USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 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 30 CYS SG : rot -77:sc= 0.871 USER MOD Set 1.2: A 79 CYS SG : rot -170:sc= 0.504 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.984 K(o=0.27,f=-1.4) USER MOD Set 2.2: A 62 CYS SG : rot 80:sc= -0.71 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0967 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -124:sc= -1.84 (180deg=-2.34) USER MOD Single : A 33 SER OG : rot -31:sc= 0.384 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.628 F(o=-2.1,f=-0.63) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0676 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00839 USER MOD Single : A 65 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.25) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -139:sc= -0.0836 (180deg=-0.375) USER MOD Single : A 77 TYR OH : rot -28:sc= -0.326 USER MOD Single : A 81 CYS SG : rot 90:sc= -1.74 USER MOD Single : A 83 GLN : amide:sc= -0.83 K(o=-0.83,f=-3.5) USER MOD Single : A 86 THR OG1 : rot 160:sc= -0.449 USER MOD Single : A 87 SER OG : rot 119:sc= 0.00167 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 ALA A 9 1.345 16.467 -1.916 1.00 0.00 N ATOM 81 CA ALA A 9 2.140 15.547 -1.111 1.00 0.00 C ATOM 82 C ALA A 9 3.227 14.883 -1.950 1.00 0.00 C ATOM 83 O ALA A 9 3.062 14.684 -3.154 1.00 0.00 O ATOM 84 CB ALA A 9 1.245 14.494 -0.475 1.00 0.00 C ATOM 0 HA ALA A 9 2.626 16.120 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.852 13.814 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.508 14.981 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.733 13.932 -1.256 1.00 0.00 H new ATOM 90 N LYS A 10 4.339 14.544 -1.307 1.00 0.00 N ATOM 91 CA LYS A 10 5.454 13.902 -1.992 1.00 0.00 C ATOM 92 C LYS A 10 5.902 12.648 -1.247 1.00 0.00 C ATOM 93 O LYS A 10 6.101 12.674 -0.032 1.00 0.00 O ATOM 94 CB LYS A 10 6.627 14.876 -2.124 1.00 0.00 C ATOM 95 CG LYS A 10 6.261 16.178 -2.814 1.00 0.00 C ATOM 96 CD LYS A 10 7.456 16.784 -3.532 1.00 0.00 C ATOM 97 CE LYS A 10 7.022 17.801 -4.576 1.00 0.00 C ATOM 98 NZ LYS A 10 8.078 18.821 -4.829 1.00 0.00 N ATOM 0 H LYS A 10 4.492 14.703 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 10 5.117 13.611 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.018 15.098 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.429 14.392 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.458 15.999 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.880 16.886 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.113 17.264 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.033 15.993 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.783 17.287 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.110 18.297 -4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.744 19.496 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.288 19.329 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.940 18.351 -5.171 1.00 0.00 H new ATOM 112 N PHE A 11 6.060 11.553 -1.983 1.00 0.00 N ATOM 113 CA PHE A 11 6.486 10.290 -1.392 1.00 0.00 C ATOM 114 C PHE A 11 7.914 10.389 -0.864 1.00 0.00 C ATOM 115 O PHE A 11 8.853 10.632 -1.623 1.00 0.00 O ATOM 116 CB PHE A 11 6.388 9.162 -2.421 1.00 0.00 C ATOM 117 CG PHE A 11 4.976 8.824 -2.807 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.358 9.473 -3.863 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.267 7.856 -2.114 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.059 9.164 -4.220 1.00 0.00 C ATOM 121 CE2 PHE A 11 2.968 7.542 -2.466 1.00 0.00 C ATOM 122 CZ PHE A 11 2.364 8.197 -3.521 1.00 0.00 C ATOM 0 H PHE A 11 5.899 11.515 -2.990 1.00 0.00 H new ATOM 0 HA PHE A 11 5.823 10.068 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.942 9.447 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.869 8.271 -2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.897 10.229 -4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.735 7.341 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.588 9.678 -5.045 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.426 6.786 -1.917 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.349 7.953 -3.799 1.00 0.00 H new ATOM 132 N THR A 12 8.070 10.201 0.443 1.00 0.00 N ATOM 133 CA THR A 12 9.382 10.271 1.073 1.00 0.00 C ATOM 134 C THR A 12 10.125 8.946 0.946 1.00 0.00 C ATOM 135 O THR A 12 11.330 8.922 0.697 1.00 0.00 O ATOM 136 CB THR A 12 9.270 10.642 2.564 1.00 0.00 C ATOM 137 OG1 THR A 12 8.108 10.031 3.135 1.00 0.00 O ATOM 138 CG2 THR A 12 9.195 12.151 2.742 1.00 0.00 C ATOM 0 H THR A 12 7.304 9.999 1.085 1.00 0.00 H new ATOM 0 HA THR A 12 9.941 11.049 0.553 1.00 0.00 H new ATOM 0 HB THR A 12 10.161 10.276 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.045 10.270 4.083 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.116 12.389 3.803 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.095 12.611 2.333 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.320 12.536 2.218 1.00 0.00 H new ATOM 146 N GLU A 13 9.398 7.846 1.117 1.00 0.00 N ATOM 147 CA GLU A 13 9.990 6.517 1.020 1.00 0.00 C ATOM 148 C GLU A 13 9.533 5.808 -0.251 1.00 0.00 C ATOM 149 O GLU A 13 10.338 5.221 -0.972 1.00 0.00 O ATOM 150 CB GLU A 13 9.620 5.680 2.246 1.00 0.00 C ATOM 151 CG GLU A 13 10.346 6.100 3.513 1.00 0.00 C ATOM 152 CD GLU A 13 11.776 5.597 3.560 1.00 0.00 C ATOM 153 OE1 GLU A 13 11.991 4.395 3.298 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.679 6.405 3.860 1.00 0.00 O ATOM 0 H GLU A 13 8.399 7.849 1.323 1.00 0.00 H new ATOM 0 HA GLU A 13 11.073 6.632 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.545 5.751 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.842 4.633 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.345 7.188 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.804 5.723 4.380 1.00 0.00 H new ATOM 161 N GLY A 14 8.232 5.868 -0.519 1.00 0.00 N ATOM 162 CA GLY A 14 7.688 5.228 -1.703 1.00 0.00 C ATOM 163 C GLY A 14 7.424 3.750 -1.493 1.00 0.00 C ATOM 164 O GLY A 14 7.786 3.188 -0.458 1.00 0.00 O ATOM 0 H GLY A 14 7.545 6.348 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.759 5.723 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.383 5.356 -2.533 1.00 0.00 H new ATOM 168 N LEU A 15 6.792 3.119 -2.475 1.00 0.00 N ATOM 169 CA LEU A 15 6.478 1.696 -2.394 1.00 0.00 C ATOM 170 C LEU A 15 7.743 0.852 -2.508 1.00 0.00 C ATOM 171 O LEU A 15 8.822 1.369 -2.797 1.00 0.00 O ATOM 172 CB LEU A 15 5.490 1.307 -3.495 1.00 0.00 C ATOM 173 CG LEU A 15 4.025 1.659 -3.237 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.227 1.605 -4.531 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.426 0.721 -2.200 1.00 0.00 C ATOM 0 H LEU A 15 6.486 3.570 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 15 6.022 1.505 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.801 1.789 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.561 0.231 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 15 3.979 2.676 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.187 1.858 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.641 2.318 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.280 0.600 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.383 0.986 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.485 -0.306 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.981 0.809 -1.266 1.00 0.00 H new ATOM 187 N ARG A 16 7.602 -0.450 -2.281 1.00 0.00 N ATOM 188 CA ARG A 16 8.733 -1.366 -2.360 1.00 0.00 C ATOM 189 C ARG A 16 8.264 -2.784 -2.672 1.00 0.00 C ATOM 190 O ARG A 16 7.362 -3.307 -2.019 1.00 0.00 O ATOM 191 CB ARG A 16 9.519 -1.354 -1.047 1.00 0.00 C ATOM 192 CG ARG A 16 8.736 -1.901 0.135 1.00 0.00 C ATOM 193 CD ARG A 16 9.299 -1.399 1.456 1.00 0.00 C ATOM 194 NE ARG A 16 10.375 -2.253 1.952 1.00 0.00 N ATOM 195 CZ ARG A 16 10.168 -3.412 2.569 1.00 0.00 C ATOM 196 NH1 ARG A 16 8.933 -3.853 2.762 1.00 0.00 N ATOM 197 NH2 ARG A 16 11.199 -4.133 2.992 1.00 0.00 N ATOM 0 H ARG A 16 6.716 -0.894 -2.041 1.00 0.00 H new ATOM 0 HA ARG A 16 9.384 -1.031 -3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.429 -1.941 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.827 -0.332 -0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.690 -1.606 0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.762 -2.991 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.672 -0.383 1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.501 -1.355 2.197 1.00 0.00 H new ATOM 0 HE ARG A 16 11.337 -1.943 1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.138 -3.303 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.777 -4.743 3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.151 -3.798 2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.039 -5.022 3.465 1.00 0.00 H new ATOM 211 N ASN A 17 8.882 -3.399 -3.675 1.00 0.00 N ATOM 212 CA ASN A 17 8.527 -4.756 -4.074 1.00 0.00 C ATOM 213 C ASN A 17 8.541 -5.698 -2.873 1.00 0.00 C ATOM 214 O ASN A 17 9.288 -5.490 -1.918 1.00 0.00 O ATOM 215 CB ASN A 17 9.494 -5.265 -5.145 1.00 0.00 C ATOM 216 CG ASN A 17 10.699 -5.968 -4.550 1.00 0.00 C ATOM 217 OD1 ASN A 17 10.791 -7.195 -4.577 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.630 -5.190 -4.009 1.00 0.00 N ATOM 0 H ASN A 17 9.631 -2.979 -4.226 1.00 0.00 H new ATOM 0 HA ASN A 17 7.518 -4.734 -4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.968 -5.951 -5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.831 -4.426 -5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.464 -5.606 -3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.511 -4.177 -4.009 1.00 0.00 H new ATOM 225 N GLU A 18 7.708 -6.733 -2.930 1.00 0.00 N ATOM 226 CA GLU A 18 7.625 -7.706 -1.848 1.00 0.00 C ATOM 227 C GLU A 18 6.976 -9.000 -2.328 1.00 0.00 C ATOM 228 O GLU A 18 6.580 -9.115 -3.488 1.00 0.00 O ATOM 229 CB GLU A 18 6.830 -7.129 -0.674 1.00 0.00 C ATOM 230 CG GLU A 18 5.332 -7.081 -0.919 1.00 0.00 C ATOM 231 CD GLU A 18 4.589 -6.315 0.159 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.120 -5.287 0.629 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.477 -6.744 0.533 1.00 0.00 O ATOM 0 H GLU A 18 7.082 -6.919 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 18 8.639 -7.930 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.025 -7.728 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.188 -6.121 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.141 -6.617 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.943 -8.098 -0.970 1.00 0.00 H new ATOM 240 N GLU A 19 6.870 -9.973 -1.427 1.00 0.00 N ATOM 241 CA GLU A 19 6.270 -11.259 -1.760 1.00 0.00 C ATOM 242 C GLU A 19 5.315 -11.714 -0.661 1.00 0.00 C ATOM 243 O GLU A 19 5.237 -11.100 0.402 1.00 0.00 O ATOM 244 CB GLU A 19 7.358 -12.314 -1.974 1.00 0.00 C ATOM 245 CG GLU A 19 8.207 -12.572 -0.740 1.00 0.00 C ATOM 246 CD GLU A 19 8.885 -11.317 -0.226 1.00 0.00 C ATOM 247 OE1 GLU A 19 9.786 -10.802 -0.920 1.00 0.00 O ATOM 248 OE2 GLU A 19 8.514 -10.850 0.872 1.00 0.00 O ATOM 0 H GLU A 19 7.192 -9.894 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 19 5.703 -11.139 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.890 -13.248 -2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.006 -11.995 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.580 -12.990 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.965 -13.320 -0.975 1.00 0.00 H new ATOM 255 N ALA A 20 4.588 -12.795 -0.927 1.00 0.00 N ATOM 256 CA ALA A 20 3.639 -13.334 0.039 1.00 0.00 C ATOM 257 C ALA A 20 3.156 -14.718 -0.379 1.00 0.00 C ATOM 258 O ALA A 20 3.605 -15.266 -1.386 1.00 0.00 O ATOM 259 CB ALA A 20 2.458 -12.388 0.202 1.00 0.00 C ATOM 0 H ALA A 20 4.639 -13.314 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 20 4.149 -13.430 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.757 -12.803 0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.813 -11.420 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.957 -12.263 -0.758 1.00 0.00 H new ATOM 265 N VAL A 21 2.238 -15.281 0.401 1.00 0.00 N ATOM 266 CA VAL A 21 1.694 -16.602 0.111 1.00 0.00 C ATOM 267 C VAL A 21 0.235 -16.512 -0.323 1.00 0.00 C ATOM 268 O VAL A 21 -0.482 -15.590 0.065 1.00 0.00 O ATOM 269 CB VAL A 21 1.798 -17.533 1.333 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.342 -18.939 0.975 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.221 -17.546 1.872 1.00 0.00 C ATOM 0 H VAL A 21 1.856 -14.842 1.239 1.00 0.00 H new ATOM 0 HA VAL A 21 2.288 -17.017 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 21 1.140 -17.153 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.423 -19.582 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.305 -18.911 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.971 -19.333 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.277 -18.209 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.900 -17.901 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.506 -16.537 2.170 1.00 0.00 H new ATOM 281 N GLU A 22 -0.197 -17.477 -1.129 1.00 0.00 N ATOM 282 CA GLU A 22 -1.572 -17.506 -1.616 1.00 0.00 C ATOM 283 C GLU A 22 -2.557 -17.630 -0.457 1.00 0.00 C ATOM 284 O GLU A 22 -2.404 -18.487 0.413 1.00 0.00 O ATOM 285 CB GLU A 22 -1.766 -18.668 -2.592 1.00 0.00 C ATOM 286 CG GLU A 22 -1.474 -18.304 -4.038 1.00 0.00 C ATOM 287 CD GLU A 22 -2.247 -19.160 -5.022 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.833 -20.315 -5.255 1.00 0.00 O ATOM 289 OE2 GLU A 22 -3.265 -18.676 -5.559 1.00 0.00 O ATOM 0 H GLU A 22 0.384 -18.248 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.766 -16.568 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.117 -19.492 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.792 -19.027 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.721 -17.255 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.406 -18.413 -4.228 1.00 0.00 H new ATOM 296 N GLY A 23 -3.568 -16.767 -0.452 1.00 0.00 N ATOM 297 CA GLY A 23 -4.563 -16.796 0.604 1.00 0.00 C ATOM 298 C GLY A 23 -4.236 -15.841 1.735 1.00 0.00 C ATOM 299 O GLY A 23 -5.115 -15.458 2.506 1.00 0.00 O ATOM 0 H GLY A 23 -3.716 -16.048 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.538 -16.541 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.640 -17.809 0.999 1.00 0.00 H new ATOM 303 N ALA A 24 -2.967 -15.458 1.836 1.00 0.00 N ATOM 304 CA ALA A 24 -2.526 -14.542 2.880 1.00 0.00 C ATOM 305 C ALA A 24 -2.878 -13.100 2.531 1.00 0.00 C ATOM 306 O ALA A 24 -3.419 -12.824 1.459 1.00 0.00 O ATOM 307 CB ALA A 24 -1.028 -14.682 3.107 1.00 0.00 C ATOM 0 H ALA A 24 -2.226 -15.768 1.207 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.048 -14.802 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.712 -13.992 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.800 -15.704 3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.497 -14.451 2.184 1.00 0.00 H new ATOM 313 N THR A 25 -2.569 -12.183 3.442 1.00 0.00 N ATOM 314 CA THR A 25 -2.854 -10.769 3.231 1.00 0.00 C ATOM 315 C THR A 25 -1.568 -9.967 3.070 1.00 0.00 C ATOM 316 O THR A 25 -0.868 -9.697 4.045 1.00 0.00 O ATOM 317 CB THR A 25 -3.671 -10.181 4.396 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.937 -10.843 4.491 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.887 -8.687 4.206 1.00 0.00 C ATOM 0 H THR A 25 -2.121 -12.394 4.334 1.00 0.00 H new ATOM 0 HA THR A 25 -3.440 -10.698 2.315 1.00 0.00 H new ATOM 0 HB THR A 25 -3.111 -10.337 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.449 -10.464 5.236 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.467 -8.294 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.922 -8.182 4.165 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.428 -8.513 3.276 1.00 0.00 H new ATOM 327 N ALA A 26 -1.263 -9.588 1.833 1.00 0.00 N ATOM 328 CA ALA A 26 -0.062 -8.814 1.546 1.00 0.00 C ATOM 329 C ALA A 26 0.011 -7.568 2.422 1.00 0.00 C ATOM 330 O ALA A 26 -0.956 -7.216 3.098 1.00 0.00 O ATOM 331 CB ALA A 26 -0.022 -8.429 0.074 1.00 0.00 C ATOM 0 H ALA A 26 -1.831 -9.805 1.014 1.00 0.00 H new ATOM 0 HA ALA A 26 0.804 -9.436 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.880 -7.851 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.019 -9.331 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.899 -7.829 -0.169 1.00 0.00 H new ATOM 337 N MET A 27 1.163 -6.906 2.407 1.00 0.00 N ATOM 338 CA MET A 27 1.361 -5.699 3.201 1.00 0.00 C ATOM 339 C MET A 27 2.165 -4.662 2.423 1.00 0.00 C ATOM 340 O MET A 27 3.368 -4.822 2.215 1.00 0.00 O ATOM 341 CB MET A 27 2.075 -6.036 4.511 1.00 0.00 C ATOM 342 CG MET A 27 2.497 -4.811 5.306 1.00 0.00 C ATOM 343 SD MET A 27 1.153 -4.128 6.295 1.00 0.00 S ATOM 344 CE MET A 27 0.448 -2.953 5.143 1.00 0.00 C ATOM 0 H MET A 27 1.973 -7.185 1.854 1.00 0.00 H new ATOM 0 HA MET A 27 0.381 -5.278 3.427 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.417 -6.649 5.126 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.957 -6.637 4.290 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.327 -5.076 5.961 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.864 -4.047 4.621 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.436 -1.962 5.596 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.049 -2.929 4.234 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.571 -3.252 4.897 1.00 0.00 H new ATOM 354 N LEU A 28 1.492 -3.599 1.994 1.00 0.00 N ATOM 355 CA LEU A 28 2.144 -2.536 1.238 1.00 0.00 C ATOM 356 C LEU A 28 1.895 -1.177 1.885 1.00 0.00 C ATOM 357 O LEU A 28 0.750 -0.748 2.029 1.00 0.00 O ATOM 358 CB LEU A 28 1.639 -2.526 -0.206 1.00 0.00 C ATOM 359 CG LEU A 28 1.972 -3.763 -1.041 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.910 -3.990 -2.106 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.347 -3.623 -1.678 1.00 0.00 C ATOM 0 H LEU A 28 0.496 -3.451 2.157 1.00 0.00 H new ATOM 0 HA LEU A 28 3.217 -2.728 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.556 -2.403 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.052 -1.651 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 28 1.986 -4.630 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.164 -4.874 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.059 -4.136 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.863 -3.122 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.567 -4.513 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.361 -2.746 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.100 -3.510 -0.898 1.00 0.00 H new ATOM 373 N TRP A 29 2.974 -0.504 2.269 1.00 0.00 N ATOM 374 CA TRP A 29 2.872 0.808 2.899 1.00 0.00 C ATOM 375 C TRP A 29 3.760 1.823 2.188 1.00 0.00 C ATOM 376 O TRP A 29 4.710 1.453 1.496 1.00 0.00 O ATOM 377 CB TRP A 29 3.259 0.719 4.376 1.00 0.00 C ATOM 378 CG TRP A 29 4.716 0.443 4.592 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.306 -0.781 4.734 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.766 1.411 4.694 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.660 -0.631 4.917 1.00 0.00 N ATOM 382 CE2 TRP A 29 6.967 0.703 4.896 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.809 2.806 4.632 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.195 1.345 5.037 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.028 3.442 4.772 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.207 2.712 4.972 1.00 0.00 C ATOM 0 H TRP A 29 3.929 -0.845 2.155 1.00 0.00 H new ATOM 0 HA TRP A 29 1.837 1.141 2.822 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.996 1.654 4.870 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.673 -0.068 4.851 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.785 -1.727 4.707 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.328 -1.391 5.047 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.906 3.377 4.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.105 0.784 5.