USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 456 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 17 CYS SG : rot 46:sc= -0.211 USER MOD Single : A 20 CYS SG : rot -116:sc= 0.0436 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 24:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= 0.0478 (180deg=0) USER MOD Single : A 48 CYS SG : rot 170:sc= -0.786 USER MOD Single : A 51 HIS : no HD1:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 63 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.243 4.925 -3.305 1.00 0.00 N ATOM 60 CA GLY A 7 10.960 3.920 -2.298 1.00 0.00 C ATOM 61 C GLY A 7 10.311 4.506 -1.060 1.00 0.00 C ATOM 62 O GLY A 7 10.979 4.741 -0.052 1.00 0.00 O ATOM 0 HA2 GLY A 7 10.305 3.159 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.887 3.421 -2.017 1.00 0.00 H new ATOM 66 N LEU A 8 9.006 4.744 -1.135 1.00 0.00 N ATOM 67 CA LEU A 8 8.266 5.308 -0.012 1.00 0.00 C ATOM 68 C LEU A 8 7.708 4.205 0.882 1.00 0.00 C ATOM 69 O LEU A 8 7.776 3.023 0.543 1.00 0.00 O ATOM 70 CB LEU A 8 7.127 6.194 -0.519 1.00 0.00 C ATOM 71 CG LEU A 8 7.528 7.585 -1.014 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.182 8.381 0.105 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.462 7.477 -2.210 1.00 0.00 C ATOM 0 H LEU A 8 8.439 4.555 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 8 8.955 5.914 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.622 5.672 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.400 6.312 0.284 1.00 0.00 H new ATOM 0 HG LEU A 8 6.627 8.112 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.461 9.368 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.481 8.489 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.074 7.858 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.737 8.476 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.361 6.932 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.959 6.946 -3.018 1.00 0.00 H new ATOM 85 N LEU A 9 7.153 4.599 2.023 1.00 0.00 N ATOM 86 CA LEU A 9 6.580 3.644 2.965 1.00 0.00 C ATOM 87 C LEU A 9 5.170 4.060 3.372 1.00 0.00 C ATOM 88 O LEU A 9 4.905 5.238 3.613 1.00 0.00 O ATOM 89 CB LEU A 9 7.468 3.526 4.205 1.00 0.00 C ATOM 90 CG LEU A 9 8.852 2.916 3.985 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.732 3.133 5.206 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.736 1.432 3.666 1.00 0.00 C ATOM 0 H LEU A 9 7.088 5.573 2.318 1.00 0.00 H new ATOM 0 HA LEU A 9 6.524 2.673 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.595 4.521 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.942 2.926 4.948 1.00 0.00 H new ATOM 0 HG LEU A 9 9.317 3.415 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.713 2.692 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.842 4.202 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.272 2.661 6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.731 1.014 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.251 0.918 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.143 1.300 2.761 1.00 0.00 H new ATOM 104 N ALA A 10 4.271 3.085 3.450 1.00 0.00 N ATOM 105 CA ALA A 10 2.889 3.349 3.832 1.00 0.00 C ATOM 106 C ALA A 10 2.343 2.237 4.721 1.00 0.00 C ATOM 107 O ALA A 10 2.640 1.061 4.512 1.00 0.00 O ATOM 108 CB ALA A 10 2.020 3.512 2.593 1.00 0.00 C ATOM 0 H ALA A 10 4.475 2.105 3.254 1.00 0.00 H new ATOM 0 HA ALA A 10 2.867 4.278 4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.991 3.709 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.389 4.346 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.056 2.598 2.000 1.00 0.00 H new ATOM 114 N ARG A 11 1.545 2.617 5.713 1.00 0.00 N ATOM 115 CA ARG A 11 0.960 1.652 6.636 1.00 0.00 C ATOM 116 C ARG A 11 -0.362 1.115 6.094 1.00 0.00 C ATOM 117 O ARG A 11 -0.949 1.692 5.179 1.00 0.00 O ATOM 118 CB ARG A 11 0.739 2.293 8.007 1.00 0.00 C ATOM 119 CG ARG A 11 0.468 1.287 9.113 1.00 0.00 C ATOM 120 CD ARG A 11 0.589 1.925 10.488 1.00 0.00 C ATOM 121 NE ARG A 11 1.945 2.396 10.756 1.00 0.00 N ATOM 122 CZ ARG A 11 2.240 3.292 11.691 1.00 0.00 C ATOM 123 NH1 ARG A 11 1.280 3.811 12.444 1.00 0.00 N ATOM 124 NH2 ARG A 11 3.499 3.671 11.875 1.00 0.00 N ATOM 0 H ARG A 11 1.289 3.587 5.898 1.00 0.00 H new ATOM 0 HA ARG A 11 1.656 0.819 6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.618 2.881 8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.100 2.986 7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.532 0.871 8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.171 0.458 9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.106 2.761 10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.299 1.201 11.250 1.00 0.00 H new ATOM 0 HE ARG A 11 2.707 2.016 10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.311 3.522 12.306 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.510 4.499 13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.241 3.274 11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.725 4.359 12.593 1.00 0.00 H new ATOM 138 N ALA A 12 -0.824 0.007 6.665 1.00 0.00 N ATOM 139 CA ALA A 12 -2.076 -0.606 6.241 1.00 0.00 C ATOM 140 C ALA A 12 -3.152 -0.452 7.310 1.00 0.00 C ATOM 141 O ALA A 12 -3.182 -1.201 8.288 1.00 0.00 O ATOM 142 CB ALA A 12 -1.860 -2.076 5.915 1.00 0.00 C ATOM 0 H ALA A 12 -0.349 -0.484 7.423 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.417 -0.092 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.804 -2.521 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.129 -2.167 5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.492 -2.595 6.800 1.00 0.00 H new ATOM 148 N LEU A 13 -4.034 0.523 7.119 1.00 0.00 N ATOM 149 CA LEU A 13 -5.113 0.775 8.068 1.00 0.00 C ATOM 150 C LEU A 13 -6.185 -0.306 7.974 1.00 0.00 C ATOM 151 O LEU A 13 -7.032 -0.433 8.859 1.00 0.00 O ATOM 152 CB LEU A 13 -5.734 2.149 7.810 1.00 0.00 C ATOM 153 CG LEU A 13 -4.751 3.301 7.599 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.491 4.567 7.195 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.931 3.540 8.859 1.00 0.00 C ATOM 0 H LEU A 13 -4.023 1.152 6.316 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.692 0.756 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.373 2.077 6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.379 2.398 8.653 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.070 3.029 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.775 5.376 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.033 4.391 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.195 4.843 7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.237 4.363 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.597 3.790 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.371 2.638 9.105 1.00 0.00 H new ATOM 167 N TYR A 14 -6.142 -1.082 6.897 1.00 0.00 N ATOM 168 CA TYR A 14 -7.110 -2.153 6.688 1.00 0.00 C ATOM 169 C TYR A 14 -6.576 -3.184 5.698 1.00 0.00 C ATOM 