USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=26 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 166:sc= 0.574 USER MOD Set 1.2: A 66 CYS SG : rot -60:sc= 0.815 USER MOD Set 1.3: A 68 SER OG : rot 97:sc= 0.52 USER MOD Set 1.4: A 89 SER OG : rot 110:sc= 1.36 USER MOD Set 1.5: A 90 CYS SG : rot -127:sc= -0.0453 USER MOD Set 1.6: A 93 HIS : no HE2:sc= -0.0807 K(o=3.1,f=1.7) USER MOD Set 2.1: A 52 CYS SG : rot 156:sc= 1.96 USER MOD Set 2.2: A 55 CYS SG : rot -47:sc= 0.502 USER MOD Set 2.3: A 71 CYS SG : rot -138:sc= 1.3 USER MOD Set 2.4: A 74 HIS : no HE2:sc= -2.27! C(o=1.5!,f=0.39!) USER MOD Set 3.1: A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 21 CYS SG : rot 126:sc= 1.23 USER MOD Set 4.2: A 26 CYS SG : rot -110:sc= 0.058 USER MOD Set 4.3: A 47 CYS SG : rot -129:sc= -0.754 USER MOD Set 4.4: A 50 HIS : no HD1:sc= -0.228 K(o=0.31,f=1.3) USER MOD Set 5.1: A 9 CYS SG : rot -141:sc= -1.48! USER MOD Set 5.2: A 12 CYS SG : rot 136:sc= 0.667 USER MOD Set 5.3: A 31 HIS : no HD1:sc= -0.871 X(o=-5.2,f=-5.4) USER MOD Set 5.4: A 34 CYS SG : rot 7:sc= -3.53! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc=-0.000554 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 165:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.099) USER MOD Single : A 51 GLN : amide:sc= -0.0667 K(o=-0.067,f=-0.59) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 130:sc= -0.0419 USER MOD Single : A 69 SER OG : rot 49:sc= 0.936 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.776 K(o=-0.78,f=-0.061) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 65:sc= 0.207 USER MOD ----------------------------------------------------------------- ATOM 91 N ASP A 7 9.513 -9.084 3.142 1.00 0.54 N ATOM 92 CA ASP A 7 10.555 -9.537 2.219 1.00 0.53 C ATOM 93 C ASP A 7 9.972 -9.907 0.866 1.00 0.46 C ATOM 94 O ASP A 7 10.543 -10.714 0.131 1.00 0.55 O ATOM 95 CB ASP A 7 11.313 -10.739 2.784 1.00 0.71 C ATOM 96 CG ASP A 7 12.348 -10.352 3.813 1.00 1.68 C ATOM 97 OD1 ASP A 7 12.022 -10.331 5.015 1.00 2.36 O ATOM 98 OD2 ASP A 7 13.506 -10.080 3.421 1.00 2.34 O ATOM 0 HA ASP A 7 11.248 -8.705 2.093 1.00 0.53 H new ATOM 0 HB2 ASP A 7 10.602 -11.431 3.234 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.801 -11.270 1.967 1.00 0.71 H new ATOM 103 N GLU A 8 8.842 -9.311 0.538 1.00 0.37 N ATOM 104 CA GLU A 8 8.178 -9.558 -0.727 1.00 0.34 C ATOM 105 C GLU A 8 7.397 -8.321 -1.134 1.00 0.28 C ATOM 106 O GLU A 8 6.828 -7.645 -0.284 1.00 0.29 O ATOM 107 CB GLU A 8 7.244 -10.761 -0.591 1.00 0.42 C ATOM 108 CG GLU A 8 6.558 -11.163 -1.883 1.00 0.46 C ATOM 109 CD GLU A 8 5.802 -12.467 -1.748 1.00 0.60 C ATOM 110 OE1 GLU A 8 6.391 -13.534 -2.013 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.609 -12.428 -1.385 1.00 0.69 O ATOM 0 H GLU A 8 8.359 -8.643 1.139 1.00 0.37 H new ATOM 0 HA GLU A 8 8.918 -9.778 -1.496 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.815 -11.610 -0.216 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.483 -10.534 0.156 1.00 0.42 H new ATOM 0 HG2 GLU A 8 5.869 -10.375 -2.186 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.303 -11.257 -2.674 1.00 0.46 H new ATOM 118 N CYS A 9 7.332 -8.039 -2.425 1.00 0.27 N ATOM 119 CA CYS A 9 6.692 -6.820 -2.880 1.00 0.25 C ATOM 120 C CYS A 9 5.194 -7.016 -2.934 1.00 0.32 C ATOM 121 O CYS A 9 4.695 -7.826 -3.705 1.00 0.38 O ATOM 122 CB CYS A 9 7.183 -6.431 -4.268 1.00 0.26 C ATOM 123 SG CYS A 9 6.353 -4.981 -4.957 1.00 0.30 S ATOM 0 H CYS A 9 7.709 -8.630 -3.166 1.00 0.27 H new ATOM 0 HA CYS A 9 6.944 -6.026 -2.177 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.255 -6.237 -4.223 1.00 0.26 H new ATOM 0 HB3 CYS A 9 7.040 -7.275 -4.943 1.00 0.26 H new ATOM 0 HG CYS A 9 6.152 -5.160 -6.229 1.00 0.30 H new ATOM 128 N PHE A 10 4.485 -6.260 -2.122 1.00 0.33 N ATOM 129 CA PHE A 10 3.035 -6.361 -2.049 1.00 0.41 C ATOM 130 C PHE A 10 2.392 -5.907 -3.361 1.00 0.48 C ATOM 131 O PHE A 10 1.272 -6.303 -3.689 1.00 0.57 O ATOM 132 CB PHE A 10 2.531 -5.526 -0.865 1.00 0.41 C ATOM 133 CG PHE A 10 1.041 -5.522 -0.696 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.318 -4.352 -0.873 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.362 -6.682 -0.356 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.050 -4.340 -0.714 1.00 0.56 C ATOM 137 CE2 PHE A 10 -1.008 -6.674 -0.199 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.712 -5.502 -0.377 1.00 0.59 C ATOM 0 H PHE A 10 4.889 -5.563 -1.497 1.00 0.33 H new ATOM 0 HA PHE A 10 2.752 -7.402 -1.894 1.00 0.41 H new ATOM 0 HB2 PHE A 10 2.987 -5.904 0.050 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.873 -4.498 -0.990 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.833 -3.441 -1.138 1.00 0.50 H new ATOM 0 HD2 PHE A 10 0.911 -7.601 -0.213 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.603 -3.423 -0.853 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.528 -7.584 0.063 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.785 -5.494 -0.252 1.00 0.59 H new ATOM 148 N SER A 11 3.119 -5.097 -4.117 1.00 0.46 N ATOM 149 CA SER A 11 2.628 -4.568 -5.381 1.00 0.54 C ATOM 150 C SER A 11 2.716 -5.607 -6.502 1.00 0.57 C ATOM 151 O SER A 11 1.866 -5.641 -7.390 1.00 0.69 O ATOM 152 CB SER A 11 3.421 -3.312 -5.758 1.00 0.54 C ATOM 153 OG SER A 11 2.931 -2.714 -6.945 1.00 0.96 O ATOM 0 H SER A 11 4.061 -4.789 -3.873 1.00 0.46 H new ATOM 0 HA SER A 11 1.576 -4.311 -5.254 1.00 0.54 H new ATOM 0 HB2 SER A 11 3.370 -2.592 -4.941 1.00 0.54 H new ATOM 0 HB3 SER A 11 4.471 -3.572 -5.889 1.00 0.54 H new ATOM 0 HG SER A 11 3.461 -1.916 -7.152 1.00 0.96 H new ATOM 159 N CYS A 12 3.740 -6.456 -6.461 1.00 0.48 N ATOM 160 CA CYS A 12 3.979 -7.393 -7.558 1.00 0.53 C ATOM 161 C CYS A 12 3.797 -8.850 -7.125 1.00 0.55 C ATOM 162 O CYS A 12 3.457 -9.710 -7.935 1.00 0.62 O ATOM 163 CB CYS A 12 5.392 -7.202 -8.114 1.00 0.51 C ATOM 164 SG CYS A 12 5.776 -5.504 -8.607 1.00 0.49 S ATOM 0 H CYS A 12 4.409 -6.516 -5.693 1.00 0.48 H new ATOM 0 HA CYS A 12 3.240 -7.178 -8.330 1.00 0.53 H new ATOM 0 HB2 CYS A 12 6.112 -7.521 -7.361 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.522 -7.856 -8.976 1.00 0.51 H new ATOM 0 HG CYS A 12 6.963 -5.187 -8.182 1.00 0.49 H new ATOM 169 N GLY A 13 4.024 -9.121 -5.847 1.00 0.51 N ATOM 170 CA GLY A 13 3.966 -10.483 -5.351 1.00 0.55 C ATOM 171 C GLY A 13 5.312 -11.171 -5.444 1.00 0.54 C ATOM 172 O GLY A 13 5.455 -12.331 -5.067 1.00 0.61 O ATOM 0 H GLY A 13 4.248 -8.419 -5.142 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.630 -10.479 -4.314 1.00 0.55 H new ATOM 0 HA3 GLY A 13 3.229 -11.047 -5.922 1.00 0.55 H new ATOM 176 N ASP A 14 6.304 -10.440 -5.939 1.00 0.49 N ATOM 177 CA ASP A 14 7.638 -10.988 -6.139 1.00 0.49 C ATOM 178 C ASP A 14 8.648 -10.299 -5.231 1.00 0.38 C ATOM 179 O ASP A 14 8.449 -9.154 -4.822 1.00 0.32 O ATOM 180 CB ASP A 14 8.072 -10.823 -7.599 1.00 0.55 C ATOM 181 CG ASP A 14 7.302 -11.721 -8.548 1.00 0.72 C ATOM 182 OD1 ASP A 14 6.388 -11.223 -9.241 1.00 0.81 O ATOM 183 OD2 ASP A 14 7.606 -12.931 -8.611 1.00 0.85 O ATOM 0 H ASP A 14 6.207 -9.461 -6.210 1.00 0.49 H new ATOM 0 HA ASP A 14 7.604 -12.049 -5.891 1.00 0.49 H new ATOM 0 HB2 ASP A 14 7.935 -9.784 -7.898 1.00 0.55 H new ATOM 0 HB3 ASP A 14 9.137 -11.041 -7.683 1.00 0.55 H new ATOM 188 N ALA A 15 9.719 -11.007 -4.914 1.00 0.41 N ATOM 189 CA ALA A 15 10.809 -10.458 -4.124 1.00 0.36 C ATOM 190 C ALA A 15 12.038 -10.248 -4.999 1.00 0.40 C ATOM 191 O ALA A 15 12.166 -10.867 -6.054 1.00 0.47 O ATOM 192 CB ALA A 15 11.136 -11.369 -2.957 1.00 0.42 C ATOM 0 H ALA A 15 9.858 -11.977 -5.196 1.00 0.41 H new ATOM 0 HA ALA A 15 10.496 -9.493 -3.725 1.00 0.36 H new ATOM 0 HB1 ALA A 15 11.954 -10.940 -2.379 1.00 0.42 H new ATOM 0 HB2 ALA A 15 10.258 -11.474 -2.320 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.432 -12.349 -3.332 1.00 0.42 H new ATOM 198 N GLY A 16 12.928 -9.367 -4.572 1.00 0.40 N ATOM 199 CA GLY A 16 14.098 -9.057 -5.364 1.00 0.48 C ATOM 200 C GLY A 16 14.381 -7.570 -5.401 1.00 0.49 C ATOM 201 O GLY A 16 13.833 -6.861 -6.244 1.00 1.04 O ATOM 0 H GLY A 16 12.861 -8.860 -3.689 1.00 0.40 H new ATOM 0 HA2 GLY A 16 14.962 -9.580 -4.954 1.00 0.48 H new ATOM 0 HA3 GLY A 16 13.955 -9.424 -6.380 1.00 0.48 H new ATOM 205 N GLN A 17 15.229 -7.105 -4.478 1.00 0.52 N ATOM 206 CA GLN A 17 15.591 -5.691 -4.374 1.00 0.49 C ATOM 207 C GLN A 17 14.383 -4.860 -3.955 1.00 0.39 C ATOM 208 O GLN A 17 13.684 -4.275 -4.785 1.00 0.41 O ATOM 209 CB GLN A 17 16.177 -5.177 -5.690 1.00 0.61 C ATOM 210 CG GLN A 17 16.699 -3.755 -5.616 1.00 0.67 C ATOM 211 CD GLN A 17 17.240 -3.268 -6.944 1.00 0.93 C ATOM 212 OE1 GLN A 17 18.424 -3.432 -7.247 1.00 1.56 O ATOM 213 NE2 GLN A 17 16.376 -2.672 -7.747 1.00 1.52 N ATOM 0 H GLN A 17 15.682 -7.699 -3.784 1.00 0.52 H new ATOM 0 HA GLN A 17 16.358 -5.591 -3.606 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.989 -5.836 -5.997 1.00 0.61 H new ATOM 0 HB3 GLN A 17 15.411 -5.233 -6.464 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.897 -3.093 -5.289 1.00 0.67 H new ATOM 0 HG3 GLN A 17 17.486 -3.698 -4.864 1.00 0.67 H new ATOM 0 HE21 GLN A 17 15.405 -2.557 -7.456 1.00 1.52 H new ATOM 0 HE22 GLN A 17 16.680 -2.327 -8.657 1.00 1.52 H new ATOM 222 N LEU A 18 14.145 -4.816 -2.657 1.00 0.34 N ATOM 223 CA LEU A 18 12.972 -4.157 -2.119 1.00 0.27 C ATOM 224 C LEU A 18 13.352 -2.940 -1.284 1.00 0.31 C ATOM 225 O LEU A 18 14.382 -2.932 -0.605 1.00 0.42 O ATOM 226 CB LEU A 18 12.174 -5.143 -1.268 1.00 0.24 C ATOM 227 CG LEU A 18 11.671 -6.371 -2.020 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.331 -7.491 -1.058 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.461 -6.011 -2.859 1.00 0.17 C ATOM 0 H LEU A 18 14.754 -5.232 -1.953 1.00 0.34 H new ATOM 0 HA LEU A 18 12.361 -3.814 -2.954 1.00 0.27 H new ATOM 0 HB2 LEU A 18 12.798 -5.473 -0.437 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.319 -4.622 -0.838 1.00 0.24 H new ATOM 0 HG LEU A 18 12.466 -6.719 -2.679 1.00 0.21 H new ATOM 0 HD11 LEU A 18 10.975 -8.356 -1.618 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.221 -7.767 -0.492 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.553 -7.157 -0.372 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.111 -6.896 -3.391 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.667 -5.639 -2.212 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.734 -5.239 -3.579 1.00 0.17 H new ATOM 241 N VAL A 19 12.514 -1.921 -1.348 1.00 0.29 N ATOM 242 CA VAL A 19 12.662 -0.731 -0.530 1.00 0.32 C ATOM 243 C VAL A 19 11.514 -0.675 0.471 1.00 0.30 C ATOM 244 O VAL A 19 10.345 -0.812 0.099 1.00 0.27 O ATOM 245 CB VAL A 19 12.700 0.562 -1.387 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.517 0.638 -2.344 1.00 0.34 C ATOM 247 CG2 VAL A 19 12.744 1.799 -0.502 1.00 0.42 C ATOM 0 H VAL A 19 11.708 -1.896 -1.972 1.00 0.29 H new ATOM 0 HA VAL A 19 13.615 -0.789 -0.004 1.00 0.32 H new ATOM 0 HB VAL A 19 13.611 0.527 -1.984 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.579 1.557 -2.927 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.537 -0.220 -3.016 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.587 0.631 -1.775 1.00 0.34 H new ATOM 0 HG21 VAL A 19 12.770 2.692 -1.126 1.00 0.42 H new ATOM 0 HG22 VAL A 19 11.857 1.825 0.132 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.636 1.767 0.124 1.00 0.42 H new ATOM 257 N SER A 20 11.843 -0.510 1.739 1.00 0.34 N ATOM 258 CA SER A 20 10.842 -0.565 2.785 1.00 0.33 C ATOM 259 C SER A 20 10.520 0.824 3.320 1.00 0.33 C ATOM 260 O SER A 20 11.273 1.781 3.120 1.00 0.35 O ATOM 261 CB SER A 20 11.322 -1.471 3.920 1.00 0.39 C ATOM 262 OG SER A 20 10.261 -1.789 4.809 1.00 0.47 O ATOM 0 H SER A 20 12.793 -0.337 2.068 1.00 0.34 H new ATOM 0 HA SER A 20 9.928 -0.977 2.357 1.00 0.33 H new ATOM 0 HB2 SER A 20 11.739 -2.388 3.505 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.124 -0.977 4.469 1.00 0.39 H new ATOM 0 HG SER A 20 10.596 -2.370 5.523 1.00 0.47 H new ATOM 268 N CYS A 21 9.390 0.907 4.004 1.00 0.33 N ATOM 269 CA CYS A 21 8.904 2.147 4.581 1.00 0.35 C ATOM 270 C CYS A 21 9.767 2.521 5.784 1.00 0.40 C ATOM 271 O CYS A 21 10.149 1.652 6.566 1.00 0.43 O ATOM 272 CB CYS A 21 7.451 1.942 5.010 1.00 0.37 C ATOM 273 SG CYS A 21 6.417 3.422 4.997 1.00 0.34 S ATOM 0 H CYS A 21 8.780 0.108 4.175 1.00 0.33 H new ATOM 0 HA CYS A 21 8.959 2.955 3.852 1.00 0.35 H new ATOM 0 HB2 CYS A 21 6.999 1.199 4.353 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.444 1.524 6.017 1.00 0.37 H new ATOM 0 HG CYS A 21 5.354 3.202 4.282 1.00 0.34 H new ATOM 278 N LYS A 22 10.077 3.803 5.939 1.00 0.52 N ATOM 279 CA LYS A 22 10.946 4.239 7.026 1.00 0.61 C ATOM 280 C LYS A 22 10.147 4.691 8.244 1.00 0.63 C ATOM 281 O LYS A 22 10.634 5.468 9.066 1.00 0.78 O ATOM 282 CB LYS A 22 11.881 5.356 6.558 1.00 0.74 C ATOM 283 CG LYS A 22 12.974 4.876 5.616 1.00 1.35 C ATOM 284 CD LYS A 22 13.976 5.979 5.317 1.00 1.65 C ATOM 285 CE LYS A 22 15.196 5.453 4.571 1.00 2.25 C ATOM 286 NZ LYS A 22 14.856 4.949 3.213 1.00 2.79 N ATOM 0 H LYS A 22 9.744 4.552 5.333 1.00 0.52 H new ATOM 0 HA LYS A 22 11.547 3.380 7.324 1.00 0.61 H new ATOM 0 HB2 LYS A 22 11.293 6.126 6.058 1.00 0.74 H new ATOM 0 HB3 LYS A 22 12.342 5.822 7.429 1.00 0.74 H new ATOM 0 HG2 LYS A 22 13.490 4.025 6.060 1.00 1.35 H new ATOM 0 HG3 LYS A 22 12.526 4.528 4.685 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.494 6.755 4.723 1.00 1.65 H new ATOM 0 HD3 LYS A 22 14.294 6.443 6.251 1.00 1.65 H new ATOM 0 HE2 LYS A 22 15.937 6.248 4.486 1.00 2.25 H new ATOM 0 HE3 LYS A 22 15.654 4.651 5.149 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 15.718 4.602 2.746 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 14.169 4.172 3.293 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 14.443 5.720 2.650 1.00 2.79 H new ATOM 300 N LYS A 23 8.916 4.217 8.354 1.00 0.60 N ATOM 301 CA LYS A 23 8.098 4.503 9.523 1.00 0.66 C ATOM 302 C LYS A 23 7.748 3.213 10.254 1.00 0.65 C ATOM 303 O LYS A 23 7.040 2.363 9.708 1.00 0.61 O ATOM 304 CB LYS A 23 6.818 5.252 9.136 1.00 0.75 C ATOM 305 CG LYS A 23 7.076 6.619 8.521 1.00 1.23 C ATOM 306 CD LYS A 23 5.832 7.495 8.544 1.00 1.50 C ATOM 307 CE LYS A 23 4.660 6.851 7.820 1.00 1.95 C ATOM 308 NZ LYS A 23 3.469 7.737 7.810 1.00 2.27 N ATOM 0 H LYS A 23 8.462 3.634 7.651 1.00 0.60 H new ATOM 0 HA LYS A 23 8.678 5.143 10.188 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.252 4.646 8.429 1.00 0.75 H new ATOM 0 HB3 LYS A 23 6.195 5.373 10.023 1.00 0.75 H new ATOM 0 HG2 LYS A 23 7.880 7.116 9.064 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.415 6.496 7.492 1.00 1.23 H new ATOM 0 HD2 LYS A 23 5.551 7.697 9.578 1.00 1.50 H new ATOM 0 HD3 LYS A 23 6.058 8.456 8.082 1.00 1.50 H new ATOM 0 HE2 LYS A 23 4.949 6.617 6.795 1.00 1.95 H new ATOM 0 HE3 LYS A 23 4.408 5.907 8.303 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 2.616 7.170 7.627 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 3.380 8.209 8.732 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 3.575 8.453 7.064 1.00 2.27 H new ATOM 322 N PRO A 24 8.253 3.043 11.491 1.00 0.77 N ATOM 323 CA PRO A 24 7.960 1.863 12.314 1.00 0.83 C ATOM 324 C PRO A 24 6.461 1.591 12.417 1.00 0.80 C ATOM 325 O PRO A 24 5.666 2.506 12.661 1.00 0.86 O ATOM 326 CB PRO A 24 8.530 2.232 13.683 1.00 1.01 C ATOM 327 CG PRO A 24 9.617 3.203 13.389 1.00 1.18 C ATOM 328 CD PRO A 24 9.162 3.981 12.181 1.00 0.93 C ATOM 0 HA PRO A 24 8.389 0.954 11.892 1.00 0.83 H new ATOM 0 HB2 PRO A 24 7.767 2.674 14.324 1.00 1.01 H new ATOM 0 HB3 PRO A 24 8.913 1.354 14.202 1.00 1.01 H new ATOM 0 HG2 PRO A 24 9.789 3.865 14.238 1.00 1.18 H new ATOM 0 HG3 PRO A 24 10.557 2.688 13.190 1.00 1.18 H new ATOM 0 HD2 PRO A 24 8.650 4.901 12.465 1.00 0.93 H new ATOM 0 HD3 PRO A 24 10.002 4.266 11.547 1.00 0.93 H new ATOM 336 N GLY A 25 6.080 0.337 12.227 1.00 0.76 N ATOM 337 CA GLY A 25 4.680 -0.028 12.238 1.00 0.75 C ATOM 338 C GLY A 25 4.209 -0.492 10.876 1.00 0.65 C ATOM 339 O GLY A 25 3.234 -1.238 10.768 1.00 0.83 O ATOM 0 H GLY A 25 6.721 -0.439 12.064 1.00 0.76 H new ATOM 0 HA2 GLY A 25 4.517 -0.820 12.968 1.00 0.75 H new ATOM 0 HA3 GLY A 25 4.084 0.827 12.557 1.00 0.75 H new ATOM 343 N CYS A 26 4.903 -0.049 9.837 1.00 0.48 N ATOM 344 CA CYS A 26 4.573 -0.427 8.473 1.00 0.39 C ATOM 345 C CYS A 26 5.401 -1.643 8.057 1.00 0.34 C ATOM 346 O CYS A 26 6.596 -1.523 7.782 1.00 0.40 O ATOM 347 CB CYS A 26 4.859 0.751 7.541 1.00 0.44 C ATOM 348 SG CYS A 26 4.107 0.638 5.902 1.00 0.35 S ATOM 0 H CYS A 26 5.704 0.577 9.916 1.00 0.48 H new ATOM 0 HA CYS A 26 3.516 -0.687 8.410 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.510 1.666 8.021 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.938 0.845 7.422 1.00 0.44 H new ATOM 0 HG CYS A 26 5.034 0.443 5.012 1.00 0.35 H new ATOM 353 N PRO A 27 4.777 -2.831 8.002 1.00 0.37 N ATOM 354 CA PRO A 27 5.459 -4.076 7.685 1.00 0.45 C ATOM 355 C PRO A 27 5.368 -4.436 6.205 1.00 0.45 C ATOM 356 O PRO A 27 5.411 -5.611 5.842 1.00 0.66 O ATOM 357 CB PRO A 27 4.671 -5.076 8.526 1.00 0.57 C ATOM 358 CG PRO A 27 3.263 -4.568 8.478 1.00 0.57 C ATOM 359 CD PRO A 27 3.347 -3.069 8.267 1.00 0.44 C ATOM 0 HA PRO A 27 6.529 -4.040 7.891 1.00 0.45 H new ATOM 0 HB2 PRO A 27 4.745 -6.084 8.119 1.00 0.57 H new ATOM 0 HB3 PRO A 27 5.045 -5.118 9.549 1.00 0.57 H new ATOM 0 HG2 PRO A 27 2.708 -5.042 7.668 1.00 0.57 H new ATOM 0 HG3 PRO A 27 2.736 -4.799 9.404 1.00 0.57 H new ATOM 0 HD2 PRO A 27 2.726 -2.747 7.431 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.006 -2.522 9.146 1.00 0.44 H new ATOM 367 N LYS A 28 5.223 -3.428 5.359 1.00 0.30 N ATOM 368 CA LYS A 28 5.091 -3.650 3.923 1.00 0.30 C ATOM 369 C LYS A 28 6.359 -3.218 3.186 1.00 0.27 C ATOM 370 O LYS A 28 7.095 -2.347 3.660 1.00 0.31 O ATOM 371 CB LYS A 28 3.868 -2.899 3.381 1.00 0.32 C ATOM 372 CG LYS A 28 2.818 -3.810 2.747 1.00 0.42 C ATOM 373 CD LYS A 28 2.335 -4.880 3.718 1.00 0.52 C ATOM 374 CE LYS A 28 1.196 -5.695 3.126 1.00 0.70 C ATOM 375 NZ LYS A 28 0.839 -6.863 3.975 1.00 1.00 N ATOM 0 H LYS A 28 5.193 -2.448 5.639 1.00 0.30 H new ATOM 0 HA LYS A 28 4.949 -4.717 3.751 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.407 -2.339 4.195 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.199 -2.171 2.641 1.00 0.32 H new ATOM 0 HG2 LYS A 28 1.970 -3.211 2.415 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.238 -4.286 1.861 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.163 -5.541 3.974 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.005 -4.410 4.644 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.321 -5.057 3.003 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.479 -6.043 2.133 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.059 -7.389 3.532 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 1.665 -7.487 4.072 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.543 -6.531 4.915 1.00 1.00 H new ATOM 389 N VAL A 29 6.614 -3.832 2.037 1.00 0.23 N ATOM 390 CA VAL A 29 7.788 -3.502 1.239 1.00 0.20 C ATOM 391 C VAL A 29 7.448 -3.579 -0.254 1.00 0.18 C ATOM 392 O VAL A 29 6.496 -4.263 -0.648 1.00 0.21 O ATOM 393 CB VAL A 29 8.966 -4.443 1.573 1.00 0.22 C ATOM 394 CG1 VAL A 29 8.853 -5.761 0.841 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.293 -3.781 1.281 1.00 0.44 C ATOM 0 H VAL A 29 6.023 -4.561 1.637 1.00 0.23 H new ATOM 0 HA VAL A 29 8.092 -2.483 1.480 1.00 0.20 H new ATOM 0 HB VAL A 29 8.918 -4.653 2.642 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.700 -6.396 1.102 1.00 0.31 H new ATOM 0 HG12 VAL A 29 7.926 -6.258 1.127 1.00 0.31 H new ATOM 0 HG13 VAL A 29 8.852 -5.581 -0.234 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.104 -4.467 1.526 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.345 -3.521 0.224 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.389 -2.877 1.882 1.00 0.44 H new ATOM 405 N TYR A 30 8.214 -2.870 -1.077 1.00 0.19 N ATOM 406 CA TYR A 30 7.940 -2.784 -2.512 1.00 0.20 C ATOM 407 C TYR A 30 9.243 -2.628 -3.285 1.00 0.20 C ATOM 408 O TYR A 30 10.287 -2.382 -2.700 1.00 0.21 O ATOM 409 CB TYR A 30 7.054 -1.574 -2.829 1.00 0.29 C ATOM 410 CG TYR A 30 5.738 -1.518 -2.084 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.646 -2.268 -2.499 1.00 0.44 C ATOM 412 CD2 TYR A 30 5.585 -0.698 -0.973 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.441 -2.203 -1.830 1.00 0.55 C ATOM 414 CE2 TYR A 30 4.384 -0.630 -0.296 1.00 0.57 C ATOM 415 CZ TYR A 30 3.315 -1.385 -0.728 1.00 0.60 C ATOM 416 OH TYR A 30 2.116 -1.317 -0.060 1.00 0.72 O ATOM 0 H TYR A 30 9.034 -2.343 -0.775 1.00 0.19 H new ATOM 0 HA TYR A 30 7.429 -3.701 -2.805 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.616 -0.666 -2.608 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.846 -1.568 -3.899 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.741 -2.913 -3.360 1.00 0.44 H new ATOM 0 HD2 TYR A 30 6.420 -0.103 -0.633 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.600 -2.790 -2.168 1.00 0.55 H new ATOM 0 HE2 TYR A 30 4.283 0.011 0.567 1.00 0.57 H new ATOM 0 HH TYR A 30 2.251 -0.892 0.813 1.00 0.72 H new ATOM 426 N HIS A 31 9.174 -2.781 -4.600 1.00 0.23 N ATOM 427 CA HIS A 31 10.313 -2.479 -5.463 1.00 0.26 C ATOM 428 C HIS A 31 10.306 -0.995 -5.772 1.00 0.32 C ATOM 429 O HIS A 31 9.244 -0.388 -5.901 1.00 0.35 O ATOM 430 CB HIS A 31 10.248 -3.243 -6.795 1.00 0.28 C ATOM 431 CG HIS A 31 10.112 -4.721 -6.668 1.00 0.26 C ATOM 432 ND1 HIS A 31 9.016 -5.384 -7.161 1.00 0.30 N ATOM 433 CD2 HIS A 31 10.961 -5.614 -6.117 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.217 -6.665 -6.894 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.390 -6.855 -6.262 1.00 0.28 N ATOM 0 H HIS A 31 8.345 -3.111 -5.094 1.00 0.23 H new ATOM 0 HA HIS A 31 11.219 -2.781 -4.937 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.405 -2.864 -7.373 1.00 0.28 H new ATOM 0 HB3 HIS A 31 11.150 -3.024 -7.366 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.910 -5.394 -5.650 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.528 -7.456 -7.150 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.779 -7.746 -5.952 1.00 0.28 H new ATOM 443 N ALA A 32 11.482 -0.416 -5.900 1.00 0.38 N ATOM 444 CA ALA A 32 11.599 0.981 -6.271 1.00 0.45 C ATOM 445 C ALA A 32 11.100 1.186 -7.696 1.00 0.48 C ATOM 446 O ALA A 32 10.563 2.239 -8.039 1.00 0.55 O ATOM 447 CB ALA A 32 13.037 1.446 -6.122 1.00 0.53 C ATOM 0 H ALA A 32 12.372 -0.891 -5.753 1.00 0.38 H new ATOM 0 HA ALA A 32 10.980 1.581 -5.604 1.00 0.45 H new ATOM 0 HB1 ALA A 32 13.111 2.496 -6.404 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.353 1.325 -5.086 1.00 0.53 H new ATOM 0 HB3 ALA A 32 13.681 0.851 -6.769 1.00 0.53 H new ATOM 453 N ASP A 33 11.272 0.155 -8.513 1.00 0.48 N ATOM 454 CA ASP A 33 10.891 0.197 -9.922 1.00 0.55 C ATOM 455 C ASP A 33 9.376 0.321 -10.097 1.00 0.54 C ATOM 456 O ASP A 33 8.902 1.150 -10.874 1.00 0.62 O ATOM 457 CB ASP A 33 11.403 -1.056 -10.643 1.00 0.60 C ATOM 458 CG ASP A 33 11.102 -1.039 -12.127 1.00 1.35 C ATOM 459 OD1 ASP A 33 10.036 -1.545 -12.530 1.00 1.90 O ATOM 460 OD2 ASP A 33 11.940 -0.535 -12.904 1.00 2.01 O ATOM 0 H ASP A 33 11.679 -0.733 -8.220 1.00 0.48 H new ATOM 0 HA ASP A 33 11.349 1.083 -10.363 1.00 0.55 H new ATOM 0 HB2 ASP A 33 12.480 -1.141 -10.496 1.00 0.60 H new ATOM 0 HB3 ASP A 33 10.949 -1.940 -10.194 1.00 0.60 H new ATOM 465 N CYS A 34 8.617 -0.487 -9.360 1.00 0.48 N ATOM 466 CA CYS A 34 7.162 -0.499 -9.494 1.00 0.52 C ATOM 467 C CYS A 34 6.541 0.713 -8.802 1.00 0.56 C ATOM 468 O CYS A 34 5.418 1.112 -9.108 1.00 0.67 O ATOM 469 CB CYS A 34 6.586 -1.807 -8.927 1.00 0.50 C ATOM 470 SG CYS A 34 7.288 -2.283 -7.332 1.00 0.44 S ATOM 0 H CYS A 34 8.983 -1.139 -8.667 1.00 0.48 H new ATOM 0 HA CYS A 34 6.913 -0.442 -10.554 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.506 -1.702 -8.821 1.00 0.50 H new ATOM 0 HB3 CYS A 34 6.759 -2.610 -9.644 1.00 0.50 H new ATOM 0 HG CYS A 34 8.050 -1.327 -6.891 1.00 0.44 H new ATOM 475 N LEU A 35 7.285 1.301 -7.873 1.00 0.52 N ATOM 476 CA LEU A 35 6.845 2.516 -7.196 1.00 0.58 C ATOM 477 C LEU A 35 7.173 3.752 -8.026 1.00 0.67 C ATOM 478 O LEU A 35 6.862 4.879 -7.630 1.00 0.74 O ATOM 479 CB LEU A 35 7.517 2.635 -5.833 1.00 0.55 C ATOM 480 CG LEU A 35 7.138 1.575 -4.803 1.00 0.49 C ATOM 481 CD1 LEU A 35 8.017 1.724 -3.579 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.671 1.693 -4.417 1.00 0.54 C ATOM 0 H LEU A 35 8.196 0.956 -7.571 1.00 0.52 H new ATOM 0 HA LEU A 35 5.765 2.453 -7.067 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.597 2.601 -5.979 1.00 0.55 H new ATOM 0 HB3 LEU A 35 7.282 3.615 -5.419 1.00 0.55 H new ATOM 0 HG LEU A 35 7.291 0.589 -5.241 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.747 0.967 -2.843 1.00 0.48 H new ATOM 0 HD12 LEU A 35 9.062 1.597 -3.864 1.00 0.48 H new ATOM 0 HD13 LEU A 35 7.876 2.715 -3.148 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.425 0.927 -3.682 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.485 2.678 -3.990 1.00 0.54 H new ATOM 0 HD23 LEU A 35 5.050 1.559 -5.303 1.00 0.54 H new ATOM 494 N ASN A 36 7.813 3.523 -9.171 1.00 0.68 N ATOM 495 CA ASN A 36 8.223 4.592 -10.077 1.00 0.77 C ATOM 496 C ASN A 36 9.258 5.499 -9.421 1.00 0.78 C ATOM 497 O ASN A 36 9.328 6.697 -9.706 1.00 0.87 O ATOM 498 CB ASN A 36 7.014 5.415 -10.538 1.00 0.86 C ATOM 499 CG ASN A 36 6.099 4.648 -11.470 1.00 1.46 C ATOM 500 OD1 ASN A 36 6.286 4.656 -12.687 1.00 2.09 O ATOM 501 ND2 ASN A 36 5.087 4.003 -10.912 1.00 2.13 N ATOM 0 H ASN A 36 8.062 2.589 -9.497 1.00 0.68 H new ATOM 0 HA ASN A 36 8.678 4.126 -10.951 1.00 0.77 H new ATOM 0 HB2 ASN A 36 6.447 5.738 -9.665 1.00 0.86 H new ATOM 0 HB3 ASN A 36 7.365 6.316 -11.042 1.00 0.86 H new ATOM 0 HD21 ASN A 36 4.427 3.488 -11.495 1.00 2.13 H new ATOM 0 HD22 ASN A 36 4.967 4.021 -9.899 1.00 2.13 H new ATOM 508 N LEU A 37 10.069 4.919 -8.547 1.00 0.71 N ATOM 509 CA LEU A 37 11.088 5.670 -7.834 1.00 0.75 C ATOM 510 C LEU A 37 12.380 5.733 -8.641 1.00 0.83 C ATOM 511 O LEU A 37 13.363 5.061 -8.319 1.00 0.88 O ATOM 512 CB LEU A 37 11.363 5.051 -6.461 1.00 0.69 C ATOM 513 CG LEU A 37 10.199 5.096 -5.464 1.00 0.69 C ATOM 514 CD1 LEU A 37 10.622 4.512 -4.126 1.00 0.69 C ATOM 515 CD2 LEU A 37 9.699 6.521 -5.282 1.00 0.78 C ATOM 0 H LEU A 37 10.039 3.926 -8.315 1.00 0.71 H new ATOM 0 HA LEU A 37 10.713 6.684 -7.692 1.00 0.75 H new ATOM 0 HB2 LEU A 37 11.654 4.010 -6.604 1.00 0.69 H new ATOM 0 HB3 LEU A 37 12.217 5.563 -6.017 1.00 0.69 H new ATOM 0 HG LEU A 37 9.384 4.494 -5.866 1.00 0.69 H new ATOM 0 HD11 LEU A 37 9.784 4.552 -3.430 1.00 0.69 H new ATOM 0 HD12 LEU A 37 10.931 3.476 -4.263 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.455 5.089 -3.724 1.00 0.69 H new ATOM 0 HD21 LEU A 37 8.873 6.529 -4.571 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.509 7.145 -4.905 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.356 6.911 -6.240 1.00 0.78 H new ATOM 527 N THR A 38 12.361 6.523 -9.705 1.00 0.91 N ATOM 528 CA THR A 38 13.562 6.801 -10.472 1.00 1.03 C ATOM 529 C THR A 38 14.528 7.610 -9.612 1.00 1.04 C ATOM 530 O THR A 38 15.749 7.473 -9.709 1.00 1.14 O ATOM 531 CB THR A 38 13.220 7.594 -11.748 1.00 1.16 C ATOM 532 OG1 THR A 38 12.028 7.064 -12.342 1.00 1.43 O ATOM 533 CG2 THR A 38 14.359 7.525 -12.753 1.00 1.59 C ATOM 0 H THR A 38 11.522 6.984 -10.056 1.00 0.91 H new ATOM 0 HA THR A 38 14.022 5.857 -10.764 1.00 1.03 H new ATOM 0 HB THR A 38 13.064 8.637 -11.471 1.00 1.16 H new ATOM 0 HG1 THR A 38 11.813 7.572 -13.152 1.00 1.43 H new ATOM 0 HG21 THR A 38 14.092 8.093 -13.645 1.00 1.59 H new ATOM 0 HG22 THR A 38 15.261 7.947 -12.310 1.00 1.59 H new ATOM 0 HG23 THR A 38 14.541 6.486 -13.026 1.00 1.59 H new ATOM 541 N LYS A 39 13.953 8.445 -8.761 1.00 0.99 N ATOM 542 CA LYS A 39 14.703 9.220 -7.796 1.00 1.02 C ATOM 543 C LYS A 39 14.620 8.550 -6.429 1.00 0.94 C ATOM 544 O LYS A 39 13.527 8.291 -5.928 1.00 0.96 O ATOM 545 CB LYS A 39 14.138 10.641 -7.730 1.00 1.12 C ATOM 546 CG LYS A 39 14.654 11.462 -6.559 1.00 1.57 C ATOM 547 CD LYS A 39 16.145 11.730 -6.668 1.00 1.98 C ATOM 548 CE LYS A 39 16.640 12.577 -5.508 1.00 2.58 C ATOM 549 NZ LYS A 39 18.067 12.954 -5.665 1.00 3.17 N ATOM 0 H LYS A 39 12.946 8.602 -8.723 1.00 0.99 H new ATOM 0 HA LYS A 39 15.749 9.272 -8.099 1.00 1.02 H new ATOM 0 HB2 LYS A 39 14.380 11.160 -8.658 1.00 1.12 H new ATOM 0 HB3 LYS A 39 13.051 10.586 -7.670 1.00 1.12 H new ATOM 0 HG2 LYS A 39 14.117 12.410 -6.516 1.00 1.57 H new ATOM 0 HG3 LYS A 39 14.447 10.935 -5.627 1.00 1.57 H new ATOM 0 HD2 LYS A 39 16.686 10.784 -6.687 1.00 1.98 H new ATOM 0 HD3 LYS A 39 16.358 12.238 -7.609 1.00 1.98 H new ATOM 0 HE2 LYS A 39 16.033 13.479 -5.433 1.00 2.58 H new ATOM 0 HE3 LYS A 39 16.511 12.027 -4.576 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 18.365 13.531 -4.853 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 18.650 12.094 -5.711 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 18.187 13.501 -6.541 1.00 3.17 H new ATOM 563 N ARG A 40 15.771 8.251 -5.842 1.00 0.97 N ATOM 564 CA ARG A 40 15.809 7.652 -4.517 1.00 0.95 C ATOM 565 C ARG A 40 15.506 8.711 -3.457 1.00 0.91 C ATOM 566 O ARG A 40 16.242 9.690 -3.320 1.00 1.01 O ATOM 567 CB ARG A 40 17.171 6.995 -4.260 1.00 1.10 C ATOM 568 CG ARG A 40 17.304 6.375 -2.877 1.00 1.80 C ATOM 569 CD ARG A 40 18.522 5.466 -2.782 1.00 1.93 C ATOM 570 NE ARG A 40 19.769 6.165 -3.094 1.00 2.49 N ATOM 571 CZ ARG A 40 20.967 5.580 -3.113 1.00 2.88 C ATOM 572 NH1 ARG A 40 21.082 4.285 -2.848 1.00 2.66 N ATOM 573 NH2 ARG A 40 22.047 6.291 -3.402 1.00 3.84 N ATOM 0 H ARG A 40 16.687 8.413 -6.261 1.00 0.97 H new ATOM 0 HA ARG A 40 15.047 6.875 -4.460 1.00 0.95 H new ATOM 0 HB2 ARG A 40 17.339 6.223 -5.011 1.00 1.10 H new ATOM 0 HB3 ARG A 40 17.954 7.742 -4.390 1.00 1.10 H new ATOM 0 HG2 ARG A 40 17.380 7.165 -2.130 1.00 1.80 H new ATOM 0 HG3 ARG A 40 16.405 5.804 -2.646 1.00 1.80 H new ATOM 0 HD2 ARG A 40 18.584 5.051 -1.776 1.00 1.93 H new ATOM 0 HD3 ARG A 40 18.399 4.626 -3.466 1.00 1.93 H new ATOM 0 HE ARG A 40 19.719 7.161 -3.310 1.00 2.49 H new ATOM 0 HH11 ARG A 40 20.252 3.734 -2.629 1.00 2.66 H new ATOM 0 HH12 ARG A 40 22.000 3.841 -2.863 1.00 2.66 H new ATOM 0 HH21 ARG A 40 21.962 7.286 -3.610 1.00 3.84 H new ATOM 0 HH22 ARG A 40 22.963 5.843 -3.416 1.00 3.84 H new ATOM 587 N PRO A 41 14.406 8.536 -2.706 1.00 0.85 N ATOM 588 CA PRO A 41 13.957 9.521 -1.715 1.00 0.87 C ATOM 589 C PRO