USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 636 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 78 SER OG : rot -81:sc= 0.00108 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= -0.0593 USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 30 CYS SG : rot 144:sc= 1.36 USER MOD Set 3.2: A 62 CYS SG : rot 116:sc= -1.59 USER MOD Single : A 9 SER OG : rot 39:sc= 0.0372 USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0836) USER MOD Single : A 17 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.68) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 150:sc= -0.404 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 120:sc= -0.407 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= -0.0126 (180deg=-0.723) USER MOD Single : A 44 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.34) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc=-0.00442 X(o=-0.0044,f=-0.3) USER MOD Single : A 57 GLN : amide:sc= -2.31! C(o=-2.3!,f=-10!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -33:sc= -0.535 USER MOD Single : A 79 CYS SG : rot 108:sc= 1 USER MOD Single : A 81 CYS SG : rot 70:sc= -7.04! USER MOD Single : A 83 GLN : amide:sc=-0.00847 K(o=-0.0085,f=-1.2) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 9 -1.923 20.342 -0.572 1.00 0.00 N ATOM 81 CA SER A 9 -1.421 19.266 0.274 1.00 0.00 C ATOM 82 C SER A 9 -0.665 18.232 -0.553 1.00 0.00 C ATOM 83 O SER A 9 -0.928 17.032 -0.461 1.00 0.00 O ATOM 84 CB SER A 9 -2.577 18.594 1.020 1.00 0.00 C ATOM 85 OG SER A 9 -3.241 19.515 1.867 1.00 0.00 O ATOM 0 HA SER A 9 -0.732 19.699 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.285 18.179 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.197 17.760 1.611 1.00 0.00 H new ATOM 0 HG SER A 9 -3.307 20.383 1.418 1.00 0.00 H new ATOM 91 N LYS A 10 0.277 18.704 -1.362 1.00 0.00 N ATOM 92 CA LYS A 10 1.074 17.823 -2.207 1.00 0.00 C ATOM 93 C LYS A 10 1.707 16.707 -1.382 1.00 0.00 C ATOM 94 O LYS A 10 1.753 16.778 -0.154 1.00 0.00 O ATOM 95 CB LYS A 10 2.164 18.621 -2.927 1.00 0.00 C ATOM 96 CG LYS A 10 2.938 19.555 -2.013 1.00 0.00 C ATOM 97 CD LYS A 10 3.365 20.819 -2.740 1.00 0.00 C ATOM 98 CE LYS A 10 3.647 21.954 -1.768 1.00 0.00 C ATOM 99 NZ LYS A 10 4.888 21.713 -0.980 1.00 0.00 N ATOM 0 H LYS A 10 0.508 19.694 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 10 0.413 17.374 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.860 17.927 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.707 19.204 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.321 19.819 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.818 19.041 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.257 20.615 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.583 21.121 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.743 22.889 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.802 22.069 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.974 22.436 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.844 20.771 -0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.714 21.763 -1.610 1.00 0.00 H new ATOM 113 N PHE A 11 2.196 15.677 -2.066 1.00 0.00 N ATOM 114 CA PHE A 11 2.827 14.545 -1.396 1.00 0.00 C ATOM 115 C PHE A 11 4.346 14.691 -1.399 1.00 0.00 C ATOM 116 O PHE A 11 4.946 15.033 -2.418 1.00 0.00 O ATOM 117 CB PHE A 11 2.428 13.235 -2.078 1.00 0.00 C ATOM 118 CG PHE A 11 0.958 12.940 -1.995 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.044 13.700 -2.708 1.00 0.00 C ATOM 120 CD2 PHE A 11 0.489 11.903 -1.206 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.309 13.432 -2.633 1.00 0.00 C ATOM 122 CE2 PHE A 11 -0.864 11.629 -1.127 1.00 0.00 C ATOM 123 CZ PHE A 11 -1.764 12.394 -1.843 1.00 0.00 C ATOM 0 H PHE A 11 2.167 15.603 -3.083 1.00 0.00 H new ATOM 0 HA PHE A 11 2.483 14.528 -0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.724 13.276 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.982 12.414 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.394 14.511 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.189 11.301 -0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.011 14.034 -3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.216 10.818 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.821 12.181 -1.785 1.00 0.00 H new ATOM 133 N ILE A 12 4.961 14.428 -0.250 1.00 0.00 N ATOM 134 CA ILE A 12 6.409 14.529 -0.120 1.00 0.00 C ATOM 135 C ILE A 12 7.078 13.178 -0.353 1.00 0.00 C ATOM 136 O ILE A 12 7.920 13.037 -1.238 1.00 0.00 O ATOM 137 CB ILE A 12 6.814 15.056 1.270 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.729 15.982 1.824 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.149 15.783 1.193 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.396 17.139 0.908 1.00 0.00 C ATOM 0 H ILE A 12 4.479 14.144 0.603 1.00 0.00 H new ATOM 0 HA ILE A 12 6.745 15.234 -0.880 1.00 0.00 H new ATOM 0 HB ILE A 12 6.923 14.208 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.825 15.401 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.055 16.374 2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.421 16.149 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.917 15.097 0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.066 16.624 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.620 17.753 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.288 17.744 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.040 16.755 -0.048 1.00 0.00 H new ATOM 152 N GLU A 13 6.694 12.188 0.447 1.00 0.00 N ATOM 153 CA GLU A 13 7.256 10.848 0.327 1.00 0.00 C ATOM 154 C GLU A 13 6.575 10.071 -0.796 1.00 0.00 C ATOM 155 O GLU A 13 7.230 9.380 -1.574 1.00 0.00 O ATOM 156 CB GLU A 13 7.112 10.090 1.647 1.00 0.00 C ATOM 157 CG GLU A 13 8.289 10.279 2.590 1.00 0.00 C ATOM 158 CD GLU A 13 9.626 10.158 1.885 1.00 0.00 C ATOM 159 OE1 GLU A 13 10.101 9.016 1.707 1.00 0.00 O ATOM 160 OE2 GLU A 13 10.197 11.203 1.512 1.00 0.00 O ATOM 0 H GLU A 13 5.997 12.289 1.184 1.00 0.00 H new ATOM 0 HA GLU A 13 8.315 10.946 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.201 10.418 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.994 9.027 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.218 11.259 3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.234 9.537 3.387 1.00 0.00 H new ATOM 167 N GLY A 14 5.252 10.191 -0.872 1.00 0.00 N ATOM 168 CA GLY A 14 4.503 9.494 -1.902 1.00 0.00 C ATOM 169 C GLY A 14 4.540 7.989 -1.728 1.00 0.00 C ATOM 170 O GLY A 14 5.521 7.439 -1.225 1.00 0.00 O ATOM 0 H GLY A 14 4.687 10.758 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.467 9.833 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.908 9.754 -2.880 1.00 0.00 H new ATOM 174 N LEU A 15 3.470 7.321 -2.142 1.00 0.00 N ATOM 175 CA LEU A 15 3.383 5.869 -2.028 1.00 0.00 C ATOM 176 C LEU A 15 4.363 5.188 -2.979 1.00 0.00 C ATOM 177 O LEU A 15 4.588 5.658 -4.094 1.00 0.00 O ATOM 178 CB LEU A 15 1.958 5.399 -2.324 1.00 0.00 C ATOM 179 CG LEU A 15 0.860 5.984 -1.435 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.504 5.805 -2.084 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.886 5.336 -0.059 1.00 0.00 C ATOM 0 H LEU A 15 2.650 7.761 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 15 3.645 5.593 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.725 5.641 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.929 4.313 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 15 1.046 7.051 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.273 6.227 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.519 6.316 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.699 4.743 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.098 5.765 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.725 4.263 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.854 5.516 0.410 1.00 0.00 H new ATOM 193 N ARG A 16 4.940 4.079 -2.530 1.00 0.00 N ATOM 194 CA ARG A 16 5.895 3.333 -3.341 1.00 0.00 C ATOM 195 C ARG A 16 5.410 1.906 -3.577 1.00 0.00 C ATOM 196 O ARG A 16 4.537 1.411 -2.865 1.00 0.00 O ATOM 197 CB ARG A 16 7.266 3.311 -2.663 1.00 0.00 C ATOM 198 CG ARG A 16 8.152 4.487 -3.041 1.00 0.00 C ATOM 199 CD ARG A 16 9.253 4.708 -2.017 1.00 0.00 C ATOM 200 NE ARG A 16 9.898 6.008 -2.177 1.00 0.00 N ATOM 201 CZ ARG A 16 10.881 6.239 -3.041 1.00 0.00 C ATOM 202 NH1 ARG A 16 11.329 5.263 -3.818 1.00 0.00 N ATOM 203 NH2 ARG A 16 11.417 7.450 -3.129 1.00 0.00 N ATOM 0 H ARG A 16 4.763 3.677 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 16 5.982 3.833 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.127 3.305 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.776 2.384 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.595 4.309 -4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.545 5.389 -3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.835 4.632 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.999 3.919 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 16 9.577 6.781 -1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.919 4.331 -3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.084 5.444 -4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.074 8.204 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.171 7.627 -3.792 1.00 0.00 H new ATOM 217 N ASN A 17 5.982 1.250 -4.582 1.00 0.00 N ATOM 218 CA ASN A 17 5.607 -0.120 -4.912 1.00 0.00 C ATOM 219 C ASN A 17 5.734 -1.028 -3.693 1.00 0.00 C ATOM 220 O ASN A 17 6.839 -1.350 -3.259 1.00 0.00 O ATOM 221 CB ASN A 17 6.482 -0.650 -6.050 1.00 0.00 C ATOM 222 CG ASN A 17 7.938 -0.253 -5.893 1.00 0.00 C ATOM 223 OD1 ASN A 17 8.393 0.725 -6.484 1.00 0.00 O ATOM 224 ND2 ASN A 17 8.675 -1.014 -5.092 1.00 0.00 N ATOM 0 H ASN A 17 6.707 1.645 -5.181 1.00 0.00 H new ATOM 0 HA ASN A 17 4.566 -0.118 -5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.406 -1.737 -6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.106 -0.272 -7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.661 -0.796 -4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.255 -1.816 -4.622 1.00 0.00 H new ATOM 231 N GLU A 18 4.593 -1.438 -3.146 1.00 0.00 N ATOM 232 CA GLU A 18 4.578 -2.308 -1.976 1.00 0.00 C ATOM 233 C GLU A 18 4.235 -3.742 -2.370 1.00 0.00 C ATOM 234 O GLU A 18 3.170 -4.006 -2.927 1.00 0.00 O ATOM 235 CB GLU A 18 3.570 -1.796 -0.945 1.00 0.00 C ATOM 236 CG GLU A 18 3.346 -2.753 0.214 1.00 0.00 C ATOM 237 CD GLU A 18 4.644 -3.253 0.817 1.00 0.00 C ATOM 238 OE1 GLU A 18 5.273 -2.496 1.585 1.00 0.00 O ATOM 239 OE2 GLU A 18 5.031 -4.402 0.519 1.00 0.00 O ATOM 0 H GLU A 18 3.669 -1.182 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 18 5.575 -2.299 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.917 -0.840 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.618 -1.611 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.760 -2.253 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.758 -3.604 -0.131 1.00 0.00 H new ATOM 246 N GLU A 19 5.147 -4.664 -2.077 1.00 0.00 N ATOM 247 CA GLU A 19 4.942 -6.071 -2.402 1.00 0.00 C ATOM 248 C GLU A 19 4.701 -6.892 -1.138 1.00 0.00 C ATOM 249 O GLU A 19 5.539 -6.924 -0.237 1.00 0.00 O ATOM 250 CB GLU A 19 6.151 -6.624 -3.160 1.00 0.00 C ATOM 251 CG GLU A 19 6.094 -8.126 -3.383 1.00 0.00 C ATOM 252 CD GLU A 19 7.458 -8.726 -3.662 1.00 0.00 C ATOM 253 OE1 GLU A 19 8.379 -8.512 -2.846 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.605 -9.410 -4.697 1.00 0.00 O ATOM 0 H GLU A 19 6.034 -4.462 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 19 4.059 -6.146 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.223 -6.124 -4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.058 -6.381 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.664 -8.604 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.429 -8.340 -4.219 1.00 0.00 H new ATOM 261 N ALA A 20 3.550 -7.553 -1.080 1.00 0.00 N ATOM 262 CA ALA A 20 3.199 -8.375 0.072 1.00 0.00 C ATOM 263 C ALA A 20 2.692 -9.745 -0.366 1.00 0.00 C ATOM 264 O ALA A 20 2.501 -9.998 -1.556 1.00 0.00 O ATOM 265 CB ALA A 20 2.153 -7.671 0.923 1.00 0.00 C ATOM 0 H ALA A 20 2.845 -7.536 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 20 4.098 -8.523 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.900 -8.296 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.550 -6.718 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.258 -7.494 0.327 1.00 0.00 H new ATOM 271 N THR A 21 2.476 -10.629 0.604 1.00 0.00 N ATOM 272 CA THR A 21 1.994 -11.974 0.319 1.00 0.00 C ATOM 273 C THR A 21 0.516 -12.113 0.664 1.00 0.00 C ATOM 274 O THR A 21 0.055 -11.593 1.680 1.00 0.00 O ATOM 275 CB THR A 21 2.793 -13.035 1.099 1.00 0.00 C ATOM 276 OG1 THR A 21 4.192 -12.893 0.826 1.00 0.00 O ATOM 277 CG2 THR A 21 2.339 -14.438 0.725 1.00 0.00 C ATOM 0 H THR A 21 2.628 -10.437 1.594 1.00 0.00 H new ATOM 0 HA THR A 21 2.132 -12.139 -0.750 1.00 0.00 H new ATOM 0 HB THR A 21 2.613 -12.883 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.693 -13.570 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.918 -15.170 1.289 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.281 -14.553 0.960 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.493 -14.598 -0.342 1.00 0.00 H new ATOM 285 N GLU A 22 -0.223 -12.818 -0.187 1.00 0.00 N ATOM 286 CA GLU A 22 -1.650 -13.024 0.030 1.00 0.00 C ATOM 287 C GLU A 22 -1.928 -13.427 1.475 1.00 0.00 C ATOM 288 O GLU A 22 -1.210 -14.241 2.054 1.00 0.00 O ATOM 289 CB GLU A 22 -2.183 -14.098 -0.921 1.00 0.00 C ATOM 290 CG GLU A 22 -3.691 -14.272 -0.858 1.00 0.00 C ATOM 291 CD GLU A 22 -4.184 -15.409 -1.733 1.00 0.00 C ATOM 292 OE1 GLU A 22 -4.103 -16.574 -1.291 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.650 -15.133 -2.857 1.00 0.00 O ATOM 0 H GLU A 22 0.143 -13.256 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.162 -12.083 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.897 -13.842 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.706 -15.049 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.989 -14.457 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.173 -13.345 -1.167 1.00 0.00 H new ATOM 300 N GLY A 23 -2.976 -12.849 2.054 1.00 0.00 N ATOM 301 CA GLY A 23 -3.331 -13.158 3.426 1.00 0.00 C ATOM 302 C GLY A 23 -2.825 -12.117 4.405 1.00 0.00 C ATOM 303 O GLY A 23 -3.561 -11.673 5.286 1.00 0.00 O ATOM 0 H GLY A 23 -3.586 -12.172 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.415 -13.234 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.922 -14.132 3.693 1.00 0.00 H new ATOM 307 N ASP A 24 -1.564 -11.729 4.253 1.00 0.00 N ATOM 308 CA ASP A 24 -0.959 -10.734 5.131 1.00 0.00 C ATOM 309 C ASP A 24 -1.761 -9.436 5.116 1.00 0.00 C ATOM 310 O ASP A 24 -2.813 -9.351 4.481 1.00 0.00 O ATOM 311 CB ASP A 24 0.485 -10.460 4.708 1.00 0.00 C ATOM 312 CG ASP A 24 1.427 -11.580 5.104 1.00 0.00 C ATOM 313 OD1 ASP A 24 1.214 -12.182 6.177 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.378 -11.854 4.342 1.00 0.00 O ATOM 0 H ASP A 24 -0.941 -12.088 3.530 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.963 -11.131 6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.524 -10.321 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.823 -9.528 5.161 1.00 0.00 H new ATOM 319 N THR A 25 -1.258 -8.427 5.820 1.00 0.00 N ATOM 320 CA THR A 25 -1.929 -7.135 5.890 1.00 0.00 C ATOM 321 C THR A 25 -1.031 -6.021 5.366 1.00 0.00 C ATOM 322 O THR A 25 -0.088 -5.602 6.037 1.00 0.00 O ATOM 323 CB THR A 25 -2.354 -6.800 7.332 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.336 -7.739 7.784 1.00 0.00 O ATOM 325 CG2 THR A 25 -2.917 -5.389 7.417 1.00 0.00 C ATOM 0 H THR A 25 -0.388 -8.480 6.350 1.00 0.00 H new ATOM 0 HA THR A 25 -2.819 -7.206 5.264 1.00 0.00 H new ATOM 0 HB THR A 25 -1.473 -6.861 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.259 -7.851 8.754 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.210 -5.176 8.445 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.157 -4.674 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.788 -5.305 6.767 1.00 0.00 H new ATOM 333 N ALA A 26 -1.330 -5.544 4.162 1.00 0.00 N ATOM 334 CA ALA A 26 -0.550 -4.475 3.548 1.00 0.00 C ATOM 335 C ALA A 26 -0.699 -3.172 4.326 1.00 0.00 C ATOM 336 O ALA A 26 -1.786 -2.838 4.798 1.00 0.00 O ATOM 337 CB ALA A 26 -0.972 -4.279 2.100 1.00 0.00 C ATOM 0 H ALA A 26 -2.106 -5.880 3.592 1.00 0.00 H new ATOM 0 HA ALA A 26 0.501 -4.764 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.382 -3.478 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.808 -5.203 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.029 -4.015 2.062 1.00 0.00 H new ATOM 343 N THR A 27 0.402 -2.437 4.456 1.00 0.00 N ATOM 344 CA THR A 27 0.395 -1.171 5.178 1.00 0.00 C ATOM 345 C THR A 27 1.080 -0.074 4.371 1.00 0.00 C ATOM 346 O THR A 27 2.308 0.007 4.332 1.00 0.00 O ATOM 347 CB THR A 27 1.093 -1.300 6.545 1.00 0.00 C ATOM 348 OG1 THR A 27 0.553 -2.411 7.269 1.00 0.00 O ATOM 349 CG2 THR A 27 0.925 -0.027 7.360 1.00 0.00 C ATOM 0 H THR A 27 1.310 -2.697 4.070 1.00 0.00 H new ATOM 0 HA THR A 27 -0.650 -0.903 5.336 1.00 0.00 H new ATOM 0 HB THR A 27 2.156 -1.464 6.371 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.004 -2.487 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.426 -0.142 8.321 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.364 0.812 6.820 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.136 0.163 7.524 1.00 0.00 H new ATOM 357 N LEU A 28 0.279 0.769 3.728 1.00 0.00 N ATOM 358 CA LEU A 28 0.808 1.863 2.922 1.00 0.00 C ATOM 359 C LEU A 28 0.737 3.184 3.682 1.00 0.00 C ATOM 360 O LEU A 28 -0.153 3.388 4.507 1.00 0.00 O ATOM 361 CB LEU A 28 0.034 1.975 1.607 1.00 0.00 C ATOM 362 CG LEU A 28 0.248 0.841 0.604 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.999 0.634 -0.242 1.00 0.00 C ATOM 364 CD2 LEU A 28 1.452 1.133 -0.281 1.00 0.00 C ATOM 0 H LEU A 28 -0.739 0.715 3.749 1.00 0.00 H new ATOM 0 HA LEU A 28 1.854 1.647 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.030 2.033 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.307 2.915 1.127 1.00 0.00 H new ATOM 0 HG LEU A 28 0.443 -0.077 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.828 -0.177 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.839 0.380 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.225 1.550 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.590 0.316 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.286 2.062 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.344 1.231 0.338 1.00 0.00 H new ATOM 376 N TRP A 29 1.677 4.076 3.395 1.00 0.00 N ATOM 377 CA TRP A 29 1.719 5.379 4.050 1.00 0.00 C ATOM 378 C TRP A 29 2.420 6.408 3.171 1.00 0.00 C ATOM 379 O TRP A 29 3.179 6.053 2.268 1.00 0.00 O ATOM 380 CB TRP A 29 2.432 5.272 5.399 1.00 0.00 C ATOM 381 CG TRP A 29 3.920 5.424 5.298 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.842 4.422 5.201 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.656 6.652 5.287 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.107 4.952 5.130 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.020 6.318 5.180 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.296 8.000 5.355 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.022 7.285 5.141 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.291 8.958 5.317 1.00 0.00 C ATOM 389 CH2 TRP A 29 6.641 8.597 5.209 1.00 0.00 C ATOM 0 H TRP A 29 2.420 3.922 2.714 1.00 0.00 H new ATOM 0 HA TRP A 29 0.693 5.708 4.214 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.041 6.036 6.070 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.202 4.306 5.848 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.611 3.367 5.183 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.971 4.415 5.053 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.258 8.288 5.