170 O TYR A 14 -5.911 -2.838 4.722 1.00 0.00 O ATOM 171 CB TYR A 14 -8.434 -1.579 6.179 1.00 0.00 C ATOM 172 CG TYR A 14 -8.830 -0.283 6.850 1.00 0.00 C ATOM 173 CD1 TYR A 14 -9.572 -0.285 8.024 1.00 0.00 C ATOM 174 CD2 TYR A 14 -8.462 0.943 6.309 1.00 0.00 C ATOM 175 CE1 TYR A 14 -9.937 0.897 8.640 1.00 0.00 C ATOM 176 CE2 TYR A 14 -8.821 2.129 6.919 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.559 2.101 8.084 1.00 0.00 C ATOM 178 OH TYR A 14 -9.920 3.280 8.694 1.00 0.00 O ATOM 0 H TYR A 14 -5.448 -0.990 6.155 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.279 -2.648 7.644 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.359 -1.414 5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.223 -2.315 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.869 -1.226 8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.886 0.969 5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.515 0.878 9.552 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.525 3.073 6.486 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.574 4.036 8.175 1.00 0.00 H new ATOM 188 N ASP A 15 -6.873 -4.452 5.958 1.00 0.00 N ATOM 189 CA ASP A 15 -6.425 -5.536 5.091 1.00 0.00 C ATOM 190 C ASP A 15 -7.059 -5.422 3.708 1.00 0.00 C ATOM 191 O ASP A 15 -7.978 -4.631 3.499 1.00 0.00 O ATOM 192 CB ASP A 15 -6.768 -6.890 5.713 1.00 0.00 C ATOM 193 CG ASP A 15 -8.263 -7.110 5.835 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.847 -6.664 6.845 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.849 -7.728 4.922 1.00 0.00 O ATOM 0 H ASP A 15 -7.422 -4.755 6.762 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.343 -5.459 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.335 -7.685 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.312 -6.959 6.701 1.00 0.00 H new ATOM 200 N ASN A 16 -6.560 -6.217 2.767 1.00 0.00 N ATOM 201 CA ASN A 16 -7.077 -6.204 1.403 1.00 0.00 C ATOM 202 C ASN A 16 -7.156 -7.619 0.838 1.00 0.00 C ATOM 203 O ASN A 16 -6.194 -8.384 0.916 1.00 0.00 O ATOM 204 CB ASN A 16 -6.191 -5.335 0.508 1.00 0.00 C ATOM 205 CG ASN A 16 -6.741 -5.207 -0.900 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.800 -4.617 -1.113 1.00 0.00 O ATOM 207 ND2 ASN A 16 -6.020 -5.761 -1.868 1.00 0.00 N ATOM 0 H ASN A 16 -5.799 -6.878 2.924 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.082 -5.784 1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.095 -4.343 0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.190 -5.764 0.467 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.338 -5.707 -2.836 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.148 -6.240 -1.644 1.00 0.00 H new ATOM 214 N CYS A 17 -8.307 -7.959 0.269 1.00 0.00 N ATOM 215 CA CYS A 17 -8.513 -9.283 -0.309 1.00 0.00 C ATOM 216 C CYS A 17 -8.547 -9.211 -1.832 1.00 0.00 C ATOM 217 O CYS A 17 -9.605 -9.091 -2.449 1.00 0.00 O ATOM 218 CB CYS A 17 -9.813 -9.894 0.214 1.00 0.00 C ATOM 219 SG CYS A 17 -11.286 -8.906 -0.135 1.00 0.00 S ATOM 0 H CYS A 17 -9.112 -7.337 0.195 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.677 -9.917 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.940 -10.883 -0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.729 -10.033 1.292 1.00 0.00 H new ATOM 0 HG CYS A 17 -11.261 -8.513 -1.374 1.00 0.00 H new ATOM 225 N PRO A 18 -7.361 -9.284 -2.455 1.00 0.00 N ATOM 226 CA PRO A 18 -7.228 -9.229 -3.914 1.00 0.00 C ATOM 227 C PRO A 18 -7.773 -10.480 -4.594 1.00 0.00 C ATOM 228 O PRO A 18 -7.357 -11.597 -4.286 1.00 0.00 O ATOM 229 CB PRO A 18 -5.717 -9.119 -4.129 1.00 0.00 C ATOM 230 CG PRO A 18 -5.116 -9.736 -2.913 1.00 0.00 C ATOM 231 CD PRO A 18 -6.059 -9.428 -1.783 1.00 0.00 C ATOM 0 HA PRO A 18 -7.795 -8.403 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.407 -9.642 -5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.407 -8.080 -4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.997 -10.812 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.125 -9.327 -2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.075 -10.228 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.774 -8.516 -1.259 1.00 0.00 H new ATOM 239 N ASP A 19 -8.706 -10.286 -5.520 1.00 0.00 N ATOM 240 CA ASP A 19 -9.307 -11.399 -6.245 1.00 0.00 C ATOM 241 C ASP A 19 -8.324 -11.985 -7.253 1.00 0.00 C ATOM 242 O ASP A 19 -8.413 -13.160 -7.611 1.00 0.00 O ATOM 243 CB ASP A 19 -10.579 -10.942 -6.960 1.00 0.00 C ATOM 244 CG ASP A 19 -11.213 -12.050 -7.779 1.00 0.00 C ATOM 245 OD1 ASP A 19 -11.744 -13.005 -7.173 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.177 -11.963 -9.024 1.00 0.00 O ATOM 0 H ASP A 19 -9.062 -9.368 -5.786 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.564 -12.174 -5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.297 -10.582 -6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.343 -10.101 -7.612 1.00 0.00 H new ATOM 251 N CYS A 20 -7.388 -11.159 -7.708 1.00 0.00 N ATOM 252 CA CYS A 20 -6.389 -11.595 -8.677 1.00 0.00 C ATOM 253 C CYS A 20 -4.992 -11.152 -8.254 1.00 0.00 C ATOM 254 O CYS A 20 -4.837 -10.352 -7.332 1.00 0.00 O ATOM 255 CB CYS A 20 -6.716 -11.039 -10.063 1.00 0.00 C ATOM 256 SG CYS A 20 -6.056 -12.024 -11.428 1.00 0.00 S ATOM 0 H CYS A 20 -7.300 -10.184 -7.421 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.408 -12.684 -8.717 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.799 -10.970 -10.169 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.323 -10.025 -10.138 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.184 -11.321 -12.089 1.00 0.00 H new ATOM 262 N SER A 21 -3.979 -11.677 -8.935 1.00 0.00 N ATOM 263 CA SER A 21 -2.594 -11.340 -8.627 1.00 0.00 C ATOM 264 C SER A 21 -2.350 -9.843 -8.793 1.00 0.00 C ATOM 265 O SER A 21 -1.514 -9.259 -8.103 1.00 0.00 O ATOM 266 CB SER A 21 -1.642 -12.128 -9.529 1.00 0.00 C ATOM 267 OG SER A 21 -1.764 -13.522 -9.305 1.00 0.00 O ATOM 0 H SER A 21 -4.091 -12.338 -9.704 1.00 0.00 H new ATOM 0 HA SER A 21 -2.403 -11.608 -7.588 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.857 -11.904 -10.574 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.615 -11.815 -9.341 1.00 0.00 H new ATOM 0 HG SER A 21 -1.147 -14.003 -9.895 1.00 0.00 H new ATOM 273 N ASP A 22 -3.084 -9.230 -9.715 1.00 0.00 N ATOM 274 CA ASP A 22 -2.949 -7.801 -9.973 1.00 0.00 C ATOM 275 C ASP A 22 -2.833 -7.021 -8.667 1.00 0.00 C ATOM 276 O ASP A 22 -1.860 -6.301 -8.447 1.00 0.00 O ATOM 277 CB ASP A 22 -4.143 -7.292 -10.781 1.00 0.00 C ATOM 278 CG ASP A 22 -4.264 -7.975 -12.129 1.00 0.00 C ATOM 279 OD1 ASP A 22 -4.211 -9.222 -12.168 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.410 -7.263 -13.145 1.00 0.00 O ATOM 0 H ASP A 22 -3.778 -9.700 -10.296 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.037 -7.646 -10.550 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.058 -7.454 -10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.046 -6.217 -10.929 1.00 0.00 H new ATOM 285 