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.073 4.520 4.726 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.144 3.239 5.077 1.00 0.00 H new ATOM 397 N CYS A 30 3.446 3.102 2.362 1.00 0.00 N ATOM 398 CA CYS A 30 4.216 4.170 1.735 1.00 0.00 C ATOM 399 C CYS A 30 4.064 5.476 2.509 1.00 0.00 C ATOM 400 O CYS A 30 2.954 5.873 2.863 1.00 0.00 O ATOM 401 CB CYS A 30 3.769 4.368 0.286 1.00 0.00 C ATOM 402 SG CYS A 30 1.978 4.503 0.078 1.00 0.00 S ATOM 0 H CYS A 30 2.664 3.424 2.932 1.00 0.00 H new ATOM 0 HA CYS A 30 5.267 3.881 1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.239 5.269 -0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.132 3.532 -0.312 1.00 0.00 H new ATOM 0 HG CYS A 30 1.442 3.322 0.159 1.00 0.00 H new ATOM 408 N GLU A 31 5.187 6.137 2.771 1.00 0.00 N ATOM 409 CA GLU A 31 5.178 7.397 3.505 1.00 0.00 C ATOM 410 C GLU A 31 5.115 8.584 2.549 1.00 0.00 C ATOM 411 O GLU A 31 5.448 8.464 1.369 1.00 0.00 O ATOM 412 CB GLU A 31 6.422 7.506 4.390 1.00 0.00 C ATOM 413 CG GLU A 31 6.237 6.913 5.776 1.00 0.00 C ATOM 414 CD GLU A 31 7.523 6.894 6.579 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.293 7.874 6.488 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.761 5.900 7.297 1.00 0.00 O ATOM 0 H GLU A 31 6.114 5.821 2.486 1.00 0.00 H new ATOM 0 HA GLU A 31 4.289 7.414 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.254 7.003 3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.697 8.556 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.485 7.488 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.855 5.896 5.684 1.00 0.00 H new ATOM 423 N LEU A 32 4.683 9.729 3.065 1.00 0.00 N ATOM 424 CA LEU A 32 4.575 10.940 2.258 1.00 0.00 C ATOM 425 C LEU A 32 5.095 12.153 3.023 1.00 0.00 C ATOM 426 O LEU A 32 5.328 12.085 4.230 1.00 0.00 O ATOM 427 CB LEU A 32 3.121 11.170 1.842 1.00 0.00 C ATOM 428 CG LEU A 32 2.304 9.915 1.534 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.819 10.183 1.727 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.581 9.432 0.118 1.00 0.00 C ATOM 0 H LEU A 32 4.402 9.845 4.039 1.00 0.00 H new ATOM 0 HA LEU A 32 5.186 10.808 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.619 11.720 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.114 11.810 0.959 1.00 0.00 H new ATOM 0 HG LEU A 32 2.604 9.131 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.254 9.278 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.634 10.480 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.504 10.983 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.991 8.538 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.310 10.213 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.641 9.198 0.014 1.00 0.00 H new ATOM 442 N SER A 33 5.272 13.262 2.313 1.00 0.00 N ATOM 443 CA SER A 33 5.766 14.491 2.925 1.00 0.00 C ATOM 444 C SER A 33 4.686 15.141 3.785 1.00 0.00 C ATOM 445 O SER A 33 4.937 16.131 4.473 1.00 0.00 O ATOM 446 CB SER A 33 6.233 15.470 1.846 1.00 0.00 C ATOM 447 OG SER A 33 6.766 16.649 2.425 1.00 0.00 O ATOM 0 H SER A 33 5.081 13.336 1.314 1.00 0.00 H new ATOM 0 HA SER A 33 6.611 14.236 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.989 14.994 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.396 15.726 1.196 1.00 0.00 H new ATOM 0 HG SER A 33 6.315 16.828 3.277 1.00 0.00 H new ATOM 453 N LYS A 34 3.484 14.578 3.741 1.00 0.00 N ATOM 454 CA LYS A 34 2.365 15.100 4.515 1.00 0.00 C ATOM 455 C LYS A 34 1.145 14.192 4.389 1.00 0.00 C ATOM 456 O LYS A 34 1.014 13.443 3.422 1.00 0.00 O ATOM 457 CB LYS A 34 2.011 16.514 4.050 1.00 0.00 C ATOM 458 CG LYS A 34 2.021 16.678 2.540 1.00 0.00 C ATOM 459 CD LYS A 34 1.072 17.777 2.092 1.00 0.00 C ATOM 460 CE LYS A 34 -0.334 17.241 1.868 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.352 18.328 1.887 1.00 0.00 N ATOM 0 H LYS A 34 3.260 13.759 3.176 1.00 0.00 H new ATOM 0 HA LYS A 34 2.665 15.133 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.023 16.775 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.717 17.219 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.032 16.910 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.737 15.737 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.046 18.566 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.443 18.226 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.376 16.721 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.571 16.508 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.297 17.922 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.330 18.808 2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.141 19.014 1.134 1.00 0.00 H new ATOM 475 N VAL A 35 0.254 14.266 5.373 1.00 0.00 N ATOM 476 CA VAL A 35 -0.957 13.453 5.370 1.00 0.00 C ATOM 477 C VAL A 35 -1.882 13.849 4.225 1.00 0.00 C ATOM 478 O VAL A 35 -2.417 14.957 4.201 1.00 0.00 O ATOM 479 CB VAL A 35 -1.721 13.581 6.701 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.803 12.516 6.800 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.761 13.488 7.877 1.00 0.00 C ATOM 0 H VAL A 35 0.348 14.880 6.182 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.643 12.418 5.238 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.203 14.558 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.332 12.622 7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.506 12.634 5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.346 11.528 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.318 13.580 8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.249 12.526 7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.027 14.291 7.812 1.00 0.00 H new ATOM 491 N ALA A 36 -2.067 12.936 3.278 1.00 0.00 N ATOM 492 CA ALA A 36 -2.930 13.188 2.131 1.00 0.00 C ATOM 493 C ALA A 36 -3.620 11.909 1.670 1.00 0.00 C ATOM 494 O ALA A 36 -3.114 10.801 1.855 1.00 0.00 O ATOM 495 CB ALA A 36 -2.128 13.798 0.991 1.00 0.00 C ATOM 0 H ALA A 36 -1.630 12.014 3.282 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.701 13.895 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.785 13.981 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.688 14.740 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.335 13.111 0.695 1.00 0.00 H new ATOM 501 N PRO A 37 -4.803 12.061 1.057 1.00 0.00 N ATOM 502 CA PRO A 37 -5.587 10.928 0.557 1.00 0.00 C ATOM 503 C PRO A 37 -4.937 10.259 -0.649 1.00 0.00 C ATOM 504 O PRO A 37 -4.861 10.845 -1.729 1.00 0.00 O ATOM 505 CB PRO A 37 -6.921 11.566 0.161 1.00 0.00 C ATOM 506 CG PRO A 37 -6.587 12.989 -0.131 1.00 0.00 C ATOM 507 CD PRO A 37 -5.466 13.351 0.803 1.00 0.00 C ATOM 0 HA PRO A 37 -5.681 10.138 1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.352 11.074 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.652 11.488 0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.284 13.113 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.451 13.633 0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.784 14.071 0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.839 13.799 1.724 1.00 0.00 H new ATOM 515 N VAL A 38 -4.470 9.030 -0.458 1.00 0.00 N ATOM 516 CA VAL A 38 -3.827 8.281 -1.532 1.00 0.00 C ATOM 517 C VAL A 38 -4.828 7.384 -2.252 1.00 0.00 C ATOM 518 O VAL A 38 -5.960 7.216 -1.801 1.00 0.00 O ATOM 519 CB VAL A 38 -2.670 7.416 -0.998 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.534 8.293 -0.495 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.163 6.486 0.100 1.00 0.00 C ATOM 0 H VAL A 38 -4.525 8.531 0.430 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.429 9.013 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.289 6.805 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.726 7.663 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.164 8.913 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.897 8.932 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.332 5.882 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.571 7.076 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.939 5.832 -0.298 1.00 0.00 H new ATOM 531 N GLU A 39 -4.401 6.811 -3.372 1.00 0.00 N ATOM 532 CA GLU A 39 -5.261 5.931 -4.155 1.00 0.00 C ATOM 533 C GLU A 39 -4.488 4.709 -4.644 1.00 0.00 C ATOM 534 O GLU A 39 -3.612 4.818 -5.502 1.00 0.00 O ATOM 535 CB GLU A 39 -5.850 6.686 -5.348 1.00 0.00 C ATOM 536 CG GLU A 39 -6.487 8.014 -4.973 1.00 0.00 C ATOM 537 CD GLU A 39 -7.490 8.491 -6.005 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.095 8.675 -7.176 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.670 8.681 -5.643 1.00 0.00 O ATOM 0 H GLU A 39 -3.466 6.940 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.073 5.593 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.062 6.864 -6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.598 6.058 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.984 7.915 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.707 8.766 -4.855 1.00 0.00 H new ATOM 546 N TRP A 40 -4.819 3.547 -4.091 1.00 0.00 N ATOM 547 CA TRP A 40 -4.156 2.305 -4.470 1.00 0.00 C ATOM 548 C TRP A 40 -4.774 1.722 -5.737 1.00 0.00 C ATOM 549 O TRP A 40 -5.996 1.642 -5.861 1.00 0.00 O ATOM 550 CB TRP A 40 -4.244 1.288 -3.331 1.00 0.00 C ATOM 551 CG TRP A 40 -3.736 1.816 -2.023 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.408 2.621 -1.148 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.449 1.577 -1.445 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.615 2.897 -0.060 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.409 2.268 -0.218 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.326 0.846 -1.843 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.290 2.249 0.611 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.217 0.828 -1.019 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.205 1.525 0.197 1.00 0.00 C ATOM 0 H TRP A 40 -5.542 3.440 -3.379 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.108 2.528 -4.669 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.282 0.977 -3.211 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.674 0.399 -3.602 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.414 2.987 -1.290 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.882 3.476 0.736 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.325 0.305 -2.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.279 2.787 1.