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.063 7.009 5.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.024 10.003 5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.395 9.370 5.179 1.00 0.00 H new ATOM 400 N CYS A 30 2.163 7.683 3.439 1.00 0.00 N ATOM 401 CA CYS A 30 2.770 8.764 2.671 1.00 0.00 C ATOM 402 C CYS A 30 2.749 10.070 3.459 1.00 0.00 C ATOM 403 O CYS A 30 1.941 10.242 4.371 1.00 0.00 O ATOM 404 CB CYS A 30 2.038 8.946 1.340 1.00 0.00 C ATOM 405 SG CYS A 30 0.403 9.702 1.494 1.00 0.00 S ATOM 0 H CYS A 30 1.538 7.994 4.183 1.00 0.00 H new ATOM 0 HA CYS A 30 3.808 8.497 2.473 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.651 9.562 0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.933 7.973 0.859 1.00 0.00 H new ATOM 0 HG CYS A 30 0.190 10.485 0.479 1.00 0.00 H new ATOM 411 N GLU A 31 3.643 10.986 3.101 1.00 0.00 N ATOM 412 CA GLU A 31 3.728 12.275 3.777 1.00 0.00 C ATOM 413 C GLU A 31 2.915 13.332 3.036 1.00 0.00 C ATOM 414 O GLU A 31 2.729 13.250 1.822 1.00 0.00 O ATOM 415 CB GLU A 31 5.187 12.723 3.888 1.00 0.00 C ATOM 416 CG GLU A 31 5.437 13.709 5.017 1.00 0.00 C ATOM 417 CD GLU A 31 5.642 13.025 6.355 1.00 0.00 C ATOM 418 OE1 GLU A 31 6.516 12.138 6.438 1.00 0.00 O ATOM 419 OE2 GLU A 31 4.929 13.378 7.317 1.00 0.00 O ATOM 0 H GLU A 31 4.318 10.859 2.347 1.00 0.00 H new ATOM 0 HA GLU A 31 3.314 12.159 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.817 11.846 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.491 13.178 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.316 14.309 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.593 14.394 5.089 1.00 0.00 H new ATOM 426 N LEU A 32 2.432 14.325 3.776 1.00 0.00 N ATOM 427 CA LEU A 32 1.638 15.399 3.191 1.00 0.00 C ATOM 428 C LEU A 32 2.252 16.761 3.500 1.00 0.00 C ATOM 429 O LEU A 32 2.692 17.014 4.621 1.00 0.00 O ATOM 430 CB LEU A 32 0.202 15.343 3.716 1.00 0.00 C ATOM 431 CG LEU A 32 -0.871 15.934 2.801 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.871 15.228 1.454 1.00 0.00 C ATOM 433 CD2 LEU A 32 -2.241 15.838 3.455 1.00 0.00 C ATOM 0 H LEU A 32 2.577 14.408 4.782 1.00 0.00 H new ATOM 0 HA LEU A 32 1.628 15.262 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.051 14.301 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.165 15.867 4.671 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.642 16.987 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.641 15.662 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.103 15.348 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.075 14.167 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.992 16.263 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.479 14.792 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.235 16.390 4.395 1.00 0.00 H new ATOM 445 N SER A 33 2.276 17.635 2.499 1.00 0.00 N ATOM 446 CA SER A 33 2.837 18.970 2.663 1.00 0.00 C ATOM 447 C SER A 33 1.988 19.802 3.619 1.00 0.00 C ATOM 448 O SER A 33 2.456 20.792 4.184 1.00 0.00 O ATOM 449 CB SER A 33 2.939 19.674 1.309 1.00 0.00 C ATOM 450 OG SER A 33 1.758 20.404 1.024 1.00 0.00 O ATOM 0 H SER A 33 1.913 17.442 1.565 1.00 0.00 H new ATOM 0 HA SER A 33 3.836 18.868 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.796 20.348 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.113 18.937 0.525 1.00 0.00 H new ATOM 0 HG SER A 33 1.978 21.353 0.916 1.00 0.00 H new ATOM 456 N LYS A 34 0.736 19.394 3.796 1.00 0.00 N ATOM 457 CA LYS A 34 -0.181 20.099 4.684 1.00 0.00 C ATOM 458 C LYS A 34 -1.113 19.121 5.392 1.00 0.00 C ATOM 459 O LYS A 34 -1.532 18.119 4.813 1.00 0.00 O ATOM 460 CB LYS A 34 -1.001 21.123 3.896 1.00 0.00 C ATOM 461 CG LYS A 34 -2.310 21.501 4.568 1.00 0.00 C ATOM 462 CD LYS A 34 -2.073 22.289 5.845 1.00 0.00 C ATOM 463 CE LYS A 34 -2.012 23.785 5.575 1.00 0.00 C ATOM 464 NZ LYS A 34 -3.356 24.419 5.660 1.00 0.00 N ATOM 0 H LYS A 34 0.333 18.578 3.336 1.00 0.00 H new ATOM 0 HA LYS A 34 0.411 20.619 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.403 22.023 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.214 20.721 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.915 22.093 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.877 20.598 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.872 22.079 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.141 21.963 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.342 24.257 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.591 23.958 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.272 25.438 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.989 23.987 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.748 24.276 6.613 1.00 0.00 H new ATOM 478 N ALA A 35 -1.436 19.420 6.646 1.00 0.00 N ATOM 479 CA ALA A 35 -2.321 18.569 7.430 1.00 0.00 C ATOM 480 C ALA A 35 -3.760 18.667 6.933 1.00 0.00 C ATOM 481 O ALA A 35 -4.429 19.679 7.138 1.00 0.00 O ATOM 482 CB ALA A 35 -2.243 18.941 8.904 1.00 0.00 C ATOM 0 H ALA A 35 -1.098 20.246 7.140 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.992 17.537 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.910 18.297 9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.220 18.812 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.543 19.981 9.033 1.00 0.00 H new ATOM 488 N ALA A 36 -4.228 17.609 6.279 1.00 0.00 N ATOM 489 CA ALA A 36 -5.588 17.577 5.754 1.00 0.00 C ATOM 490 C ALA A 36 -6.066 16.142 5.558 1.00 0.00 C ATOM 491 O ALA A 36 -5.274 15.218 5.372 1.00 0.00 O ATOM 492 CB ALA A 36 -5.666 18.345 4.443 1.00 0.00 C ATOM 0 H ALA A 36 -3.686 16.763 6.100 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.244 18.055 6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.687 18.313 4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.374 19.382 4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.993 17.892 3.715 1.00 0.00 H new ATOM 498 N PRO A 37 -7.393 15.949 5.602 1.00 0.00 N ATOM 499 CA PRO A 37 -8.007 14.629 5.432 1.00 0.00 C ATOM 500 C PRO A 37 -7.879 14.110 4.003 1.00 0.00 C ATOM 501 O PRO A 37 -8.500 14.641 3.082 1.00 0.00 O ATOM 502 CB PRO A 37 -9.476 14.872 5.783 1.00 0.00 C ATOM 503 CG PRO A 37 -9.697 16.319 5.506 1.00 0.00 C ATOM 504 CD PRO A 37 -8.396 17.005 5.821 1.00 0.00 C ATOM 0 HA PRO A 37 -7.526 13.873 6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.136 14.248 5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.678 14.633 6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.980 16.478 4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.506 16.715 6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.226 17.862 5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.374 17.374 6.846 1.00 0.00 H new ATOM 512 N VAL A 38 -7.071 13.070 3.826 1.00 0.00 N ATOM 513 CA VAL A 38 -6.864 12.479 2.509 1.00 0.00 C ATOM 514 C VAL A 38 -7.899 11.396 2.224 1.00 0.00 C ATOM 515 O VAL A 38 -8.601 10.942 3.127 1.00 0.00 O ATOM 516 CB VAL A 38 -5.454 11.873 2.382 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.393 12.925 2.664 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.299 10.683 3.317 1.00 0.00 C ATOM 0 H VAL A 38 -6.549 12.619 4.578 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.973 13.282 1.780 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.320 11.522 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.403 12.478 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.492 13.742 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.522 13.310 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.297 10.267 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.454 11.007 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.036 9.921 3.062 1.00 0.00 H new ATOM 528 N GLU A 39 -7.986 10.986 0.962 1.00 0.00 N ATOM 529 CA GLU A 39 -8.936 9.956 0.559 1.00 0.00 C ATOM 530 C GLU A 39 -8.240 8.858 -0.241 1.00 0.00 C ATOM 531 O GLU A 39 -7.556 9.132 -1.227 1.00 0.00 O ATOM 532 CB GLU A 39 -10.065 10.569 -0.272 1.00 0.00 C ATOM 533 CG GLU A 39 -11.092 9.554 -0.747 1.00 0.00 C ATOM 534 CD GLU A 39 -12.431 10.187 -1.070 1.00 0.00 C ATOM 535 OE1 GLU A 39 -13.179 10.508 -0.122 1.00 0.00 O ATOM 536 OE2 GLU A 39 -12.732 10.361 -2.269 1.00 0.00 O ATOM 0 H GLU A 39 -7.411 11.351 0.203 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.358 9.514 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.568 11.332 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.635 11.071 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.712 9.045 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.230 8.794 0.023 1.00 0.00 H new ATOM 543 N TRP A 40 -8.420 7.615 0.191 1.00 0.00 N ATOM 544 CA TRP A 40 -7.809 6.475 -0.483 1.00 0.00 C ATOM 545 C TRP A 40 -8.794 5.821 -1.446 1.00 0.00 C ATOM 546 O TRP A 40 -9.998 5.790 -1.191 1.00 0.00 O ATOM 547 CB TRP A 40 -7.322 5.450 0.542 1.00 0.00 C ATOM 548 CG TRP A 40 -6.265 5.985 1.460 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.430 6.919 2.443 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.881 5.619 1.480 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.231 7.156 3.072 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.266 6.370 2.501 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.103 4.728 0.736 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.909 6.256 2.793 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.756 4.617 1.028 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.171 5.377 2.049 1.00 0.00 C ATOM 0 H TRP A 40 -8.984 7.371 1.005 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.956 6.838 -1.056 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.170 5.109 1.136 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.930 4.579 0.017 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.365 7.400 2.690 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.084 7.811 3.840 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.546 4.137 -0.