A 41 14.921 9.660 -0.542 1.00 0.96 C ATOM 590 O PRO A 41 15.375 8.666 0.030 1.00 1.05 O ATOM 591 CB PRO A 41 12.612 8.964 -1.239 1.00 0.88 C ATOM 592 CG PRO A 41 12.688 7.504 -1.510 1.00 0.96 C ATOM 593 CD PRO A 41 13.505 7.369 -2.766 1.00 0.86 C ATOM 0 HA PRO A 41 13.893 10.521 -2.144 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.455 9.162 -0.179 1.00 0.88 H new ATOM 0 HB3 PRO A 41 11.782 9.423 -1.775 1.00 0.88 H new ATOM 0 HG2 PRO A 41 13.155 6.975 -0.679 1.00 0.96 H new ATOM 0 HG3 PRO A 41 11.694 7.077 -1.641 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.061 6.431 -2.787 1.00 0.86 H new ATOM 0 HD3 PRO A 41 12.879 7.388 -3.658 1.00 0.86 H new ATOM 601 N ALA A 42 15.225 10.897 -0.183 1.00 1.05 N ATOM 602 CA ALA A 42 16.135 11.174 0.915 1.00 1.18 C ATOM 603 C ALA A 42 15.352 11.527 2.177 1.00 1.15 C ATOM 604 O ALA A 42 14.297 12.155 2.102 1.00 1.21 O ATOM 605 CB ALA A 42 17.082 12.301 0.535 1.00 1.41 C ATOM 0 H ALA A 42 14.852 11.729 -0.640 1.00 1.05 H new ATOM 0 HA ALA A 42 16.725 10.281 1.120 1.00 1.18 H new ATOM 0 HB1 ALA A 42 17.760 12.501 1.364 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.659 12.011 -0.343 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.507 13.200 0.311 1.00 1.41 H new ATOM 611 N GLY A 43 15.858 11.113 3.331 1.00 1.17 N ATOM 612 CA GLY A 43 15.184 11.405 4.580 1.00 1.18 C ATOM 613 C GLY A 43 14.167 10.346 4.937 1.00 1.04 C ATOM 614 O GLY A 43 14.424 9.150 4.777 1.00 1.12 O ATOM 0 H GLY A 43 16.723 10.580 3.424 1.00 1.17 H new ATOM 0 HA2 GLY A 43 15.921 11.484 5.379 1.00 1.18 H new ATOM 0 HA3 GLY A 43 14.688 12.373 4.507 1.00 1.18 H new ATOM 618 N LYS A 44 13.013 10.779 5.416 1.00 1.00 N ATOM 619 CA LYS A 44 11.946 9.864 5.787 1.00 0.92 C ATOM 620 C LYS A 44 10.989 9.667 4.624 1.00 0.80 C ATOM 621 O LYS A 44 10.239 10.575 4.262 1.00 0.84 O ATOM 622 CB LYS A 44 11.180 10.397 6.997 1.00 1.04 C ATOM 623 CG LYS A 44 11.995 10.417 8.279 1.00 1.53 C ATOM 624 CD LYS A 44 11.256 11.153 9.387 1.00 1.94 C ATOM 625 CE LYS A 44 12.041 11.150 10.691 1.00 2.69 C ATOM 626 NZ LYS A 44 12.169 9.785 11.266 1.00 3.46 N ATOM 0 H LYS A 44 12.790 11.764 5.558 1.00 1.00 H new ATOM 0 HA LYS A 44 12.395 8.905 6.046 1.00 0.92 H new ATOM 0 HB2 LYS A 44 10.836 11.408 6.781 1.00 1.04 H new ATOM 0 HB3 LYS A 44 10.292 9.784 7.152 1.00 1.04 H new ATOM 0 HG2 LYS A 44 12.206 9.395 8.595 1.00 1.53 H new ATOM 0 HG3 LYS A 44 12.955 10.899 8.096 1.00 1.53 H new ATOM 0 HD2 LYS A 44 11.069 12.181 9.078 1.00 1.94 H new ATOM 0 HD3 LYS A 44 10.284 10.687 9.547 1.00 1.94 H new ATOM 0 HE2 LYS A 44 13.034 11.563 10.516 1.00 2.69 H new ATOM 0 HE3 LYS A 44 11.547 11.801 11.412 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 12.558 9.849 12.228 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 11.233 9.334 11.300 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 12.806 9.216 10.672 1.00 3.46 H new ATOM 640 N TRP A 45 11.028 8.486 4.034 1.00 0.72 N ATOM 641 CA TRP A 45 10.135 8.157 2.944 1.00 0.62 C ATOM 642 C TRP A 45 8.925 7.392 3.460 1.00 0.53 C ATOM 643 O TRP A 45 9.062 6.389 4.170 1.00 0.53 O ATOM 644 CB TRP A 45 10.863 7.338 1.874 1.00 0.62 C ATOM 645 CG TRP A 45 9.956 6.851 0.786 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.420 7.591 -0.227 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.474 5.514 0.605 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.630 6.802 -1.021 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.647 5.522 -0.533 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.661 4.314 1.297 1.00 0.47 C ATOM 651 CZ2 TRP A 45 8.008 4.375 -0.994 1.00 0.43 C ATOM 652 CZ3 TRP A 45 9.025 3.176 0.836 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.209 3.213 -0.299 1.00 0.42 C ATOM 0 H TRP A 45 11.671 7.739 4.294 1.00 0.72 H new ATOM 0 HA TRP A 45 9.793 9.088 2.492 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.653 7.947 1.434 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.346 6.482 2.346 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.593 8.646 -0.381 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.113 7.117 -1.842 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.290 4.276 2.174 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.376 4.401 -1.869 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 9.161 2.242 1.362 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.728 2.306 -0.634 1.00 0.42 H new ATOM 664 N GLU A 46 7.748 7.881 3.113 1.00 0.51 N ATOM 665 CA GLU A 46 6.506 7.228 3.477 1.00 0.48 C ATOM 666 C GLU A 46 5.931 6.530 2.249 1.00 0.39 C ATOM 667 O GLU A 46 5.828 7.136 1.184 1.00 0.42 O ATOM 668 CB GLU A 46 5.513 8.259 4.016 1.00 0.60 C ATOM 669 CG GLU A 46 6.064 9.084 5.170 1.00 1.17 C ATOM 670 CD GLU A 46 5.111 10.168 5.624 1.00 1.33 C ATOM 671 OE1 GLU A 46 5.108 11.255 5.015 1.00 1.73 O ATOM 672 OE2 GLU A 46 4.359 9.941 6.597 1.00 1.82 O ATOM 0 H GLU A 46 7.627 8.738 2.573 1.00 0.51 H new ATOM 0 HA GLU A 46 6.694 6.490 4.256 1.00 0.48 H new ATOM 0 HB2 GLU A 46 5.221 8.929 3.207 1.00 0.60 H new ATOM 0 HB3 GLU A 46 4.610 7.745 4.345 1.00 0.60 H new ATOM 0 HG2 GLU A 46 6.283 8.425 6.010 1.00 1.17 H new ATOM 0 HG3 GLU A 46 7.007 9.539 4.867 1.00 1.17 H new ATOM 679 N CYS A 47 5.584 5.255 2.389 1.00 0.32 N ATOM 680 CA CYS A 47 5.054 4.489 1.266 1.00 0.28 C ATOM 681 C CYS A 47 3.706 5.062 0.819 1.00 0.26 C ATOM 682 O CYS A 47 2.945 5.586 1.636 1.00 0.27 O ATOM 683 CB CYS A 47 4.908 3.003 1.638 1.00 0.28 C ATOM 684 SG CYS A 47 3.534 2.627 2.753 1.00 0.26 S ATOM 0 H CYS A 47 5.659 4.733 3.262 1.00 0.32 H new ATOM 0 HA CYS A 47 5.758 4.566 0.438 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.782 2.425 0.722 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.835 2.667 2.102 1.00 0.28 H new ATOM 0 HG CYS A 47 3.968 1.917 3.752 1.00 0.26 H new ATOM 689 N PRO A 48 3.398 4.968 -0.492 1.00 0.27 N ATOM 690 CA PRO A 48 2.150 5.501 -1.064 1.00 0.29 C ATOM 691 C PRO A 48 0.914 4.760 -0.564 1.00 0.27 C ATOM 692 O PRO A 48 -0.215 5.120 -0.896 1.00 0.30 O ATOM 693 CB PRO A 48 2.322 5.291 -2.573 1.00 0.35 C ATOM 694 CG PRO A 48 3.322 4.195 -2.696 1.00 0.34 C ATOM 695 CD PRO A 48 4.249 4.347 -1.524 1.00 0.29 C ATOM 0 HA PRO A 48 1.992 6.542 -0.781 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.378 5.019 -3.044 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.671 6.201 -3.061 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.835 3.220 -2.685 1.00 0.34 H new ATOM 0 HG3 PRO A 48 3.867 4.268 -3.637 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.642 3.385 -1.195 1.00 0.29 H new ATOM 0 HD3 PRO A 48 5.106 4.974 -1.769 1.00 0.29 H new ATOM 703 N TRP A 49 1.148 3.730 0.243 1.00 0.24 N ATOM 704 CA TRP A 49 0.080 2.965 0.871 1.00 0.23 C ATOM 705 C TRP A 49 -0.469 3.741 2.072 1.00 0.23 C ATOM 706 O TRP A 49 -1.370 3.287 2.771 1.00 0.27 O ATOM 707 CB TRP A 49 0.625 1.598 1.310 1.00 0.22 C ATOM 708 CG TRP A 49 -0.418 0.537 1.509 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.454 0.234 0.672 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.504 -0.385 2.604 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.179 -0.818 1.181 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.619 -1.212 2.367 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.251 -0.590 3.765 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.994 -2.226 3.243 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.125 -1.597 4.635 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.239 -2.404 4.370 1.00 0.32 C ATOM 0 H TRP A 49 2.085 3.403 0.479 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.732 2.807 0.161 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.338 1.250 0.563 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.176 1.725 2.242 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.672 0.746 -0.254 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -3.001 -1.237 0.746 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.112 0.027 3.977 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.851 -2.851 3.040 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.450 -1.764 5.534 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.507 -3.182 5.069 1.00 0.32 H new ATOM 727 N HIS A 50 0.115 4.912 2.321 1.00 0.23 N ATOM 728 CA HIS A 50 -0.391 5.818 3.344 1.00 0.24 C ATOM 729 C HIS A 50 -1.043 7.033 2.698 1.00 0.25 C ATOM 730 O HIS A 50 -1.518 7.937 3.389 1.00 0.29 O ATOM 731 CB HIS A 50 0.734 6.301 4.263 1.00 0.27 C ATOM 732 CG HIS A 50 1.516 5.218 4.937 1.00 0.28 C ATOM 733 ND1 HIS A 50 1.025 3.966 5.235 1.00 0.32 N ATOM 734 CD2 HIS A 50 2.796 5.235 5.384 1.00 0.30 C ATOM 735 CE1 HIS A 50 2.005 3.276 5.842 1.00 0.35 C ATOM 736 NE2 HIS A 50 3.102 4.006 5.955 1.00 0.34 N ATOM 0 H HIS A 50 0.939 5.253 1.827 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.124 5.267 3.933 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.421 6.913 3.679 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.304 6.947 5.029 1.00 0.27 H new ATOM 0 HD2 HIS A 50 3.472 6.073 5.308 1.00 0.30 H new ATOM 0 HE1 HIS A 50 1.910 2.259 6.192 1.00 0.35 H new ATOM 0 HE2 HIS A 50 3.988 3.725 6.374 1.00 0.34 H new ATOM 744 N GLN A 51 -1.067 7.053 1.373 1.00 0.25 N ATOM 745 CA GLN A 51 -1.560 8.210 0.642 1.00 0.28 C ATOM 746 C GLN A 51 -2.782 7.840 -0.181 1.00 0.24 C ATOM 747 O GLN A 51 -2.833 6.779 -0.802 1.00 0.26 O ATOM 748 CB GLN A 51 -0.469 8.785 -0.265 1.00 0.38 C ATOM 749 CG GLN A 51 0.772 9.217 0.494 1.00 0.48 C ATOM 750 CD GLN A 51 0.499 10.349 1.468 1.00 0.55 C ATOM 751 OE1 GLN A 51 -0.379 11.180 1.244 1.00 0.83 O ATOM 752 NE2 GLN A 51 1.253 10.395 2.556 1.00 0.86 N ATOM 0 H GLN A 51 -0.751 6.283 0.784 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.844 8.972 1.368 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.191 8.037 -1.008 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.871 9.640 -0.809 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.175 8.363 1.039 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.537 9.531 -0.217 1.00 0.48 H new ATOM 0 HE21 GLN A 51 1.972 9.688 2.708 1.00 0.86 H new ATOM 0 HE22 GLN A 51 1.114 11.137 3.241 1.00 0.86 H new ATOM 761 N CYS