N GLU A 23 -3.834 -7.170 -7.804 1.00 0.00 N ATOM 286 CA GLU A 23 -3.844 -6.477 -6.521 1.00 0.00 C ATOM 287 C GLU A 23 -2.940 -7.183 -5.515 1.00 0.00 C ATOM 288 O GLU A 23 -2.535 -8.328 -5.722 1.00 0.00 O ATOM 289 CB GLU A 23 -5.270 -6.396 -5.972 1.00 0.00 C ATOM 290 CG GLU A 23 -6.139 -5.373 -6.685 1.00 0.00 C ATOM 291 CD GLU A 23 -7.615 -5.712 -6.614 1.00 0.00 C ATOM 292 OE1 GLU A 23 -8.184 -5.660 -5.504 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.202 -6.028 -7.670 1.00 0.00 O ATOM 0 H GLU A 23 -4.647 -7.763 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.465 -5.467 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.738 -7.377 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.229 -6.149 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.974 -4.390 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.835 -5.308 -7.730 1.00 0.00 H new ATOM 300 N LEU A 24 -2.626 -6.493 -4.424 1.00 0.00 N ATOM 301 CA LEU A 24 -1.769 -7.052 -3.384 1.00 0.00 C ATOM 302 C LEU A 24 -2.601 -7.601 -2.230 1.00 0.00 C ATOM 303 O LEU A 24 -3.757 -7.222 -2.050 1.00 0.00 O ATOM 304 CB LEU A 24 -0.799 -5.987 -2.868 1.00 0.00 C ATOM 305 CG LEU A 24 0.551 -6.497 -2.364 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.623 -5.432 -2.539 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.451 -6.921 -0.906 1.00 0.00 C ATOM 0 H LEU A 24 -2.952 -5.545 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.199 -7.873 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.618 -5.270 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.285 -5.443 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 24 0.833 -7.368 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.577 -5.813 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.713 -5.177 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.348 -4.542 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.421 -7.281 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.146 -6.068 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.287 -7.718 -0.809 1.00 0.00 H new ATOM 319 N ALA A 25 -2.002 -8.496 -1.450 1.00 0.00 N ATOM 320 CA ALA A 25 -2.686 -9.094 -0.310 1.00 0.00 C ATOM 321 C ALA A 25 -1.952 -8.792 0.991 1.00 0.00 C ATOM 322 O ALA A 25 -0.905 -9.376 1.275 1.00 0.00 O ATOM 323 CB ALA A 25 -2.822 -10.597 -0.506 1.00 0.00 C ATOM 0 H ALA A 25 -1.045 -8.822 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.682 -8.656 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.335 -11.031 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.397 -10.795 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.832 -11.043 -0.601 1.00 0.00 H new ATOM 329 N PHE A 26 -2.506 -7.877 1.780 1.00 0.00 N ATOM 330 CA PHE A 26 -1.902 -7.496 3.051 1.00 0.00 C ATOM 331 C PHE A 26 -2.961 -7.379 4.143 1.00 0.00 C ATOM 332 O PHE A 26 -4.147 -7.210 3.858 1.00 0.00 O ATOM 333 CB PHE A 26 -1.153 -6.169 2.907 1.00 0.00 C ATOM 334 CG PHE A 26 -2.027 -5.034 2.456 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.207 -4.775 1.106 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.669 -4.226 3.380 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.009 -3.731 0.688 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.473 -3.180 2.968 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.644 -2.933 1.620 1.00 0.00 C ATOM 0 H PHE A 26 -3.373 -7.386 1.561 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.195 -8.275 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.700 -5.911 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.339 -6.296 2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.715 -5.397 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.540 -4.416 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.140 -3.539 -0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.967 -2.557 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.273 -2.117 1.295 1.00 0.00 H new ATOM 349 N SER A 27 -2.524 -7.472 5.395 1.00 0.00 N ATOM 350 CA SER A 27 -3.435 -7.381 6.531 1.00 0.00 C ATOM 351 C SER A 27 -3.070 -6.202 7.427 1.00 0.00 C ATOM 352 O SER A 27 -1.893 -5.927 7.661 1.00 0.00 O ATOM 353 CB SER A 27 -3.405 -8.679 7.340 1.00 0.00 C ATOM 354 OG SER A 27 -3.791 -9.786 6.544 1.00 0.00 O ATOM 0 H SER A 27 -1.546 -7.610 5.649 1.00 0.00 H new ATOM 0 HA SER A 27 -4.442 -7.224 6.146 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.402 -8.843 7.734 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.073 -8.593 8.197 1.00 0.00 H new ATOM 0 HG SER A 27 -3.762 -10.603 7.084 1.00 0.00 H new ATOM 360 N ARG A 28 -4.088 -5.508 7.925 1.00 0.00 N ATOM 361 CA ARG A 28 -3.876 -4.357 8.794 1.00 0.00 C ATOM 362 C ARG A 28 -2.691 -4.591 9.727 1.00 0.00 C ATOM 363 O ARG A 28 -2.674 -5.551 10.496 1.00 0.00 O ATOM 364 CB ARG A 28 -5.136 -4.071 9.614 1.00 0.00 C ATOM 365 CG ARG A 28 -4.866 -3.299 10.895 1.00 0.00 C ATOM 366 CD ARG A 28 -4.405 -1.880 10.605 1.00 0.00 C ATOM 367 NE ARG A 28 -4.723 -0.966 11.699 1.00 0.00 N ATOM 368 CZ ARG A 28 -4.184 0.241 11.829 1.00 0.00 C ATOM 369 NH1 ARG A 28 -3.306 0.678 10.937 1.00 0.00 N ATOM 370 NH2 ARG A 28 -4.523 1.014 12.853 1.00 0.00 N ATOM 0 H ARG A 28 -5.068 -5.723 7.741 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.656 -3.494 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.838 -3.506 9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.619 -5.016 9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.771 -3.272 11.502 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.106 -3.817 11.480 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.329 -1.877 10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.877 -1.526 9.688 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.396 -1.271 12.402 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.043 0.087 10.148 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.894 1.605 11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.198 0.681 13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.108 1.941 12.952 1.00 0.00 H new ATOM 384 N GLY A 29 -1.701 -3.707 9.653 1.00 0.00 N ATOM 385 CA GLY A 29 -0.527 -3.835 10.495 1.00 0.00 C ATOM 386 C GLY A 29 0.706 -4.244 9.713 1.00 0.00 C ATOM 387 O GLY A 29 1.589 -4.920 10.241 1.00 0.00 O ATOM 0 H GLY A 29 -1.691 -2.904 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.337 -2.885 10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.721 -4.573 11.274 1.00 0.00 H new ATOM 391 N ASP A 30 0.765 -3.836 8.450 1.00 0.00 N ATOM 392 CA ASP A 30 1.899 -4.164 7.593 1.00 0.00 C ATOM 393 C ASP A 30 2.288 -2.971 6.726 1.00 0.00 C ATOM 394 O ASP A 30 1.488 -2.487 5.925 1.00 0.00 O ATOM 395 CB ASP A 30 1.564 -5.366 6.708 1.00 0.00 C ATOM 396 CG ASP A 30 1.585 -6.673 7.476 1.00 0.00 C ATOM 397 OD1 ASP A 30 0.677 -6.888 8.306 1.00 0.00 O ATOM 398 OD2 ASP A 30 2.509 -7.482 7.247 1.00 0.00 O ATOM 0 H ASP A 30 0.041 -3.278 7.997 1.00 0.00 H new ATOM 0 HA ASP A 30 2.745 -4.417 