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.455 6.841 3.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.144 3.932 0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.116 5.267 2.253 1.00 0.00 H new ATOM 567 N ARG A 41 -8.275 5.299 -2.552 1.00 0.00 N ATOM 568 CA ARG A 41 -9.110 4.646 -3.553 1.00 0.00 C ATOM 569 C ARG A 41 -8.479 3.336 -4.017 1.00 0.00 C ATOM 570 O ARG A 41 -7.262 3.242 -4.174 1.00 0.00 O ATOM 571 CB ARG A 41 -9.327 5.572 -4.751 1.00 0.00 C ATOM 572 CG ARG A 41 -10.179 6.790 -4.433 1.00 0.00 C ATOM 573 CD ARG A 41 -10.354 7.682 -5.652 1.00 0.00 C ATOM 574 NE ARG A 41 -11.408 8.674 -5.457 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.768 9.554 -6.385 1.00 0.00 C ATOM 576 NH1 ARG A 41 -11.163 9.565 -7.564 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.736 10.426 -6.133 1.00 0.00 N ATOM 0 H ARG A 41 -7.280 5.315 -2.778 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.074 4.423 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.358 5.904 -5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.800 5.008 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.156 6.468 -4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.715 7.360 -3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.414 8.190 -5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.591 7.067 -6.520 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.894 8.692 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.418 8.896 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.442 10.242 -8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.204 10.421 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.012 11.101 -6.846 1.00 0.00 H new ATOM 591 N LYS A 42 -9.316 2.327 -4.236 1.00 0.00 N ATOM 592 CA LYS A 42 -8.841 1.023 -4.683 1.00 0.00 C ATOM 593 C LYS A 42 -9.663 0.521 -5.866 1.00 0.00 C ATOM 594 O LYS A 42 -10.704 -0.110 -5.689 1.00 0.00 O ATOM 595 CB LYS A 42 -8.910 0.012 -3.536 1.00 0.00 C ATOM 596 CG LYS A 42 -8.299 -1.337 -3.876 1.00 0.00 C ATOM 597 CD LYS A 42 -8.658 -2.389 -2.840 1.00 0.00 C ATOM 598 CE LYS A 42 -9.938 -3.121 -3.210 1.00 0.00 C ATOM 599 NZ LYS A 42 -11.142 -2.459 -2.635 1.00 0.00 N ATOM 0 H LYS A 42 -10.327 2.388 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.805 1.132 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.397 0.425 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.952 -0.132 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.647 -1.658 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.215 -1.241 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.841 -3.105 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.777 -1.916 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.031 -3.164 -4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.884 -4.150 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.876 -3.172 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.887 -1.988 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.505 -1.754 -3.308 1.00 0.00 H new ATOM 613 N GLY A 43 -9.187 0.806 -7.075 1.00 0.00 N ATOM 614 CA GLY A 43 -9.889 0.375 -8.269 1.00 0.00 C ATOM 615 C GLY A 43 -11.241 1.045 -8.421 1.00 0.00 C ATOM 616 O GLY A 43 -12.253 0.533 -7.942 1.00 0.00 O ATOM 0 H GLY A 43 -8.328 1.328 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.278 0.594 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.024 -0.706 -8.237 1.00 0.00 H new ATOM 620 N HIS A 44 -11.258 2.195 -9.087 1.00 0.00 N ATOM 621 CA HIS A 44 -12.495 2.937 -9.299 1.00 0.00 C ATOM 622 C HIS A 44 -13.413 2.822 -8.086 1.00 0.00 C ATOM 623 O HIS A 44 -14.630 2.709 -8.225 1.00 0.00 O ATOM 624 CB HIS A 44 -13.215 2.425 -10.547 1.00 0.00 C ATOM 625 CG HIS A 44 -14.335 3.310 -10.999 1.00 0.00 C ATOM 626 ND1 HIS A 44 -15.463 2.833 -11.632 1.00 0.00 N ATOM 627 CD2 HIS A 44 -14.498 4.651 -10.904 1.00 0.00 C ATOM 628 CE1 HIS A 44 -16.270 3.841 -11.909 1.00 0.00 C ATOM 629 NE2 HIS A 44 -15.708 4.955 -11.477 1.00 0.00 N ATOM 0 H HIS A 44 -10.429 2.633 -9.489 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.239 3.987 -9.441 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.493 2.325 -11.357 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.609 1.429 -10.346 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -13.805 5.351 -10.460 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -17.227 3.767 -12.405 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -16.108 5.890 -11.556 1.00 0.00 H new ATOM 638 N GLU A 45 -12.820 2.851 -6.896 1.00 0.00 N ATOM 639 CA GLU A 45 -13.585 2.748 -5.659 1.00 0.00 C ATOM 640 C GLU A 45 -12.880 3.481 -4.521 1.00 0.00 C ATOM 641 O GLU A 45 -11.652 3.570 -4.490 1.00 0.00 O ATOM 642 CB GLU A 45 -13.793 1.280 -5.283 1.00 0.00 C ATOM 643 CG GLU A 45 -15.044 1.035 -4.456 1.00 0.00 C ATOM 644 CD GLU A 45 -15.401 -0.435 -4.359 1.00 0.00 C ATOM 645 OE1 GLU A 45 -15.331 -1.131 -5.394 1.00 0.00 O ATOM 646 OE2 GLU A 45 -15.752 -0.890 -3.250 1.00 0.00 O ATOM 0 H GLU A 45 -11.813 2.945 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.556 3.215 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.848 0.684 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.924 0.930 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.896 1.436 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.879 1.579 -4.897 1.00 0.00 H new ATOM 653 N THR A 46 -13.666 4.005 -3.586 1.00 0.00 N ATOM 654 CA THR A 46 -13.119 4.731 -2.447 1.00 0.00 C ATOM 655 C THR A 46 -13.119 3.866 -1.192 1.00 0.00 C ATOM 656 O THR A 46 -14.156 3.337 -0.790 1.00 0.00 O ATOM 657 CB THR A 46 -13.915 6.020 -2.167 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.907 6.862 -3.326 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.328 6.773 -0.983 1.00 0.00 C ATOM 0 H THR A 46 -14.684 3.940 -3.595 1.00 0.00 H new ATOM 0 HA THR A 46 -12.093 4.994 -2.704 1.00 0.00 H new ATOM 0 HB THR A 46 -14.941 5.742 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.416 7.678 -3.141 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.907 7.679 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.362 6.140 -0.096 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.293 7.040 -1.198 1.00 0.00 H new ATOM 667 N LEU A 47 -11.950 3.726 -0.576 1.00 0.00 N ATOM 668 CA LEU A 47 -11.815 2.924 0.635 1.00 0.00 C ATOM 669 C LEU A 47 -12.410 3.650 1.838 1.00 0.00 C ATOM 670 O LEU A 47 -12.374 4.878 1.914 1.00 0.00 O ATOM 671 CB LEU A 47 -10.342 2.604 0.897 1.00 0.00 C ATOM 672 CG LEU A 47 -9.616 1.835 -0.208 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.137 1.697 0.120 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.249 0.466 -0.411 1.00 0.00 C ATOM 0 H LEU A 47 -11.082 4.157 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.363 1.993 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.812 3.541 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.275 2.026 1.819 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.710 2.398 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.637 1.147 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.691 2.687 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.022 1.158 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.719 -0.066 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.187 -0.105 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.295 0.587 -0.693 1.00 0.00 H new ATOM 686 N ARG A 48 -12.955 2.882 2.775 1.00 0.00 N ATOM 687 CA ARG A 48 -13.558 3.451 3.974 1.00 0.00 C ATOM 688 C ARG A 48 -13.058 2.736 5.226 1.00 0.00 C ATOM 689 O ARG A 48 -12.749 1.544 5.191 1.00 0.00 O ATOM 690 CB ARG A 48 -15.083 3.362 3.897 1.00 0.00 C ATOM 691 CG ARG A 48 -15.694 4.277 2.849 1.00 0.00 C ATOM 692 CD ARG A 48 -17.200 4.397 3.025 1.00 0.00 C ATOM 693 NE ARG A 48 -17.554 5.041 4.286 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.755 5.550 4.540 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.712 5.488 3.624 1.00 0.00 N ATOM 696 NH2 ARG A 48 -19.001 6.121 5.712 1.00 0.00 N ATOM 0 H ARG A 48 -12.991 1.864 2.727 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.266 4.499 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.368 2.333 3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.503 3.609 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.239 5.265 2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.472 3.892 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.617 4.969 2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.650 3.405 2.986 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.840 5.104 5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.527 5.049 2.722 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.633 5.879 3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.268 6.170 6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.923 6.511 5.906 1.00 0.00 H new ATOM 710 N ASP A 49 -12.980 3.470 6.330 1.00 0.00 N ATOM 711 CA ASP A 49 -12.519 2.906 7.593 1.00 0.00 C ATOM 712 C ASP A 49 -13.633 2.119 8.276 1.00 0.00 C ATOM 713 O ASP A 49 -14.628 2.691 8.720 1.00 0.00 O ATOM 714 CB ASP A 49 -12.019 4.016 8.520 1.00 0.00 C ATOM 715 CG ASP A 49 -13.012 5.154 8.648 1.00 0.00 C ATOM 716 OD1 ASP A 49 -12.942 6.097 7.832 1.00 0.00 O ATOM 717 OD2 ASP A 49 -13.859 5.102 9.565 1.00 0.00 O ATOM 0 H ASP A 49 -13.230 4.458 6.376 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.696 2.224 7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.820 3.599 9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.073 4.404 8.141 1.00 0.00 H new ATOM 765 N HIS A 53 -10.484 -2.634 7.075 1.00 0.00 N ATOM 766 CA HIS A 53 -9.716 -1.489 6.598 1.00 0.00 C ATOM 767 C HIS A 53 -9.519 -0.465 7.712 1.00 0.00 C ATOM 768 O HIS A 53 -10.406 -0.255 8.539 1.00 0.00 O ATOM 769 CB HIS A 53 -10.419 -0.837 5.408 