33 C ATOM 260 O SER A 20 11.283 2.006 3.117 1.00 0.35 O ATOM 261 CB SER A 20 11.666 -1.144 3.874 1.00 0.39 C ATOM 262 OG SER A 20 10.747 -1.384 4.924 1.00 0.47 O ATOM 0 H SER A 20 12.894 0.023 1.896 1.00 0.34 H new ATOM 0 HA SER A 20 10.131 -0.879 2.385 1.00 0.33 H new ATOM 0 HB2 SER A 20 12.040 -2.094 3.491 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.525 -0.594 4.259 1.00 0.39 H new ATOM 0 HG SER A 20 11.189 -1.893 5.635 1.00 0.47 H new ATOM 268 N CYS A 21 9.371 1.025 3.794 1.00 0.33 N ATOM 269 CA CYS A 21 8.799 2.222 4.371 1.00 0.35 C ATOM 270 C CYS A 21 9.535 2.545 5.665 1.00 0.40 C ATOM 271 O CYS A 21 9.703 1.670 6.514 1.00 0.43 O ATOM 272 CB CYS A 21 7.316 1.983 4.653 1.00 0.37 C ATOM 273 SG CYS A 21 6.342 3.476 4.932 1.00 0.34 S ATOM 0 H CYS A 21 8.769 0.204 3.860 1.00 0.33 H new ATOM 0 HA CYS A 21 8.899 3.060 3.681 1.00 0.35 H new ATOM 0 HB2 CYS A 21 6.885 1.438 3.813 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.227 1.340 5.529 1.00 0.37 H new ATOM 0 HG CYS A 21 5.196 3.366 4.328 1.00 0.34 H new ATOM 278 N LYS A 22 9.975 3.784 5.824 1.00 0.52 N ATOM 279 CA LYS A 22 10.723 4.159 7.014 1.00 0.61 C ATOM 280 C LYS A 22 9.772 4.702 8.076 1.00 0.63 C ATOM 281 O LYS A 22 10.071 5.665 8.784 1.00 0.78 O ATOM 282 CB LYS A 22 11.816 5.172 6.665 1.00 0.74 C ATOM 283 CG LYS A 22 12.897 5.284 7.731 1.00 1.35 C ATOM 284 CD LYS A 22 14.118 6.042 7.234 1.00 1.65 C ATOM 285 CE LYS A 22 14.795 5.329 6.070 1.00 2.25 C ATOM 286 NZ LYS A 22 15.167 3.927 6.403 1.00 2.79 N ATOM 0 H LYS A 22 9.830 4.538 5.153 1.00 0.52 H new ATOM 0 HA LYS A 22 11.215 3.276 7.421 1.00 0.61 H new ATOM 0 HB2 LYS A 22 12.277 4.887 5.719 1.00 0.74 H new ATOM 0 HB3 LYS A 22 11.360 6.151 6.516 1.00 0.74 H new ATOM 0 HG2 LYS A 22 12.490 5.789 8.607 1.00 1.35 H new ATOM 0 HG3 LYS A 22 13.196 4.285 8.049 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.822 7.044 6.923 1.00 1.65 H new ATOM 0 HD3 LYS A 22 14.830 6.159 8.051 1.00 1.65 H new ATOM 0 HE2 LYS A 22 14.127 5.330 5.209 1.00 2.25 H new ATOM 0 HE3 LYS A 22 15.689 5.880 5.780 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 15.798 3.551 5.667 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 15.656 3.906 7.321 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 14.308 3.343 6.455 1.00 2.79 H new ATOM 300 N LYS A 23 8.612 4.074 8.157 1.00 0.60 N ATOM 301 CA LYS A 23 7.610 4.408 9.154 1.00 0.66 C ATOM 302 C LYS A 23 7.377 3.216 10.071 1.00 0.65 C ATOM 303 O LYS A 23 6.800 2.212 9.648 1.00 0.61 O ATOM 304 CB LYS A 23 6.293 4.806 8.475 1.00 0.75 C ATOM 305 CG LYS A 23 6.309 6.196 7.853 1.00 1.23 C ATOM 306 CD LYS A 23 6.341 7.283 8.919 1.00 1.50 C ATOM 307 CE LYS A 23 6.339 8.671 8.299 1.00 1.95 C ATOM 308 NZ LYS A 23 6.197 9.738 9.323 1.00 2.27 N ATOM 0 H LYS A 23 8.338 3.316 7.532 1.00 0.60 H new ATOM 0 HA LYS A 23 7.970 5.252 9.743 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.061 4.076 7.700 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.489 4.758 9.209 1.00 0.75 H new ATOM 0 HG2 LYS A 23 7.179 6.296 7.204 1.00 1.23 H new ATOM 0 HG3 LYS A 23 5.427 6.326 7.226 1.00 1.23 H new ATOM 0 HD2 LYS A 23 5.478 7.175 9.576 1.00 1.50 H new ATOM 0 HD3 LYS A 23 7.230 7.161 9.538 1.00 1.50 H new ATOM 0 HE2 LYS A 23 7.265 8.822 7.745 1.00 1.95 H new ATOM 0 HE3 LYS A 23 5.522 8.746 7.581 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 6.200 10.668 8.858 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 5.301 9.610 9.835 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 6.990 9.683 9.994 1.00 2.27 H new ATOM 322 N PRO A 24 7.837 3.296 11.332 1.00 0.77 N ATOM 323 CA PRO A 24 7.628 2.228 12.314 1.00 0.83 C ATOM 324 C PRO A 24 6.155 1.844 12.428 1.00 0.80 C ATOM 325 O PRO A 24 5.285 2.707 12.580 1.00 0.86 O ATOM 326 CB PRO A 24 8.125 2.847 13.622 1.00 1.01 C ATOM 327 CG PRO A 24 9.118 3.872 13.199 1.00 1.18 C ATOM 328 CD PRO A 24 8.605 4.423 11.894 1.00 0.93 C ATOM 0 HA PRO A 24 8.147 1.308 12.043 1.00 0.83 H new ATOM 0 HB2 PRO A 24 7.306 3.296 14.184 1.00 1.01 H new ATOM 0 HB3 PRO A 24 8.581 2.096 14.268 1.00 1.01 H new ATOM 0 HG2 PRO A 24 9.211 4.659 13.947 1.00 1.18 H new ATOM 0 HG3 PRO A 24 10.107 3.431 13.076 1.00 1.18 H new ATOM 0 HD2 PRO A 24 7.978 5.302 12.046 1.00 0.93 H new ATOM 0 HD3 PRO A 24 9.420 4.723 11.235 1.00 0.93 H new ATOM 336 N GLY A 25 5.876 0.553 12.345 1.00 0.76 N ATOM 337 CA GLY A 25 4.505 0.088 12.374 1.00 0.75 C ATOM 338 C GLY A 25 4.022 -0.316 10.997 1.00 0.65 C ATOM 339 O GLY A 25 3.024 -1.026 10.863 1.00 0.83 O ATOM 0 H GLY A 25 6.576 -0.183 12.258 1.00 0.76 H new ATOM 0 HA2 GLY A 25 4.423 -0.761 13.052 1.00 0.75 H new ATOM 0 HA3 GLY A 25 3.862 0.875 12.769 1.00 0.75 H new ATOM 343 N CYS A 26 4.722 0.149 9.972 1.00 0.48 N ATOM 344 CA CYS A 26 4.412 -0.210 8.600 1.00 0.39 C ATOM 345 C CYS A 26 5.348 -1.324 8.145 1.00 0.34 C ATOM 346 O CYS A 26 6.524 -1.080 7.880 1.00 0.40 O ATOM 347 CB CYS A 26 4.576 1.017 7.703 1.00 0.44 C ATOM 348 SG CYS A 26 3.937 0.831 6.024 1.00 0.35 S ATOM 0 H CYS A 26 5.516 0.782 10.069 1.00 0.48 H new ATOM 0 HA CYS A 26 3.382 -0.562 8.534 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.074 1.862 8.174 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.635 1.267 7.646 1.00 0.44 H new ATOM 0 HG CYS A 26 2.980 1.689 5.826 1.00 0.35 H new ATOM 353 N PRO A 27 4.846 -2.563 8.059 1.00 0.37 N ATOM 354 CA PRO A 27 5.650 -3.719 7.702 1.00 0.45 C ATOM 355 C PRO A 27 5.579 -4.050 6.215 1.00 0.45 C ATOM 356 O PRO A 27 5.733 -5.205 5.821 1.00 0.66 O ATOM 357 CB PRO A 27 4.979 -4.816 8.525 1.00 0.57 C ATOM 358 CG PRO A 27 3.525 -4.460 8.490 1.00 0.57 C ATOM 359 CD PRO A 27 3.450 -2.953 8.329 1.00 0.44 C ATOM 0 HA PRO A 27 6.713 -3.576 7.897 1.00 0.45 H new ATOM 0 HB2 PRO A 27 5.159 -5.802 8.097 1.00 0.57 H new ATOM 0 HB3 PRO A 27 5.360 -4.838 9.546 1.00 0.57 H new ATOM 0 HG2 PRO A 27 3.023 -4.963 7.664 1.00 0.57 H new ATOM 0 HG3 PRO A 27 3.027 -4.777 9.406 1.00 0.57 H new ATOM 0 HD2 PRO A 27 2.789 -2.670 7.510 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.066 -2.472 9.229 1.00 0.44 H new ATOM 367 N LYS A 28 5.351 -3.039 5.390 1.00 0.30 N ATOM 368 CA LYS A 28 5.169 -3.260 3.963 1.00 0.30 C ATOM 369 C LYS A 28 6.384 -2.796 3.166 1.00 0.27 C ATOM 370 O LYS A 28 7.029 -1.804 3.513 1.00 0.31 O ATOM 371 CB LYS A 28 3.899 -2.560 3.471 1.00 0.32 C ATOM 372 CG LYS A 28 2.908 -3.507 2.802 1.00 0.42 C ATOM 373 CD LYS A 28 2.548 -4.675 3.712 1.00 0.52 C ATOM 374 CE LYS A 28 1.499 -5.573 3.080 1.00 0.70 C ATOM 375 NZ LYS A 28 1.278 -6.810 3.875 1.00 1.00 N ATOM 0 H LYS A 28 5.288 -2.064 5.681 1.00 0.30 H new ATOM 0 HA LYS A 28 5.061 -4.333 3.802 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.411 -2.072 4.315 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.175 -1.776 2.765 1.00 0.32 H new ATOM 0 HG2 LYS A 28 2.004 -2.960 2.536 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.336 -3.886 1.874 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.443 -5.257 3.929 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.177 -4.295 4.664 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.560 -5.027 2.989 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.811 -5.841 2.070 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.555 -7.396 3.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 2.168 -7.344 3.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.956 -6.556 4.831 1.00 1.00 H new ATOM 389 N VAL A 29 6.677 -3.517 2.090 1.00 0.23 N ATOM 390 CA VAL A 29 7.853 -3.250 1.279 1.00 0.20 C ATOM 391 C VAL A 29 7.503 -3.408 -0.207 1.00 0.18 C ATOM 392 O VAL A 29 6.558 -4.124 -0.554 1.00 0.21 O ATOM 393 CB VAL A 29 9.004 -4.203 1.671 1.00 0.22 C ATOM 394 CG1 VAL A 29 8.848 -5.562 1.021 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.353 -3.600 1.346 1.00 0.44 C ATOM 0 H VAL A 29 6.109 -4.297 1.759 1.00 0.23 H new ATOM 0 HA VAL A 29 8.184 -2.227 1.456 1.00 0.20 H new ATOM 0 HB VAL A 29 8.952 -4.345 2.750 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.676 -6.205 1.320 1.00 0.31 H new ATOM 0 HG12 VAL A 29 7.907 -6.011 1.338 1.00 0.31 H new ATOM 0 HG13 VAL A 29 8.849 -5.449 -0.063 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.141 -4.295 1.634 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.415 -3.404 0.276 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.475 -2.666 1.894 1.00 0.44 H new ATOM 405 N TYR A 30 8.247 -2.731 -1.073 1.00 0.19 N ATOM 406 CA TYR A 30 7.948 -2.714 -2.505 1.00 0.20 C ATOM 407 C TYR A 30 9.235 -2.575 -3.301 1.00 0.20 C ATOM 408 O TYR A 30 10.283 -2.291 -2.740 1.00 0.21 O ATOM 409 CB TYR A 30 7.034 -1.530 -2.855 1.00 0.29 C ATOM 410 CG TYR A 30 5.700 -1.510 -2.136 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.633 -2.285 -2.580 1.00 0.44 C ATOM 412 CD2 TYR A 30 5.510 -0.721 -1.010 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.418 -2.270 -1.921 1.00 0.55 C ATOM 414 CE2 TYR A 30 4.299 -0.704 -0.347 1.00 0.57 C ATOM 415 CZ TYR A 30 3.245 -1.466 -0.829 1.00 0.60 C ATOM 416 OH TYR A 30 2.048 -1.456 -0.148 1.00 0.72 O ATOM 0 H TYR A 30 9.066 -2.183 -0.810 1.00 0.19 H new ATOM 0 HA TYR A 30 7.446 -3.649 -2.755 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.564 -0.604 -2.630 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.850 -1.539 -3.929 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.756 -2.908 -3.453 1.00 0.44 H new ATOM 0 HD2 TYR A 30 6.323 -0.110 -0.646 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.607 -2.892 -2.268 1.00 0.55 H new ATOM 0 HE2 TYR A 30 4.173 -0.102 0.541 1.00 0.57 H new ATOM 0 HH TYR A 30 1.615 -2.331 -0.235 1.00 0.72 H new ATOM 426 N HIS A 31 9.160 -2.791 -4.604 1.00 0.23 N ATOM 427 CA HIS A 31 10.282 -2.480 -5.483 1.00 0.26 C ATOM 428 C HIS A 31 10.164 -1.030 -5.911 1.00 0.32 C ATOM 429 O HIS A 31 9.062 -0.524 -6.112 1.00 0.35 O ATOM 430 CB HIS A 31 10.297 -3.348 -6.748 1.00 0.28 C ATOM 431 CG HIS A 31 10.240 -4.818 -6.515 1.00 0.26 C ATOM 432 ND1 HIS A 31 9.216 -5.574 -7.023 1.00 0.30 N ATOM 433 CD2 HIS A 31 11.105 -5.622 -5.860 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.470 -6.821 -6.664 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.612 -6.902 -5.958 1.00 0.28 N ATOM 0 H HIS A 31 8.342 -3.177 -5.076 1.00 0.23 H new ATOM 0 HA HIS A 31 11.201 -2.675 -4.930 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.451 -3.063 -7.373 1.00 0.28 H new ATOM 0 HB3 HIS A 31 11.201 -3.122 -7.313 1.00 0.28 H new ATOM 0 HD2 HIS A 31 12.010 -5.318 -5.356 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.842 -7.665 -6.906 1.00 0.31 H new ATOM 0 HE2 HIS A 31 11.031 -7.748 -5.571 1.00 0.28 H new ATOM 443 N ALA A 32 11.291 -0.365 -6.059 1.00 0.38 N ATOM 444 CA ALA A 32 11.290 1.019 -6.487 1.00 0.45 C ATOM 445 C ALA A 32 10.829 1.137 -7.937 1.00 0.48 C ATOM 446 O ALA A 32 10.207 2.126 -8.320 1.00 0.55 O ATOM 447 CB ALA A 32 12.668 1.627 -6.304 1.00 0.53 C ATOM 0 H ALA A 32 12.217 -0.759 -5.890 1.00 0.38 H new ATOM 0 HA ALA A 32 10.585 1.573 -5.867 1.00 0.45 H new ATOM 0 HB1 ALA A 32 12.653 2.667 -6.630 1.00 0.53 H new ATOM 0 HB2 ALA A 32 12.950 1.580 -5.252 1.00 0.53 H new ATOM 0 HB3 ALA A 32 13.393 1.071 -6.899 1.00 0.53 H new ATOM 453 N ASP A 33 11.129 0.118 -8.737 1.00 0.48 N ATOM 454 CA ASP A 33 10.765 0.119 -10.152 1.00 0.55 C ATOM 455 C ASP A 33 9.250 0.040 -10.361 1.00 0.54 C ATOM 456 O ASP A 33 8.706 0.759 -11.200 1.00 0.62 O ATOM 457 CB ASP A 33 11.470 -1.017 -10.907 1.00 0.60 C ATOM 458 CG ASP A 33 11.102 -2.392 -10.398 1.00 1.35 C ATOM 459 OD1 ASP A 33 10.191 -3.014 -10.975 1.00 1.90 O ATOM 460 OD2 ASP A 33 11.707 -2.849 -9.409 1.00 2.01 O ATOM 0 H ASP A 33 11.623 -0.720 -8.430 1.00 0.48 H new ATOM 0 HA ASP A 33 11.103 1.071 -10.561 1.00 0.55 H new ATOM 0 HB2 ASP A 33 11.220 -0.950 -11.966 1.00 0.60 H new ATOM 0 HB3 ASP A 33 12.549 -0.884 -10.825 1.00 0.60 H new ATOM 465 N CYS A 34 8.562 -0.813 -9.602 1.00 0.48 N ATOM 466 CA CYS A 34 7.110 -0.950 -9.745 1.00 0.52 C ATOM 467 C CYS A 34 6.396 0.258 -9.147 1.00 0.56 C ATOM 468 O CYS A 34 5.225 0.516 -9.430 1.00 0.67 O ATOM 469 CB CYS A 34 6.616 -2.255 -9.096 1.00 0.50 C ATOM 470 SG CYS A 34 7.333 -2.589 -7.472 1.00 0.44 S ATOM 0 H CYS A 34 8.979 -1.413 -8.890 1.00 0.48 H new ATOM 0 HA CYS A 34 6.875 -0.994 -10.808 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.531 -2.212 -9.000 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.845 -3.088 -9.761 1.00 0.50 H new ATOM 0 HG CYS A 34 7.892 -1.508 -7.014 1.00 0.44 H new ATOM 475 N LEU A 35 7.116 0.998 -8.315 1.00 0.52 N ATOM 476 CA LEU A 35 6.621 2.257 -7.780 1.00 0.58 C ATOM 477 C LEU A 35 6.965 3.408 -8.721 1.00 0.67 C ATOM 478 O LEU A 35 6.610 4.560 -8.467 1.00 0.74 O ATOM 479 CB LEU A 35 7.228 2.518 -6.405 1.00 0.55 C ATOM 480 CG LEU A 35 6.836 1.532 -5.307 1.00 0.49 C ATOM 481 CD1 LEU A 35 7.704 1.754 -4.086 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.368 1.684 -4.940 1.00 0.54 C ATOM 0 H LEU A 35 8.051 0.745 -7.995 1.00 0.52 H new ATOM 0 HA LEU A 35 5.537 2.190 -7.687 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.314 2.513 -6.501 1.00 0.55 H new ATOM 0 HB3 LEU A 35 6.941 3.520 -6.086 1.00 0.55 H new ATOM 0 HG LEU A 35 6.990 0.519 -5.680 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.421 1.048 -3.305 1.00 0.48 H new ATOM 0 HD12 LEU A 35 8.750 1.602 -4.351 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.567 2.772 -3.722 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.113 0.971 -4.156 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.185 2.697 -4.582 1.00 0.54 H new ATOM 0 HD23 LEU A 35 4.752 1.493 -5.818 1.00 0.54 H new ATOM 494 N ASN A 36 7.665 3.072 -9.806 1.00 0.68 N ATOM 495 CA ASN A 36 8.089 4.039 -10.820 1.00 0.77 C ATOM 496 C ASN A 36 9.010 5.100 -10.231 1.00 0.78 C ATOM 497 O ASN A 36 9.037 6.245 -10.688 1.00 0.87 O ATOM 498 CB ASN A 36 6.882 4.689 -11.501 1.00 0.86 C ATOM 499 CG ASN A 36 6.151 3.731 -12.422 1.00 1.46 C ATOM 500 OD1 ASN A 36 6.487 3.607 -13.600 1.00 2.09 O ATOM 501 ND2 ASN A 36 5.139 3.054 -11.901 1.00 2.13 N ATOM 0 H ASN A 36 7.955 2.115 -10.007 1.00 0.68 H new ATOM 0 HA ASN A 36 8.653 3.491 -11.575 1.00 0.77 H new ATOM 0 HB2 ASN A 36 6.192 5.054 -10.740 1.00 0.86 H new ATOM 0 HB3 ASN A 36 7.214 5.556 -12.073 1.00 0.86 H new ATOM 0 HD21 ASN A 36 4.609 2.403 -12.480 1.00 2.13 H new ATOM 0 HD22 ASN A 36 4.890 3.183 -10.920 1.00 2.13 H new ATOM 508 N LEU A 37 9.781 4.704 -9.230 1.00 0.71 N ATOM 509 CA LEU A 37 10.724 5.600 -8.589 1.00 0.75 C ATOM 510 C LEU A 37 12.050 5.595 -9.336 1.00 0.83 C ATOM 511 O LEU A 37 12.965 4.837 -8.997 1.00 0.88 O ATOM 512 CB LEU A 37 10.941 5.193 -7.129 1.00 0.69 C ATOM 513 CG LEU A 37 9.725 5.360 -6.213 1.00 0.69 C ATOM 514 CD1 LEU A 37 10.020 4.810 -4.827 1.00 0.69 C ATOM 515 CD2 LEU A 37 9.321 6.824 -6.118 1.00 0.78 C ATOM 0 H LEU A 37 9.770 3.760 -8.843 1.00 0.71 H new ATOM 0 HA LEU A 37 10.312 6.609 -8.613 1.00 0.75 H new ATOM 0 HB2 LEU A 37 11.253 4.149 -7.103 1.00 0.69 H new ATOM 0 HB3 LEU A 37 11.764 5.782 -6.724 1.00 0.69 H new ATOM 0 HG LEU A 37 8.897 4.797 -6.644 1.00 0.69 H new ATOM 0 HD11 LEU A 37 9.144 4.938 -4.191 1.00 0.69 H new ATOM 0 HD12 LEU A 37 10.264 3.750 -4.900 1.00 0.69 H new ATOM 0 HD13 LEU A 37 10.864 5.347 -4.394 1.00 0.69 H new ATOM 0 HD21 LEU A 37 8.455 6.921 -5.463 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.150 7.405 -5.713 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.068 7.197 -7.111 1.00 0.78 H new ATOM 527 N THR A 38 12.144 6.422 -10.369 1.00 0.91 N ATOM 528 CA THR A 38 13.379 6.569 -11.117 1.00 1.03 C ATOM 529 C THR A 38 14.448 7.194 -10.224 1.00 1.04 C ATOM 530 O THR A 38 15.613 6.802 -10.252 1.00 1.14 O ATOM 531 CB THR A 38 13.158 7.447 -12.364 1.00 1.16 C ATOM 532 OG1 THR A 38 12.017 6.973 -13.095 1.00 1.43 O ATOM 533 CG2 THR A 38 14.382 7.436 -13.267 1.00 1.59 C ATOM 0 H THR A 38 11.375 7.002 -10.706 1.00 0.91 H new ATOM 0 HA THR A 38 13.709 5.583 -11.444 1.00 1.03 H new ATOM 0 HB THR A 38 12.985 8.471 -12.033 1.00 1.16 H new ATOM 0 HG1 THR A 38 11.879 7.535 -13.886 1.00 1.43 H new ATOM 0 HG21 THR A 38 14.197 8.064 -14.139 1.00 1.59 H new ATOM 0 HG22 THR A 38 15.242 7.821 -12.719 1.00 1.59 H new ATOM 0 HG23 THR A 38 14.585 6.416 -13.592 1.00 1.59 H new ATOM 541 N LYS A 39 14.025 8.152 -9.414 1.00 0.99 N ATOM 542 CA LYS A 39 14.888 8.761 -8.422 1.00 1.02 C ATOM 543 C LYS A 39 14.688 8.067 -7.081 1.00 0.94 C ATOM 544 O LYS A 39 13.603 8.134 -6.499 1.00 0.96 O ATOM 545 CB LYS A 39 14.570 10.252 -8.294 1.00 1.12 C ATOM 546 CG LYS A 39 15.359 10.962 -7.205 1.00 1.57 C ATOM 547 CD LYS A 39 14.867 12.387 -7.009 1.00 1.98 C ATOM 548 CE LYS A 39 15.591 13.082 -5.867 1.00 2.58 C ATOM 549 NZ LYS A 39 15.008 14.419 -5.578 1.00 3.17 N ATOM 0 H LYS A 39 13.076 8.526 -9.428 1.00 0.99 H new ATOM 0 HA LYS A 39 15.927 8.651 -8.733 1.00 1.02 H new ATOM 0 HB2 LYS A 39 14.769 10.739 -9.249 1.00 1.12 H new ATOM 0 HB3 LYS A 39 13.505 10.370 -8.092 1.00 1.12 H new ATOM 0 HG2 LYS A 39 15.268 10.411 -6.269 1.00 1.57 H new ATOM 0 HG3 LYS A 39 16.417 10.973 -7.467 1.00 1.57 H new ATOM 0 HD2 LYS A 39 15.013 12.952 -7.930 1.00 1.98 H new ATOM 0 HD3 LYS A 39 13.796 12.377 -6.808 1.00 1.98 H new ATOM 0 HE2 LYS A 39 15.539 12.462 -4.972 1.00 2.58 H new ATOM 0 HE3 LYS A 39 16.646 13.192 -6.118 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 15.528 14.862 -4.794 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 15.080 15.019 -6.424 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 