8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.578 -5.224 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.278 -5.419 5.886 1.00 0.00 H new ATOM 403 N ILE A 31 3.520 -2.502 6.893 1.00 0.00 N ATOM 404 CA ILE A 31 4.014 -1.366 6.125 1.00 0.00 C ATOM 405 C ILE A 31 4.339 -1.770 4.691 1.00 0.00 C ATOM 406 O ILE A 31 5.276 -2.531 4.446 1.00 0.00 O ATOM 407 CB ILE A 31 5.272 -0.755 6.771 1.00 0.00 C ATOM 408 CG1 ILE A 31 4.895 0.033 8.028 1.00 0.00 C ATOM 409 CG2 ILE A 31 5.997 0.140 5.777 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.235 -0.812 9.095 1.00 0.00 C ATOM 0 H ILE A 31 4.194 -2.891 7.553 1.00 0.00 H new ATOM 0 HA ILE A 31 3.219 -0.620 6.118 1.00 0.00 H new ATOM 0 HB ILE A 31 5.943 -1.564 7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.793 0.491 8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.222 0.844 7.750 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.883 0.564 6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.294 -0.447 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.334 0.945 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.995 -0.189 9.956 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.319 -1.250 8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.914 -1.608 9.401 1.00 0.00 H new ATOM 422 N LEU A 32 3.559 -1.255 3.747 1.00 0.00 N ATOM 423 CA LEU A 32 3.764 -1.561 2.335 1.00 0.00 C ATOM 424 C LEU A 32 4.776 -0.605 1.712 1.00 0.00 C ATOM 425 O LEU A 32 4.671 0.613 1.863 1.00 0.00 O ATOM 426 CB LEU A 32 2.437 -1.481 1.578 1.00 0.00 C ATOM 427 CG LEU A 32 1.586 -2.752 1.579 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.425 -3.956 1.178 1.00 0.00 C ATOM 429 CD2 LEU A 32 0.956 -2.971 2.947 1.00 0.00 C ATOM 0 H LEU A 32 2.779 -0.624 3.933 1.00 0.00 H new ATOM 0 HA LEU A 32 4.157 -2.575 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.846 -0.671 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.648 -1.209 0.544 1.00 0.00 H new ATOM 0 HG LEU A 32 0.787 -2.632 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.803 -4.851 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.828 -3.801 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.246 -4.079 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.354 -3.880 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.741 -3.070 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.321 -2.120 3.196 1.00 0.00 H new ATOM 441 N THR A 33 5.756 -1.164 1.009 1.00 0.00 N ATOM 442 CA THR A 33 6.786 -0.362 0.362 1.00 0.00 C ATOM 443 C THR A 33 6.333 0.108 -1.015 1.00 0.00 C ATOM 444 O THR A 33 6.385 -0.647 -1.987 1.00 0.00 O ATOM 445 CB THR A 33 8.102 -1.150 0.216 1.00 0.00 C ATOM 446 OG1 THR A 33 8.576 -1.556 1.505 1.00 0.00 O ATOM 447 CG2 THR A 33 9.162 -0.308 -0.478 1.00 0.00 C ATOM 0 H THR A 33 5.858 -2.170 0.873 1.00 0.00 H new ATOM 0 HA THR A 33 6.959 0.505 1.000 1.00 0.00 H new ATOM 0 HB THR A 33 7.906 -2.033 -0.392 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.412 -2.058 1.403 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.082 -0.885 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.810 -0.025 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.354 0.591 0.108 1.00 0.00 H new ATOM 455 N ILE A 34 5.890 1.358 -1.092 1.00 0.00 N ATOM 456 CA ILE A 34 5.429 1.929 -2.352 1.00 0.00 C ATOM 457 C ILE A 34 6.581 2.081 -3.340 1.00 0.00 C ATOM 458 O ILE A 34 7.520 2.842 -3.103 1.00 0.00 O ATOM 459 CB ILE A 34 4.765 3.302 -2.139 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.611 3.186 -1.141 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.273 3.864 -3.464 1.00 0.00 C ATOM 462 CD1 ILE A 34 3.112 4.521 -0.636 1.00 0.00 C ATOM 0 H ILE A 34 5.840 1.995 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 34 4.691 1.238 -2.761 1.00 0.00 H new ATOM 0 HB ILE A 34 5.507 3.988 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.785 2.654 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.935 2.584 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.806 4.835 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.116 3.979 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.544 3.181 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.294 4.362 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.924 5.047 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.757 5.118 -1.476 1.00 0.00 H new ATOM 474 N LEU A 35 6.501 1.355 -4.449 1.00 0.00 N ATOM 475 CA LEU A 35 7.536 1.410 -5.476 1.00 0.00 C ATOM 476 C LEU A 35 7.271 2.550 -6.455 1.00 0.00 C ATOM 477 O LEU A 35 8.192 3.256 -6.863 1.00 0.00 O ATOM 478 CB LEU A 35 7.606 0.081 -6.230 1.00 0.00 C ATOM 479 CG LEU A 35 7.727 -1.175 -5.366 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.135 -2.377 -6.085 1.00 0.00 C ATOM 481 CD2 LEU A 35 9.182 -1.433 -5.002 1.00 0.00 C ATOM 0 H LEU A 35 5.730 0.721 -4.661 1.00 0.00 H new ATOM 0 HA LEU A 35 8.492 1.592 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.712 -0.011 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.459 0.115 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 35 7.165 -1.015 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.230 -3.261 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.081 -2.193 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.668 -2.540 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.250 -2.330 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.766 -1.572 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.574 -0.582 -4.446 1.00 0.00 H new ATOM 493 N GLU A 36 6.006 2.723 -6.826 1.00 0.00 N ATOM 494 CA GLU A 36 5.621 3.778 -7.756 1.00 0.00 C ATOM 495 C GLU A 36 4.237 4.324 -7.417 1.00 0.00 C ATOM 496 O GLU A 36 3.252 3.586 -7.413 1.00 0.00 O ATOM 497 CB GLU A 36 5.636 3.252 -9.193 1.00 0.00 C ATOM 498 CG GLU A 36 4.428 2.399 -9.541 1.00 0.00 C ATOM 499 CD GLU A 36 4.601 1.648 -10.847 1.00 0.00 C ATOM 500 OE1 GLU A 36 5.751 1.287 -11.175 1.00 0.00 O ATOM 501 OE2 GLU A 36 3.588 1.422 -11.541 1.00 0.00 O ATOM 0 H GLU A 36 5.231 2.147 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 36 6.344 4.588 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.684 4.097 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.541 2.665 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.248 1.685 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.545 3.035 -9.606 1.00 0.00 H new ATOM 508 N GLN A 37 4.173 5.620 -7.132 1.00 0.00 N ATOM 509 CA GLN A 37 2.910 6.265 -6.790 1.00 0.00 C ATOM 510 C GLN A 37 2.047 6.465 -8.032 1.00 0.00 C ATOM 511 O GLN A 37 0.829 6.290 -7.988 1.00 0.00 O ATOM 512 CB GLN A 37 3.168 7.611 -6.111 1.00 0.00 C ATOM 513 CG GLN A 37 4.005 7.505 -4.847 1.00 0.00 C ATOM 514 CD GLN A 37 3.869 8.721 -3.952 1.00 0.00 C ATOM 515 OE1 GLN A 37 3.845 9.856 -4.429 1.00 0.00 O ATOM 516 NE2 GLN A 37 3.778 8.490 -2.648 1.00 0.00 N ATOM 0 H GLN A 37 4.980 6.244 -7.131 1.00 0.00 H new ATOM 0 HA GLN A 37 2.374 5.615 -6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.671 