1.00 0.00 C ATOM 770 CG HIS A 53 -10.463 -1.705 4.189 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.245 -2.838 4.099 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.817 -1.602 3.004 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.076 -3.394 2.913 1.00 0.00 C ATOM 774 NE2 HIS A 53 -10.215 -2.663 2.228 1.00 0.00 N ATOM 0 HA HIS A 53 -8.737 -1.846 6.280 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.438 -0.578 5.696 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.910 0.095 5.162 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.118 -0.829 2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.560 -4.294 2.563 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.898 -2.855 1.278 1.00 0.00 H new ATOM 783 N SER A 54 -8.351 0.169 7.726 1.00 0.00 N ATOM 784 CA SER A 54 -8.036 1.168 8.741 1.00 0.00 C ATOM 785 C SER A 54 -7.460 2.429 8.102 1.00 0.00 C ATOM 786 O SER A 54 -6.268 2.498 7.802 1.00 0.00 O ATOM 787 CB SER A 54 -7.044 0.599 9.757 1.00 0.00 C ATOM 788 OG SER A 54 -7.440 -0.691 10.189 1.00 0.00 O ATOM 0 H SER A 54 -7.607 0.009 7.046 1.00 0.00 H new ATOM 0 HA SER A 54 -8.960 1.431 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.051 0.548 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.974 1.268 10.615 1.00 0.00 H new ATOM 0 HG SER A 54 -6.789 -1.033 10.836 1.00 0.00 H new ATOM 794 N LEU A 55 -8.316 3.423 7.896 1.00 0.00 N ATOM 795 CA LEU A 55 -7.895 4.683 7.293 1.00 0.00 C ATOM 796 C LEU A 55 -7.773 5.778 8.348 1.00 0.00 C ATOM 797 O LEU A 55 -8.775 6.244 8.891 1.00 0.00 O ATOM 798 CB LEU A 55 -8.887 5.110 6.210 1.00 0.00 C ATOM 799 CG LEU A 55 -8.971 4.203 4.981 1.00 0.00 C ATOM 800 CD1 LEU A 55 -9.770 2.948 5.297 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.589 4.950 3.809 1.00 0.00 C ATOM 0 H LEU A 55 -9.306 3.381 8.138 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.916 4.531 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.879 5.173 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.622 6.114 5.878 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.960 3.904 4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.819 2.315 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.285 2.402 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.779 3.226 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.641 4.290 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.594 5.278 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.976 5.818 3.567 1.00 0.00 H new ATOM 813 N ARG A 56 -6.540 6.186 8.630 1.00 0.00 N ATOM 814 CA ARG A 56 -6.288 7.228 9.619 1.00 0.00 C ATOM 815 C ARG A 56 -4.945 7.906 9.363 1.00 0.00 C ATOM 816 O ARG A 56 -3.923 7.239 9.203 1.00 0.00 O ATOM 817 CB ARG A 56 -6.313 6.638 11.030 1.00 0.00 C ATOM 818 CG ARG A 56 -5.257 5.570 11.263 1.00 0.00 C ATOM 819 CD ARG A 56 -5.210 5.142 12.721 1.00 0.00 C ATOM 820 NE ARG A 56 -6.450 4.494 13.141 1.00 0.00 N ATOM 821 CZ ARG A 56 -6.738 4.209 14.406 1.00 0.00 C ATOM 822 NH1 ARG A 56 -5.880 4.514 15.370 1.00 0.00 N ATOM 823 NH2 ARG A 56 -7.887 3.619 14.710 1.00 0.00 N ATOM 0 H ARG A 56 -5.700 5.811 8.188 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.076 7.976 9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.171 7.441 11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.298 6.210 11.218 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.469 4.704 10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.281 5.950 10.963 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.375 4.458 12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.026 6.014 13.349 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.132 4.247 12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.996 4.969 15.141 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.104 4.294 16.340 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.550 3.384 13.972 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.107 3.401 15.682 1.00 0.00 H new ATOM 837 N GLN A 57 -4.957 9.234 9.326 1.00 0.00 N ATOM 838 CA GLN A 57 -3.740 10.002 9.089 1.00 0.00 C ATOM 839 C GLN A 57 -3.431 10.913 10.272 1.00 0.00 C ATOM 840 O GLN A 57 -4.310 11.615 10.774 1.00 0.00 O ATOM 841 CB GLN A 57 -3.877 10.833 7.812 1.00 0.00 C ATOM 842 CG GLN A 57 -4.488 12.206 8.042 1.00 0.00 C ATOM 843 CD GLN A 57 -4.505 13.055 6.787 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.349 12.870 5.910 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.571 13.994 6.694 1.00 0.00 N ATOM 0 H GLN A 57 -5.795 9.801 9.457 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.915 9.300 8.971 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.893 10.954 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.492 10.286 7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.507 12.089 8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.926 12.724 8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.891 14.113 7.445 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.534 14.597 5.872 1.00 0.00 H new ATOM 854 N ASP A 58 -2.179 10.897 10.714 1.00 0.00 N ATOM 855 CA ASP A 58 -1.754 11.723 11.839 1.00 0.00 C ATOM 856 C ASP A 58 -1.106 13.015 11.351 1.00 0.00 C ATOM 857 O ASP A 58 -0.093 12.988 10.654 1.00 0.00 O ATOM 858 CB ASP A 58 -0.775 10.950 12.725 1.00 0.00 C ATOM 859 CG ASP A 58 -0.800 11.425 14.165 1.00 0.00 C ATOM 860 OD1 ASP A 58 -0.459 12.601 14.408 1.00 0.00 O ATOM 861 OD2 ASP A 58 -1.160 10.619 15.049 1.00 0.00 O ATOM 0 H ASP A 58 -1.440 10.321 10.311 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.637 11.979 12.424 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.019 9.888 12.691 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.234 11.058 12.327 1.00 0.00 H new ATOM 866 N GLY A 59 -1.700 14.145 11.721 1.00 0.00 N ATOM 867 CA GLY A 59 -1.168 15.432 11.311 1.00 0.00 C ATOM 868 C GLY A 59 -0.987 15.532 9.809 1.00 0.00 C ATOM 869 O GLY A 59 -1.911 15.907 9.089 1.00 0.00 O ATOM 0 H GLY A 59 -2.540 14.193 12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.839 16.223 11.647 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.209 15.598 11.801 1.00 0.00 H new ATOM 873 N SER A 60 0.209 15.196 9.335 1.00 0.00 N ATOM 874 CA SER A 60 0.511 15.255 7.910 1.00 0.00 C ATOM 875 C SER A 60 1.052 13.918 7.413 1.00 0.00 C ATOM 876 O SER A 60 1.870 13.870 6.495 1.00 0.00 O ATOM 877 CB SER A 60 1.525 16.365 7.627 1.00 0.00 C ATOM 878 OG SER A 60 1.056 17.617 8.098 1.00 0.00 O ATOM 0 H SER A 60 0.984 14.880 9.918 1.00 0.00 H new ATOM 0 HA SER A 60 -0.414 15.473 7.377 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.474 16.125 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.715 16.424 6.555 1.00 0.00 H new ATOM 0 HG SER A 60 1.723 18.309 7.907 1.00 0.00 H new ATOM 884 N ARG A 61 0.589 12.835 8.028 1.00 0.00 N ATOM 885 CA ARG A 61 1.026 11.496 7.650 1.00 0.00 C ATOM 886 C ARG A 61 -0.169 10.563 7.474 1.00 0.00 C ATOM 887 O ARG A 61 -0.984 10.404 8.383 1.00 0.00 O ATOM 888 CB ARG A 61 1.977 10.930 8.706 1.00 0.00 C ATOM 889 CG ARG A 61 2.887 9.832 8.180 1.00 0.00 C ATOM 890 CD ARG A 61 3.394 8.943 9.305 1.00 0.00 C ATOM 891 NE ARG A 61 3.925 7.677 8.805 1.00 0.00 N ATOM 892 CZ ARG A 61 5.148 7.540 8.304 1.00 0.00 C ATOM 893 NH1 ARG A 61 5.962 8.585 8.238 1.00 0.00 N ATOM 894 NH2 ARG A 61 5.559 6.356 7.869 1.00 0.00 N ATOM 0 H ARG A 61 -0.089 12.858 8.790 1.00 0.00 H new ATOM 0 HA ARG A 61 1.552 11.568 6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.590 11.740 9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.391 10.538 9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.346 9.227 7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.733 10.278 7.658 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.171 9.468 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.582 8.745 10.004 1.00 0.00 H new ATOM 0 HE ARG A 61 3.324 6.854 8.843 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.650 9.497 8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.900 8.477 7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.936 5.550 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.498 6.252 7.485 1.00 0.00 H new ATOM 908 N CYS A 62 -0.265 9.950 6.300 1.00 0.00 N ATOM 909 CA CYS A 62 -1.361 9.033 6.004 1.00 0.00 C ATOM 910 C CYS A 62 -0.902 7.583 6.116 1.00 0.00 C ATOM 911 O CYS A 62 0.222 7.247 5.745 1.00 0.00 O ATOM 912 CB CYS A 62 -1.911 9.299 4.602 1.00 0.00 C ATOM 913 SG CYS A 62 -1.838 11.034 4.097 1.00 0.00 S ATOM 0 H CYS A 62 0.402 10.071 5.538 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.151 9.203 6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.352 8.699 3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.947 8.963 4.560 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.044 11.155 3.074 1.00 0.00 H new ATOM 919 N GLU A 63 -1.780 6.729 6.633 1.00 0.00 N ATOM 920 CA GLU A 63 -1.463 5.315 6.797 1.00 0.00 C ATOM 921 C GLU A 63 -2.699 4.450 6.565 1.00 0.00 C ATOM 922 O GLU A 63 -3.650 4.483 7.347 1.00 0.00 O ATOM 923 CB GLU A 63 -0.900 5.054 8.196 1.00 0.00 C ATOM 924 CG GLU A 63 0.065 3.882 8.255 1.00 0.00 C ATOM 925 CD GLU A 63 0.670 3.694 9.633 1.00 0.00 C ATOM 926 OE1 GLU A 63 0.004 3.083 10.494 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.809 4.158 9.849 1.00 0.00 O ATOM 0 H GLU A 63 -2.715 6.991 6.945 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.710 5.050 6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.390 5.951 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.726 4.868 8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.458 2.971 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.864 4.037 7.530 1.00 0.00 H new ATOM 934 N LEU A 64 -2.678 3.677 5.485 1.00 0.00 N ATOM 935 CA LEU A 64 -3.796 2.802 5.148 1.00 0.00 C ATOM 936 C LEU A 64 -3.465 1.348 5.466 1.00 0.00 C ATOM 937 O LEU A 64 -2.337 0.899 5.261 1.00 0.00 O ATOM 938 CB LEU A 64 -4.151 2.944 3.667 