A 52 -3.767 8.720 -0.171 1.00 0.23 N ATOM 762 CA CYS A 52 -4.999 8.496 -0.902 1.00 0.21 C ATOM 763 C CYS A 52 -4.727 8.488 -2.400 1.00 0.26 C ATOM 764 O CYS A 52 -4.183 9.445 -2.946 1.00 0.31 O ATOM 765 CB CYS A 52 -6.017 9.579 -0.555 1.00 0.22 C ATOM 766 SG CYS A 52 -7.609 9.425 -1.403 1.00 0.23 S ATOM 0 H CYS A 52 -3.736 9.602 0.340 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.407 7.526 -0.617 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.191 9.563 0.521 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.587 10.552 -0.793 1.00 0.22 H new ATOM 0 HG CYS A 52 -8.532 10.015 -0.704 1.00 0.23 H new ATOM 771 N ASP A 53 -5.116 7.405 -3.052 1.00 0.28 N ATOM 772 CA ASP A 53 -4.887 7.235 -4.482 1.00 0.35 C ATOM 773 C ASP A 53 -5.676 8.262 -5.294 1.00 0.36 C ATOM 774 O ASP A 53 -5.371 8.516 -6.460 1.00 0.42 O ATOM 775 CB ASP A 53 -5.268 5.811 -4.910 1.00 0.39 C ATOM 776 CG ASP A 53 -4.869 5.502 -6.338 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.751 5.484 -7.219 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.668 5.276 -6.587 1.00 0.64 O ATOM 0 H ASP A 53 -5.597 6.621 -2.610 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.827 7.395 -4.678 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.790 5.095 -4.241 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -6.345 5.679 -4.802 1.00 0.39 H new ATOM 783 N VAL A 54 -6.679 8.870 -4.668 1.00 0.33 N ATOM 784 CA VAL A 54 -7.520 9.838 -5.357 1.00 0.36 C ATOM 785 C VAL A 54 -6.987 11.264 -5.203 1.00 0.37 C ATOM 786 O VAL A 54 -6.714 11.935 -6.194 1.00 0.44 O ATOM 787 CB VAL A 54 -8.980 9.781 -4.863 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.838 10.793 -5.606 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.552 8.385 -5.031 1.00 0.33 C ATOM 0 H VAL A 54 -6.927 8.710 -3.692 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.496 9.567 -6.412 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.986 10.032 -3.802 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.864 10.737 -5.243 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.447 11.796 -5.435 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.818 10.573 -6.673 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.582 8.369 -4.676 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.527 8.106 -6.084 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.958 7.677 -4.453 1.00 0.33 H new ATOM 799 N CYS A 55 -6.829 11.731 -3.965 1.00 0.34 N ATOM 800 CA CYS A 55 -6.454 13.130 -3.749 1.00 0.36 C ATOM 801 C CYS A 55 -5.004 13.291 -3.293 1.00 0.35 C ATOM 802 O CYS A 55 -4.491 14.408 -3.241 1.00 0.41 O ATOM 803 CB CYS A 55 -7.397 13.802 -2.746 1.00 0.37 C ATOM 804 SG CYS A 55 -7.381 13.090 -1.081 1.00 0.32 S ATOM 0 H CYS A 55 -6.951 11.179 -3.116 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.546 13.624 -4.716 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -7.135 14.858 -2.675 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.413 13.751 -3.136 1.00 0.37 H new ATOM 0 HG CYS A 55 -7.462 11.795 -1.162 1.00 0.32 H new ATOM 809 N GLY A 56 -4.342 12.190 -2.964 1.00 0.33 N ATOM 810 CA GLY A 56 -2.955 12.264 -2.541 1.00 0.36 C ATOM 811 C GLY A 56 -2.789 12.732 -1.108 1.00 0.38 C ATOM 812 O GLY A 56 -1.672 12.975 -0.659 1.00 0.49 O ATOM 0 H GLY A 56 -4.737 11.250 -2.982 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.496 11.281 -2.650 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.416 12.943 -3.202 1.00 0.36 H new ATOM 816 N LYS A 57 -3.898 12.879 -0.391 1.00 0.35 N ATOM 817 CA LYS A 57 -3.843 13.267 1.012 1.00 0.39 C ATOM 818 C LYS A 57 -3.660 12.048 1.909 1.00 0.33 C ATOM 819 O LYS A 57 -3.518 10.924 1.422 1.00 0.33 O ATOM 820 CB LYS A 57 -5.114 14.004 1.429 1.00 0.48 C ATOM 821 CG LYS A 57 -5.348 15.308 0.692 1.00 0.65 C ATOM 822 CD LYS A 57 -6.613 15.981 1.191 1.00 0.78 C ATOM 823 CE LYS A 57 -6.875 17.293 0.477 1.00 1.16 C ATOM 824 NZ LYS A 57 -8.102 17.958 0.986 1.00 1.91 N ATOM 0 H LYS A 57 -4.840 12.736 -0.756 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.988 13.932 1.128 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.970 13.349 1.266 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -5.068 14.208 2.499 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -4.495 15.972 0.835 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.428 15.118 -0.378 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -7.462 15.313 1.045 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -6.530 16.161 2.263 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -6.020 17.956 0.608 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -6.976 17.112 -0.593 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -8.250 18.852 0.475 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -8.921 17.335 0.838 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -7.995 18.153 2.002 1.00 1.91 H new ATOM 838 N GLU A 58 -3.692 12.289 3.212 1.00 0.35 N ATOM 839 CA GLU A 58 -3.559 11.238 4.209 1.00 0.37 C ATOM 840 C GLU A 58 -4.631 10.166 4.023 1.00 0.30 C ATOM 841 O GLU A 58 -5.829 10.457 4.050 1.00 0.36 O ATOM 842 CB GLU A 58 -3.674 11.843 5.610 1.00 0.51 C ATOM 843 CG GLU A 58 -3.592 10.824 6.733 1.00 0.88 C ATOM 844 CD GLU A 58 -3.918 11.424 8.084 1.00 1.30 C ATOM 845 OE1 GLU A 58 -2.977 11.794 8.821 1.00 1.50 O ATOM 846 OE2 GLU A 58 -5.117 11.527 8.418 1.00 2.03 O ATOM 0 H GLU A 58 -3.811 13.221 3.608 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.582 10.770 4.087 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.881 12.579 5.743 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -4.621 12.377 5.687 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -4.281 10.005 6.527 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -2.589 10.398 6.760 1.00 0.88 H new ATOM 853 N ALA A 59 -4.195 8.935 3.819 1.00 0.26 N ATOM 854 CA ALA A 59 -5.113 7.818 3.694 1.00 0.21 C ATOM 855 C ALA A 59 -5.518 7.301 5.067 1.00 0.23 C ATOM 856 O ALA A 59 -4.712 7.281 6.000 1.00 0.30 O ATOM 857 CB ALA A 59 -4.486 6.700 2.886 1.00 0.22 C ATOM 0 H ALA A 59 -3.210 8.684 3.736 1.00 0.26 H new ATOM 0 HA ALA A 59 -6.004 8.170 3.174 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.190 5.872 2.804 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.238 7.066 1.890 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.578 6.357 3.383 1.00 0.22 H new ATOM 863 N ALA A 60 -6.771 6.893 5.184 1.00 0.20 N ATOM 864 CA ALA A 60 -7.284 6.349 6.427 1.00 0.23 C ATOM 865 C ALA A 60 -7.493 4.850 6.300 1.00 0.23 C ATOM 866 O ALA A 60 -7.236 4.094 7.233 1.00 0.30 O ATOM 867 CB ALA A 60 -8.587 7.030 6.806 1.00 0.27 C ATOM 0 H ALA A 60 -7.454 6.929 4.427 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.553 6.535 7.214 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -8.958 6.610 7.741 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.416 8.099 6.931 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.324 6.870 6.019 1.00 0.27 H new ATOM 873 N SER A 61 -7.960 4.430 5.136 1.00 0.21 N ATOM 874 CA SER A 61 -8.203 3.029 4.876 1.00 0.23 C ATOM 875 C SER A 61 -7.276 2.541 3.771 1.00 0.20 C ATOM 876 O SER A 61 -6.933 3.295 2.857 1.00 0.30 O ATOM 877 CB SER A 61 -9.667 2.825 4.497 1.00 0.30 C ATOM 878 OG SER A 61 -10.044 3.698 3.447 1.00 0.35 O ATOM 0 H SER A 61 -8.178 5.047 4.354 1.00 0.21 H new ATOM 0 HA SER A 61 -7.997 2.447 5.774 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.827 1.791 4.191 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.300 3.001 5.367 1.00 0.30 H new ATOM 0 HG SER A 61 -10.488 3.186 2.739 1.00 0.35 H new ATOM 884 N PHE A 62 -6.864 1.288 3.859 1.00 0.21 N ATOM 885 CA PHE A 62 -5.857 0.756 2.956 1.00 0.20 C ATOM 886 C PHE A 62 -6.384 -0.488 2.253 1.00 0.19 C ATOM 887 O PHE A 62 -6.915 -1.386 2.904 1.00 0.22 O ATOM 888 CB PHE A 62 -4.596 0.399 3.758 1.00 0.26 C ATOM 889 CG PHE A 62 -4.291 1.376 4.865 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.481 1.016 6.192 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.837 2.655 4.584 1.00 0.29 C ATOM 892 CE1 PHE A 62 -4.223 1.911 7.212 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.577 3.553 5.601 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.772 3.181 6.916 1.00 0.47 C ATOM 0 H PHE A 62 -7.211 0.620 4.547 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.617 1.509 2.205 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.717 -0.596 4.186 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.744 0.353 3.079 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.835 0.024 6.430 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.685 2.953 3.557 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -4.374 1.617 8.240 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -3.221 4.546 5.367 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.572 3.883 7.712 1.00 0.47 H new ATOM 904 N CYS A 63 -6.267 -0.536 0.926 1.00 0.18 N ATOM 905 CA CYS A 63 -6.601 -1.755 0.204 1.00 0.18 C ATOM 906 C CYS A 63 -5.567 -2.818 0.533 1.00 0.19 C ATOM 907 O CYS A 63 -4.377 -2.639 0.281 1.00 0.22 O ATOM 908 CB CYS A 63 -6.662 -1.538 -1.314 1.00 0.20 C ATOM 909 SG CYS A 63 -7.320 -2.971 -2.211 1.00 0.23 S ATOM 0 H CYS A 63 -5.950 0.239 0.343 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.594 -2.074 0.520 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.283 -0.668 -1.526 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.661 -1.313 -1.684 1.00 0.20 H new ATOM 0 HG CYS A 63 -7.631 -2.619 -3.423 1.00 0.23 H new ATOM 914 N GLU A 64 -6.026 -3.922 1.089 1.00 0.19 N ATOM 915 CA GLU A 64 -5.139 -4.991 1.513 1.00 0.23 C ATOM 916 C GLU A 64 -4.823 -5.915 0.346 1.00 0.25 C ATOM 917 O GLU A 64 -4.429 -7.065 0.537 1.00 0.29 O ATOM 918 CB GLU A 64 -5.773 -5.781 2.658 1.00 0.24 C ATOM 919 CG GLU A 64 -6.032 -4.947 3.909 1.00 0.24 C ATOM 920 CD GLU A 64 -6.651 -5.751 5.031 1.00 0.29 C ATOM 921 OE1 GLU A 64 -5.909 -6.470 5.734 1.00 0.42 O ATOM 922 OE2 GLU A 64 -7.885 -5.665 5.218 1.00 0.32 O ATOM 0 H GLU A 64 -7.015 -4.104 1.259 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.207 -4.549 1.866 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.716 -6.208 