8.273 -6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.212 8.074 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.707 6.615 -4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.052 7.375 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.802 7.533 -2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.684 9.270 -1.997 1.00 0.00 H new ATOM 525 N HIS A 38 2.687 6.832 -9.138 1.00 0.00 N ATOM 526 CA HIS A 38 1.977 7.056 -10.392 1.00 0.00 C ATOM 527 C HIS A 38 1.664 5.732 -11.083 1.00 0.00 C ATOM 528 O HIS A 38 2.565 5.041 -11.559 1.00 0.00 O ATOM 529 CB HIS A 38 2.806 7.945 -11.320 1.00 0.00 C ATOM 530 CG HIS A 38 1.983 8.704 -12.315 1.00 0.00 C ATOM 531 ND1 HIS A 38 1.304 9.863 -12.002 1.00 0.00 N ATOM 532 CD2 HIS A 38 1.734 8.465 -13.624 1.00 0.00 C ATOM 533 CE1 HIS A 38 0.671 10.302 -13.075 1.00 0.00 C ATOM 534 NE2 HIS A 38 0.916 9.472 -14.073 1.00 0.00 N ATOM 0 H HIS A 38 3.695 6.980 -9.191 1.00 0.00 H new ATOM 0 HA HIS A 38 1.037 7.558 -10.164 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.377 8.652 -10.718 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.527 7.326 -11.854 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.109 7.637 -14.207 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.057 11.189 -13.127 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.556 9.564 -15.023 1.00 0.00 H new ATOM 543 N VAL A 39 0.382 5.385 -11.133 1.00 0.00 N ATOM 544 CA VAL A 39 -0.050 4.144 -11.766 1.00 0.00 C ATOM 545 C VAL A 39 -1.166 4.400 -12.772 1.00 0.00 C ATOM 546 O VAL A 39 -2.347 4.442 -12.429 1.00 0.00 O ATOM 547 CB VAL A 39 -0.539 3.123 -10.722 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.765 1.765 -11.369 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.454 3.017 -9.574 1.00 0.00 C ATOM 0 H VAL A 39 -0.376 5.945 -10.743 1.00 0.00 H new ATOM 0 HA VAL A 39 0.816 3.735 -12.286 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.490 3.470 -10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.110 1.056 -10.616 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.516 1.856 -12.153 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.170 1.408 -11.802 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.092 2.291 -8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.421 2.694 -9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.561 3.990 -9.094 1.00 0.00 H new ATOM 559 N PRO A 40 -0.785 4.575 -14.046 1.00 0.00 N ATOM 560 CA PRO A 40 -1.739 4.828 -15.130 1.00 0.00 C ATOM 561 C PRO A 40 -2.591 3.605 -15.450 1.00 0.00 C ATOM 562 O PRO A 40 -3.622 3.713 -16.113 1.00 0.00 O ATOM 563 CB PRO A 40 -0.840 5.179 -16.319 1.00 0.00 C ATOM 564 CG PRO A 40 0.458 4.510 -16.023 1.00 0.00 C ATOM 565 CD PRO A 40 0.607 4.537 -14.527 1.00 0.00 C ATOM 0 HA PRO A 40 -2.452 5.611 -14.871 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.265 4.821 -17.256 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.716 6.258 -16.417 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.463 3.486 -16.397 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.284 5.031 -16.507 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.135 3.657 -14.160 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.171 5.409 -14.195 1.00 0.00 H new ATOM 573 N GLU A 41 -2.154 2.444 -14.973 1.00 0.00 N ATOM 574 CA GLU A 41 -2.879 1.201 -15.210 1.00 0.00 C ATOM 575 C GLU A 41 -4.080 1.085 -14.276 1.00 0.00 C ATOM 576 O GLU A 41 -5.087 0.464 -14.617 1.00 0.00 O ATOM 577 CB GLU A 41 -1.951 -0.001 -15.017 1.00 0.00 C ATOM 578 CG GLU A 41 -0.710 0.041 -15.893 1.00 0.00 C ATOM 579 CD GLU A 41 0.182 -1.169 -15.698 1.00 0.00 C ATOM 580 OE1 GLU A 41 0.291 -1.649 -14.550 1.00 0.00 O ATOM 581 OE2 GLU A 41 0.772 -1.637 -16.695 1.00 0.00 O ATOM 0 H GLU A 41 -1.303 2.338 -14.421 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.240 1.211 -16.238 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.646 -0.050 -13.972 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.505 -0.915 -15.230 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.010 0.102 -16.939 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.143 0.945 -15.671 1.00 0.00 H new ATOM 588 N SER A 42 -3.966 1.688 -13.097 1.00 0.00 N ATOM 589 CA SER A 42 -5.040 1.649 -12.112 1.00 0.00 C ATOM 590 C SER A 42 -5.168 2.990 -11.395 1.00 0.00 C ATOM 591 O SER A 42 -4.240 3.438 -10.724 1.00 0.00 O ATOM 592 CB SER A 42 -4.787 0.536 -11.093 1.00 0.00 C ATOM 593 OG SER A 42 -5.315 -0.699 -11.545 1.00 0.00 O ATOM 0 H SER A 42 -3.141 2.209 -12.801 1.00 0.00 H new ATOM 0 HA SER A 42 -5.973 1.446 -12.637 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.716 0.435 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.242 0.802 -10.139 1.00 0.00 H new ATOM 0 HG SER A 42 -5.387 -0.686 -12.522 1.00 0.00 H new ATOM 599 N GLU A 43 -6.327 3.625 -11.545 1.00 0.00 N ATOM 600 CA GLU A 43 -6.577 4.915 -10.913 1.00 0.00 C ATOM 601 C GLU A 43 -6.940 4.739 -9.441 1.00 0.00 C ATOM 602 O GLU A 43 -7.968 4.151 -9.110 1.00 0.00 O ATOM 603 CB GLU A 43 -7.700 5.656 -11.641 1.00 0.00 C ATOM 604 CG GLU A 43 -9.078 5.064 -11.397 1.00 0.00 C ATOM 605 CD GLU A 43 -9.764 5.663 -10.185 1.00 0.00 C ATOM 606 OE1 GLU A 43 -9.085 6.360 -9.402 1.00 0.00 O ATOM 607 OE2 GLU A 43 -10.981 5.436 -10.019 1.00 0.00 O ATOM 0 H GLU A 43 -7.106 3.267 -12.098 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.662 5.504 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.701 6.699 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.495 5.648 -12.711 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.699 5.225 -12.278 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.988 3.986 -11.263 1.00 0.00 H new ATOM 614 N GLY A 44 -6.085 5.253 -8.561 1.00 0.00 N ATOM 615 CA GLY A 44 -6.333 5.142 -7.135 1.00 0.00 C ATOM 616 C GLY A 44 -5.715 3.894 -6.536 1.00 0.00 C ATOM 617 O GLY A 44 -6.262 3.312 -5.599 1.00 0.00 O ATOM 0 H GLY A 44 -5.226 5.744 -8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.932 6.021 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.408 5.134 -6.956 1.00 0.00 H new ATOM 621 N TRP A 45 -4.575 3.482 -7.077 1.00 0.00 N ATOM 622 CA TRP A 45 -3.884 2.293 -6.590 1.00 0.00 C ATOM 623 C TRP A 45 -2.382 2.537 -6.495 1.00 0.00 C ATOM 624 O TRP A 45 -1.839 3.398 -7.188 1.00 0.00 O ATOM 625 CB TRP A 45 -4.163 1.103 -7.509 1.00 0.00 C ATOM 626 CG TRP A 45 -5.576 0.610 -7.430 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.657 1.110 -8.096 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.059 -0.480 -6.637 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.784 0.397 -7.766 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.444 -0.585 -6.873 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.457 -1.379 -5.753 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.233 -1.551 -6.255 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.242 -2.338 -5.140 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.618 -2.418 -5.394 1.00 0.00 C ATOM 0 H TRP A 45 -4.109 3.953 -7.853 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.260 2.068 -5.592 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.942 1.388 -8.538 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.486 0.288 -7.252 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.630 1.944 -8.782 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.722 0.571 -8.127 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.397 -1.326 -5.