14.008 14.312 -5.314 1.00 3.17 H new ATOM 563 N ARG A 40 15.720 7.380 -6.612 1.00 0.97 N ATOM 564 CA ARG A 40 15.653 6.686 -5.334 1.00 0.95 C ATOM 565 C ARG A 40 15.530 7.690 -4.190 1.00 0.91 C ATOM 566 O ARG A 40 16.415 8.525 -3.993 1.00 1.01 O ATOM 567 CB ARG A 40 16.895 5.815 -5.132 1.00 1.10 C ATOM 568 CG ARG A 40 16.898 5.050 -3.817 1.00 1.80 C ATOM 569 CD ARG A 40 18.189 4.274 -3.633 1.00 1.93 C ATOM 570 NE ARG A 40 18.236 3.567 -2.353 1.00 2.49 N ATOM 571 CZ ARG A 40 19.360 3.129 -1.787 1.00 2.88 C ATOM 572 NH1 ARG A 40 20.534 3.346 -2.372 1.00 2.66 N ATOM 573 NH2 ARG A 40 19.312 2.472 -0.636 1.00 3.84 N ATOM 0 H ARG A 40 16.613 7.288 -7.097 1.00 0.97 H new ATOM 0 HA ARG A 40 14.771 6.045 -5.338 1.00 0.95 H new ATOM 0 HB2 ARG A 40 16.968 5.105 -5.956 1.00 1.10 H new ATOM 0 HB3 ARG A 40 17.782 6.447 -5.177 1.00 1.10 H new ATOM 0 HG2 ARG A 40 16.769 5.746 -2.989 1.00 1.80 H new ATOM 0 HG3 ARG A 40 16.052 4.363 -3.791 1.00 1.80 H new ATOM 0 HD2 ARG A 40 18.297 3.556 -4.446 1.00 1.93 H new ATOM 0 HD3 ARG A 40 19.034 4.959 -3.698 1.00 1.93 H new ATOM 0 HE ARG A 40 17.356 3.399 -1.865 1.00 2.49 H new ATOM 0 HH11 ARG A 40 20.577 3.850 -3.258 1.00 2.66 H new ATOM 0 HH12 ARG A 40 21.392 3.009 -1.935 1.00 2.66 H new ATOM 0 HH21 ARG A 40 18.414 2.302 -0.183 1.00 3.84 H new ATOM 0 HH22 ARG A 40 20.173 2.137 -0.204 1.00 3.84 H new ATOM 587 N PRO A 41 14.425 7.632 -3.431 1.00 0.85 N ATOM 588 CA PRO A 41 14.189 8.555 -2.320 1.00 0.87 C ATOM 589 C PRO A 41 15.188 8.357 -1.186 1.00 0.96 C ATOM 590 O PRO A 41 15.455 7.229 -0.766 1.00 1.05 O ATOM 591 CB PRO A 41 12.771 8.209 -1.855 1.00 0.88 C ATOM 592 CG PRO A 41 12.551 6.809 -2.307 1.00 0.96 C ATOM 593 CD PRO A 41 13.322 6.669 -3.593 1.00 0.86 C ATOM 0 HA PRO A 41 14.304 9.595 -2.624 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.679 8.294 -0.772 1.00 0.88 H new ATOM 0 HB3 PRO A 41 12.036 8.885 -2.292 1.00 0.88 H new ATOM 0 HG2 PRO A 41 12.903 6.097 -1.560 1.00 0.96 H new ATOM 0 HG3 PRO A 41 11.491 6.610 -2.463 1.00 0.96 H new ATOM 0 HD2 PRO A 41 13.692 5.653 -3.732 1.00 0.86 H new ATOM 0 HD3 PRO A 41 12.705 6.905 -4.460 1.00 0.86 H new ATOM 601 N ALA A 42 15.742 9.455 -0.702 1.00 1.05 N ATOM 602 CA ALA A 42 16.707 9.410 0.383 1.00 1.18 C ATOM 603 C ALA A 42 16.093 9.965 1.662 1.00 1.15 C ATOM 604 O ALA A 42 15.335 10.939 1.621 1.00 1.21 O ATOM 605 CB ALA A 42 17.955 10.194 0.008 1.00 1.41 C ATOM 0 H ALA A 42 15.539 10.394 -1.045 1.00 1.05 H new ATOM 0 HA ALA A 42 16.988 8.372 0.558 1.00 1.18 H new ATOM 0 HB1 ALA A 42 18.671 10.153 0.829 1.00 1.41 H new ATOM 0 HB2 ALA A 42 18.403 9.760 -0.886 1.00 1.41 H new ATOM 0 HB3 ALA A 42 17.687 11.232 -0.188 1.00 1.41 H new ATOM 611 N GLY A 43 16.399 9.337 2.788 1.00 1.17 N ATOM 612 CA GLY A 43 15.898 9.816 4.059 1.00 1.18 C ATOM 613 C GLY A 43 14.638 9.096 4.469 1.00 1.04 C ATOM 614 O GLY A 43 14.537 7.879 4.317 1.00 1.12 O ATOM 0 H GLY A 43 16.985 8.504 2.844 1.00 1.17 H new ATOM 0 HA2 GLY A 43 16.661 9.680 4.826 1.00 1.18 H new ATOM 0 HA3 GLY A 43 15.701 10.886 3.992 1.00 1.18 H new ATOM 618 N LYS A 44 13.671 9.837 4.980 1.00 1.00 N ATOM 619 CA LYS A 44 12.413 9.247 5.388 1.00 0.92 C ATOM 620 C LYS A 44 11.494 9.094 4.190 1.00 0.80 C ATOM 621 O LYS A 44 10.961 10.076 3.673 1.00 0.84 O ATOM 622 CB LYS A 44 11.730 10.110 6.448 1.00 1.04 C ATOM 623 CG LYS A 44 12.549 10.292 7.712 1.00 1.53 C ATOM 624 CD LYS A 44 11.844 11.210 8.698 1.00 1.94 C ATOM 625 CE LYS A 44 12.644 11.374 9.979 1.00 2.69 C ATOM 626 NZ LYS A 44 12.872 10.074 10.662 1.00 3.46 N ATOM 0 H LYS A 44 13.734 10.845 5.121 1.00 1.00 H new ATOM 0 HA LYS A 44 12.620 8.265 5.813 1.00 0.92 H new ATOM 0 HB2 LYS A 44 11.515 11.090 6.022 1.00 1.04 H new ATOM 0 HB3 LYS A 44 10.773 9.659 6.709 1.00 1.04 H new ATOM 0 HG2 LYS A 44 12.725 9.322 8.177 1.00 1.53 H new ATOM 0 HG3 LYS A 44 13.525 10.707 7.459 1.00 1.53 H new ATOM 0 HD2 LYS A 44 11.687 12.186 8.239 1.00 1.94 H new ATOM 0 HD3 LYS A 44 10.859 10.806 8.932 1.00 1.94 H new ATOM 0 HE2 LYS A 44 13.604 11.837 9.750 1.00 2.69 H new ATOM 0 HE3 LYS A 44 12.116 12.050 10.652 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 13.205 10.245 11.632 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 11.982 9.536 10.691 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 13.589 9.529 10.141 1.00 3.46 H new ATOM 640 N TRP A 45 11.313 7.865 3.751 1.00 0.72 N ATOM 641 CA TRP A 45 10.400 7.586 2.666 1.00 0.62 C ATOM 642 C TRP A 45 9.122 6.966 3.208 1.00 0.53 C ATOM 643 O TRP A 45 9.157 5.987 3.961 1.00 0.53 O ATOM 644 CB TRP A 45 11.040 6.666 1.624 1.00 0.62 C ATOM 645 CG TRP A 45 10.086 6.272 0.537 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.602 7.072 -0.457 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.490 4.985 0.343 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.740 6.363 -1.254 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.656 5.080 -0.785 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.581 3.763 1.014 1.00 0.47 C ATOM 651 CZ2 TRP A 45 7.917 4.000 -1.256 1.00 0.43 C ATOM 652 CZ3 TRP A 45 8.847 2.689 0.543 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.025 2.813 -0.582 1.00 0.42 C ATOM 0 H TRP A 45 11.787 7.045 4.130 1.00 0.72 H new ATOM 0 HA TRP A 45 10.158 8.528 2.174 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.901 7.168 1.182 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.413 5.769 2.118 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.860 8.111 -0.596 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.242 6.732 -2.064 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.212 3.659 1.884 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.280 4.094 -2.123 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 8.910 1.739 1.053 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.465 1.956 -0.926 1.00 0.42 H new ATOM 664 N GLU A 46 8.001 7.556 2.835 1.00 0.51 N ATOM 665 CA GLU A 46 6.702 7.068 3.245 1.00 0.48 C ATOM 666 C GLU A 46 6.037 6.366 2.071 1.00 0.39 C ATOM 667 O GLU A 46 5.926 6.937 0.988 1.00 0.42 O ATOM 668 CB GLU A 46 5.841 8.237 3.716 1.00 0.60 C ATOM 669 CG GLU A 46 6.511 9.077 4.789 1.00 1.17 C ATOM 670 CD GLU A 46 5.704 10.300 5.158 1.00 1.33 C ATOM 671 OE1 GLU A 46 5.929 11.369 4.553 1.00 1.73 O ATOM 672 OE2 GLU A 46 4.840 10.200 6.049 1.00 1.82 O ATOM 0 H GLU A 46 7.968 8.385 2.241 1.00 0.51 H new ATOM 0 HA GLU A 46 6.816 6.362 4.067 1.00 0.48 H new ATOM 0 HB2 GLU A 46 5.603 8.872 2.863 1.00 0.60 H new ATOM 0 HB3 GLU A 46 4.897 7.853 4.101 1.00 0.60 H new ATOM 0 HG2 GLU A 46 6.666 8.467 5.679 1.00 1.17 H new ATOM 0 HG3 GLU A 46 7.496 9.388 4.440 1.00 1.17 H new ATOM 679 N CYS A 47 5.619 5.124 2.274 1.00 0.32 N ATOM 680 CA CYS A 47 4.996 4.358 1.204 1.00 0.28 C ATOM 681 C CYS A 47 3.689 5.028 0.775 1.00 0.26 C ATOM 682 O CYS A 47 2.964 5.577 1.607 1.00 0.27 O ATOM 683 CB CYS A 47 4.734 2.910 1.649 1.00 0.28 C ATOM 684 SG CYS A 47 3.366 2.711 2.819 1.00 0.26 S ATOM 0 H CYS A 47 5.699 4.629 3.162 1.00 0.32 H new ATOM 0 HA CYS A 47 5.678 4.333 0.354 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.529 2.305 0.766 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.642 2.514 2.103 1.00 0.28 H new ATOM 0 HG CYS A 47 3.773 2.035 3.852 1.00 0.26 H new ATOM 689 N PRO A 48 3.371 4.993 -0.536 1.00 0.27 N ATOM 690 CA PRO A 48 2.141 5.593 -1.074 1.00 0.29 C ATOM 691 C PRO A 48 0.887 4.892 -0.557 1.00 0.27 C ATOM 692 O PRO A 48 -0.233 5.287 -0.866 1.00 0.30 O ATOM 693 CB PRO A 48 2.275 5.408 -2.591 1.00 0.35 C ATOM 694 CG PRO A 48 3.241 4.287 -2.760 1.00 0.34 C ATOM 695 CD PRO A 48 4.192 4.379 -1.597 1.00 0.29 C ATOM 0 HA PRO A 48 2.033 6.635 -0.774 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.313 5.172 -3.046 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.639 6.318 -3.069 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.726 3.326 -2.768 1.00 0.34 H new ATOM 0 HG3 PRO A 48 3.774 4.371 -3.707 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.563 3.397 -1.302 1.00 0.29 H new ATOM 0 HD3 PRO A 48 5.063 4.990 -1.836 1.00 0.29 H new ATOM 703 N TRP A 49 1.103 3.856 0.246 1.00 0.24 N ATOM 704 CA TRP A 49 0.024 3.116 0.888 1.00 0.23 C ATOM 705 C TRP A 49 -0.530 3.932 2.060 1.00 0.23 C ATOM 706 O TRP A 49 -1.494 3.539 2.711 1.00 0.27 O ATOM 707 CB TRP A 49 0.564 1.766 1.377 1.00 0.22 C ATOM 708 CG TRP A 49 -0.461 0.679 1.512 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.473 0.385 0.642 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.546 -0.286 2.570 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.179 -0.705 1.093 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.632 -1.131 2.275 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.190 -0.517 3.738 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.999 -2.189 3.104 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.176 -1.566 4.561 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.263 -2.392 4.240 1.00 0.32 C ATOM 0 H TRP A 49 2.034 3.505 0.470 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.783 2.939 0.177 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.337 1.430 0.686 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.043 1.914 2.345 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.687 0.929 -0.266 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -2.980 -1.128 0.624 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.029 0.113 3.992 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.835 -2.827 2.859 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.384 -1.752 5.465 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.524 -3.204 4.902 1.00 0.32 H new ATOM 727 N HIS A 50 0.111 5.066 2.338 1.00 0.23 N ATOM 728 CA HIS A 50 -0.387 6.007 3.337 1.00 0.24 C ATOM 729 C HIS A 50 -1.035 7.200 2.654 1.00 0.25 C ATOM 730 O HIS A 50 -1.493 8.135 3.313 1.00 0.29 O ATOM 731 CB HIS A 50 0.740 6.519 4.240 1.00 0.27 C ATOM 732 CG HIS A 50 1.508 5.450 4.949 1.00 0.28 C ATOM 733 ND1 HIS A 50 2.800 5.447 5.358 1.00 0.32 N flip ATOM 734 CD2 HIS A 50 0.987 4.229 5.316 1.00 0.30 C flip ATOM 735 CE1 HIS A 50 3.083 4.234 5.974 1.00 0.35 C flip ATOM 736 NE2 HIS A 50 1.961 3.535 5.922 1.00 0.34 N flip ATOM 0 H HIS A 50 0.978 5.355 1.884 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.116 5.475 3.948 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.433 7.105 3.636 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.314 7.194 4.982 1.00 0.27 H new ATOM 0 HD1 HIS A 50 3.461 6.214 5.233 1.00 0.32 H new ATOM 0 HD2 HIS A 50 -0.025 3.891 5.146 1.00 0.30 H new ATOM 0 HE1 HIS A 50 4.024 3.926 6.406 1.00 0.35 H new ATOM 744 N GLN A 51 -1.065 7.174 1.333 1.00 0.25 N ATOM 745 CA GLN A 51 -1.556 8.305 0.566 1.00 0.28 C ATOM 746 C GLN A 51 -2.778 7.906 -0.242 1.00 0.24 C ATOM 747 O GLN A 51 -2.785 6.881 -0.921 1.00 0.26 O ATOM 748 CB GLN A 51 -0.461 8.845 -0.360 1.00 0.38 C ATOM 749 CG GLN A 51 0.803 9.260 0.375 1.00 0.48 C ATOM 750 CD GLN A 51 0.635 10.541 1.176 1.00 0.55 C ATOM 751 OE1 GLN A 51 0.912 11.634 0.682 1.00 0.83 O ATOM 752 NE2 GLN A 51 0.169 10.423 2.411 1.00 0.86 N ATOM 0 H GLN A 51 -0.755 6.382 0.769 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.840 9.094 1.262 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.210 8.082 -1.096 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.851 9.702 -0.909 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.106 8.456 1.046 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.609 9.393 -0.347 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -0.050 9.501 2.788 1.00 0.86 H new ATOM 0 HE22 GLN A 51 0.029 11.255 2.985 1.00 0.86 H new ATOM 761 N CYS A 52 -3.812 8.715 -0.148 1.00 0.23 N ATOM 762 CA CYS A 52 -5.047 8.481 -0.874 1.00 0.21 C ATOM 763 C CYS A 52 -4.796 8.571 -2.373 1.00 0.26 C ATOM 764 O CYS A 52 -4.325 9.589 -2.863 1.00 0.31 O ATOM 765 CB CYS A 52 -6.082 9.516 -0.442 1.00 0.22 C ATOM 766 SG CYS A 52 -7.695 9.380 -1.247 1.00 0.23 S ATOM 0 H CYS A 52 -3.822 9.553 0.433 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.422 7.482 -0.650 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.224 9.435 0.636 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.680 10.510 -0.637 1.00 0.22 H new ATOM 0 HG CYS A 52 -8.591 9.988 -0.528 1.00 0.23 H new ATOM 771 N ASP A 53 -5.119 7.507 -3.095 1.00 0.28 N ATOM 772 CA ASP A 53 -4.871 7.453 -4.537 1.00 0.35 C ATOM 773 C ASP A 53 -5.691 8.510 -5.276 1.00 0.36 C ATOM 774 O ASP A 53 -5.396 8.853 -6.419 1.00 0.42 O ATOM 775 CB ASP A 53 -5.192 6.056 -5.087 1.00 0.39 C ATOM 776 CG ASP A 53 -4.747 5.875 -6.528 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.581 6.056 -7.442 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.559 5.567 -6.760 1.00 0.64 O ATOM 0 H ASP A 53 -5.553 6.668 -2.710 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.814 7.663 -4.702 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.706 5.305 -4.464 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -6.266 5.881 -5.018 1.00 0.39 H new ATOM 783 N VAL A 54 -6.711 9.043 -4.611 1.00 0.33 N ATOM 784 CA VAL A 54 -7.569 10.043 -5.225 1.00 0.36 C ATOM 785 C VAL A 54 -7.032 11.459 -5.004 1.00 0.37 C ATOM 786 O VAL A 54 -6.813 12.197 -5.965 1.00 0.44 O ATOM 787 CB VAL A 54 -9.018 9.958 -4.702 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.886 11.020 -5.349 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.601 8.579 -4.956 1.00 0.33 C ATOM 0 H VAL A 54 -6.961 8.799 -3.653 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.571 9.828 -6.294 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.998 10.134 -3.626 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.903 10.942 -4.966 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.486 12.007 -5.118 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.893 10.875 -6.429 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.623 8.541 -4.579 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.601 8.376 -6.027 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.998 7.829 -4.444 1.00 0.33 H new ATOM 799 N CYS A 55 -6.810 11.840 -3.748 1.00 0.34 N ATOM 800 CA CYS A 55 -6.426 13.222 -3.450 1.00 0.36 C ATOM 801 C CYS A 55 -4.966 13.347 -3.006 1.00 0.35 C ATOM 802 O CYS A 55 -4.452 14.456 -2.848 1.00 0.41 O ATOM 803 CB CYS A 55 -7.362 13.834 -2.401 1.00 0.37 C ATOM 804 SG CYS A 55 -7.350 13.021 -0.783 1.00 0.32 S ATOM 0 H CYS A 55 -6.886 11.229 -2.935 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.524 13.781 -4.381 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -7.092 14.881 -2.265 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.380 13.815 -2.791 1.00 0.37 H new ATOM 0 HG CYS A 55 -7.473 11.737 -0.942 1.00 0.32 H new ATOM 809 N GLY A 56 -4.296 12.218 -2.803 1.00 0.33 N ATOM 810 CA GLY A 56 -2.889 12.236 -2.434 1.00 0.36 C ATOM 811 C GLY A 56 -2.655 12.536 -0.965 1.00 0.38 C ATOM 812 O GLY A 56 -1.515 12.548 -0.508 1.00 0.49 O ATOM 0 H GLY A 56 -4.702 11.286 -2.887 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.445 11.270 -2.675 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.373 12.983 -3.037 1.00 0.36 H new ATOM 816 N LYS A 57 -3.724 12.780 -0.224 1.00 0.35 N ATOM 817 CA LYS A 57 -3.607 13.158 1.178 1.00 0.39 C ATOM 818 C LYS A 57 -3.641 11.933 2.087 1.00 0.33 C ATOM 819 O LYS A 57 -3.670 10.800 1.603 1.00 0.33 O ATOM 820 CB LYS A 57 -4.719 14.140 1.542 1.00 0.48 C ATOM 821 CG LYS A 57 -4.753 15.342 0.614 1.00 0.65 C ATOM 822 CD LYS A 57 -5.933 16.255 0.891 1.00 0.78 C ATOM 823 CE LYS A 57 -5.994 17.380 -0.132 1.00 1.16 C ATOM 824 NZ LYS A 57 -7.142 18.293 0.098 1.00 1.91 N ATOM 0 H LYS A 57 -4.682 12.724 -0.568 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.643 13.645 1.327 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.680 13.627 1.504 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -4.579 14.480 2.568 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -3.827 15.907 0.722 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -4.798 14.998 -0.419 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -6.859 15.680 0.862 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -5.848 16.673 1.894 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -5.066 17.951 -0.096 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -6.067 16.954 -1.133 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -7.140 19.042 -0.624 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -8.030 17.756 0.037 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -7.061 18.722 1.042 1.00 1.91 H new ATOM 838 N GLU A 58 -3.642 12.172 3.394 1.00 0.35 N ATOM 839 CA GLU A 58 -3.587 11.104 4.392 1.00 0.37 C ATOM 840 C GLU A 58 -4.674 10.055 4.159 1.00 0.30 C ATOM 841 O GLU A 58 -5.867 10.368 4.123 1.00 0.36 O ATOM 842 CB GLU A 58 -3.736 11.693 5.797 1.00 0.51 C ATOM 843 CG GLU A 58 -3.559 10.676 6.914 1.00 0.88 C ATOM 844 CD GLU A 58 -2.122 10.223 7.072 1.00 1.30 C ATOM 845 OE1 GLU A 58 -1.645 9.424 6.241 1.00 1.50 O ATOM 846 OE2 GLU A 58 -1.458 10.661 8.033 1.00 2.03 O ATOM 0 H GLU A 58 -3.681 13.110 3.794 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.618 10.613 4.297 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -3.004 12.490 5.926 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -4.722 12.148 5.887 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -3.904 11.110 7.853 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -4.189 9.809 