2.315 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.121 -6.615 2.917 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.092 -4.515 4.253 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.691 -4.116 3.657 1.00 0.24 H new ATOM 929 N MET A 65 -5.012 -5.412 -0.871 1.00 0.27 N ATOM 930 CA MET A 65 -4.692 -6.180 -2.068 1.00 0.32 C ATOM 931 C MET A 65 -3.862 -5.370 -3.066 1.00 0.35 C ATOM 932 O MET A 65 -3.418 -5.910 -4.080 1.00 0.44 O ATOM 933 CB MET A 65 -5.970 -6.680 -2.740 1.00 0.34 C ATOM 934 CG MET A 65 -6.785 -7.628 -1.873 1.00 0.36 C ATOM 935 SD MET A 65 -8.317 -8.152 -2.667 1.00 0.70 S ATOM 936 CE MET A 65 -8.951 -9.293 -1.440 1.00 1.54 C ATOM 0 H MET A 65 -5.384 -4.480 -1.053 1.00 0.27 H new ATOM 0 HA MET A 65 -4.091 -7.033 -1.751 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.589 -5.823 -3.007 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.708 -7.186 -3.669 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.184 -8.506 -1.637 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.019 -7.139 -0.928 1.00 0.36 H new ATOM 0 HE1 MET A 65 -9.900 -9.706 -1.783 1.00 1.54 H new ATOM 0 HE2 MET A 65 -8.236 -10.102 -1.291 1.00 1.54 H new ATOM 0 HE3 MET A 65 -9.104 -8.766 -0.498 1.00 1.54 H new ATOM 946 N CYS A 66 -3.635 -4.083 -2.786 1.00 0.32 N ATOM 947 CA CYS A 66 -2.846 -3.242 -3.682 1.00 0.34 C ATOM 948 C CYS A 66 -2.492 -1.924 -2.991 1.00 0.33 C ATOM 949 O CYS A 66 -3.090 -1.586 -1.970 1.00 0.32 O ATOM 950 CB CYS A 66 -3.627 -2.970 -4.971 1.00 0.35 C ATOM 951 SG CYS A 66 -4.925 -1.728 -4.798 1.00 0.32 S ATOM 0 H CYS A 66 -3.984 -3.607 -1.954 1.00 0.32 H new ATOM 0 HA CYS A 66 -1.923 -3.764 -3.934 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -2.930 -2.646 -5.744 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.075 -3.902 -5.316 1.00 0.35 H new ATOM 0 HG CYS A 66 -5.785 -2.121 -3.906 1.00 0.32 H new ATOM 956 N PRO A 67 -1.521 -1.155 -3.535 1.00 0.35 N ATOM 957 CA PRO A 67 -1.058 0.104 -2.927 1.00 0.37 C ATOM 958 C PRO A 67 -2.046 1.266 -3.094 1.00 0.37 C ATOM 959 O PRO A 67 -1.662 2.431 -2.995 1.00 0.46 O ATOM 960 CB PRO A 67 0.249 0.420 -3.683 1.00 0.41 C ATOM 961 CG PRO A 67 0.554 -0.799 -4.488 1.00 0.42 C ATOM 962 CD PRO A 67 -0.775 -1.442 -4.769 1.00 0.38 C ATOM 0 HA PRO A 67 -0.940 -0.010 -1.849 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.129 1.293 -4.324 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.059 0.644 -2.989 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.067 -0.539 -5.414 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.209 -1.476 -3.940 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.258 -1.013 -5.647 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.680 -2.513 -4.949 1.00 0.38 H new ATOM 970 N SER A 68 -3.307 0.957 -3.364 1.00 0.33 N ATOM 971 CA SER A 68 -4.328 1.985 -3.491 1.00 0.33 C ATOM 972 C SER A 68 -5.070 2.175 -2.170 1.00 0.27 C ATOM 973 O SER A 68 -6.037 1.470 -1.876 1.00 0.40 O ATOM 974 CB SER A 68 -5.314 1.624 -4.602 1.00 0.37 C ATOM 975 OG SER A 68 -4.632 1.353 -5.816 1.00 0.46 O ATOM 0 H SER A 68 -3.646 0.004 -3.499 1.00 0.33 H new ATOM 0 HA SER A 68 -3.837 2.923 -3.750 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.898 0.753 -4.306 1.00 0.37 H new ATOM 0 HB3 SER A 68 -6.017 2.444 -4.750 1.00 0.37 H new ATOM 0 HG SER A 68 -4.513 0.385 -5.915 1.00 0.46 H new ATOM 981 N SER A 69 -4.594 3.112 -1.370 1.00 0.21 N ATOM 982 CA SER A 69 -5.246 3.457 -0.119 1.00 0.17 C ATOM 983 C SER A 69 -6.089 4.717 -0.309 1.00 0.16 C ATOM 984 O SER A 69 -5.849 5.483 -1.243 1.00 0.18 O ATOM 985 CB SER A 69 -4.189 3.653 0.970 1.00 0.24 C ATOM 986 OG SER A 69 -3.108 4.438 0.495 1.00 0.38 O ATOM 0 H SER A 69 -3.751 3.652 -1.567 1.00 0.21 H new ATOM 0 HA SER A 69 -5.910 2.650 0.190 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.640 4.136 1.837 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.820 2.683 1.302 1.00 0.24 H new ATOM 0 HG SER A 69 -3.456 5.246 0.064 1.00 0.38 H new ATOM 992 N PHE A 70 -7.073 4.940 0.556 1.00 0.15 N ATOM 993 CA PHE A 70 -7.990 6.058 0.369 1.00 0.15 C ATOM 994 C PHE A 70 -8.154 6.850 1.659 1.00 0.16 C ATOM 995 O PHE A 70 -8.021 6.309 2.757 1.00 0.18 O ATOM 996 CB PHE A 70 -9.357 5.556 -0.104 1.00 0.16 C ATOM 997 CG PHE A 70 -9.311 4.757 -1.378 1.00 0.18 C ATOM 998 CD1 PHE A 70 -9.123 5.385 -2.598 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.454 3.378 -1.352 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -9.078 4.653 -3.770 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.412 2.642 -2.521 1.00 0.24 C ATOM 1002 CZ PHE A 70 -9.229 3.280 -3.731 1.00 0.25 C ATOM 0 H PHE A 70 -7.255 4.370 1.382 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.566 6.714 -0.392 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.798 4.942 0.681 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -10.016 6.412 -0.248 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -9.010 6.458 -2.634 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.600 2.874 -0.408 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.925 5.154 -4.715 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.522 1.568 -2.488 1.00 0.24 H new ATOM 0 HZ PHE A 70 -9.204 2.707 -4.646 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.432 8.140 1.517 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.681 8.997 2.666 1.00 0.22 C ATOM 1014 C CYS A 71 -10.091 8.757 3.195 1.00 0.23 C ATOM 1015 O CYS A 71 -10.863 8.031 2.566 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.497 10.471 2.286 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.745 11.098 1.136 1.00 0.26 S ATOM 0 H CYS A 71 -8.490 8.615 0.616 1.00 0.18 H new ATOM 0 HA CYS A 71 -7.963 8.753 3.449 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.519 11.075 3.193 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.510 10.600 1.841 1.00 0.26 H new ATOM 0 HG CYS A 71 -9.172 11.844 0.238 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.436 9.362 4.325 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.755 9.157 4.923 1.00 0.33 C ATOM 1024 C LYS A 72 -12.881 9.498 3.946 1.00 0.34 C ATOM 1025 O LYS A 72 -13.947 8.882 3.969 1.00 0.38 O ATOM 1026 CB LYS A 72 -11.906 9.983 6.199 1.00 0.40 C ATOM 1027 CG LYS A 72 -11.048 9.481 7.346 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.360 10.207 8.642 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.513 9.679 9.787 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.810 10.372 11.068 1.00 1.23 N ATOM 0 H LYS A 72 -9.828 9.995 4.845 1.00 0.29 H new ATOM 0 HA LYS A 72 -11.833 8.099 5.172 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.644 11.019 5.985 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -12.952 9.975 6.507 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.210 8.411 7.480 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -9.995 9.615 7.098 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -11.180 11.275 8.516 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.416 10.088 8.883 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -10.689 8.610 9.904 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -9.458 9.804 9.544 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -10.210 9.981 11.822 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -10.618 11.389 10.965 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -11.811 10.232 11.314 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.626 10.455 3.069 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.637 10.908 2.129 1.00 0.36 C ATOM 1046 C GLN A 73 -13.727 9.983 0.921 1.00 0.31 C ATOM 1047 O GLN A 73 -14.820 9.589 0.514 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.336 12.334 1.674 1.00 0.41 C ATOM 1049 CG GLN A 73 -13.253 13.330 2.822 1.00 1.17 C ATOM 1050 CD GLN A 73 -14.538 13.429 3.630 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -14.502 13.686 4.834 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -15.683 13.227 2.986 1.00 2.20 N ATOM 0 H GLN A 73 -11.728 10.933 2.989 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.599 10.890 2.641 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -12.393 12.342 1.127 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -14.111 12.657 0.978 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -12.437 13.042 3.485 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -13.007 14.314 2.423 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -15.677 13.016 1.988 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -16.568 13.283 3.490 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.580 9.608 0.371 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.550 8.864 -0.889 1.00 0.21 C ATOM 1063 C HIS A 74 -12.546 7.360 -0.674 1.00 0.19 C ATOM 1064 O HIS A 74 -12.252 6.603 -1.593 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.337 9.264 -1.736 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.410 10.668 -2.234 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.300 11.466 -2.321 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.492 11.368 -2.633 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.734 12.637 -2.758 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -12.058 12.621 -2.963 1.00 0.34 N ATOM 0 H HIS A 74 -11.662 9.803 0.771 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.465 9.125 -1.421 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.431 9.142 -1.143 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.255 8.587 -2.586 1.00 0.22 H new ATOM 0 HD1 HIS A 74 -9.339 11.211 -2.096 1.00 0.28 H new ATOM 0 HD2 HIS A 74 -13.509 11.007 -2.682 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -10.102 13.496 -2.928 1.00 0.33 H new ATOM 1078 N ARG A 75 -12.859 6.923 0.533 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.965 5.497 0.797 1.00 0.20 C ATOM 1080 C ARG A 75 -14.399 5.020 0.627 1.00 0.23 C ATOM 1081 O ARG A 75 -14.646 3.826 0.445 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.442 5.151 2.191 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.204 5.801 3.328 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.523 5.529 4.660 