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.656 0.267 -1.317 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.677 1.490 0.819 1.00 0.00 H new ATOM 570 N ARG A 41 -3.923 1.317 -6.673 1.00 0.00 N ATOM 571 CA ARG A 41 -4.387 0.743 -7.931 1.00 0.00 C ATOM 572 C ARG A 41 -3.457 -0.375 -8.393 1.00 0.00 C ATOM 573 O ARG A 41 -2.316 -0.475 -7.942 1.00 0.00 O ATOM 574 CB ARG A 41 -4.476 1.825 -9.008 1.00 0.00 C ATOM 575 CG ARG A 41 -5.768 2.625 -8.962 1.00 0.00 C ATOM 576 CD ARG A 41 -5.685 3.868 -9.834 1.00 0.00 C ATOM 577 NE ARG A 41 -6.066 3.593 -11.217 1.00 0.00 N ATOM 578 CZ ARG A 41 -5.809 4.415 -12.228 1.00 0.00 C ATOM 579 NH1 ARG A 41 -5.174 5.559 -12.011 1.00 0.00 N ATOM 580 NH2 ARG A 41 -6.188 4.095 -13.458 1.00 0.00 N ATOM 0 H ARG A 41 -2.909 1.375 -6.585 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.379 0.323 -7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.632 2.506 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.382 1.358 -9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.596 2.000 -9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.981 2.915 -7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.336 4.641 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.669 4.261 -9.809 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.557 2.721 -11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.882 5.809 -11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.978 6.189 -12.789 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.678 3.217 -13.629 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.990 4.727 -14.233 1.00 0.00 H new ATOM 594 N LYS A 42 -3.953 -1.214 -9.297 1.00 0.00 N ATOM 595 CA LYS A 42 -3.167 -2.324 -9.823 1.00 0.00 C ATOM 596 C LYS A 42 -3.293 -2.409 -11.340 1.00 0.00 C ATOM 597 O LYS A 42 -4.115 -3.160 -11.864 1.00 0.00 O ATOM 598 CB LYS A 42 -3.620 -3.641 -9.188 1.00 0.00 C ATOM 599 CG LYS A 42 -2.784 -4.838 -9.608 1.00 0.00 C ATOM 600 CD LYS A 42 -3.226 -6.105 -8.895 1.00 0.00 C ATOM 601 CE LYS A 42 -2.894 -7.346 -9.708 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.884 -7.578 -10.796 1.00 0.00 N ATOM 0 H LYS A 42 -4.896 -1.146 -9.680 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.121 -2.147 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.581 -3.544 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.661 -3.824 -9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.865 -4.979 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.734 -4.644 -9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.739 -6.165 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.300 -6.065 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.898 -7.242 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.867 -8.215 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.622 -8.433 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.830 -7.703 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.892 -6.760 -11.439 1.00 0.00 H new ATOM 616 N GLY A 43 -2.471 -1.634 -12.042 1.00 0.00 N ATOM 617 CA GLY A 43 -2.506 -1.639 -13.493 1.00 0.00 C ATOM 618 C GLY A 43 -3.898 -1.393 -14.040 1.00 0.00 C ATOM 619 O GLY A 43 -4.492 -0.335 -13.832 1.00 0.00 O ATOM 0 H GLY A 43 -1.782 -1.003 -11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.829 -0.873 -13.872 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.139 -2.598 -13.859 1.00 0.00 H new ATOM 623 N PRO A 44 -4.440 -2.387 -14.760 1.00 0.00 N ATOM 624 CA PRO A 44 -5.777 -2.296 -15.355 1.00 0.00 C ATOM 625 C PRO A 44 -6.881 -2.324 -14.304 1.00 0.00 C ATOM 626 O PRO A 44 -7.998 -1.871 -14.553 1.00 0.00 O ATOM 627 CB PRO A 44 -5.854 -3.540 -16.244 1.00 0.00 C ATOM 628 CG PRO A 44 -4.900 -4.505 -15.630 1.00 0.00 C ATOM 629 CD PRO A 44 -3.789 -3.676 -15.048 1.00 0.00 C ATOM 0 HA PRO A 44 -5.921 -1.360 -15.894 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.865 -3.946 -16.270 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.576 -3.309 -17.272 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.389 -5.099 -14.858 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.517 -5.203 -16.375 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.379 -4.130 -14.146 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.963 -3.561 -15.750 1.00 0.00 H new ATOM 637 N GLU A 45 -6.561 -2.856 -13.129 1.00 0.00 N ATOM 638 CA GLU A 45 -7.529 -2.942 -12.041 1.00 0.00 C ATOM 639 C GLU A 45 -7.540 -1.655 -11.221 1.00 0.00 C ATOM 640 O GLU A 45 -6.751 -0.744 -11.465 1.00 0.00 O ATOM 641 CB GLU A 45 -7.207 -4.134 -11.136 1.00 0.00 C ATOM 642 CG GLU A 45 -7.853 -5.433 -11.588 1.00 0.00 C ATOM 643 CD GLU A 45 -9.260 -5.603 -11.050 1.00 0.00 C ATOM 644 OE1 GLU A 45 -9.410 -6.158 -9.942 1.00 0.00 O ATOM 645 OE2 GLU A 45 -10.213 -5.180 -11.739 1.00 0.00 O ATOM 0 H GLU A 45 -5.640 -3.234 -12.906 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.518 -3.083 -12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.126 -4.269 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.535 -3.908 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.879 -5.462 -12.677 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.239 -6.272 -11.261 1.00 0.00 H new ATOM 652 N ASN A 46 -8.443 -1.589 -10.247 1.00 0.00 N ATOM 653 CA ASN A 46 -8.560 -0.414 -9.392 1.00 0.00 C ATOM 654 C ASN A 46 -8.917 -0.814 -7.963 1.00 0.00 C ATOM 655 O ASN A 46 -9.964 -1.415 -7.719 1.00 0.00 O ATOM 656 CB ASN A 46 -9.618 0.543 -9.945 1.00 0.00 C ATOM 657 CG ASN A 46 -10.964 -0.130 -10.131 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.010 -1.130 -11.004 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -11.951 0.245 -9.497 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.104 -2.335 -10.031 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.594 0.092 -9.379 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.728 1.389 -9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.279 0.942 -10.901 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.869 1.018 -8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.850 -0.217 -9.633 1.00 0.00 H new ATOM 666 N LEU A 47 -8.040 -0.478 -7.024 1.00 0.00 N ATOM 667 CA LEU A 47 -8.262 -0.801 -5.619 1.00 0.00 C ATOM 668 C LEU A 47 -8.732 0.426 -4.845 1.00 0.00 C ATOM 669 O LEU A 47 -8.554 1.559 -5.292 1.00 0.00 O ATOM 670 CB LEU A 47 -6.980 -1.353 -4.993 1.00 0.00 C ATOM 671 CG LEU A 47 -6.106 -2.217 -5.904 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.887 -2.724 -5.149 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.909 -3.380 -6.466 1.00 0.00 C ATOM 0 H LEU A 47 -7.168 0.018 -7.210 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.041 -1.561 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.382 -0.514 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.252 -1.943 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.763 -1.603 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.277 -3.337 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.300 -1.877 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.210 -3.323 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.272 -3.984 -7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.282 -3.995 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.750 -2.996 -7.043 1.00 0.00 H new ATOM 685 N ARG A 48 -9.330 0.193 -3.682 1.00 0.00 N ATOM 686 CA ARG A 48 -9.824 1.280 -2.845 1.00 0.00 C ATOM 687 C ARG A 48 -10.269 0.758 -1.482 1.00 0.00 C ATOM 688 O ARG A 48 -10.472 -0.443 -1.302 1.00 0.00 O ATOM 689 CB ARG A 48 -10.988 1.994 -3.534 1.00 0.00 C ATOM 690 CG ARG A 48 -12.198 1.102 -3.766 1.00 0.00 C ATOM 691 CD ARG A 48 -13.462 1.922 -3.972 1.00 0.00 C ATOM 692 NE ARG A 48 -14.662 1.090 -3.954 1.00 0.00 N ATOM 693 CZ ARG A 48 -15.818 1.455 -4.499 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.929 2.631 -5.100 1.00 0.00 N ATOM 695 NH2 ARG A 48 -16.865 0.643 -4.442 1.00 0.00 N ATOM 0 H ARG A 48 -9.484 -0.739 -3.297 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.009 1.988 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.288 2.849 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.647 2.386 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.025 0.472 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.330 0.436 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.534 2.679 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.401 2.450 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.610 0.179 -3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.126 3.258 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.817 2.909 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.784 -0.263 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.752 0.924 -4.861 1.00 0.00 H new ATOM 709 N ASP A 49 -10.416 1.668 -0.525 1.00 0.00 N ATOM 710 CA ASP A 49 -10.837 1.300 0.822 1.00 0.00 C ATOM 711 C ASP A 49 -12.174 0.565 0.792 1.00 0.00 C ATOM 712 O ASP A 49 -13.236 1.186 0.798 1.00 0.00 O ATOM 713 CB ASP A 49 -10.946 2.545 1.703 1.00 0.00 C ATOM 714 CG ASP A 49 -11.986 3.524 1.197 1.00 0.00 C ATOM 715 OD1 ASP A 49 -12.175 3.604 -0.035 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.611 4.211 2.032 1.00 0.00 O ATOM 0 H ASP A 49 -10.250 2.666 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.085 0.632 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.198 2.245 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.976 3.041 1.748 1.00 0.00 H new ATOM 721 N GLY A 50 -12.113 -0.763 0.757 1.00 0.00 N ATOM 722 CA GLY A 50 -13.324 -1.561 0.725 1.00 0.00 C ATOM 723 C GLY A 50 -13.275 -2.729 1.690 1.00 0.00 C ATOM 724 O GLY A 50 -12.506 -2.717 2.652 1.00 0.00 O ATOM 0 H GLY A 50 -11.246 -1.300 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.178 -0.929 0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.482 -1.936 -0.286 1.00 0.00 H new ATOM 728 N ASP A 51 -14.097 -3.741 1.434 1.00 0.00 N ATOM 729 CA ASP A 51 -14.145 -4.922 2.287 1.00 0.00 C ATOM 730 C ASP A 51 -12.895 -5.778 2.101 1.00 0.00 C ATOM 731 O ASP A 51 -12.069 -5.892 3.007 1.00 0.00 O ATOM 732 CB ASP A 51 -15.394 -5.749 1.980 1.00 0.00 C ATOM 733 CG ASP A 51 -15.778 -6.666 3.125 1.00 0.00 C ATOM 734 OD1 ASP A 51 -15.001 -7.597 3.425 1.00 0.00 O ATOM 735 OD2 ASP A 51 -16.855 -6.453 3.721 1.00 0.00 O ATOM 0 H ASP A 51 -14.739 -3.767 0.642 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.185 -4.589 3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.225 -5.079 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.220 -6.345 1.084 1.00 0.00 H new ATOM 740 N ARG A 52 -12.765 -6.377 0.922 1.00 0.00 N ATOM 741 CA ARG A 52 -11.617 -7.223 0.618 1.00 0.00 C ATOM 742 C ARG A 52 -10.314 -6.439 0.745 1.00 0.00 C ATOM 743 O ARG A 52 -9.259 -7.010 1.023 1.00 0.00 O ATOM 744 CB ARG A 52 -11.742 -7.801 -0.793 1.00 0.00 C ATOM 745 CG ARG A 52 -11.562 -6.767 -1.892 1.00 0.00 C ATOM 746 CD ARG A 52 -11.635 -7.403 -3.272 1.00 0.00 C ATOM 747 NE ARG A 52 -10.491 -8.272 -3.535 1.00 0.00 N ATOM 748 CZ ARG A 52 -10.384 -9.040 -4.614 1.00 0.00 C ATOM 749 NH1 ARG A 52 -11.347 -9.045 -5.525 1.00 0.00 N ATOM 750 NH2 ARG A 52 -9.312 -9.803 -4.783 1.00 0.00 N ATOM 0 H ARG A 52 -13.440 -6.292 0.162 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.600 -8.041 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.999 -8.588 -0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.722 -8.266 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.332 -6.001 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.600 -6.268 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.556 -7.980 -3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.678 -6.621 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.733 -8.290 -2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.172 -8.459 -5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.263 -9.635 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.569 -9.800 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.231 -10.392 -5.612 1.00 0.00 H new ATOM 764 N TYR A 53 -10.396 -5.130 0.538 1.00 0.00 N ATOM 765 CA TYR A 53 -9.223 -4.268 0.626 1.00 0.00 C ATOM 766 C TYR A 53 -9.236 -3.460 1.920 1.00 0.00 C ATOM 767 O TYR A 53 -9.948 -2.462 2.035 1.00 0.00 O ATOM 768 CB TYR A 53 -9.166 -3.324 -0.576 1.00 0.00 C ATOM 769 CG TYR A 53 -9.021 -4.039 -1.901 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.821 -4.641 -2.260 1.00 0.00 C ATOM 771 CD2 TYR A 53 -10.083 -4.112 -2.793 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.684 -5.295 -3.469 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.956 -4.765 -4.004 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.754 -5.355 -4.337 1.00 0.00 C ATOM 775 OH TYR A 53 -8.622 -6.005 -5.543 1.00 0.00 O ATOM 0 H TYR A 53 -11.262 -4.642 0.308 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.337 -4.903 0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.073 -2.720 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.329 -2.638 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.981 -4.597 -1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.025 -3.650 -2.536 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.744 -5.757 -3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.792 -4.813 -4.686 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.468 -5.956 -6.035 1.00 0.00 H new ATOM 785 N ILE A 54 -8.444 -3.899 2.892 1.00 0.00 N ATOM 786 CA ILE A 54 -8.363 -3.217 4.178 1.00 0.00 C ATOM 787 C ILE A 54 -7.335 -2.091 4.139 1.00 0.00 C ATOM 788 O ILE A 54 -6.144 -2.315 4.359 1.00 0.00 O ATOM 789 CB ILE A 54 -7.996 -4.193 5.311 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.022 -5.325 5.392 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.908 -3.455 6.639 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.607 -6.453 6.309 1.00 0.00 C ATOM 0 H ILE A 54 -7.849 -4.724 2.814 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.350 -2.798 4.376 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.020 -4.627 5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.973 -4.918 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.190 -5.724 4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.648 -4.159 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.143 -2.681 6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.870 -2.996 6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.382 -7.219 6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.672 -6.886 5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.467 -6.068 7.319 1.00 0.00 H new ATOM 804 N LEU A 55 -7.803 -0.880 3.859 1.00 0.00 N ATOM 805 CA LEU A 55 -6.925 0.283 3.793 1.00 0.00 C ATOM 806 C LEU A 55 -6.898 1.022 5.127 1.00 0.00 C ATOM 807 O LEU A 55 -7.901 1.073 5.839 1.00 0.00 O ATOM 808 CB LEU A 55 -7.382 1.230 2.682 1.00 0.00 C ATOM 809 CG LEU A 55 -7.066 0.789 1.252 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.936 -0.393 0.853 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.258 1.946 0.283 1.00 0.00 C ATOM 0 H LEU A 55 -8.785 -0.678 3.674 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.917 -0.067 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.460 1.367 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.923 2.204 2.850 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.023 0.476 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.697 -0.693 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.749 -1.227 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.986 -0.108 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.029 1.614 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.291 2.290 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.592 2.764 0.556 1.00 0.00 H new ATOM 823 N ARG A 56 -5.745 1.594 5.458 1.00 0.00 N ATOM 824 CA ARG A 56 -5.588 2.331 6.706 1.00 0.00 C ATOM 825 C ARG A 56 -4.607 3.486 6.535 1.00 0.00 C ATOM 826 O ARG A 56 -3.707 3.430 5.697 1.00 0.00 O ATOM 827 CB ARG A 56 -5.105 1.397 7.817 1.00 0.00 C ATOM 828 CG ARG A 56 -6.209 0.542 8.417 1.00 0.00 C ATOM 829 CD ARG A 56 -5.669 -0.396 9.486 1.00 0.00 C ATOM 830 NE ARG A 56 -6.640 -1.422 9.855 1.00 0.00 N ATOM 831 CZ ARG A 56 -7.666 -1.204 10.669 1.00 0.00 C ATOM 832 NH1 ARG A 56 -7.854 -0.002 11.197 1.00 0.00 N ATOM 833 NH2 ARG A 56 -8.507 -2.189 10.957 1.00 0.00 N ATOM 0 H ARG A 56 -4.906 1.561 4.879 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.560 2.740 6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.328 0.745 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.648 1.992 8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.975 1.186 8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.689 -0.040 7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.758 -0.873 9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.397 0.180 10.370 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.524 -2.358 9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.210 0.758 10.978 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.643 0.163 11.822 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.366 -3.115 10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.295 -2.020 11.582 1.00 0.00 H new ATOM 847 N GLN A 57 -4.787 4.532 7.335 1.00 0.00 N ATOM 848 CA GLN A 57 -3.918 5.701 7.271 1.00 0.00 C ATOM 849 C GLN A 57 -3.792 6.361 8.640 1.00 0.00 C ATOM 850 O GLN A 57 -4.764 6.893 9.175 1.00 0.00 O ATOM 851 CB GLN A 57 -4.457 6.709 6.254 1.00 0.00 C ATOM 852 CG GLN A 57 -3.469 7.811 5.907 1.00 0.00 C ATOM 853 CD GLN A 57 -3.989 8.742 4.829 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.190 8.796 4.566 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.084 9.482 4.199 1.00 0.00 N ATOM 0 H GLN A 57 -5.527 4.594 8.035 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.929 5.370 6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.733 6.180 5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.367 7.160 6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.245 8.389 6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.533 7.363 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.098 9.405 4.450 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.375 10.127 3.465 1.00 0.00 H new ATOM 864 N GLU A 58 -2.587 6.323 9.201 1.00 0.00 N ATOM 865 CA GLU A 58 -2.335 6.917 10.509 1.00 0.00 C ATOM 866 C GLU A 58 -1.659 8.277 10.368 1.00 0.00 C ATOM 867 O GLU A 58 -1.235 8.878 11.354 1.00 0.00 O ATOM 868 CB GLU A 58 -1.463 5.987 11.356 1.00 0.00 C ATOM 869 CG GLU A 58 -2.192 4.747 11.845 1.00 0.00 C ATOM 870 CD GLU A 58 -2.969 4.992 13.124 1.00 0.00 C ATOM 871 OE1 GLU A 58 -3.891 5.834 13.106 1.00 0.00 O ATOM 872 OE2 GLU A 58 -2.654 4.342 14.143 1.00 0.00 O ATOM 0 H GLU A 58 -1.771 5.888 8.771 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.294 7.058 11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.597 5.681 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.086 6.540 12.217 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.876 4.403 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.470 3.947 12.011 1.00 0.00 H new ATOM 879 N GLY A 59 -1.561 8.757 9.132 1.00 0.00 N ATOM 880 CA GLY A 59 -0.934 10.043 8.882 1.00 0.00 C ATOM 881 C GLY A 59 -0.178 10.075 7.569 1.00 0.00 C ATOM 882 O GLY A 59 -0.743 9.796 6.511 1.00 0.00 O ATOM 0 H GLY A 59 -1.904 8.279 8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.698 10.821 8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.249 10.274 9.698 1.00 0.00 H new ATOM 886 N THR A 60 1.105 10.417 7.635 1.00 0.00 N ATOM 887 CA THR A 60 1.939 10.488 6.442 1.00 0.00 C ATOM 888 C THR A 60 2.235 9.096 5.895 1.00 0.00 C ATOM 889 O THR A 60 2.899 8.950 4.869 1.00 0.00 O ATOM 890 CB THR A 60 3.270 11.208 6.729 1.00 0.00 C ATOM 891 OG1 THR A 60 3.866 10.680 7.919 1.00 0.00 O ATOM 892 CG2 THR A 60 3.052 12.705 6.886 1.00 0.00 C ATOM 0 H THR A 60 1.589 10.649 8.502 1.00 0.00 H new ATOM 0 HA THR A 60 1.380 11.057 5.699 1.00 0.00 H new ATOM 0 HB THR A 60 3.938 11.041 5.884 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.713 11.142 8.094 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.006 13.192 7.088 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.625 13.109 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.368 12.888 7.715 1.00 0.00 H new ATOM 900 N ARG A 61 1.737 8.076 6.586 1.00 0.00 N ATOM 901 CA ARG A 61 1.949 6.695 6.169 1.00 0.00 C ATOM 902 C ARG A 61 0.621 6.010 5.860 1.00 0.00 C ATOM 903 O ARG A 61 -0.320 6.071 6.653 1.00 0.00 O ATOM 904 CB ARG A 61 2.693 5.919 7.257 1.00 0.00 C ATOM 905 CG ARG A 61 2.873 4.444 6.940 1.00 0.00 C ATOM 906 CD ARG A 61 3.025 3.616 8.206 1.00 0.00 C ATOM 907 NE ARG A 61 3.707 2.349 7.954 1.00 0.00 N ATOM 908 CZ ARG A 61 4.222 1.588 8.912 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.133 1.964 10.181 1.00 0.00 N ATOM 910 NH2 ARG A 61 4.828 0.449 8.603 1.00 0.00 N ATOM 0 H ARG A 61 1.184 8.180 7.437 1.00 0.00 H new ATOM 0 HA ARG A 61 2.553 6.705 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.673 6.371 7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.149 6.016 8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.015 4.086 6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.752 4.311 6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.584 4.187 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.041 3.419 8.631 1.00 0.00 H new ATOM 0 HE ARG A 61 3.792 2.031 