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.294 -1.614 -6.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.787 -3.037 -4.454 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.204 -3.179 -4.900 1.00 0.00 H new ATOM 645 N TRP A 46 -1.716 1.776 -5.635 1.00 0.00 N ATOM 646 CA TRP A 46 -0.275 1.910 -5.451 1.00 0.00 C ATOM 647 C TRP A 46 0.416 0.555 -5.556 1.00 0.00 C ATOM 648 O TRP A 46 -0.048 -0.435 -4.991 1.00 0.00 O ATOM 649 CB TRP A 46 0.029 2.548 -4.094 1.00 0.00 C ATOM 650 CG TRP A 46 -0.160 4.034 -4.080 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.039 4.886 -5.142 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.501 4.845 -2.950 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.284 6.176 -4.739 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.571 6.178 -3.400 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.756 4.574 -1.604 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -0.884 7.234 -2.549 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.066 5.623 -0.760 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.129 6.940 -1.235 1.00 0.00 C ATOM 0 H TRP A 46 -2.150 1.059 -5.054 1.00 0.00 H new ATOM 0 HA TRP A 46 0.109 2.554 -6.242 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.615 2.100 -3.338 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.057 2.317 -3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.212 4.589 -6.149 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.257 7.000 -5.340 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.712 3.562 -1.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -0.932 8.250 -2.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.263 5.425 0.283 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.376 7.738 -0.551 1.00 0.00 H new ATOM 669 N LYS A 47 1.527 0.518 -6.284 1.00 0.00 N ATOM 670 CA LYS A 47 2.284 -0.715 -6.463 1.00 0.00 C ATOM 671 C LYS A 47 3.308 -0.892 -5.346 1.00 0.00 C ATOM 672 O LYS A 47 4.411 -0.348 -5.411 1.00 0.00 O ATOM 673 CB LYS A 47 2.990 -0.712 -7.820 1.00 0.00 C ATOM 674 CG LYS A 47 3.199 -2.101 -8.400 1.00 0.00 C ATOM 675 CD LYS A 47 3.473 -2.046 -9.894 1.00 0.00 C ATOM 676 CE LYS A 47 4.884 -1.556 -10.184 1.00 0.00 C ATOM 677 NZ LYS A 47 5.250 -1.736 -11.616 1.00 0.00 N ATOM 0 H LYS A 47 1.923 1.329 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 47 1.584 -1.550 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.406 -0.118 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.958 -0.222 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.034 -2.586 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.315 -2.711 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.334 -3.037 -10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.751 -1.385 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.964 -0.502 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.593 -2.097 -9.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.015 -2.436 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.421 -2.070 -12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.570 -0.828 -12.009 1.00 0.00 H new ATOM 691 N CYS A 48 2.937 -1.656 -4.325 1.00 0.00 N ATOM 692 CA CYS A 48 3.824 -1.905 -3.194 1.00 0.00 C ATOM 693 C CYS A 48 4.419 -3.307 -3.268 1.00 0.00 C ATOM 694 O CYS A 48 3.978 -4.139 -4.062 1.00 0.00 O ATOM 695 CB CYS A 48 3.067 -1.728 -1.877 1.00 0.00 C ATOM 696 SG CYS A 48 1.936 -0.317 -1.859 1.00 0.00 S ATOM 0 H CYS A 48 2.028 -2.114 -4.257 1.00 0.00 H new ATOM 0 HA CYS A 48 4.638 -1.182 -3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.501 -2.636 -1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.789 -1.612 -1.068 1.00 0.00 H new ATOM 0 HG CYS A 48 1.190 -0.372 -0.796 1.00 0.00 H new ATOM 702 N LEU A 49 5.423 -3.563 -2.437 1.00 0.00 N ATOM 703 CA LEU A 49 6.081 -4.864 -2.410 1.00 0.00 C ATOM 704 C LEU A 49 6.055 -5.458 -1.005 1.00 0.00 C ATOM 705 O LEU A 49 6.509 -4.831 -0.046 1.00 0.00 O ATOM 706 CB LEU A 49 7.526 -4.738 -2.895 1.00 0.00 C ATOM 707 CG LEU A 49 8.322 -6.041 -2.980 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.559 -6.613 -1.591 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.600 -7.051 -3.859 1.00 0.00 C ATOM 0 H LEU A 49 5.799 -2.887 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 49 5.537 -5.532 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.518 -4.276 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.054 -4.056 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 49 9.290 -5.824 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.127 -7.540 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.119 -5.895 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.601 -6.815 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.181 -7.972 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.618 -7.264 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.483 -6.642 -4.863 1.00 0.00 H new ATOM 721 N LEU A 50 5.523 -6.670 -0.890 1.00 0.00 N ATOM 722 CA LEU A 50 5.440 -7.350 0.398 1.00 0.00 C ATOM 723 C LEU A 50 5.567 -8.860 0.226 1.00 0.00 C ATOM 724 O LEU A 50 4.949 -9.448 -0.662 1.00 0.00 O ATOM 725 CB LEU A 50 4.118 -7.013 1.090 1.00 0.00 C ATOM 726 CG LEU A 50 3.999 -7.440 2.554 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.552 -6.361 3.471 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.551 -7.749 2.903 1.00 0.00 C ATOM 0 H LEU A 50 5.143 -7.202 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 50 6.267 -7.003 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.966 -5.935 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.308 -7.480 0.529 1.00 0.00 H new ATOM 0 HG LEU A 50 4.588 -8.346 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.459 -6.682 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.603 -6.188 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.992 -5.438 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.485 -8.051 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.941 -6.860 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.188 -8.557 2.268 1.00 0.00 H new ATOM 740 N HIS A 51 6.370 -9.483 1.082 1.00 0.00 N ATOM 741 CA HIS A 51 6.576 -10.926 1.026 1.00 0.00 C ATOM 742 C HIS A 51 6.606 -11.415 -0.419 1.00 0.00 C ATOM 743 O HIS A 51 6.032 -12.452 -0.746 1.00 0.00 O ATOM 744 CB HIS A 51 5.472 -11.650 1.798 1.00 0.00 C ATOM 745 CG HIS A 51 5.558 -11.463 3.282 1.00 0.00 C ATOM 746 ND1 