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.226 6.150 5.781 1.00 0.53 N ATOM 1086 CZ ARG A 75 -12.951 5.902 7.058 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.017 5.012 7.373 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -13.615 6.532 8.018 1.00 0.92 N ATOM 0 H ARG A 75 -13.042 7.524 1.336 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.343 4.978 0.068 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.476 4.069 2.320 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.395 5.447 2.256 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.269 6.876 3.160 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.225 5.420 3.352 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.465 4.453 4.822 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.499 5.902 4.625 1.00 0.39 H new ATOM 0 HE ARG A 75 -13.972 6.813 5.571 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.512 4.520 6.636 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -11.805 4.820 8.352 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.339 7.209 7.778 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -13.402 6.339 8.997 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.343 5.960 0.655 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.750 5.619 0.513 1.00 0.34 C ATOM 1104 C GLU A 76 -17.025 5.041 -0.864 1.00 0.32 C ATOM 1105 O GLU A 76 -16.732 5.676 -1.878 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.643 6.839 0.734 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.718 7.301 2.177 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.917 8.184 2.432 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -20.023 7.648 2.665 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -18.757 9.421 2.405 1.00 1.65 O ATOM 0 H GLU A 76 -15.157 6.956 0.774 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.981 4.873 1.273 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.275 7.661 0.120 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.649 6.607 0.386 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.763 6.432 2.833 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.808 7.845 2.430 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.576 3.835 -0.894 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.920 3.199 -2.152 1.00 0.42 C ATOM 1119 C GLY A 77 -16.708 2.802 -2.979 1.00 0.40 C ATOM 1120 O GLY A 77 -16.854 2.255 -4.071 1.00 0.58 O ATOM 0 H GLY A 77 -17.792 3.282 -0.064 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.519 2.311 -1.950 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.542 3.878 -2.735 1.00 0.42 H new ATOM 1124 N MET A 78 -15.514 3.078 -2.471 1.00 0.29 N ATOM 1125 CA MET A 78 -14.288 2.751 -3.192 1.00 0.27 C ATOM 1126 C MET A 78 -13.590 1.555 -2.556 1.00 0.24 C ATOM 1127 O MET A 78 -12.958 0.754 -3.247 1.00 0.28 O ATOM 1128 CB MET A 78 -13.331 3.949 -3.226 1.00 0.29 C ATOM 1129 CG MET A 78 -13.889 5.172 -3.950 1.00 0.35 C ATOM 1130 SD MET A 78 -14.275 4.839 -5.679 1.00 0.58 S ATOM 1131 CE MET A 78 -14.772 6.471 -6.227 1.00 1.51 C ATOM 0 H MET A 78 -15.367 3.526 -1.566 1.00 0.29 H new ATOM 0 HA MET A 78 -14.566 2.498 -4.215 1.00 0.27 H new ATOM 0 HB2 MET A 78 -13.080 4.229 -2.203 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.403 3.645 -3.710 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.790 5.512 -3.440 1.00 0.35 H new ATOM 0 HG3 MET A 78 -13.165 5.985 -3.893 1.00 0.35 H new ATOM 0 HE1 MET A 78 -15.043 6.434 -7.282 1.00 1.51 H new ATOM 0 HE2 MET A 78 -15.630 6.805 -5.643 1.00 1.51 H new ATOM 0 HE3 MET A 78 -13.946 7.168 -6.089 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.697 1.440 -1.238 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.100 0.326 -0.527 1.00 0.22 C ATOM 1143 C LEU A 79 -14.189 -0.459 0.197 1.00 0.25 C ATOM 1144 O LEU A 79 -15.135 0.126 0.725 1.00 0.32 O ATOM 1145 CB LEU A 79 -12.065 0.854 0.473 1.00 0.24 C ATOM 1146 CG LEU A 79 -11.022 -0.157 0.953 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.155 -0.630 -0.201 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.158 0.461 2.036 1.00 0.27 C ATOM 0 H LEU A 79 -14.192 2.106 -0.644 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.600 -0.337 -1.233 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.544 1.695 0.016 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.594 1.241 1.343 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.545 -1.021 1.363 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.421 -1.348 0.166 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.782 -1.105 -0.956 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.639 0.223 -0.642 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.419 -0.267 2.371 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.649 1.339 1.638 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.785 0.755 2.878 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.062 -1.776 0.210 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.041 -2.637 0.858 1.00 0.31 C ATOM 1162 C PHE A 80 -14.366 -3.888 1.403 1.00 0.31 C ATOM 1163 O PHE A 80 -13.223 -4.182 1.062 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.162 -3.010 -0.128 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.677 -3.609 -1.425 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.516 -2.819 -2.555 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.378 -4.962 -1.514 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.071 -3.365 -3.741 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -14.932 -5.510 -2.701 1.00 0.46 C ATOM 1170 CZ PHE A 80 -14.788 -4.713 -3.817 1.00 0.45 C ATOM 0 H PHE A 80 -13.286 -2.276 -0.224 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.485 -2.095 1.693 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -16.834 -3.718 0.356 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.746 -2.117 -0.350 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.742 -1.764 -2.505 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -15.495 -5.593 -0.645 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -14.944 -2.737 -4.610 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -14.696 -6.563 -2.755 1.00 0.46 H new ATOM 0 HZ PHE A 80 -14.454 -5.144 -4.749 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.069 -4.613 2.257 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.540 -5.837 2.839 1.00 0.38 C ATOM 1182 C ILE A 81 -14.729 -7.014 1.885 1.00 0.42 C ATOM 1183 O ILE A 81 -15.831 -7.256 1.389 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.213 -6.148 4.192 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.818 -5.106 5.243 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -14.845 -7.540 4.671 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.356 -5.152 5.631 1.00 0.44 C ATOM 0 H ILE A 81 -16.012 -4.374 2.564 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.474 -5.686 3.010 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.293 -6.107 4.048 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -15.052 -4.112 4.861 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.426 -5.256 6.135 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.331 -7.736 5.627 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.175 -8.276 3.938 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -13.764 -7.609 4.793 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -13.154 -4.385 6.379 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -13.120 -6.133 6.044 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.740 -4.971 4.750 1.00 0.44 H new ATOM 1199 N SER A 82 -13.641 -7.731 1.631 1.00 0.41 N ATOM 1200 CA SER A 82 -13.659 -8.895 0.760 1.00 0.47 C ATOM 1201 C SER A 82 -14.486 -10.015 1.374 1.00 0.54 C ATOM 1202 O SER A 82 -14.393 -10.293 2.569 1.00 0.61 O ATOM 1203 CB SER A 82 -12.230 -9.384 0.507 1.00 0.57 C ATOM 1204 OG SER A 82 -12.213 -10.559 -0.285 1.00 0.79 O ATOM 0 H SER A 82 -12.723 -7.520 2.024 1.00 0.41 H new ATOM 0 HA SER A 82 -14.114 -8.607 -0.188 1.00 0.47 H new ATOM 0 HB2 SER A 82 -11.660 -8.600 0.008 1.00 0.57 H new ATOM 0 HB3 SER A 82 -11.738 -9.580 1.460 1.00 0.57 H new ATOM 0 HG SER A 82 -11.286 -10.843 -0.429 1.00 0.79 H new ATOM 1210 N LYS A 83 -15.288 -10.653 0.540 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.128 -11.758 0.967 1.00 0.80 C ATOM 1212 C LYS A 83 -15.291 -13.004 1.217 1.00 0.81 C ATOM 1213 O LYS A 83 -15.677 -13.878 1.990 1.00 0.91 O ATOM 1214 CB LYS A 83 -17.184 -12.046 -0.095 1.00 0.98 C ATOM 1215 CG LYS A 83 -18.106 -10.871 -0.357 1.00 1.06 C ATOM 1216 CD LYS A 83 -18.986 -11.108 -1.571 1.00 1.34 C ATOM 1217 CE LYS A 83 -19.934 -9.944 -1.798 1.00 2.08 C ATOM 1218 NZ LYS A 83 -20.718 -10.103 -3.048 1.00 2.62 N ATOM 0 H LYS A 83 -15.375 -10.421 -0.449 1.00 0.65 H new ATOM 0 HA LYS A 83 -16.620 -11.480 1.899 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -16.688 -12.324 -1.025 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -17.779 -12.904 0.218 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -18.732 -10.698 0.518 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -17.513 -9.969 -0.508 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -18.362 -11.250 -2.453 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -19.559 -12.025 -1.435 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -20.615 -9.860 -0.951 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -19.365 -9.016 -1.842 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -21.353 -9.288 -3.166 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -20.070 -10.157 -3.860 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -21.281 -10.976 -2.996 1.00 2.62 H new ATOM 1232 N LEU A 84 -14.144 -13.076 0.555 1.00 0.76 N ATOM 1233 CA LEU A 84 -13.279 -14.241 0.648 1.00 0.81 C ATOM 1234 C LEU A 84 -12.338 -14.147 1.843 1.00 0.76 C ATOM 1235 O LEU A 84 -12.332 -15.022 2.709 1.00 0.81 O ATOM 1236 CB LEU A 84 -12.463 -14.389 -0.636 1.00 0.90 C ATOM 1237 CG LEU A 84 -13.274 -14.632 -1.910 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -12.353 -14.678 -3.119 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -14.073 -15.925 -1.805 1.00 