6.713 1.00 0.88 H new ATOM 853 N ALA A 59 -4.249 8.813 3.987 1.00 0.26 N ATOM 854 CA ALA A 59 -5.173 7.706 3.816 1.00 0.21 C ATOM 855 C ALA A 59 -5.623 7.160 5.166 1.00 0.23 C ATOM 856 O ALA A 59 -4.827 7.049 6.101 1.00 0.30 O ATOM 857 CB ALA A 59 -4.530 6.606 2.996 1.00 0.22 C ATOM 0 H ALA A 59 -3.265 8.547 3.962 1.00 0.26 H new ATOM 0 HA ALA A 59 -6.051 8.075 3.286 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.234 5.783 2.876 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.257 6.996 2.015 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.636 6.247 3.506 1.00 0.22 H new ATOM 863 N ALA A 60 -6.900 6.817 5.259 1.00 0.20 N ATOM 864 CA ALA A 60 -7.461 6.294 6.493 1.00 0.23 C ATOM 865 C ALA A 60 -7.669 4.791 6.393 1.00 0.23 C ATOM 866 O ALA A 60 -7.565 4.068 7.385 1.00 0.30 O ATOM 867 CB ALA A 60 -8.770 6.993 6.815 1.00 0.27 C ATOM 0 H ALA A 60 -7.567 6.892 4.491 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.756 6.487 7.302 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -9.179 6.591 7.742 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.593 8.062 6.930 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.480 6.828 6.004 1.00 0.27 H new ATOM 873 N SER A 61 -7.958 4.323 5.189 1.00 0.21 N ATOM 874 CA SER A 61 -8.154 2.907 4.952 1.00 0.23 C ATOM 875 C SER A 61 -7.265 2.446 3.803 1.00 0.20 C ATOM 876 O SER A 61 -6.999 3.212 2.871 1.00 0.30 O ATOM 877 CB SER A 61 -9.625 2.629 4.659 1.00 0.30 C ATOM 878 OG SER A 61 -10.084 3.420 3.579 1.00 0.35 O ATOM 0 H SER A 61 -8.062 4.908 4.360 1.00 0.21 H new ATOM 0 HA SER A 61 -7.874 2.346 5.843 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.760 1.573 4.424 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.222 2.837 5.547 1.00 0.30 H new ATOM 0 HG SER A 61 -9.673 3.107 2.746 1.00 0.35 H new ATOM 884 N PHE A 62 -6.818 1.203 3.868 1.00 0.21 N ATOM 885 CA PHE A 62 -5.814 0.700 2.942 1.00 0.20 C ATOM 886 C PHE A 62 -6.330 -0.546 2.227 1.00 0.19 C ATOM 887 O PHE A 62 -6.882 -1.440 2.867 1.00 0.22 O ATOM 888 CB PHE A 62 -4.540 0.353 3.726 1.00 0.26 C ATOM 889 CG PHE A 62 -4.225 1.334 4.826 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.479 1.012 6.152 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.699 2.582 4.538 1.00 0.29 C ATOM 892 CE1 PHE A 62 -4.214 1.916 7.162 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.430 3.488 5.547 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.689 3.155 6.859 1.00 0.47 C ATOM 0 H PHE A 62 -7.136 0.520 4.556 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.596 1.465 2.197 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.648 -0.642 4.157 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.698 0.311 3.035 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.889 0.043 6.397 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.496 2.851 3.512 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -4.418 1.653 8.189 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -3.017 4.457 5.307 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.481 3.863 7.648 1.00 0.47 H new ATOM 904 N CYS A 63 -6.179 -0.600 0.904 1.00 0.18 N ATOM 905 CA CYS A 63 -6.532 -1.810 0.171 1.00 0.18 C ATOM 906 C CYS A 63 -5.497 -2.889 0.452 1.00 0.19 C ATOM 907 O CYS A 63 -4.298 -2.673 0.281 1.00 0.22 O ATOM 908 CB CYS A 63 -6.631 -1.562 -1.341 1.00 0.20 C ATOM 909 SG CYS A 63 -7.346 -2.956 -2.244 1.00 0.23 S ATOM 0 H CYS A 63 -5.822 0.164 0.330 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.516 -2.133 0.512 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.237 -0.673 -1.518 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.636 -1.354 -1.735 1.00 0.20 H new ATOM 0 HG CYS A 63 -7.748 -2.555 -3.414 1.00 0.23 H new ATOM 914 N GLU A 64 -5.963 -4.050 0.878 1.00 0.19 N ATOM 915 CA GLU A 64 -5.071 -5.136 1.252 1.00 0.23 C ATOM 916 C GLU A 64 -4.805 -6.055 0.064 1.00 0.25 C ATOM 917 O GLU A 64 -4.420 -7.210 0.234 1.00 0.29 O ATOM 918 CB GLU A 64 -5.659 -5.933 2.417 1.00 0.24 C ATOM 919 CG GLU A 64 -5.952 -5.082 3.644 1.00 0.24 C ATOM 920 CD GLU A 64 -6.499 -5.891 4.797 1.00 0.29 C ATOM 921 OE1 GLU A 64 -5.758 -6.123 5.772 1.00 0.42 O ATOM 922 OE2 GLU A 64 -7.675 -6.306 4.731 1.00 0.32 O ATOM 0 H GLU A 64 -6.955 -4.266 0.974 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.122 -4.702 1.568 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.580 -6.415 2.090 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -4.964 -6.727 2.692 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.038 -4.579 3.959 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.668 -4.304 3.379 1.00 0.24 H new ATOM 929 N MET A 65 -5.028 -5.544 -1.141 1.00 0.27 N ATOM 930 CA MET A 65 -4.724 -6.300 -2.353 1.00 0.32 C ATOM 931 C MET A 65 -3.857 -5.489 -3.317 1.00 0.35 C ATOM 932 O MET A 65 -3.350 -6.025 -4.303 1.00 0.44 O ATOM 933 CB MET A 65 -6.008 -6.731 -3.060 1.00 0.34 C ATOM 934 CG MET A 65 -6.930 -7.586 -2.202 1.00 0.36 C ATOM 935 SD MET A 65 -8.458 -8.032 -3.051 1.00 0.70 S ATOM 936 CE MET A 65 -7.820 -8.967 -4.442 1.00 1.54 C ATOM 0 H MET A 65 -5.416 -4.615 -1.306 1.00 0.27 H new ATOM 0 HA MET A 65 -4.167 -7.186 -2.048 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.549 -5.841 -3.382 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.746 -7.288 -3.960 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.405 -8.494 -1.906 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.172 -7.046 -1.287 1.00 0.36 H new ATOM 0 HE1 MET A 65 -8.615 -9.583 -4.862 1.00 1.54 H new ATOM 0 HE2 MET A 65 -7.452 -8.280 -5.204 1.00 1.54 H new ATOM 0 HE3 MET A 65 -7.004 -9.607 -4.107 1.00 1.54 H new ATOM 946 N CYS A 66 -3.677 -4.201 -3.031 1.00 0.32 N ATOM 947 CA CYS A 66 -2.903 -3.331 -3.904 1.00 0.34 C ATOM 948 C CYS A 66 -2.541 -2.050 -3.153 1.00 0.33 C ATOM 949 O CYS A 66 -3.120 -1.767 -2.106 1.00 0.32 O ATOM 950 CB CYS A 66 -3.713 -2.991 -5.157 1.00 0.35 C ATOM 951 SG CYS A 66 -4.979 -1.735 -4.884 1.00 0.32 S ATOM 0 H CYS A 66 -4.057 -3.741 -2.204 1.00 0.32 H new ATOM 0 HA CYS A 66 -1.990 -3.844 -4.206 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -3.033 -2.645 -5.936 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.189 -3.899 -5.529 1.00 0.35 H new ATOM 0 HG CYS A 66 -5.820 -2.155 -3.986 1.00 0.32 H new ATOM 956 N PRO A 67 -1.587 -1.252 -3.676 1.00 0.35 N ATOM 957 CA PRO A 67 -1.121 -0.025 -3.013 1.00 0.37 C ATOM 958 C PRO A 67 -2.147 1.115 -3.022 1.00 0.37 C ATOM 959 O PRO A 67 -1.831 2.227 -2.604 1.00 0.46 O ATOM 960 CB PRO A 67 0.120 0.387 -3.826 1.00 0.41 C ATOM 961 CG PRO A 67 0.453 -0.797 -4.668 1.00 0.42 C ATOM 962 CD PRO A 67 -0.858 -1.481 -4.935 1.00 0.38 C ATOM 0 HA PRO A 67 -0.928 -0.214 -1.957 1.00 0.37 H new ATOM 0 HB2 PRO A 67 -0.087 1.262 -4.443 1.00 0.41 H new ATOM 0 HB3 PRO A 67 0.950 0.649 -3.170 1.00 0.41 H new ATOM 0 HG2 PRO A 67 0.934 -0.494 -5.598 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.145 -1.463 -4.153 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.377 -1.049 -5.791 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.729 -2.543 -5.144 1.00 0.38 H new ATOM 970 N SER A 68 -3.362 0.850 -3.498 1.00 0.33 N ATOM 971 CA SER A 68 -4.399 1.879 -3.549 1.00 0.33 C ATOM 972 C SER A 68 -5.024 2.102 -2.174 1.00 0.27 C ATOM 973 O SER A 68 -5.869 1.326 -1.724 1.00 0.40 O ATOM 974 CB SER A 68 -5.491 1.512 -4.558 1.00 0.37 C ATOM 975 OG SER A 68 -4.958 1.355 -5.862 1.00 0.46 O ATOM 0 H SER A 68 -3.652 -0.062 -3.852 1.00 0.33 H new ATOM 0 HA SER A 68 -3.920 2.804 -3.870 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.979 0.587 -4.249 1.00 0.37 H new ATOM 0 HB3 SER A 68 -6.256 2.288 -4.567 1.00 0.37 H new ATOM 0 HG SER A 68 -5.658 1.026 -6.464 1.00 0.46 H new ATOM 981 N SER A 69 -4.597 3.158 -1.512 1.00 0.21 N ATOM 982 CA SER A 69 -5.163 3.544 -0.234 1.00 0.17 C ATOM 983 C SER A 69 -6.040 4.778 -0.410 1.00 0.16 C ATOM 984 O SER A 69 -5.860 5.535 -1.362 1.00 0.18 O ATOM 985 CB SER A 69 -4.035 3.806 0.759 1.00 0.24 C ATOM 986 OG SER A 69 -2.938 4.435 0.117 1.00 0.38 O ATOM 0 H SER A 69 -3.851 3.771 -1.842 1.00 0.21 H new ATOM 0 HA SER A 69 -5.787 2.739 0.155 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.398 4.436 1.571 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.711 2.866 1.206 1.00 0.24 H new ATOM 0 HG SER A 69 -3.233 5.279 -0.283 1.00 0.38 H new ATOM 992 N PHE A 70 -6.991 4.988 0.494 1.00 0.15 N ATOM 993 CA PHE A 70 -7.932 6.094 0.354 1.00 0.15 C ATOM 994 C PHE A 70 -8.159 6.798 1.685 1.00 0.16 C ATOM 995 O PHE A 70 -8.055 6.188 2.753 1.00 0.18 O ATOM 996 CB PHE A 70 -9.272 5.597 -0.195 1.00 0.16 C ATOM 997 CG PHE A 70 -9.175 4.906 -1.528 1.00 0.18 C ATOM 998 CD1 PHE A 70 -8.897 5.628 -2.674 