USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 438 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.07! C(o=-4.1!,f=-9.3!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.985 F(o=-2.3!,f=-0.98) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 26 THR OG1 : rot -34:sc= 1.19 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.02) USER MOD Single : A 72 SER OG : rot 180:sc= -2.23! USER MOD ----------------------------------------------------------------- ATOM 111 N SER A 10 -6.631 7.122 -2.163 1.00 0.38 N ATOM 112 CA SER A 10 -7.438 5.986 -2.569 1.00 0.39 C ATOM 113 C SER A 10 -7.244 4.856 -1.573 1.00 0.28 C ATOM 114 O SER A 10 -6.217 4.796 -0.905 1.00 0.29 O ATOM 115 CB SER A 10 -7.026 5.535 -3.976 1.00 0.52 C ATOM 116 OG SER A 10 -7.929 4.576 -4.514 1.00 0.96 O ATOM 0 HA SER A 10 -8.491 6.268 -2.589 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.982 6.401 -4.636 1.00 0.52 H new ATOM 0 HB3 SER A 10 -6.023 5.109 -3.941 1.00 0.52 H new ATOM 0 HG SER A 10 -7.633 4.315 -5.411 1.00 0.96 H new ATOM 122 N ILE A 11 -8.240 3.996 -1.427 1.00 0.32 N ATOM 123 CA ILE A 11 -8.098 2.848 -0.552 1.00 0.27 C ATOM 124 C ILE A 11 -7.798 1.590 -1.345 1.00 0.20 C ATOM 125 O ILE A 11 -8.416 1.310 -2.374 1.00 0.26 O ATOM 126 CB ILE A 11 -9.342 2.619 0.327 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.576 3.835 1.208 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.184 1.373 1.186 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.711 3.656 2.185 1.00 0.96 C ATOM 0 H ILE A 11 -9.142 4.071 -1.897 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.258 3.069 0.107 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.203 2.471 -0.325 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.662 4.056 1.760 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.783 4.698 0.576 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.077 1.236 1.796 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.047 0.503 0.544 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.315 1.486 1.835 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.823 4.561 2.782 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.635 3.465 1.639 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.497 2.813 2.841 1.00 0.96 H new ATOM 141 N GLN A 12 -6.840 0.844 -0.848 1.00 0.13 N ATOM 142 CA GLN A 12 -6.461 -0.427 -1.439 1.00 0.10 C ATOM 143 C GLN A 12 -6.359 -1.486 -0.359 1.00 0.11 C ATOM 144 O GLN A 12 -6.347 -1.175 0.833 1.00 0.17 O ATOM 145 CB GLN A 12 -5.142 -0.354 -2.228 1.00 0.12 C ATOM 146 CG GLN A 12 -4.166 0.720 -1.773 1.00 0.22 C ATOM 147 CD GLN A 12 -4.490 2.097 -2.323 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.271 3.100 -1.660 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.978 2.160 -3.555 1.00 0.35 N ATOM 0 H GLN A 12 -6.298 1.097 -0.022 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.242 -0.691 -2.153 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.646 -1.322 -2.163 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.376 -0.186 -3.279 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.165 0.762 -0.684 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.159 0.441 -2.082 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.149 1.303 -4.080 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.182 3.066 -3.977 1.00 0.35 H new ATOM 158 N CYS A 13 -6.314 -2.730 -0.778 1.00 0.12 N ATOM 159 CA CYS A 13 -6.201 -3.836 0.143 1.00 0.16 C ATOM 160 C CYS A 13 -4.844 -4.498 -0.027 1.00 0.13 C ATOM 161 O CYS A 13 -4.612 -5.245 -0.978 1.00 0.15 O ATOM 162 CB CYS A 13 -7.346 -4.833 -0.069 1.00 0.25 C ATOM 163 SG CYS A 13 -7.170 -6.382 0.877 1.00 0.34 S ATOM 0 H CYS A 13 -6.354 -3.002 -1.760 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.279 -3.467 1.166 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.285 -4.355 0.209 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.412 -5.073 -1.130 1.00 0.25 H new ATOM 168 N CYS A 14 -3.941 -4.181 0.887 1.00 0.12 N ATOM 169 CA CYS A 14 -2.575 -4.665 0.826 1.00 0.12 C ATOM 170 C CYS A 14 -2.461 -6.040 1.437 1.00 0.15 C ATOM 171 O CYS A 14 -2.936 -6.283 2.545 1.00 0.19 O ATOM 172 CB CYS A 14 -1.627 -3.723 1.562 1.00 0.14 C ATOM 173 SG CYS A 14 -1.314 -2.134 0.727 1.00 0.13 S ATOM 0 H CYS A 14 -4.136 -3.582 1.690 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.298 -4.710 -0.227 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -2.036 -3.521 2.552 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.675 -4.233 1.709 1.00 0.14 H new ATOM 178 N GLN A 15 -1.833 -6.934 0.698 1.00 0.15 N ATOM 179 CA GLN A 15 -1.510 -8.246 1.202 1.00 0.16 C ATOM 180 C GLN A 15 -0.422 -8.117 2.269 1.00 0.18 C ATOM 181 O GLN A 15 -0.371 -8.892 3.221 1.00 0.23 O ATOM 182 CB GLN A 15 -1.103 -9.159 0.026 1.00 0.17 C ATOM 183 CG GLN A 15 0.322 -9.704 0.057 1.00 0.23 C ATOM 184 CD GLN A 15 0.539 -10.776 1.114 1.00 0.31 C ATOM 185 OE1 GLN A 15 -0.502 -11.538 1.419 1.00 0.38 O flip ATOM 186 NE2 GLN A 15 1.635 -10.920 1.650 1.00 0.33 N flip ATOM 0 H GLN