6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.668 2.839 10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.529 1.378 10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.899 0.157 7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.223 -0.135 9.340 1.00 0.00 H new ATOM 924 N CYS A 62 0.551 5.360 4.703 1.00 0.00 N ATOM 925 CA CYS A 62 -0.662 4.665 4.288 1.00 0.00 C ATOM 926 C CYS A 62 -0.421 3.163 4.189 1.00 0.00 C ATOM 927 O CYS A 62 0.442 2.712 3.437 1.00 0.00 O ATOM 928 CB CYS A 62 -1.150 5.206 2.944 1.00 0.00 C ATOM 929 SG CYS A 62 -1.459 6.987 2.932 1.00 0.00 S ATOM 0 H CYS A 62 1.320 5.300 4.036 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.429 4.842 5.042 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.409 4.972 2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.068 4.687 2.668 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.332 7.622 2.800 1.00 0.00 H new ATOM 935 N GLU A 63 -1.189 2.393 4.954 1.00 0.00 N ATOM 936 CA GLU A 63 -1.056 0.941 4.953 1.00 0.00 C ATOM 937 C GLU A 63 -2.157 0.294 4.118 1.00 0.00 C ATOM 938 O GLU A 63 -3.326 0.673 4.209 1.00 0.00 O ATOM 939 CB GLU A 63 -1.103 0.401 6.384 1.00 0.00 C ATOM 940 CG GLU A 63 -0.012 0.960 7.281 1.00 0.00 C ATOM 941 CD GLU A 63 -0.362 2.322 7.848 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.123 3.332 7.153 1.00 0.00 O ATOM 943 OE2 GLU A 63 -0.875 2.378 8.985 1.00 0.00 O ATOM 0 H GLU A 63 -1.909 2.750 5.582 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.092 0.691 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.075 0.634 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.018 -0.685 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.170 0.265 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.916 1.034 6.714 1.00 0.00 H new ATOM 950 N LEU A 64 -1.777 -0.683 3.302 1.00 0.00 N ATOM 951 CA LEU A 64 -2.731 -1.383 2.449 1.00 0.00 C ATOM 952 C LEU A 64 -2.682 -2.887 2.698 1.00 0.00 C ATOM 953 O LEU A 64 -1.614 -3.498 2.659 1.00 0.00 O ATOM 954 CB LEU A 64 -2.439 -1.089 0.977 1.00 0.00 C ATOM 955 CG LEU A 64 -3.038 -2.067 -0.035 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.557 -2.025 0.016 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.540 -1.755 -1.438 1.00 0.00 C ATOM 0 H LEU A 64 -0.814 -1.009 3.213 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.731 -1.025 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.807 -0.089 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.358 -1.071 0.838 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.715 -3.074 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.965 -2.727 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.895 -2.299 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.901 -1.018 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.977 -2.461 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.832 -0.741 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.454 -1.839 -1.466 1.00 0.00 H new ATOM 969 N GLN A 65 -3.846 -3.477 2.952 1.00 0.00 N ATOM 970 CA GLN A 65 -3.935 -4.910 3.206 1.00 0.00 C ATOM 971 C GLN A 65 -4.887 -5.579 2.220 1.00 0.00 C ATOM 972 O GLN A 65 -6.074 -5.254 2.171 1.00 0.00 O ATOM 973 CB GLN A 65 -4.403 -5.168 4.640 1.00 0.00 C ATOM 974 CG GLN A 65 -3.264 -5.277 5.641 1.00 0.00 C ATOM 975 CD GLN A 65 -3.714 -5.029 7.067 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.409 -4.053 7.350 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.321 -5.915 7.974 1.00 0.00 N ATOM 0 H GLN A 65 -4.739 -2.985 2.987 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.942 -5.339 3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.069 -4.362 4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.986 -6.089 4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.819 -6.270 5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.486 -4.560 5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.745 -6.709 7.695 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.595 -5.801 8.950 1.00 0.00 H new ATOM 986 N ILE A 66 -4.360 -6.514 1.437 1.00 0.00 N ATOM 987 CA ILE A 66 -5.164 -7.229 0.454 1.00 0.00 C ATOM 988 C ILE A 66 -5.620 -8.580 0.993 1.00 0.00 C ATOM 989 O ILE A 66 -4.866 -9.554 0.974 1.00 0.00 O ATOM 990 CB ILE A 66 -4.385 -7.448 -0.857 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.820 -6.122 -1.368 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.284 -8.086 -1.906 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.573 -6.281 -2.210 1.00 0.00 C ATOM 0 H ILE A 66 -3.380 -6.794 1.464 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.037 -6.610 0.250 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.553 -8.123 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.584 -5.614 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.594 -5.480 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.720 -8.235 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.643 -9.048 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.134 -7.433 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.228 -5.300 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.793 -6.761 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.798 -6.896 -3.081 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.857 -8.632 1.473 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.415 -9.865 2.017 1.00 0.00 C ATOM 1007 C CYS A 67 -7.768 -10.842 0.900 1.00 0.00 C ATOM 1008 O CYS A 67 -8.632 -10.564 0.069 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.657 -9.561 2.857 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.049 -10.832 4.082 1.00 0.00 S ATOM 0 H CYS A 67 -7.493 -7.835 1.497 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.660 -10.326 2.653 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.512 -8.610 3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.511 -9.437 2.191 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.113 -10.484 4.743 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.093 -11.987 0.887 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.348 -12.987 -0.134 1.00 0.00 C ATOM 1018 C GLY A 68 -6.371 -12.899 -1.289 1.00 0.00 C ATOM 1019 O GLY A 68 -6.754 -12.568 -2.412 1.00 0.00 O ATOM 0 H GLY A 68 -6.374 -12.240 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.290 -13.980 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.363 -12.866 -0.511 1.00 0.00 H new ATOM 1023 N LEU A 69 -5.105 -13.194 -1.015 1.00 0.00 N ATOM 1024 CA LEU A 69 -4.069 -13.145 -2.041 1.00 0.00 C ATOM 1025 C LEU A 69 -4.183 -14.335 -2.987 1.00 0.00 C ATOM 1026 O LEU A 69 -4.701 -15.388 -2.616 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.683 -13.124 -1.393 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.209 -11.770 -0.864 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.976 -11.940 0.010 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.922 -10.818 -2.016 1.00 0.00 C ATOM 0 H LEU A 69 -4.771 -13.470 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.207 -12.231 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.679 -13.835 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.957 -13.480 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.004 -11.341 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.653 -10.966 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.215 -12.585 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.175 -12.391 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.586 -9.859 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.145 -11.241 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.830 -10.671 -2.601 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.693 -14.161 -4.210 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.736 -15.222 -5.209 1.00 0.00 C ATOM 1044 C ALA A 70 -2.758 -14.947 -6.346 1.00 0.00 C ATOM 1045 O ALA A 70 -2.322 -13.812 -6.540 1.00 0.00 O ATOM 1046 CB ALA A 70 -5.149 -15.379 -5.752 1.00 0.00 C ATOM 0 H ALA A 70 -3.261 -13.295 -4.533 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.438 -16.153 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.166 -16.175 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.826 -15.631 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.468 -14.444 -6.212 1.00 0.00 H new ATOM 1052 N MET A 71 -2.417 -15.991 -7.093 1.00 0.00 N ATOM 1053 CA MET A 71 -1.490 -15.860 -8.211 1.00 0.00 C ATOM 1054 C MET A 71 -1.739 -14.563 -8.975 1.00 0.00 C ATOM 1055 O MET A 71 -0.806 -13.941 -9.481 1.00 0.00 O ATOM 1056 CB MET A 71 -1.625 -17.056 -9.156 1.00 0.00 C ATOM 1057 CG MET A 71 -1.170 -18.370 -8.542 1.00 0.00 C ATOM 1058 SD MET A 71 0.589 -18.679 -8.789 1.00 0.00 S ATOM 1059 CE MET A 71 1.243 -18.210 -7.188 1.00 0.00 C ATOM 0 H MET A 71 -2.768 -16.937 -6.945 1.00 0.00 H new ATOM 0 HA MET A 71 -0.477 -15.836 -7.809 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.666 -17.150 -9.464 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.042 -16.864 -10.057 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.387 -18.362 -7.474 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.743 -19.188 -8.978 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.172 -17.656 -7.323 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.519 -17.582 -6.669 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.436 -19.106 -6.597 1.00 0.00 H new ATOM 1069 N ALA A 72 -3.004 -14.162 -9.054 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.374 -12.938 -9.754 1.00 0.00 C ATOM 1071 C ALA A 72 -2.748 -11.716 -9.092 1.00 0.00 C ATOM 1072 O ALA A 72 -2.014 -10.960 -9.730 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.888 -12.796 -9.804 1.00 0.00 C ATOM 0 H ALA A 72 -3.789 -14.667 -8.642 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.992 -13.002 -10.773 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.150 -11.878 -10.329 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.316 -13.650 -10.329 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.284 -12.759 -8.789 1.00 0.00 H new ATOM 1079 N ASP A 73 -3.043 -11.526 -7.811 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.508 -10.395 -7.062 1.00 0.00 C ATOM 1081 C ASP A 73 -1.067 -10.105 -7.470 1.00 0.00 C ATOM 1082 O ASP A 73 -0.660 -8.948 -7.571 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.580 -10.670 -5.559 