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.359 3.536 -1.629 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -8.805 5.001 -3.901 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.270 2.901 -2.854 1.00 0.24 C ATOM 1002 CZ PHE A 70 -8.997 3.624 -3.987 1.00 0.25 C ATOM 0 H PHE A 70 -7.130 4.413 1.325 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.497 6.806 -0.348 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.715 4.910 0.526 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.951 6.445 -0.286 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -8.750 6.696 -2.609 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.574 2.959 -0.742 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.585 5.575 -4.789 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.416 1.833 -2.919 1.00 0.24 H new ATOM 0 HZ PHE A 70 -8.931 3.127 -4.944 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.464 8.089 1.608 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.744 8.893 2.792 1.00 0.22 C ATOM 1014 C CYS A 71 -10.165 8.632 3.281 1.00 0.23 C ATOM 1015 O CYS A 71 -10.897 7.866 2.656 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.565 10.379 2.472 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.800 11.035 1.331 1.00 0.26 S ATOM 0 H CYS A 71 -8.524 8.604 0.730 1.00 0.18 H new ATOM 0 HA CYS A 71 -8.044 8.614 3.579 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.604 10.948 3.401 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.573 10.532 2.046 1.00 0.26 H new ATOM 0 HG CYS A 71 -9.218 11.793 0.450 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.557 9.272 4.377 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.899 9.097 4.932 1.00 0.33 C ATOM 1024 C LYS A 72 -12.968 9.371 3.880 1.00 0.34 C ATOM 1025 O LYS A 72 -13.936 8.620 3.748 1.00 0.38 O ATOM 1026 CB LYS A 72 -12.116 10.028 6.126 1.00 0.40 C ATOM 1027 CG LYS A 72 -11.214 9.737 7.312 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.469 10.709 8.449 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.597 10.398 9.652 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.973 9.114 10.299 1.00 1.23 N ATOM 0 H LYS A 72 -9.966 9.918 4.901 1.00 0.29 H new ATOM 0 HA LYS A 72 -11.984 8.061 5.261 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.955 11.057 5.805 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.155 9.954 6.447 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.382 8.717 7.658 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -10.171 9.801 7.003 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -11.274 11.726 8.110 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.519 10.665 8.738 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -9.553 10.354 9.341 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -10.680 11.207 10.378 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -10.459 9.015 11.198 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -11.997 9.104 10.482 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -10.726 8.323 9.670 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.773 10.437 3.119 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.752 10.867 2.137 1.00 0.36 C ATOM 1046 C GLN A 73 -13.793 9.926 0.939 1.00 0.31 C ATOM 1047 O GLN A 73 -14.864 9.512 0.497 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.434 12.285 1.669 1.00 0.41 C ATOM 1049 CG GLN A 73 -14.489 12.866 0.743 1.00 1.17 C ATOM 1050 CD GLN A 73 -14.162 14.272 0.274 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -12.882 14.578 0.134 1.00 2.36 O flip ATOM 1052 NE2 GLN A 73 -15.060 15.077 0.030 1.00 2.20 N flip ATOM 0 H GLN A 73 -11.939 11.023 3.165 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.732 10.850 2.614 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -13.330 12.932 2.540 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -12.472 12.283 1.156 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -14.599 12.216 -0.125 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -15.450 12.876 1.258 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -16.036 14.805 0.150 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -14.829 16.017 -0.292 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.625 9.570 0.429 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.551 8.827 -0.825 1.00 0.21 C ATOM 1063 C HIS A 74 -12.472 7.323 -0.603 1.00 0.19 C ATOM 1064 O HIS A 74 -12.160 6.579 -1.525 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.356 9.292 -1.665 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.436 10.733 -2.060 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.323 11.537 -2.097 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.522 11.464 -2.394 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.758 12.739 -2.438 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -12.085 12.740 -2.628 1.00 0.34 N ATOM 0 H HIS A 74 -11.723 9.779 0.856 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.474 9.035 -1.366 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.438 9.127 -1.101 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.292 8.679 -2.564 1.00 0.22 H new ATOM 0 HD1 HIS A 74 -9.360 11.264 -1.902 1.00 0.28 H new ATOM 0 HD2 HIS A 74 -13.540 11.110 -2.463 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -10.126 13.607 -2.549 1.00 0.33 H new ATOM 1078 N ARG A 75 -12.741 6.870 0.611 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.783 5.438 0.870 1.00 0.20 C ATOM 1080 C ARG A 75 -14.202 4.910 0.727 1.00 0.23 C ATOM 1081 O ARG A 75 -14.408 3.748 0.370 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.222 5.102 2.252 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.094 5.531 3.415 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.410 5.234 4.738 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.283 5.475 5.882 1.00 0.53 N ATOM 1086 CZ ARG A 75 -13.294 4.722 6.982 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.467 3.689 7.091 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -14.131 5.002 7.973 1.00 0.92 N ATOM 0 H ARG A 75 -12.931 7.461 1.421 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.152 4.949 0.128 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.065 4.025 2.312 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.245 5.573 2.356 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.307 6.597 3.342 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.051 5.011 3.370 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.081 4.195 4.748 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.517 5.852 4.829 1.00 0.39 H new ATOM 0 HE ARG A 75 -13.924 6.268 5.837 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.821 3.470 6.332 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -12.477 3.114 7.934 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.768 5.795 7.894 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -14.138 4.424 8.814 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.178 5.769 0.990 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.573 5.383 0.889 1.00 0.34 C ATOM 1104 C GLU A 76 -16.941 5.120 -0.565 1.00 0.32 C ATOM 1105 O GLU A 76 -16.736 5.976 -1.429 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.477 6.458 1.485 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.291 6.647 2.982 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.338 7.553 3.590 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -19.301 7.037 4.196 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -18.204 8.791 3.455 1.00 1.65 O ATOM 0 H GLU A 76 -15.026 6.737 1.275 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.719 4.465 1.458 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.283 7.405 0.981 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.517 6.198 1.286 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.327 5.675 3.474 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.302 7.063 3.171 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.461 3.931 -0.837 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.817 3.569 -2.195 1.00 0.42 C ATOM 1119 C GLY A 77 -16.616 3.148 -3.026 1.00 0.40 C ATOM 1120 O GLY A 77 -16.764 2.742 -4.179 1.00 0.58 O ATOM 0 H GLY A 77 -17.643 3.209 -0.140 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.540 2.754 -2.171 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.307 4.416 -2.676 1.00 0.42 H new ATOM 1124 N MET A 78 -15.426 3.248 -2.447 1.00 0.29 N ATOM 1125 CA MET A 78 -14.201 2.886 -3.154 1.00 0.27 C ATOM 1126 C MET A 78 -13.546 1.658 -2.532 1.00 0.24 C ATOM 1127 O MET A 78 -13.003 0.813 -3.244 1.00 0.28 O ATOM 1128 CB MET A 78 -13.207 4.052 -3.160 1.00 0.29 C ATOM 1129 CG MET A 78 -13.709 5.294 -3.890 1.00 0.35 C ATOM 1130 SD MET A 78 -14.002 5.004 -5.645 1.00 0.58 S ATOM 1131 CE MET A 78 -14.511 6.642 -6.164 1.00 1.51 C ATOM 0 H MET A 78 -15.282 3.576 -1.492 1.00 0.29 H new ATOM 0 HA MET A 78 -14.478 2.651 -4.182 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.971 4.320 -2.130 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.278 3.721 -3.624 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.633 5.635 -3.424 1.00 0.35 H new ATOM 0 HG3 MET A 78 -12.980 6.096 -3.776 1.00 0.35 H new ATOM 0 HE1 MET A 78 -14.730 6.634 -7.232 1.00 1.51 H new ATOM 0 HE2 MET A 78 -15.404 6.937 -5.612 1.00 1.51 H new ATOM 0 HE3 MET A 78 -13.709 7.353 -5.964 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.581 1.564 -1.208 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.004 0.423 -0.517 1.00 0.22 C ATOM 1143 C LEU A 79 -14.090 -0.305 0.271 1.00 0.25 C ATOM 1144 O LEU A 79 -14.956 0.331 0.876 1.00 0.32 O ATOM 1145 CB LEU A 79 -11.894 0.910 0.423 1.00 0.24 C ATOM 1146 CG LEU A 79 -10.957 -0.166 0.977 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.156 -0.820 -0.136 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.021 0.440 2.004 1.00 0.27 C ATOM 0 H LEU A 79 -14.002 2.263 -0.595 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.577 -0.271 -1.242 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.293 1.647 -0.110 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.359 1.426 1.264 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.566 -0.934 1.454 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.499 -1.580 0.287 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.837 -1.285 -0.849 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.557 -0.065 -0.645 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.358 -0.333 2.393 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.428 1.226 1.537 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.604 0.863 2.822 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.039 -1.629 0.266 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.023 -2.446 0.967 1.00 0.31 C ATOM 1162 C PHE A 80 -14.385 -3.747 1.438 1.00 0.31 C ATOM 1163 O PHE A 80 -13.290 -4.096 1.005 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.230 -2.729 0.055 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.876 -3.349 -1.274 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.651 -2.557 -2.390 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.757 -4.727 -1.403 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.318 -3.126 -3.604 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -15.426 -5.296 -2.615 1.00 0.46 C ATOM 1170 CZ PHE A 80 -15.244 -4.487 -3.730 1.00 0.45 C ATOM 0 H PHE A 80 -13.320 -2.166 -0.220 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.377 -1.900 1.841 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -16.918 -3.392 0.579 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.762 -1.794 -0.124 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.737 -1.483 -2.309 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -15.926 -5.360 -0.544 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -15.115 -2.495 -4.457 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -15.309 -6.366 -2.697 1.00 0.46 H new ATOM 0 HZ PHE A 80 -15.045 -4.931 -4.694 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.064 -4.458 2.327 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.555 -5.725 2.831 1.00 0.38 C ATOM 1182 C ILE A 81 -14.894 -6.862 1.877 1.00 0.42 C ATOM 1183 O ILE A 81 -16.045 -7.019 1.465 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.112 -6.050 4.236 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.570 -5.062 5.270 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -14.763 -7.474 4.641 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.074 -5.157 5.478 1.00 0.44 C ATOM 0 H ILE A 81 -15.966 -4.180 2.713 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.472 -5.625 2.905 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.197 -5.958 4.197 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -14.821 -4.048 4.957 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.072 -5.235 6.222 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.166 -7.679 5.633 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.193 -8.172 3.923 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -13.680 -7.592 4.657 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -12.763 -4.426 6.225 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -12.817 -6.159 5.822 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.562 -4.954 4.537 1.00 0.44 H new ATOM 1199 N SER A 82 -13.881 -7.634 1.521 1.00 0.41 N ATOM 1200 CA SER A 82 -14.057 -8.804 0.686 1.00 0.47 C ATOM 1201 C SER A 82 -14.753 -9.900 1.476 1.00 0.54 C ATOM 1202 O SER A 82 -14.286 -10.299 2.540 1.00 0.61 O ATOM 1203 CB SER A 82 -12.699 -9.300 0.185 1.00 0.57 C ATOM 1204 OG SER A 82 -12.806 -10.563 -0.455 1.00 0.79 O ATOM 0 H SER A 82 -12.916 -7.465 1.804 1.00 0.41 H new ATOM 0 HA SER A 82 -14.673 -8.539 -0.173 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.280 -8.573 -0.511 1.00 0.57 H new ATOM 0 HB3 SER A 82 -12.006 -9.374 1.023 1.00 0.57 H new ATOM 0 HG SER A 82 -11.921 -10.849 -0.764 1.00 0.79 H new ATOM 1210 N LYS A 83 -15.864 -10.388 0.950 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.603 -11.463 1.596 1.00 0.80 C ATOM 1212 C LYS A 83 -15.856 -12.780 1.443 1.00 0.81 C ATOM 1213 O LYS A 83 -16.204 -13.785 2.059 1.00 0.91 O ATOM 1214 CB LYS A 83 -18.000 -11.577 0.995 1.00 0.98 C ATOM 1215 CG LYS A 83 -18.851 -10.336 1.199 1.00 1.06 C ATOM 1216 CD LYS A 83 -20.187 -10.455 0.490 1.00 1.34 C ATOM 1217 CE LYS A 83 -21.037 -9.210 0.684 1.00 2.08 C ATOM 1218 NZ LYS A 83 -21.381 -8.983 2.115 1.00 2.62 N ATOM 0 H LYS A 83 -16.275 -10.058 0.077 1.00 0.65 H new ATOM 0 HA LYS A 83 -16.696 -11.235 2.658 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -17.912 -11.776 -0.073 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.509 -12.433 1.438 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -19.016 -10.178 2.265 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.317 -9.462 0.826 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -20.021 -10.621 -0.574 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -20.724 -11.325 0.868 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -20.501 -8.342 0.298 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -21.954 -9.303 0.102 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -22.107 -8.241 2.184 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -21.746 -9.865 2.528 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -20.530 -8.684 2.633 1.00 2.62 H new ATOM 1232 N LEU A 84 -14.823 -12.759 0.614 1.00 0.76 N ATOM 1233 CA LEU A 84 -14.038 -13.945 0.341 1.00 0.81 C ATOM 1234 C LEU A 84 -12.946 -14.133 1.390 1.00 0.76 C ATOM 1235 O LEU A 84 -12.874 -15.175 2.040 1.00 0.81 O ATOM 1236 CB LEU A 84 -13.418 -13.848 -1.053 1.00 0.90 C ATOM 1237 CG LEU A 84 -14.415 -13.640 -2.198 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -13.685 -13.510 -3.525 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -15.414 -14.785 -2.256 1.00 1.25 C ATOM 0 H LEU A 84 -14.510 -11.925 0.117 1.00 0.76 H new ATOM 0 HA LEU A 84 -14.699 -14.811 0.382 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -12.705 -13.024 -1.059 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -12.853 -14.760 -1.246 1.00 0.90 H new ATOM 0 HG LEU A 84 -14.961 -12.715 -2.009 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -14.410 -13.363 -4.326 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -13.009 -12.656 -3.486 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -13.113 -14.418 -3.716 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -16.112 -14.617 -3.076 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -14.883 -15.723 -2.418 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -15.963 -14.836 -1.316 1.00 1.25 H new ATOM 1251 N ASP A 85 -12.108 -13.118 1.570 1.00 0.72 N ATOM 1252 CA ASP A 85 -10.947 -13.250 2.455 1.00 0.75 C ATOM 1253 C ASP A 85 -10.980 -12.260 3.615 1.00 0.66 C ATOM 1254 O ASP A 85 -10.090 -12.273 4.466 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.646 -13.065 1.671 1.00 0.85 C ATOM 1256 CG ASP A 85 -9.519 -14.031 0.515 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -9.760 -13.624 -0.640 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -9.188 -15.210 0.756 1.00 1.42 O ATOM 0 H ASP A 85 -12.204 -12.206 1.124 1.00 0.72 H new ATOM 0 HA ASP A 85 -10.990 -14.256 2.871 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -9.597 -12.044 