HIS A 51 5.210 -12.444 4.185 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.956 -10.399 4.018 1.00 0.00 C ATOM 748 CE1 HIS A 51 5.389 -11.992 5.414 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.842 -10.754 5.340 1.00 0.00 N ATOM 0 H HIS A 51 6.889 -9.011 1.823 1.00 0.00 H new ATOM 0 HA HIS A 51 7.538 -11.149 1.487 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.503 -11.293 1.451 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.519 -12.715 1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.299 -9.448 3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.197 -12.542 6.324 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.070 -10.158 6.136 1.00 0.00 H new ATOM 758 N GLY A 52 7.281 -10.659 -1.281 1.00 0.00 N ATOM 759 CA GLY A 52 7.373 -11.031 -2.680 1.00 0.00 C ATOM 760 C GLY A 52 6.019 -11.062 -3.362 1.00 0.00 C ATOM 761 O GLY A 52 5.657 -12.054 -3.994 1.00 0.00 O ATOM 0 H GLY A 52 7.765 -9.796 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.022 -10.325 -3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.840 -12.012 -2.762 1.00 0.00 H new ATOM 765 N ARG A 53 5.269 -9.972 -3.234 1.00 0.00 N ATOM 766 CA ARG A 53 3.947 -9.879 -3.840 1.00 0.00 C ATOM 767 C ARG A 53 3.991 -9.041 -5.115 1.00 0.00 C ATOM 768 O ARG A 53 3.610 -9.508 -6.188 1.00 0.00 O ATOM 769 CB ARG A 53 2.951 -9.270 -2.852 1.00 0.00 C ATOM 770 CG ARG A 53 2.565 -10.209 -1.720 1.00 0.00 C ATOM 771 CD ARG A 53 1.402 -11.107 -2.113 1.00 0.00 C ATOM 772 NE ARG A 53 1.846 -12.279 -2.863 1.00 0.00 N ATOM 773 CZ ARG A 53 1.035 -13.264 -3.235 1.00 0.00 C ATOM 774 NH1 ARG A 53 -0.254 -13.217 -2.928 1.00 0.00 N ATOM 775 NH2 ARG A 53 1.514 -14.297 -3.915 1.00 0.00 N ATOM 0 H ARG A 53 5.555 -9.141 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 53 3.622 -10.887 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.381 -8.362 -2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.051 -8.975 -3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.423 -10.822 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.295 -9.627 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.873 -11.429 -1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.692 -10.539 -2.714 1.00 0.00 H new ATOM 0 HE ARG A 53 2.832 -12.345 -3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.625 -12.424 -2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.874 -13.974 -3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.505 -14.336 -4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.891 -15.053 -4.200 1.00 0.00 H new ATOM 789 N GLN A 54 4.458 -7.803 -4.987 1.00 0.00 N ATOM 790 CA GLN A 54 4.550 -6.901 -6.129 1.00 0.00 C ATOM 791 C GLN A 54 3.179 -6.675 -6.757 1.00 0.00 C ATOM 792 O GLN A 54 2.997 -6.859 -7.959 1.00 0.00 O ATOM 793 CB GLN A 54 5.515 -7.464 -7.174 1.00 0.00 C ATOM 794 CG GLN A 54 6.956 -7.023 -6.971 1.00 0.00 C ATOM 795 CD GLN A 54 7.791 -7.160 -8.229 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.498 -7.984 -9.096 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.839 -6.351 -8.335 1.00 0.00 N ATOM 0 H GLN A 54 4.778 -7.402 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 54 4.929 -5.943 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.470 -8.553 -7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.185 -7.154 -8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.971 -5.984 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.405 -7.617 -6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.045 -5.683 -7.592 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.438 -6.398 -9.159 1.00 0.00 H new ATOM 806 N GLY A 55 2.215 -6.274 -5.933 1.00 0.00 N ATOM 807 CA GLY A 55 0.872 -6.030 -6.425 1.00 0.00 C ATOM 808 C GLY A 55 0.388 -4.627 -6.117 1.00 0.00 C ATOM 809 O GLY A 55 1.081 -3.854 -5.453 1.00 0.00 O ATOM 0 H GLY A 55 2.341 -6.114 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.848 -6.191 -7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.188 -6.753 -5.980 1.00 0.00 H new ATOM 813 N LEU A 56 -0.804 -4.295 -6.600 1.00 0.00 N ATOM 814 CA LEU A 56 -1.381 -2.974 -6.373 1.00 0.00 C ATOM 815 C LEU A 56 -2.053 -2.900 -5.006 1.00 0.00 C ATOM 816 O LEU A 56 -2.289 -3.923 -4.364 1.00 0.00 O ATOM 817 CB LEU A 56 -2.393 -2.642 -7.471 1.00 0.00 C ATOM 818 CG LEU A 56 -1.866 -2.688 -8.906 1.00 0.00 C ATOM 819 CD1 LEU A 56 -3.018 -2.660 -9.899 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.912 -1.529 -9.161 1.00 0.00 C ATOM 0 H LEU A 56 -1.390 -4.922 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.573 -2.243 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.228 -3.337 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.789 -1.644 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.318 -3.621 -9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.624 -2.693 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.664 -3.522 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.593 -1.744 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.547 -1.577 -10.187 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.436 -0.586 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.069 -1.593 -8.472 1.00 0.00 H new ATOM 832 N ALA A 57 -2.362 -1.684 -4.569 1.00 0.00 N ATOM 833 CA ALA A 57 -3.012 -1.477 -3.281 1.00 0.00 C ATOM 834 C ALA A 57 -3.855 -0.207 -3.289 1.00 0.00 C ATOM 835 O ALA A 57 -3.493 0.804 -3.892 1.00 0.00 O ATOM 836 CB ALA A 57 -1.974 -1.416 -2.170 1.00 0.00 C ATOM 0 H ALA A 57 -2.173 -0.827 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.676 -2.322 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.473 -1.261 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.417 -2.352 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.287 -0.591 -2.359 1.00 0.00 H new ATOM 842 N PRO A 58 -5.008 -0.257 -2.606 1.00 0.00 N ATOM 843 CA PRO A 58 -5.928 0.882 -2.520 1.00 0.00 C ATOM 844 C PRO A 58 -5.363 2.020 -1.676 1.00 0.00 C ATOM 845 O PRO A 58 -5.331 1.938 -0.448 1.00 0.00 O ATOM 846 CB PRO A 58 -7.169 0.286 -1.852 1.00 0.00 C ATOM 847 CG PRO A 58 -6.659 -0.879 -1.075 1.00 0.00 C ATOM 848 CD PRO A 58 -5.503 -1.429 -1.864 1.00 0.00 C ATOM 0 HA PRO A 58 -6.124 1.323 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.656 1.013 -1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.907 -0.024 -2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.341 -0.574 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.436 -1.632 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.735 -1.846 -1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.819 -2.226 -2.537 1.00 0.00 H new ATOM 856 N ALA A 59 -4.920 3.081 -2.342 1.00 0.00 N ATOM 857 CA ALA A 59 -4.359 4.236 -1.652 1.00 0.00 C ATOM 858 C ALA A 59 -5.338 4.788 -0.622 1.00 0.00 C ATOM 859 O ALA A 59 -4.967 5.593 0.231 1.00 0.00 O ATOM 860 CB ALA A 59 -3.980 5.316 -2.655 1.00 0.00 C ATOM 0 H ALA A 59 -4.939 3.165 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.461 