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.957 -11.128 -5.120 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.457 -12.125 -5.680 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.535 -10.488 -4.216 1.00 0.00 O ATOM 0 H ASP A 73 -3.650 -12.141 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.115 -9.520 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.846 -11.432 -5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.310 -9.766 -5.014 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.299 -11.165 -7.703 1.00 0.00 N ATOM 1092 CA ALA A 74 1.096 -11.025 -8.101 1.00 0.00 C ATOM 1093 C ALA A 74 1.221 -10.215 -9.387 1.00 0.00 C ATOM 1094 O ALA A 74 0.808 -10.661 -10.456 1.00 0.00 O ATOM 1095 CB ALA A 74 1.736 -12.394 -8.274 1.00 0.00 C ATOM 0 H ALA A 74 -0.620 -12.130 -7.623 1.00 0.00 H new ATOM 0 HA ALA A 74 1.621 -10.488 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.778 -12.274 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.688 -12.940 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.201 -12.951 -9.043 1.00 0.00 H new ATOM 1101 N GLY A 75 1.795 -9.020 -9.276 1.00 0.00 N ATOM 1102 CA GLY A 75 1.963 -8.167 -10.437 1.00 0.00 C ATOM 1103 C GLY A 75 2.653 -6.860 -10.101 1.00 0.00 C ATOM 1104 O GLY A 75 3.805 -6.852 -9.669 1.00 0.00 O ATOM 0 H GLY A 75 2.146 -8.628 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.543 -8.697 -11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.987 -7.957 -10.874 1.00 0.00 H new ATOM 1108 N GLU A 76 1.947 -5.751 -10.301 1.00 0.00 N ATOM 1109 CA GLU A 76 2.501 -4.432 -10.018 1.00 0.00 C ATOM 1110 C GLU A 76 1.439 -3.512 -9.423 1.00 0.00 C ATOM 1111 O GLU A 76 0.394 -3.279 -10.029 1.00 0.00 O ATOM 1112 CB GLU A 76 3.073 -3.810 -11.294 1.00 0.00 C ATOM 1113 CG GLU A 76 3.401 -2.333 -11.157 1.00 0.00 C ATOM 1114 CD GLU A 76 4.528 -1.898 -12.073 1.00 0.00 C ATOM 1115 OE1 GLU A 76 5.700 -1.966 -11.646 1.00 0.00 O ATOM 1116 OE2 GLU A 76 4.238 -1.490 -13.217 1.00 0.00 O ATOM 0 H GLU A 76 0.991 -5.740 -10.658 1.00 0.00 H new ATOM 0 HA GLU A 76 3.303 -4.552 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.977 -4.349 -11.577 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.356 -3.941 -12.105 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.510 -1.745 -11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.675 -2.120 -10.124 1.00 0.00 H new ATOM 1123 N TYR A 77 1.716 -2.993 -8.231 1.00 0.00 N ATOM 1124 CA TYR A 77 0.784 -2.102 -7.552 1.00 0.00 C ATOM 1125 C TYR A 77 1.279 -0.659 -7.597 1.00 0.00 C ATOM 1126 O TYR A 77 2.466 -0.391 -7.406 1.00 0.00 O ATOM 1127 CB TYR A 77 0.592 -2.541 -6.099 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.109 -3.873 -5.957 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.485 -5.045 -6.408 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.367 -3.959 -5.373 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.152 -6.264 -6.281 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.011 -5.174 -5.241 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.400 -6.324 -5.697 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.039 -7.535 -5.568 1.00 0.00 O ATOM 0 H TYR A 77 2.578 -3.174 -7.716 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.173 -2.156 -8.071 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.566 -2.599 -5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.018 -1.780 -5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.462 -5.002 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.849 -3.061 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.325 -7.165 -6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.988 -5.223 -4.783 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.743 -8.139 -6.281 1.00 0.00 H new ATOM 1144 N LEU A 78 0.360 0.267 -7.851 1.00 0.00 N ATOM 1145 CA LEU A 78 0.701 1.683 -7.921 1.00 0.00 C ATOM 1146 C LEU A 78 -0.101 2.487 -6.903 1.00 0.00 C ATOM 1147 O LEU A 78 -1.265 2.186 -6.638 1.00 0.00 O ATOM 1148 CB LEU A 78 0.443 2.221 -9.330 1.00 0.00 C ATOM 1149 CG LEU A 78 1.418 1.760 -10.414 1.00 0.00 C ATOM 1150 CD1 LEU A 78 1.027 0.385 -10.934 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.468 2.769 -11.551 1.00 0.00 C ATOM 0 H LEU A 78 -0.626 0.062 -8.012 1.00 0.00 H new ATOM 0 HA LEU A 78 1.760 1.788 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.564 1.932 -9.629 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.463 3.310 -9.291 1.00 0.00 H new ATOM 0 HG LEU A 78 2.413 1.690 -9.975 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.732 0.073 -11.705 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.045 -0.333 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.023 0.428 -11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.167 2.424 -12.313 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.475 2.873 -11.989 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.798 3.734 -11.167 1.00 0.00 H new ATOM 1163 N CYS A 79 0.529 3.511 -6.337 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.127 4.360 -5.349 1.00 0.00 C ATOM 1165 C CYS A 79 -0.066 5.826 -5.765 1.00 0.00 C ATOM 1166 O CYS A 79 1.001 6.440 -5.761 1.00 0.00 O ATOM 1167 CB CYS A 79 0.526 4.179 -3.978 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.549 4.603 -2.587 1.00 0.00 S ATOM 0 H CYS A 79 1.492 3.773 -6.545 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.174 4.062 -5.288 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.845 3.142 -3.874 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.424 4.795 -3.931 1.00 0.00 H new ATOM 0 HG CYS A 79 0.149 4.628 -1.491 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.218 6.382 -6.126 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.296 7.776 -6.546 1.00 0.00 C ATOM 1176 C VAL A 80 -1.569 8.693 -5.359 1.00 0.00 C ATOM 1177 O VAL A 80 -2.460 8.431 -4.551 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.396 7.983 -7.604 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.268 9.356 -8.246 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.336 6.886 -8.656 1.00 0.00 C ATOM 0 H VAL A 80 -2.110 5.888 -6.136 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.330 8.029 -6.983 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.366 7.929 -7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.054 9.484 -8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.365 10.126 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.294 9.443 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.120 7.048 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.363 6.906 -9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.481 5.917 -8.179 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.797 9.770 -5.261 1.00 0.00 N ATOM 1191 CA CYS A 81 -0.954 10.727 -4.172 1.00 0.00 C ATOM 1192 C CYS A 81 -0.612 12.139 -4.635 1.00 0.00 C ATOM 1193 O CYS A 81 0.544 12.446 -4.924 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.067 10.336 -2.989 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.217 11.433 -1.559 1.00 0.00 S ATOM 0 H CYS A 81 -0.056 10.002 -5.923 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.997 10.711 -3.855 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.316 9.320 -2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.973 10.324 -3.317 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.156 10.996 -0.773 1.00 0.00 H new ATOM 1201 N GLY A 82 -1.626 12.996 -4.706 1.00 0.00 N ATOM 1202 CA GLY A 82 -1.413 14.365 -5.137 1.00 0.00 C ATOM 1203 C GLY A 82 -1.014 14.458 -6.596 1.00 0.00 C ATOM 1204 O GLY A 82 -1.794 14.110 -7.482 1.00 0.00 O ATOM 0 H GLY A 82 -2.592 12.766 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.325 14.939 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.637 14.820 -4.522 1.00 0.00 H new ATOM 1208 N GLN A 83 0.204 14.929 -6.846 1.00 0.00 N ATOM 1209 CA GLN A 83 0.703 15.069 -8.209 1.00 0.00 C ATOM 1210 C GLN A 83 1.798 14.046 -8.495 1.00 0.00 C ATOM 1211 O GLN A 83 2.393 14.046 -9.572 1.00 0.00 O ATOM 1212 CB GLN A 83 1.238 16.484 -8.436 1.00 0.00 C ATOM 1213 CG GLN A 83 0.182 17.463 -8.922 1.00 0.00 C ATOM 1214 CD GLN A 83 -0.913 17.696 -7.900 1.00 0.00 C ATOM 1215 OE1 GLN A 83 -0.727 17.450 -6.708 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -2.063 18.173 -8.361 1.00 0.00 N ATOM 0 H GLN A 83 0.863 15.220 -6.123 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.126 14.888 -8.893 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.665 16.856 -7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.048 16.445 -9.165 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.657 18.414 -9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.261 17.086 -9.844 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.174 18.363 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.836 18.350 -7.719 1.00 0.00 H new ATOM 1225 N GLU A 84 2.058 13.177 -7.524 1.00 0.00 N ATOM 1226 CA GLU A 84 3.082 12.150 -7.672 1.00 0.00 C ATOM 1227 C GLU A 84 2.470 10.755 -7.591 1.00 0.00 C ATOM 1228 O GLU A 84 1.296 10.599 -7.255 1.00 0.00 O ATOM 1229 CB GLU A 84 4.156 12.311 -6.594 1.00 0.00 C ATOM 1230 CG GLU A 84 4.970 13.587 -6.731 1.00 0.00 C ATOM 1231 CD GLU A 84 5.966 13.524 -7.872 1.00 0.00 C ATOM 1232 OE1 GLU A 84 6.812 12.604 -7.871 1.00 0.00 O ATOM 1233 OE2 GLU A 84 5.901 14.393 -8.766 1.00 0.00 O ATOM 0 H GLU A 84 1.574 13.164 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 84 3.541 12.270 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.680 12.297 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.829 11.455 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.295 14.429 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.503 13.776 -5.799 1.00 0.00 H new ATOM 1240 N ARG A 85 3.273 9.744 -7.903 1.00 0.00 N ATOM 1241 CA ARG A 85 2.811 8.361 -7.868 1.00 0.00 C ATOM 1242 C ARG A 85 3.986 7.392 -7.954 1.00 0.00 C ATOM 1243 O ARG A 85 4.993 7.676 -8.605 1.00 0.00 O ATOM 1244 CB ARG A 85 1.835 8.099 -9.017 1.00 0.00 C ATOM 1245 CG ARG A 85 2.429 8.355 -10.392 1.00 0.00 C ATOM 1246 CD ARG A 85 1.551 7.784 -11.494 1.00 0.00 C ATOM 1247 NE ARG A 85 2.288 7.597 -12.741 1.00 0.00 N ATOM 1248 CZ ARG A 85 1.708 7.321 -13.903 1.00 0.00 C ATOM 1249 NH1 ARG A 85 0.389 7.201 -13.978 1.00 0.00 N ATOM 1250 NH2 ARG A 85 2.447 7.166 -14.995 1.00 0.00 N ATOM 0 H ARG A 85 4.247 9.856 -8.183 1.00 