1.293 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -8.799 -13.197 2.344 1.00 0.85 H new ATOM 1263 N GLY A 86 -11.983 -11.391 3.641 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.106 -10.421 4.721 1.00 0.56 C ATOM 1265 C GLY A 86 -11.166 -9.242 4.557 1.00 0.48 C ATOM 1266 O GLY A 86 -11.054 -8.393 5.442 1.00 0.50 O ATOM 0 H GLY A 86 -12.716 -11.338 2.934 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.133 -10.059 4.763 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -11.902 -10.914 5.672 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.495 -9.188 3.419 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.561 -8.114 3.132 1.00 0.39 C ATOM 1272 C ARG A 87 -10.287 -6.878 2.639 1.00 0.33 C ATOM 1273 O ARG A 87 -11.329 -6.975 1.993 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.555 -8.548 2.067 1.00 0.46 C ATOM 1275 CG ARG A 87 -7.505 -9.521 2.567 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.504 -9.842 1.474 1.00 0.96 C ATOM 1277 NE ARG A 87 -5.403 -10.679 1.949 1.00 1.25 N ATOM 1278 CZ ARG A 87 -4.916 -11.726 1.278 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -5.490 -12.130 0.147 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -3.864 -12.379 1.750 1.00 2.10 N ATOM 0 H ARG A 87 -10.581 -9.880 2.675 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.039 -7.880 4.060 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -9.095 -9.007 1.238 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -8.056 -7.663 1.672 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -6.988 -9.095 3.426 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -7.985 -10.438 2.907 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.015 -10.350 0.656 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -6.101 -8.913 1.071 1.00 0.96 H new ATOM 0 HE ARG A 87 -4.981 -10.449 2.849 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -6.308 -11.639 -0.213 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -5.112 -12.931 -0.359 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -3.429 -12.082 2.623 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -3.489 -13.179 1.240 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.737 -5.721 2.956 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.210 -4.477 2.382 1.00 0.26 C ATOM 1296 C LEU A 88 -9.828 -4.433 0.910 1.00 0.24 C ATOM 1297 O LEU A 88 -8.649 -4.355 0.571 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.602 -3.282 3.115 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.149 -3.022 4.516 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.135 -2.252 5.346 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.453 -2.244 4.435 1.00 0.44 C ATOM 0 H LEU A 88 -8.961 -5.617 3.609 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.294 -4.424 2.484 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.525 -3.432 3.187 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -9.760 -2.389 2.511 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.339 -3.981 4.997 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -9.540 -2.074 6.342 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.215 -2.831 5.426 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -8.922 -1.297 4.866 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -11.833 -2.065 5.441 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.277 -1.290 3.938 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.185 -2.819 3.868 1.00 0.44 H new ATOM 1313 N SER A 89 -10.820 -4.501 0.045 1.00 0.22 N ATOM 1314 CA SER A 89 -10.577 -4.556 -1.383 1.00 0.23 C ATOM 1315 C SER A 89 -11.189 -3.338 -2.064 1.00 0.21 C ATOM 1316 O SER A 89 -12.312 -2.938 -1.754 1.00 0.22 O ATOM 1317 CB SER A 89 -11.152 -5.853 -1.962 1.00 0.28 C ATOM 1318 OG SER A 89 -10.772 -6.028 -3.318 1.00 0.55 O ATOM 0 H SER A 89 -11.806 -4.520 0.307 1.00 0.22 H new ATOM 0 HA SER A 89 -9.502 -4.546 -1.565 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.805 -6.702 -1.373 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.239 -5.836 -1.887 1.00 0.28 H new ATOM 0 HG SER A 89 -10.045 -6.683 -3.372 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.424 -2.728 -2.960 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.866 -1.529 -3.657 1.00 0.24 C ATOM 1326 C CYS A 90 -11.717 -1.899 -4.868 1.00 0.27 C ATOM 1327 O CYS A 90 -11.775 -3.063 -5.270 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.655 -0.703 -4.104 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.687 -1.479 -5.417 1.00 0.28 S ATOM 0 H CYS A 90 -9.491 -3.046 -3.221 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.471 -0.934 -2.973 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -9.999 0.273 -4.447 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -9.009 -0.528 -3.244 1.00 0.25 H new ATOM 0 HG CYS A 90 -7.431 -1.489 -5.082 1.00 0.28 H new ATOM 1334 N THR A 91 -12.358 -0.897 -5.456 1.00 0.30 N ATOM 1335 CA THR A 91 -13.221 -1.098 -6.608 1.00 0.36 C ATOM 1336 C THR A 91 -12.421 -1.168 -7.909 1.00 0.43 C ATOM 1337 O THR A 91 -12.969 -0.987 -8.997 1.00 0.54 O ATOM 1338 CB THR A 91 -14.257 0.034 -6.706 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.601 1.305 -6.589 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.311 -0.101 -5.620 1.00 0.38 C ATOM 0 H THR A 91 -12.293 0.073 -5.148 1.00 0.30 H new ATOM 0 HA THR A 91 -13.731 -2.051 -6.468 1.00 0.36 H new ATOM 0 HB THR A 91 -14.750 -0.034 -7.676 1.00 0.39 H new ATOM 0 HG1 THR A 91 -14.265 2.023 -6.654 1.00 0.43 H new ATOM 0 HG21 THR A 91 -16.032 0.711 -5.710 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.825 -1.056 -5.728 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.833 -0.055 -4.641 1.00 0.38 H new ATOM 1348 N GLU A 92 -11.125 -1.423 -7.792 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.267 -1.568 -8.958 1.00 0.52 C ATOM 1350 C GLU A 92 -9.939 -3.038 -9.186 1.00 0.51 C ATOM 1351 O GLU A 92 -9.069 -3.375 -9.986 1.00 0.63 O ATOM 1352 CB GLU A 92 -8.969 -0.780 -8.775 1.00 0.56 C ATOM 1353 CG GLU A 92 -9.172 0.671 -8.369 1.00 0.66 C ATOM 1354 CD GLU A 92 -7.876 1.456 -8.356 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -6.947 1.058 -7.627 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -7.788 2.487 -9.061 1.00 1.54 O ATOM 0 H GLU A 92 -10.645 -1.534 -6.899 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.799 -1.175 -9.824 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.360 -1.275 -8.019 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.405 -0.809 -9.707 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.872 1.143 -9.058 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -9.625 0.708 -7.378 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.643 -3.913 -8.481 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.361 -5.341 -8.542 1.00 0.53 C ATOM 1365 C HIS A 93 -11.577 -6.113 -9.025 1.00 0.67 C ATOM 1366 O HIS A 93 -12.196 -6.856 -8.266 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.938 -5.880 -7.174 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.688 -5.274 -6.622 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.735 -4.624 -7.372 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.247 -5.239 -5.347 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.766 -4.219 -6.540 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -7.029 -4.568 -5.295 1.00 0.32 N ATOM 0 H HIS A 93 -11.412 -3.660 -7.861 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.542 -5.478 -9.248 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.750 -5.713 -6.466 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.799 -6.958 -7.251 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.761 -4.477 -8.381 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.760 -5.666 -4.498 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.884 -3.677 -6.848 1.00 0.36 H new ATOM 1380 N ASP A 94 -11.924 -5.926 -10.282 1.00 0.83 N ATOM 1381 CA ASP A 94 -13.018 -6.672 -10.882 1.00 1.02 C ATOM 1382 C ASP A 94 -12.489 -7.947 -11.515 1.00 1.33 C ATOM 1383 O ASP A 94 -11.881 -7.863 -12.601 1.00 1.92 O ATOM 1384 CB ASP A 94 -13.761 -5.827 -11.921 1.00 1.54 C ATOM 1385 CG ASP A 94 -14.644 -4.777 -11.283 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -15.814 -5.081 -10.970 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -14.177 -3.632 -11.103 1.00 2.65 O ATOM 1388 OXT ASP A 94 -12.664 -9.029 -10.915 1.00 1.91 O ATOM 0 H ASP A 94 -11.466 -5.265 -10.910 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.727 -6.931 -10.096 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -13.037 -5.341 -12.575 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -14.370 -6.479 -12.548 1.00 1.54 H new