1.25 C ATOM 0 H LEU A 84 -13.791 -12.338 -0.054 1.00 0.76 H new ATOM 0 HA LEU A 84 -13.914 -15.116 0.785 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -11.867 -13.487 -0.773 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -11.764 -15.216 -0.508 1.00 0.90 H new ATOM 0 HG LEU A 84 -13.975 -13.806 -2.032 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -12.943 -14.852 -4.019 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -11.823 -13.730 -3.209 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -11.632 -15.486 -2.996 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -14.642 -16.077 -2.722 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -13.392 -16.763 -1.658 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -14.758 -15.862 -0.960 1.00 1.25 H new ATOM 1251 N ASP A 85 -11.559 -13.073 1.895 1.00 0.72 N ATOM 1252 CA ASP A 85 -10.500 -12.947 2.896 1.00 0.75 C ATOM 1253 C ASP A 85 -10.886 -12.011 4.029 1.00 0.66 C ATOM 1254 O ASP A 85 -10.178 -11.919 5.030 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.197 -12.454 2.254 1.00 0.85 C ATOM 1256 CG ASP A 85 -8.544 -13.501 1.379 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -7.593 -14.164 1.841 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -8.983 -13.670 0.222 1.00 1.42 O ATOM 0 H ASP A 85 -11.638 -12.279 1.260 1.00 0.72 H new ATOM 0 HA ASP A 85 -10.350 -13.942 3.314 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -9.404 -11.566 1.657 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -8.501 -12.156 3.038 1.00 0.85 H new ATOM 1263 N GLY A 86 -11.996 -11.307 3.872 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.418 -10.349 4.882 1.00 0.56 C ATOM 1265 C GLY A 86 -11.536 -9.116 4.911 1.00 0.48 C ATOM 1266 O GLY A 86 -11.690 -8.246 5.766 1.00 0.50 O ATOM 0 H GLY A 86 -12.615 -11.379 3.065 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.449 -10.051 4.689 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.403 -10.827 5.862 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.613 -9.050 3.967 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.680 -7.942 3.863 1.00 0.39 C ATOM 1272 C ARG A 87 -10.264 -6.830 3.008 1.00 0.33 C ATOM 1273 O ARG A 87 -11.106 -7.077 2.149 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.370 -8.428 3.249 1.00 0.46 C ATOM 1275 CG ARG A 87 -7.584 -9.361 4.152 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.285 -9.790 3.498 1.00 0.96 C ATOM 1277 NE ARG A 87 -5.445 -10.574 4.401 1.00 1.25 N ATOM 1278 CZ ARG A 87 -4.554 -11.476 3.992 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -4.424 -11.749 2.699 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -3.798 -12.112 4.878 1.00 2.10 N ATOM 0 H ARG A 87 -10.489 -9.765 3.250 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.491 -7.551 4.863 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -8.586 -8.940 2.311 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -7.751 -7.565 3.005 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.371 -8.863 5.098 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.186 -10.240 4.383 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -6.506 -10.378 2.607 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -5.737 -8.907 3.169 1.00 0.96 H new ATOM 0 HE ARG A 87 -5.547 -10.421 5.404 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -5.007 -11.267 2.015 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -3.741 -12.440 2.390 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -3.899 -11.910 5.873 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -3.116 -12.803 4.564 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.819 -5.611 3.254 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.280 -4.459 2.494 1.00 0.26 C ATOM 1296 C LEU A 88 -9.811 -4.545 1.046 1.00 0.24 C ATOM 1297 O LEU A 88 -8.618 -4.678 0.776 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.768 -3.167 3.126 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.382 -2.810 4.477 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.516 -1.792 5.199 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.788 -2.259 4.292 1.00 0.44 C ATOM 0 H LEU A 88 -9.135 -5.391 3.978 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.370 -4.457 2.509 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.687 -3.245 3.246 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -9.953 -2.346 2.434 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.437 -3.716 5.080 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -9.967 -1.547 6.161 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.522 -2.209 5.360 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -9.437 -0.888 4.595 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -12.212 -2.009 5.265 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.749 -1.363 3.672 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.412 -3.009 3.806 1.00 0.44 H new ATOM 1313 N SER A 89 -10.753 -4.472 0.125 1.00 0.22 N ATOM 1314 CA SER A 89 -10.453 -4.557 -1.292 1.00 0.23 C ATOM 1315 C SER A 89 -11.097 -3.387 -2.031 1.00 0.21 C ATOM 1316 O SER A 89 -12.243 -3.027 -1.757 1.00 0.22 O ATOM 1317 CB SER A 89 -10.952 -5.890 -1.857 1.00 0.28 C ATOM 1318 OG SER A 89 -10.530 -6.077 -3.198 1.00 0.55 O ATOM 0 H SER A 89 -11.744 -4.353 0.336 1.00 0.22 H new ATOM 0 HA SER A 89 -9.373 -4.506 -1.432 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.582 -6.709 -1.240 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.040 -5.922 -1.809 1.00 0.28 H new ATOM 0 HG SER A 89 -9.856 -6.787 -3.233 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.340 -2.774 -2.929 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.820 -1.621 -3.678 1.00 0.24 C ATOM 1326 C CYS A 90 -11.633 -2.067 -4.894 1.00 0.27 C ATOM 1327 O CYS A 90 -11.560 -3.223 -5.318 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.638 -0.750 -4.128 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.616 -1.502 -5.414 1.00 0.28 S ATOM 0 H CYS A 90 -9.387 -3.057 -3.158 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.466 -1.034 -3.025 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -10.021 0.203 -4.494 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -9.012 -0.531 -3.263 1.00 0.25 H new ATOM 0 HG CYS A 90 -7.372 -1.497 -5.038 1.00 0.28 H new ATOM 1334 N THR A 91 -12.390 -1.130 -5.460 1.00 0.30 N ATOM 1335 CA THR A 91 -13.246 -1.401 -6.610 1.00 0.36 C ATOM 1336 C THR A 91 -12.438 -1.573 -7.892 1.00 0.43 C ATOM 1337 O THR A 91 -12.995 -1.855 -8.954 1.00 0.54 O ATOM 1338 CB THR A 91 -14.255 -0.259 -6.815 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.565 1.000 -6.825 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.315 -0.269 -5.724 1.00 0.38 C ATOM 0 H THR A 91 -12.427 -0.164 -5.135 1.00 0.30 H new ATOM 0 HA THR A 91 -13.771 -2.332 -6.398 1.00 0.36 H new ATOM 0 HB THR A 91 -14.755 -0.404 -7.773 1.00 0.39 H new ATOM 0 HG1 THR A 91 -12.974 1.043 -7.605 1.00 0.43 H new ATOM 0 HG21 THR A 91 -16.017 0.548 -5.891 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.851 -1.218 -5.746 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.838 -0.144 -4.752 1.00 0.38 H new ATOM 1348 N GLU A 92 -11.128 -1.404 -7.795 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.258 -1.495 -8.956 1.00 0.52 C ATOM 1350 C GLU A 92 -9.785 -2.928 -9.157 1.00 0.51 C ATOM 1351 O GLU A 92 -8.812 -3.182 -9.865 1.00 0.63 O ATOM 1352 CB GLU A 92 -9.057 -0.565 -8.797 1.00 0.56 C ATOM 1353 CG GLU A 92 -9.437 0.880 -8.504 1.00 0.66 C ATOM 1354 CD GLU A 92 -10.413 1.442 -9.515 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -11.615 1.557 -9.187 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -9.991 1.770 -10.641 1.00 1.54 O ATOM 0 H GLU A 92 -10.643 -1.202 -6.920 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.826 -1.188 -9.834 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.425 -0.936 -7.990 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.461 -0.597 -9.709 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.876 0.942 -7.508 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -8.536 1.494 -8.494 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.469 -3.858 -8.511 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.153 -5.271 -8.645 1.00 0.53 C ATOM 1365 C HIS A 93 -11.337 -6.004 -9.255 1.00 0.67 C ATOM 1366 O HIS A 93 -11.818 -7.006 -8.722 1.00 0.85 O ATOM 1367 CB HIS A 93 -9.782 -5.879 -7.286 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.553 -5.278 -6.672 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.603 -4.583 -7.381 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.135 -5.276 -5.384 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.658 -4.181 -6.523 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -6.930 -4.577 -5.290 1.00 0.32 N ATOM 0 H HIS A 93 -11.250 -3.659 -7.886 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.291 -5.378 -9.304 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.620 -5.752 -6.600 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -9.630 -6.951 -7.407 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -7.616 -4.405 -8.385 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.653 -5.742 -4.559 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -5.786 -3.608 -6.801 1.00 0.36 H new ATOM 1380 N ASP A 94 -11.813 -5.474 -10.367 1.00 0.83 N ATOM 1381 CA ASP A 94 -12.939 -6.052 -11.080 1.00 1.02 C ATOM 1382 C ASP A 94 -12.534 -6.362 -12.512 1.00 1.33 C ATOM 1383 O ASP A 94 -12.187 -7.524 -12.795 1.00 1.92 O ATOM 1384 CB ASP A 94 -14.127 -5.089 -11.054 1.00 1.54 C ATOM 1385 CG ASP A 94 -15.377 -5.674 -11.686 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -15.941 -6.637 -11.124 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -15.787 -5.190 -12.762 1.00 2.65 O ATOM 1388 OXT ASP A 94 -12.515 -5.429 -13.344 1.00 1.91 O ATOM 0 H ASP A 94 -11.432 -4.633 -10.801 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.237 -6.979 -10.591 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -14.343 -4.814 -10.021 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -13.856 -4.172 -11.578 1.00 1.54 H new