0.00 H new ATOM 0 HA ARG A 85 2.299 8.199 -6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.495 7.065 -8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.956 8.731 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.552 9.428 -10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.422 7.909 -10.449 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.139 6.828 -11.170 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.708 8.452 -11.668 1.00 0.00 H new ATOM 0 HE ARG A 85 3.304 7.683 -12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.182 7.321 -13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.054 6.989 -14.872 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.461 7.259 -14.942 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.000 6.954 -15.887 1.00 0.00 H new ATOM 1264 N THR A 86 3.852 6.247 -7.292 1.00 0.00 N ATOM 1265 CA THR A 86 4.903 5.237 -7.292 1.00 0.00 C ATOM 1266 C THR A 86 4.347 3.865 -7.655 1.00 0.00 C ATOM 1267 O THR A 86 3.134 3.653 -7.641 1.00 0.00 O ATOM 1268 CB THR A 86 5.598 5.150 -5.920 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.512 4.048 -5.903 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.576 4.985 -4.805 1.00 0.00 C ATOM 0 H THR A 86 3.026 5.996 -6.749 1.00 0.00 H new ATOM 0 HA THR A 86 5.633 5.540 -8.043 1.00 0.00 H new ATOM 0 HB THR A 86 6.145 6.078 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.167 4.177 -5.186 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.090 4.926 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.900 5.840 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.005 4.071 -4.967 1.00 0.00 H new ATOM 1278 N SER A 87 5.241 2.936 -7.979 1.00 0.00 N ATOM 1279 CA SER A 87 4.838 1.584 -8.349 1.00 0.00 C ATOM 1280 C SER A 87 5.736 0.548 -7.680 1.00 0.00 C ATOM 1281 O SER A 87 6.875 0.840 -7.315 1.00 0.00 O ATOM 1282 CB SER A 87 4.887 1.413 -9.868 1.00 0.00 C ATOM 1283 OG SER A 87 6.189 1.059 -10.300 1.00 0.00 O ATOM 0 H SER A 87 6.248 3.095 -7.993 1.00 0.00 H new ATOM 0 HA SER A 87 3.815 1.429 -8.006 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.178 0.644 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.580 2.340 -10.352 1.00 0.00 H new ATOM 0 HG SER A 87 6.160 0.187 -10.745 1.00 0.00 H new ATOM 1289 N ALA A 88 5.214 -0.664 -7.522 1.00 0.00 N ATOM 1290 CA ALA A 88 5.968 -1.745 -6.899 1.00 0.00 C ATOM 1291 C ALA A 88 5.653 -3.084 -7.557 1.00 0.00 C ATOM 1292 O ALA A 88 4.793 -3.170 -8.434 1.00 0.00 O ATOM 1293 CB ALA A 88 5.672 -1.805 -5.408 1.00 0.00 C ATOM 0 H ALA A 88 4.272 -0.922 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 88 7.030 -1.541 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.242 -2.617 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.954 -0.861 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.607 -1.981 -5.255 1.00 0.00 H new ATOM 1299 N THR A 89 6.356 -4.129 -7.129 1.00 0.00 N ATOM 1300 CA THR A 89 6.152 -5.463 -7.678 1.00 0.00 C ATOM 1301 C THR A 89 5.940 -6.488 -6.569 1.00 0.00 C ATOM 1302 O THR A 89 6.845 -6.756 -5.777 1.00 0.00 O ATOM 1303 CB THR A 89 7.347 -5.903 -8.545 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.655 -4.886 -9.505 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.044 -7.209 -9.262 1.00 0.00 C ATOM 0 H THR A 89 7.071 -4.076 -6.404 1.00 0.00 H new ATOM 0 HA THR A 89 5.259 -5.415 -8.301 1.00 0.00 H new ATOM 0 HB THR A 89 8.205 -6.057 -7.891 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.417 -5.172 -10.051 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.902 -7.499 -9.868 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.838 -7.988 -8.528 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.174 -7.078 -9.905 1.00 0.00 H new ATOM 1313 N LEU A 90 4.741 -7.057 -6.517 1.00 0.00 N ATOM 1314 CA LEU A 90 4.411 -8.054 -5.504 1.00 0.00 C ATOM 1315 C LEU A 90 4.589 -9.466 -6.052 1.00 0.00 C ATOM 1316 O LEU A 90 4.415 -9.708 -7.247 1.00 0.00 O ATOM 1317 CB LEU A 90 2.973 -7.860 -5.020 1.00 0.00 C ATOM 1318 CG LEU A 90 2.463 -8.882 -4.003 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.237 -8.769 -2.699 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.973 -8.694 -3.759 1.00 0.00 C ATOM 0 H LEU A 90 3.981 -6.845 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 90 5.092 -7.922 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.890 -6.866 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.313 -7.880 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 90 2.621 -9.881 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.860 -9.504 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.295 -8.954 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.112 -7.768 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.628 -9.430 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.791 -7.691 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.431 -8.827 -4.696 1.00 0.00 H new ATOM 1332 N THR A 91 4.935 -10.398 -5.169 1.00 0.00 N ATOM 1333 CA THR A 91 5.135 -11.787 -5.563 1.00 0.00 C ATOM 1334 C THR A 91 4.295 -12.728 -4.707 1.00 0.00 C ATOM 1335 O THR A 91 4.319 -12.652 -3.478 1.00 0.00 O ATOM 1336 CB THR A 91 6.616 -12.195 -5.451 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.378 -11.559 -6.484 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.772 -13.704 -5.555 1.00 0.00 C ATOM 0 H THR A 91 5.082 -10.216 -4.176 1.00 0.00 H new ATOM 0 HA THR A 91 4.821 -11.868 -6.604 1.00 0.00 H new ATOM 0 HB THR A 91 6.985 -11.875 -4.477 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.319 -11.822 -6.405 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.827 -13.967 -5.473 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.215 -14.184 -4.750 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.387 -14.044 -6.516 1.00 0.00 H new ATOM 1346 N ILE A 92 3.554 -13.614 -5.363 1.00 0.00 N ATOM 1347 CA ILE A 92 2.708 -14.571 -4.661 1.00 0.00 C ATOM 1348 C ILE A 92 3.350 -15.954 -4.631 1.00 0.00 C ATOM 1349 O ILE A 92 4.065 -16.338 -5.557 1.00 0.00 O ATOM 1350 CB ILE A 92 1.317 -14.678 -5.314 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.664 -13.297 -5.403 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.435 -15.637 -4.528 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.219 -12.752 -4.064 1.00 0.00 C ATOM 0 H ILE A 92 3.522 -13.689 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 92 2.595 -14.203 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 92 1.435 -15.069 -6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.369 -12.599 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.198 -13.354 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.544 -15.702 -5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.896 -16.625 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.321 -15.272 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.235 -11.771 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.510 -13.429 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.081 -12.663 -3.403 1.00 0.00 H new ATOM 1365 N ARG A 93 3.089 -16.698 -3.561 1.00 0.00 N ATOM 1366 CA ARG A 93 3.641 -18.039 -3.410 1.00 0.00 C ATOM 1367 C ARG A 93 2.528 -19.076 -3.295 1.00 0.00 C ATOM 1368 O ARG A 93 1.757 -19.069 -2.336 1.00 0.00 O ATOM 1369 CB ARG A 93 4.545 -18.106 -2.177 1.00 0.00 C ATOM 1370 CG ARG A 93 5.958 -17.609 -2.430 1.00 0.00 C ATOM 1371 CD ARG A 93 6.786 -18.640 -3.181 1.00 0.00 C ATOM 1372 NE ARG A 93 8.099 -18.122 -3.554 1.00 0.00 N ATOM 1373 CZ ARG A 93 8.999 -18.821 -4.237 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.727 -20.061 -4.620 1.00 0.00 N ATOM 1375 NH2 ARG A 93 10.172 -18.280 -4.539 1.00 0.00 N ATOM 0 H ARG A 93 2.499 -16.395 -2.786 1.00 0.00 H new ATOM 0 HA ARG A 93 4.232 -18.263 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.099 -17.515 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.589 -19.137 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.922 -16.683 -3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.439 -17.377 -1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.910 -19.527 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.251 -18.951 -4.078 1.00 0.00 H new ATOM 0 HE ARG A 93 8.339 -17.171 -3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.826 -20.480 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.419 -20.596 -5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.384 -17.326 -4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.862 -18.818 -5.063 1.00 0.00 H new ATOM 1389 N ALA A 94 2.450 -19.965 -4.280 1.00 0.00 N ATOM 1390 CA ALA A 94 1.432 -21.008 -4.288 1.00 0.00 C ATOM 1391 C ALA A 94 1.412 -21.766 -2.965 1.00 0.00 C ATOM 1392 O ALA A 94 2.432 -22.300 -2.528 1.00 0.00 O ATOM 1393 CB ALA A 94 1.669 -21.968 -5.445 1.00 0.00 C ATOM 0 H ALA A 94 3.080 -19.984 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 94 0.460 -20.532 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.901 -22.742 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.625 -21.421 -6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.651 -22.430 -5.339 1.00 0.00 H new ATOM 1399 N LEU A 95 0.245 -21.810 -2.331 1.00 0.00 N ATOM 1400 CA LEU A 95 0.092 -22.502 -1.057 1.00 0.00 C ATOM 1401 C LEU A 95 0.572 -23.947 -1.161 1.00 0.00 C ATOM 1402 O LEU A 95 0.519 -24.569 -2.222 1.00 0.00 O ATOM 1403 CB LEU A 95 -1.370 -22.470 -0.608 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.820 -21.203 0.122 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -3.326 -21.028 0.007 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -1.396 -21.251 1.583 1.00 0.00 C ATOM 0 H LEU A 95 -0.609 -21.374 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 95 0.704 -21.987 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.002 -22.603 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.548 -23.324 0.045 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.339 -20.345 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.628 -20.122 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.604 -20.948 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.827 -21.888 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.724 -20.342 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.849 -22.117 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.310 -21.328 1.644 1.00 0.00 H new