1.00 0.00 C ATOM 939 CG LEU A 64 -5.018 1.832 3.075 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.436 1.913 3.620 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.024 1.912 1.556 1.00 0.00 C ATOM 0 H LEU A 64 -1.899 3.638 4.827 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.653 3.100 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.668 3.894 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.224 2.998 3.095 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.593 0.872 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.038 1.114 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.416 1.806 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.872 2.877 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.646 1.113 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.424 2.877 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.006 1.804 1.182 1.00 0.00 H new ATOM 953 N GLN A 65 -4.456 0.617 5.966 1.00 0.00 N ATOM 954 CA GLN A 65 -4.269 -0.788 6.311 1.00 0.00 C ATOM 955 C GLN A 65 -5.341 -1.655 5.659 1.00 0.00 C ATOM 956 O GLN A 65 -6.528 -1.330 5.704 1.00 0.00 O ATOM 957 CB GLN A 65 -4.302 -0.971 7.829 1.00 0.00 C ATOM 958 CG GLN A 65 -3.626 -2.248 8.302 1.00 0.00 C ATOM 959 CD GLN A 65 -3.534 -2.334 9.813 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.544 -2.487 10.500 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.319 -2.236 10.339 1.00 0.00 N ATOM 0 H GLN A 65 -5.395 0.973 6.141 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.295 -1.102 5.936 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.816 -0.117 8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.339 -0.973 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.179 -3.108 7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.624 -2.303 7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.509 -2.110 9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.195 -2.287 11.350 1.00 0.00 H new ATOM 970 N ILE A 66 -4.915 -2.759 5.054 1.00 0.00 N ATOM 971 CA ILE A 66 -5.839 -3.673 4.394 1.00 0.00 C ATOM 972 C ILE A 66 -5.634 -5.105 4.876 1.00 0.00 C ATOM 973 O ILE A 66 -4.701 -5.786 4.450 1.00 0.00 O ATOM 974 CB ILE A 66 -5.676 -3.630 2.863 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.797 -2.191 2.356 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.711 -4.522 2.195 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.234 -1.991 0.966 1.00 0.00 C ATOM 0 H ILE A 66 -3.936 -3.042 5.007 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.846 -3.346 4.653 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.684 -4.003 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.848 -1.900 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.280 -1.526 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.583 -4.481 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.581 -5.549 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.711 -4.176 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.354 -0.948 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.175 -2.250 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.767 -2.630 0.262 1.00 0.00 H new ATOM 989 N ARG A 67 -6.512 -5.556 5.765 1.00 0.00 N ATOM 990 CA ARG A 67 -6.428 -6.908 6.304 1.00 0.00 C ATOM 991 C ARG A 67 -7.049 -7.917 5.343 1.00 0.00 C ATOM 992 O ARG A 67 -8.042 -7.625 4.677 1.00 0.00 O ATOM 993 CB ARG A 67 -7.128 -6.983 7.662 1.00 0.00 C ATOM 994 CG ARG A 67 -6.296 -6.431 8.808 1.00 0.00 C ATOM 995 CD ARG A 67 -6.948 -6.709 10.154 1.00 0.00 C ATOM 996 NE ARG A 67 -7.220 -8.131 10.347 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.906 -8.615 11.376 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.388 -7.795 12.300 1.00 0.00 N ATOM 999 NH2 ARG A 67 -8.113 -9.921 11.482 1.00 0.00 N ATOM 0 H ARG A 67 -7.290 -5.005 6.128 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.374 -7.156 6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.067 -6.432 7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.380 -8.022 7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.302 -6.877 8.785 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.166 -5.356 8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.297 -6.353 10.953 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.880 -6.148 10.228 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.863 -8.788 9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.232 -6.790 12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.915 -8.169 13.089 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.745 -10.555 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.640 -10.291 12.273 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.458 -9.106 5.277 1.00 0.00 N ATOM 1014 CA GLY A 68 -6.967 -10.139 4.394 1.00 0.00 C ATOM 1015 C GLY A 68 -6.614 -9.886 2.941 1.00 0.00 C ATOM 1016 O GLY A 68 -7.475 -9.959 2.064 1.00 0.00 O ATOM 0 H GLY A 68 -5.636 -9.372 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.564 -11.105 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.051 -10.199 4.496 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.345 -9.587 2.686 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.880 -9.321 1.329 1.00 0.00 C ATOM 1022 C LEU A 69 -5.378 -10.391 0.363 1.00 0.00 C ATOM 1023 O LEU A 69 -5.591 -11.540 0.749 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.352 -9.259 1.296 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.729 -7.893 1.589 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.211 -7.992 1.610 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -3.184 -6.868 0.560 1.00 0.00 C ATOM 0 H LEU A 69 -4.620 -9.523 3.401 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.284 -8.358 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.964 -9.976 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.016 -9.586 0.312 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.065 -7.565 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.785 -7.011 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.903 -8.694 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.856 -8.342 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.731 -5.902 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.878 -7.191 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.270 -6.776 0.593 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.559 -10.006 -0.896 1.00 0.00 N ATOM 1040 CA ALA A 70 -6.028 -10.933 -1.918 1.00 0.00 C ATOM 1041 C ALA A 70 -5.467 -10.568 -3.289 1.00 0.00 C ATOM 1042 O ALA A 70 -4.929 -9.477 -3.480 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.549 -10.952 -1.956 1.00 0.00 C ATOM 0 H ALA A 70 -5.388 -9.058 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.670 -11.930 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.885 -11.649 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.933 -11.268 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.920 -9.953 -2.185 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.595 -11.488 -4.240 1.00 0.00 N ATOM 1050 CA VAL A 71 -5.102 -11.262 -5.593 1.00 0.00 C ATOM 1051 C VAL A 71 -5.813 -10.084 -6.248 1.00 0.00 C ATOM 1052 O VAL A 71 -5.217 -9.342 -7.030 1.00 0.00 O ATOM 1053 CB VAL A 71 -5.286 -12.513 -6.473 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.719 -12.275 -7.864 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.632 -13.723 -5.822 1.00 0.00 C ATOM 0 H VAL A 71 -6.036 -12.397 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.038 -11.039 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.353 -12.714 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.858 -13.169 -8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.237 -11.436 -8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.655 -12.049 -7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.772 -14.598 -6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.566 -13.535 -5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.089 -13.904 -4.849 1.00 0.00 H new ATOM 1065 N VAL A 72 -7.091 -9.916 -5.924 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.884 -8.827 -6.480 1.00 0.00 C ATOM 1067 C VAL A 72 -7.458 -7.484 -5.897 1.00 0.00 C ATOM 1068 O VAL A 72 -7.718 -6.432 -6.481 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.387 -9.035 -6.216 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.873 -10.316 -6.876 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.667 -9.057 -4.721 1.00 0.00 C ATOM 0 H VAL A 72 -7.599 -10.521 -5.279 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.709 -8.825 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.934 -8.199 -6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.937 -10.446 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.708 -10.256 -7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.322 -11.165 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.734 -9.205 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.110 -9.872 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.358 -8.110 -4.279 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.802 -7.528 -4.743 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.338 -6.315 -4.080 1.00 0.00 C ATOM 1083 C ASP A 73 -5.109 -5.748 -4.784 1.00 0.00 C ATOM 1084 O ASP A 73 -4.883 -4.538 -4.782 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.014 -6.601 -2.613 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.221 -6.433 -1.711 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.291 -6.982 -2.044 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.095 -5.751 -0.672 1.00 0.00 O ATOM 0 H ASP A 73 -6.579 -8.391 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.137 -5.575 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.633 -7.618 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.220 -5.931 -2.282 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.317 -6.631 -5.384 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.111 -6.218 -6.092 1.00 0.00 C ATOM 1095 C ALA A 74 -3.457 -5.480 -7.380 1.00 0.00 C ATOM 1096 O ALA A 74 -4.056 -6.049 -8.292 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.236 -7.426 -6.392 1.00 0.00 C ATOM 0 H ALA A 74 -4.489 -7.636 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.558 -5.533 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.339 -7.103 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.952 -7.911 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.789 -8.131 -7.013 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.075 -4.208 -7.449 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.355 -3.413 -8.630 1.00 0.00 C ATOM 1105 C GLY A 75 -2.705 -2.044 -8.575 1.00 0.00 C ATOM 1106 O GLY A 75 -1.522 -1.900 -8.882 1.00 0.00 O ATOM 0 H GLY A 75 -2.577 -3.714 -6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.002 -3.944 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.433 -3.296 -8.738 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.480 -1.038 -8.184 1.00 0.00 N ATOM 1111 CA GLU A 76 -2.972 0.326 -8.093 1.00 0.00 C ATOM 1112 C GLU A 76 -3.796 1.148 -7.106 1.00 0.00 C ATOM 1113 O GLU A 76 -4.993 1.359 -7.303 1.00 0.00 O ATOM 1114 CB GLU A 76 -2.990 0.994 -9.469 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.335 2.365 -9.489 1.00 0.00 C ATOM 1116 CD GLU A 76 -1.824 2.747 -10.865 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -0.996 1.994 -11.420 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -2.251 3.799 -11.386 1.00 0.00 O ATOM 0 H GLU A 76 -4.461 -1.141 -7.925 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.944 0.280 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.482 0.347 -10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.023 1.089 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.054 3.112 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.506 2.378 -8.781 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.147 1.610 -6.043 1.00 0.00 N ATOM 1126 CA TYR A 77 -3.818 2.406 -5.023 1.00 0.00 C ATOM 1127 C TYR A 77 -3.491 3.887 -5.185 1.00 0.00 C ATOM 1128 O TYR A 77 -2.325 4.283 -5.158 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.412 1.932 -3.626 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.004 0.594 -3.245 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.427 -0.593 -3.681 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.140 0.516 -2.448 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -3.965 -1.817 -3.336 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.684 -0.704 -2.097 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.093 -1.868 -2.543 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.631 -3.086 -2.196 1.00 0.00 O ATOM 0 H TYR A 77 -2.156 1.447 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.893 2.274 -5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.325 1.867 -3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.721 2.678 -2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.543 -0.557 -4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.605 1.425 -2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.505 -2.730 -3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.567 -0.746 -1.477 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.493 -3.725 -2.926 1.00 0.00 H new ATOM 1146 N SER A 78 -4.528 4.701 -5.353 1.00 0.00 N ATOM 1147 CA SER A 78 -4.352 6.139 -5.522 1.00 0.00 C ATOM 1148 C SER A 78 -4.879 6.898 -4.308 1.00 0.00 C ATOM 1149 O SER A 78 -5.983 6.634 -3.829 1.00 0.00 O ATOM 1150 CB SER A 78 -5.068 6.616 -6.787 1.00 0.00 C ATOM 1151 OG SER A 78 -4.720 5.816 -7.903 1.00 0.00 O ATOM 0 H SER A 78 -5.499 4.389 -5.376 1.00 0.00 H new ATOM 0 HA SER A 78 -3.285 6.341 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.147 6.581 -6.633 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.808 7.656 -6.986 1.00 0.00 H new ATOM 0 HG SER A 78 -3.856 6.111 -8.260 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.084 7.840 -3.816 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.469 8.638 -2.657 1.00 0.00 C ATOM 1159 C CYS A 79 -4.666 10.100 -3.045 1.00 0.00 C ATOM 1160 O CYS A 79 -3.719 10.784 -3.433 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.408 8.527 -1.561 1.00 0.00 C ATOM 1162 SG CYS A 79 -4.011 8.940 0.093 1.00 0.00 S ATOM 0 H CYS A 79 -3.168 8.071 -4.201 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.415 8.251 -2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.017 7.510 -1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.575 9.186 -1.808 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.115 7.854 0.801 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.903 10.573 -2.938 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.226 11.954 -3.277 1.00 0.00 C ATOM 1170 C VAL A 80 -6.517 12.774 -2.026 1.00 0.00 C ATOM 1171 O VAL A 80 -7.370 12.408 -1.216 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.440 12.031 -4.222 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.409 13.321 -5.027 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -7.476 10.820 -5.142 1.00 0.00 C ATOM 0 H VAL A 80 -6.699 10.020 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.354 12.367 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.348 12.029 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.274 13.358 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.435 14.174 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.496 13.357 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.340 10.891 -5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.564 10.789 -5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.550 9.911 -4.545 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.805 13.885 -1.874 1.00 0.00 N ATOM 1185 CA CYS A 81 -5.986 14.758 -0.720 1.00 0.00 C ATOM 1186 C CYS A 81 -6.739 16.026 -1.111 1.00 0.00 C ATOM 1187 O CYS A 81 -7.618 16.487 -0.384 1.00 0.00 O ATOM 1188 CB CYS A 81 -4.631 15.122 -0.111 1.00 0.00 C ATOM 1189 SG CYS A 81 -4.734 16.254 1.296 1.00 0.00 S ATOM 0 H CYS A 81 -5.097 14.203 -2.536 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.576 14.220 0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.131 14.208 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.008 15.574 -0.882 1.00 0.00 H new ATOM 0 HG CYS A 81 -5.259 15.636 2.312 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.385 16.586 -2.263 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.036 17.797 -2.730 1.00 0.00 C ATOM 1197 C GLY A 82 -6.729 18.096 -4.184 1.00 0.00 C ATOM 1198 O GLY A 82 -7.518 17.771 -5.070 1.00 0.00 O ATOM 0 H GLY A 82 -5.659 16.223 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.114 17.699 -2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.717 18.638 -2.114 1.00 0.00 H new ATOM 1202 N GLN A 83 -5.581 18.720 -4.428 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.174 19.066 -5.785 1.00 0.00 C ATOM 1204 C GLN A 83 -4.213 18.023 -6.347 1.00 0.00 C ATOM 1205 O GLN A 83 -4.232 17.729 -7.542 1.00 0.00 O ATOM 1206 CB GLN A 83 -4.517 20.447 -5.807 1.00 0.00 C ATOM 1207 CG GLN A 83 -5.513 21.593 -5.875 1.00 0.00 C ATOM 1208 CD GLN A 83 -6.001 21.860 -7.285 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -6.742 21.062 -7.859 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -5.587 22.987 -7.852 1.00 0.00 N ATOM 0 H GLN A 83 -4.917 18.996 -3.705 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.066 19.087 -6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.903 20.563 -4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.847 20.508 -6.664 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.367 21.366 -5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.049 22.496 -5.478 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.973 23.620 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.883 23.220 -8.800 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.374 17.469 -5.478 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.405 16.460 -5.889 1.00 0.00 C ATOM 1221 C GLU A 84 -2.969 15.055 -5.702 1.00 0.00 C ATOM 1222 O GLU A 84 -3.980 14.866 -5.025 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.108 16.612 -5.091 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.471 17.985 -5.220 1.00 0.00 C ATOM 1225 CD GLU A 84 -0.677 18.597 -6.592 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -0.077 18.090 -7.563 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -1.437 19.582 -6.695 1.00 0.00 O ATOM 0 H GLU A 84 -3.346 17.702 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.191 16.608 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.313 16.413 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.396 15.858 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.890 18.648 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.597 17.906 -5.018 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.309 14.073 -6.307 1.00 0.00 N ATOM 1235 CA ARG A 85 -2.745 12.685 -6.208 1.00 0.00 C ATOM 1236 C ARG A 85 -1.615 11.732 -6.587 1.00 0.00 C ATOM 1237 O ARG A 85 -1.021 11.851 -7.659 1.00 0.00 O ATOM 1238 CB ARG A 85 -3.956 12.444 -7.112 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.165 10.982 -7.471 1.00 0.00 C ATOM 1240 CD ARG A 85 -5.248 10.817 -8.526 1.00 0.00 C ATOM 1241 NE ARG A 85 -4.726 10.986 -9.879 1.00 0.00 N ATOM 1242 CZ ARG A 85 -5.493 11.037 -10.962 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -6.810 10.933 -10.851 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -4.942 11.193 -12.159 1.00 0.00 N ATOM 0 H ARG A 85 -1.471 14.213 -6.871 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.028 12.491 -5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.851 12.819 -6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.835 13.021 -8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.230 