3.914 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.562 6.173 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.239 4.922 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.867 5.627 -3.207 1.00 0.00 H new ATOM 866 N ASN A 60 -6.590 4.351 -0.707 1.00 0.00 N ATOM 867 CA ASN A 60 -7.623 4.803 0.218 1.00 0.00 C ATOM 868 C ASN A 60 -7.503 4.086 1.560 1.00 0.00 C ATOM 869 O ASN A 60 -7.928 4.605 2.592 1.00 0.00 O ATOM 870 CB ASN A 60 -9.011 4.564 -0.378 1.00 0.00 C ATOM 871 CG ASN A 60 -9.204 5.281 -1.700 1.00 0.00 C ATOM 872 OD1 ASN A 60 -8.786 6.427 -1.864 1.00 0.00 O ATOM 873 ND2 ASN A 60 -9.841 4.607 -2.651 1.00 0.00 N ATOM 0 H ASN A 60 -6.914 3.684 -1.407 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.485 5.872 0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.162 3.494 -0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.770 4.900 0.329 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.001 5.038 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.170 3.659 -2.471 1.00 0.00 H new ATOM 880 N ARG A 61 -6.919 2.892 1.536 1.00 0.00 N ATOM 881 CA ARG A 61 -6.744 2.104 2.750 1.00 0.00 C ATOM 882 C ARG A 61 -5.292 2.145 3.219 1.00 0.00 C ATOM 883 O ARG A 61 -4.908 1.430 4.146 1.00 0.00 O ATOM 884 CB ARG A 61 -7.173 0.656 2.510 1.00 0.00 C ATOM 885 CG ARG A 61 -8.597 0.520 1.996 1.00 0.00 C ATOM 886 CD ARG A 61 -9.151 -0.873 2.253 1.00 0.00 C ATOM 887 NE ARG A 61 -10.603 -0.863 2.410 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.451 -0.744 1.394 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.995 -0.626 0.155 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.759 -0.744 1.617 1.00 0.00 N ATOM 0 H ARG A 61 -6.560 2.450 0.690 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.372 2.537 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.492 0.198 1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.077 0.098 3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.233 1.261 2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.621 0.731 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.880 -1.529 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.692 -1.286 3.151 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.987 -0.952 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.990 -0.626 -0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.649 -0.535 -0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.114 -0.835 2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.409 -0.653 0.837 1.00 0.00 H new ATOM 904 N LEU A 62 -4.490 2.984 2.574 1.00 0.00 N ATOM 905 CA LEU A 62 -3.081 3.118 2.924 1.00 0.00 C ATOM 906 C LEU A 62 -2.833 4.406 3.702 1.00 0.00 C ATOM 907 O LEU A 62 -3.641 5.333 3.660 1.00 0.00 O ATOM 908 CB LEU A 62 -2.217 3.097 1.662 1.00 0.00 C ATOM 909 CG LEU A 62 -1.847 1.715 1.124 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.161 0.889 2.202 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.084 0.995 0.605 1.00 0.00 C ATOM 0 H LEU A 62 -4.792 3.582 1.805 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.808 2.274 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.742 3.641 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.296 3.643 1.867 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.151 1.844 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.905 -0.092 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.253 1.397 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.833 0.769 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.801 0.013 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.804 0.878 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.534 1.578 -0.198 1.00 0.00 H new ATOM 923 N GLN A 63 -1.709 4.457 4.411 1.00 0.00 N ATOM 924 CA GLN A 63 -1.355 5.632 5.197 1.00 0.00 C ATOM 925 C GLN A 63 0.083 6.060 4.919 1.00 0.00 C ATOM 926 O GLN A 63 1.030 5.437 5.398 1.00 0.00 O ATOM 927 CB GLN A 63 -1.534 5.347 6.689 1.00 0.00 C ATOM 928 CG GLN A 63 -1.051 6.475 7.587 1.00 0.00 C ATOM 929 CD GLN A 63 -1.357 6.227 9.051 1.00 0.00 C ATOM 930 OE1 GLN A 63 -0.608 5.541 9.746 1.00 0.00 O ATOM 931 NE2 GLN A 63 -2.463 6.787 9.527 1.00 0.00 N ATOM 0 H GLN A 63 -1.029 3.698 4.457 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.020 6.445 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.589 5.160 6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.994 4.435 6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.024 6.600 7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.519 7.409 7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.055 7.348 8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.721 6.656 10.505 1.00 0.00 H new ATOM 940 N ILE A 64 0.237 7.127 4.141 1.00 0.00 N ATOM 941 CA ILE A 64 1.559 7.638 3.800 1.00 0.00 C ATOM 942 C ILE A 64 2.215 8.311 5.001 1.00 0.00 C ATOM 943 O ILE A 64 1.707 9.304 5.524 1.00 0.00 O ATOM 944 CB ILE A 64 1.490 8.644 2.636 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.729 8.039 1.455 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.891 9.061 2.213 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.560 7.086 0.625 1.00 0.00 C ATOM 0 H ILE A 64 -0.537 7.654 3.736 1.00 0.00 H new ATOM 0 HA ILE A 64 2.160 6.781 3.494 1.00 0.00 H new ATOM 0 HB ILE A 64 0.954 9.531 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.148 7.511 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.367 8.844 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.826 9.772 1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.402 9.527 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.450 8.183 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.956 6.696 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.423 7.614 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.900 6.261 1.250 1.00 0.00 H new ATOM 959 N LEU A 65 3.346 7.765 5.433 1.00 0.00 N ATOM 960 CA LEU A 65 4.074 8.314 6.572 1.00 0.00 C ATOM 961 C LEU A 65 5.066 9.382 6.121 1.00 0.00 C ATOM 962 O LEU A 65 5.459 9.425 4.956 1.00 0.00 O ATOM 963 CB LEU A 65 4.811 7.199 7.316 1.00 0.00 C ATOM 964 CG LEU A 65 3.932 6.126 7.959 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.764 4.910 8.336 1.00 0.00 C ATOM 966 CD2 LEU A 65 3.216 6.684 9.181 1.00 0.00 C ATOM 0 H LEU A 65 3.779 6.943 5.012 1.00 0.00 H new ATOM 0 HA LEU A 65 3.352 8.776 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.492 6.712 6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.424 7.653 8.095 1.00 0.00 H new ATOM 0 HG LEU A 65 3.181 5.816 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.122 4.157 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.230 4.496 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.538 5.204 9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.595 5.906 9.626 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.952 7.022 9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.588 7.524 8.883 1.00 0.00 H new