10.559 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.438 10.422 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.698 9.828 -8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.040 11.545 -8.350 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.717 11.070 -9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.237 10.814 -9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.397 10.973 -11.684 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.929 11.274 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.531 11.232 -12.991 1.00 0.00 H new ATOM 1258 N THR A 86 -1.324 10.786 -5.700 1.00 0.00 N ATOM 1259 CA THR A 86 -0.265 9.813 -5.941 1.00 0.00 C ATOM 1260 C THR A 86 -0.842 8.442 -6.271 1.00 0.00 C ATOM 1261 O THR A 86 -2.041 8.208 -6.114 1.00 0.00 O ATOM 1262 CB THR A 86 0.667 9.685 -4.721 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.783 8.848 -5.043 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.079 9.107 -3.528 1.00 0.00 C ATOM 0 H THR A 86 -1.806 10.673 -4.808 1.00 0.00 H new ATOM 0 HA THR A 86 0.310 10.176 -6.793 1.00 0.00 H new ATOM 0 HB THR A 86 1.024 10.681 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.372 8.773 -4.263 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.600 9.026 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.910 9.762 -3.267 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.462 8.118 -3.782 1.00 0.00 H new ATOM 1272 N SER A 87 0.017 7.538 -6.730 1.00 0.00 N ATOM 1273 CA SER A 87 -0.409 6.190 -7.086 1.00 0.00 C ATOM 1274 C SER A 87 0.713 5.184 -6.846 1.00 0.00 C ATOM 1275 O SER A 87 1.893 5.527 -6.911 1.00 0.00 O ATOM 1276 CB SER A 87 -0.848 6.141 -8.551 1.00 0.00 C ATOM 1277 OG SER A 87 -1.790 7.161 -8.835 1.00 0.00 O ATOM 0 H SER A 87 1.013 7.715 -6.864 1.00 0.00 H new ATOM 0 HA SER A 87 -1.254 5.924 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.022 6.254 -9.199 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.285 5.167 -8.771 1.00 0.00 H new ATOM 0 HG SER A 87 -2.054 7.109 -9.777 1.00 0.00 H new ATOM 1283 N ALA A 88 0.335 3.941 -6.568 1.00 0.00 N ATOM 1284 CA ALA A 88 1.308 2.884 -6.319 1.00 0.00 C ATOM 1285 C ALA A 88 0.723 1.513 -6.640 1.00 0.00 C ATOM 1286 O ALA A 88 -0.433 1.229 -6.324 1.00 0.00 O ATOM 1287 CB ALA A 88 1.783 2.933 -4.875 1.00 0.00 C ATOM 0 H ALA A 88 -0.638 3.641 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 88 2.162 3.048 -6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.509 2.138 -4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.249 3.899 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.932 2.797 -4.207 1.00 0.00 H new ATOM 1293 N THR A 89 1.529 0.664 -7.272 1.00 0.00 N ATOM 1294 CA THR A 89 1.090 -0.677 -7.637 1.00 0.00 C ATOM 1295 C THR A 89 1.229 -1.640 -6.464 1.00 0.00 C ATOM 1296 O THR A 89 2.276 -1.702 -5.819 1.00 0.00 O ATOM 1297 CB THR A 89 1.893 -1.224 -8.833 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.728 -0.365 -9.967 1.00 0.00 O ATOM 1299 CG2 THR A 89 1.443 -2.633 -9.188 1.00 0.00 C ATOM 0 H THR A 89 2.488 0.882 -7.541 1.00 0.00 H new ATOM 0 HA THR A 89 0.040 -0.600 -7.918 1.00 0.00 H new ATOM 0 HB THR A 89 2.946 -1.256 -8.552 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.243 -0.718 -10.723 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.024 -2.998 -10.035 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.597 -3.290 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.385 -2.622 -9.451 1.00 0.00 H new ATOM 1307 N LEU A 90 0.167 -2.390 -6.191 1.00 0.00 N ATOM 1308 CA LEU A 90 0.170 -3.352 -5.095 1.00 0.00 C ATOM 1309 C LEU A 90 0.310 -4.777 -5.620 1.00 0.00 C ATOM 1310 O LEU A 90 -0.391 -5.180 -6.548 1.00 0.00 O ATOM 1311 CB LEU A 90 -1.114 -3.223 -4.273 1.00 0.00 C ATOM 1312 CG LEU A 90 -1.055 -3.769 -2.846 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.568 -5.209 -2.845 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -0.157 -2.899 -1.979 1.00 0.00 C ATOM 0 H LEU A 90 -0.708 -2.350 -6.714 1.00 0.00 H new ATOM 0 HA LEU A 90 1.026 -3.134 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.387 -2.169 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.915 -3.737 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.061 -3.748 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.533 -5.580 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.251 -5.824 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.429 -5.256 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.127 -3.302 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.850 -2.888 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.550 -1.883 -1.953 1.00 0.00 H new ATOM 1326 N THR A 91 1.221 -5.537 -5.019 1.00 0.00 N ATOM 1327 CA THR A 91 1.452 -6.917 -5.426 1.00 0.00 C ATOM 1328 C THR A 91 1.078 -7.888 -4.312 1.00 0.00 C ATOM 1329 O THR A 91 1.485 -7.717 -3.163 1.00 0.00 O ATOM 1330 CB THR A 91 2.924 -7.147 -5.819 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.297 -6.247 -6.868 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.144 -8.582 -6.274 1.00 0.00 C ATOM 0 H THR A 91 1.810 -5.220 -4.249 1.00 0.00 H new ATOM 0 HA THR A 91 0.818 -7.102 -6.293 1.00 0.00 H new ATOM 0 HB THR A 91 3.545 -6.961 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.234 -6.398 -7.111 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.190 -8.721 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.886 -9.264 -5.464 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.513 -8.790 -7.138 1.00 0.00 H new ATOM 1340 N VAL A 92 0.301 -8.909 -4.660 1.00 0.00 N ATOM 1341 CA VAL A 92 -0.126 -9.910 -3.689 1.00 0.00 C ATOM 1342 C VAL A 92 0.156 -11.321 -4.193 1.00 0.00 C ATOM 1343 O VAL A 92 -0.575 -11.849 -5.031 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.628 -9.780 -3.374 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -2.041 -10.789 -2.313 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.958 -8.363 -2.930 1.00 0.00 C ATOM 0 H VAL A 92 -0.046 -9.065 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 92 0.446 -9.732 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.192 -9.993 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.105 -10.682 -2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.842 -11.798 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.472 -10.611 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.023 -8.289 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.386 -8.120 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.701 -7.663 -3.725 1.00 0.00 H new ATOM 1356 N ARG A 93 1.220 -11.926 -3.677 1.00 0.00 N ATOM 1357 CA ARG A 93 1.600 -13.276 -4.075 1.00 0.00 C ATOM 1358 C ARG A 93 0.605 -14.301 -3.538 1.00 0.00 C ATOM 1359 O ARG A 93 0.582 -14.590 -2.342 1.00 0.00 O ATOM 1360 CB ARG A 93 3.007 -13.602 -3.572 1.00 0.00 C ATOM 1361 CG ARG A 93 4.084 -12.697 -4.147 1.00 0.00 C ATOM 1362 CD ARG A 93 4.435 -13.085 -5.575 1.00 0.00 C ATOM 1363 NE ARG A 93 5.279 -14.276 -5.627 1.00 0.00 N ATOM 1364 CZ ARG A 93 5.550 -14.936 -6.747 1.00 0.00 C ATOM 1365 NH1 ARG A 93 5.047 -14.523 -7.902 1.00 0.00 N ATOM 1366 NH2 ARG A 93 6.327 -16.011 -6.714 1.00 0.00 N ATOM 0 H ARG A 93 1.835 -11.503 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 93 1.592 -13.323 -5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.022 -13.525 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.242 -14.637 -3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.742 -11.662 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.977 -12.751 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.519 -13.265 -6.137 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.949 -12.255 -6.060 1.00 0.00 H new ATOM 0 HE ARG A 93 5.682 -14.620 -4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.450 -13.696 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.257 -15.032 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.717 -16.331 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.534 -16.517 -7.575 1.00 0.00 H new ATOM 1380 N ALA A 94 -0.214 -14.847 -4.430 1.00 0.00 N ATOM 1381 CA ALA A 94 -1.209 -15.840 -4.046 1.00 0.00 C ATOM 1382 C ALA A 94 -0.563 -17.009 -3.311 1.00 0.00 C ATOM 1383 O ALA A 94 0.320 -17.681 -3.846 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.961 -16.337 -5.273 1.00 0.00 C ATOM 0 H ALA A 94 -0.208 -14.618 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.917 -15.364 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.701 -17.078 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.463 -15.499 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.258 -16.790 -5.972 1.00 0.00 H new ATOM 1390 N LEU A 95 -1.006 -17.247 -2.081 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.470 -18.335 -1.271 1.00 0.00 C ATOM 1392 C LEU A 95 -0.566 -19.664 -2.013 1.00 0.00 C ATOM 1393 O LEU A 95 -1.487 -19.902 -2.794 1.00 0.00 O ATOM 1394 CB LEU A 95 -1.219 -18.424 0.059 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.786 -17.435 1.142 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.812 -17.387 2.263 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.585 -17.809 1.687 1.00 0.00 C ATOM 0 H LEU A 95 -1.735 -16.701 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 95 0.581 -18.125 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.281 -18.277 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.103 -19.434 0.451 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.720 -16.443 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.486 -16.678 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.775 -17.072 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.911 -18.377 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.878 -17.095 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.545 -18.810 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.315 -17.791 0.878 1.00 0.00 H new