A 15 -1.535 -6.768 -0.263 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.374 -8.709 1.678 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.792 -10.003 -0.006 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.237 -8.603 -0.902 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.566 -10.116 -0.922 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.013 -8.881 0.238 1.00 0.23 H new ATOM 0 HE21 GLN A 15 2.414 -10.315 1.390 1.00 0.33 H new ATOM 0 HE22 GLN A 15 1.766 -11.645 2.355 1.00 0.33 H new ATOM 195 N ASN A 16 0.427 -7.110 2.114 1.00 0.17 N ATOM 196 CA ASN A 16 1.496 -6.857 3.065 1.00 0.21 C ATOM 197 C ASN A 16 1.675 -5.360 3.282 1.00 0.21 C ATOM 198 O ASN A 16 1.934 -4.620 2.338 1.00 0.40 O ATOM 199 CB ASN A 16 2.800 -7.440 2.547 1.00 0.29 C ATOM 200 CG ASN A 16 3.642 -8.053 3.642 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.634 -7.599 4.785 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.365 -9.101 3.295 1.00 0.75 N ATOM 0 H ASN A 16 0.394 -6.453 1.334 1.00 0.17 H new ATOM 0 HA ASN A 16 1.230 -7.328 4.011 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.581 -8.199 1.796 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.372 -6.656 2.051 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.949 -9.570 3.988 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.340 -9.442 2.334 1.00 0.75 H new ATOM 209 N VAL A 17 1.528 -4.918 4.517 1.00 0.16 N ATOM 210 CA VAL A 17 1.743 -3.514 4.851 1.00 0.13 C ATOM 211 C VAL A 17 3.020 -3.363 5.664 1.00 0.14 C ATOM 212 O VAL A 17 3.074 -3.749 6.834 1.00 0.18 O ATOM 213 CB VAL A 17 0.560 -2.916 5.640 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.805 -1.447 5.957 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.734 -3.084 4.865 1.00 0.14 C ATOM 0 H VAL A 17 1.261 -5.506 5.307 1.00 0.16 H new ATOM 0 HA VAL A 17 1.829 -2.968 3.912 1.00 0.13 H new ATOM 0 HB VAL A 17 0.473 -3.456 6.583 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.043 -1.049 6.514 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.710 -1.350 6.557 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.924 -0.889 5.028 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.558 -2.657 5.436 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.653 -2.572 3.906 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.921 -4.144 4.695 1.00 0.14 H new ATOM 225 N VAL A 18 4.046 -2.811 5.040 1.00 0.12 N ATOM 226 CA VAL A 18 5.348 -2.677 5.673 1.00 0.13 C ATOM 227 C VAL A 18 5.907 -1.274 5.468 1.00 0.12 C ATOM 228 O VAL A 18 5.652 -0.644 4.446 1.00 0.12 O ATOM 229 CB VAL A 18 6.352 -3.704 5.103 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.957 -5.122 5.489 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.450 -3.570 3.589 1.00 0.13 C ATOM 0 H VAL A 18 4.002 -2.446 4.089 1.00 0.12 H new ATOM 0 HA VAL A 18 5.211 -2.863 6.738 1.00 0.13 H new ATOM 0 HB VAL A 18 7.332 -3.496 5.534 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.679 -5.826 5.076 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.942 -5.213 6.575 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.966 -5.344 5.093 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.161 -4.301 3.204 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.471 -3.748 3.144 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.788 -2.566 3.334 1.00 0.13 H new ATOM 241 N PRO A 19 6.647 -0.744 6.450 1.00 0.14 N ATOM 242 CA PRO A 19 7.375 0.513 6.278 1.00 0.15 C ATOM 243 C PRO A 19 8.444 0.380 5.200 1.00 0.12 C ATOM 244 O PRO A 19 9.143 -0.630 5.127 1.00 0.10 O ATOM 245 CB PRO A 19 8.008 0.774 7.649 1.00 0.17 C ATOM 246 CG PRO A 19 7.283 -0.119 8.600 1.00 0.19 C ATOM 247 CD PRO A 19 6.814 -1.302 7.799 1.00 0.17 C ATOM 0 HA PRO A 19 6.727 1.329 5.958 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.075 0.551 7.637 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.904 1.820 7.936 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.938 -0.435 9.412 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.440 0.401 9.055 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.542 -2.113 7.813 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.879 -1.707 8.187 1.00 0.17 H new ATOM 255 N GLY A 20 8.554 1.396 4.354 1.00 0.14 N ATOM 256 CA GLY A 20 9.499 1.353 3.251 1.00 0.13 C ATOM 257 C GLY A 20 10.938 1.304 3.722 1.00 0.14 C ATOM 258 O GLY A 20 11.810 0.793 3.024 1.00 0.18 O ATOM 0 H GLY A 20 8.004 2.253 4.411 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.292 0.479 2.633 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.356 2.230 2.620 1.00 0.13 H new ATOM 262 N ASP A 21 11.180 1.844 4.907 1.00 0.17 N ATOM 263 CA ASP A 21 12.504 1.832 5.510 1.00 0.21 C ATOM 264 C ASP A 21 12.616 0.691 6.514 1.00 0.19 C ATOM 265 O ASP A 21 13.590 0.594 7.260 1.00 0.23 O ATOM 266 CB ASP A 21 12.787 3.172 6.200 1.00 0.31 C ATOM 267 CG ASP A 21 11.917 3.407 7.423 1.00 1.23 C ATOM 268 OD1 ASP A 21 12.475 3.614 8.524 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.675 3.389 7.297 1.00 2.27 O ATOM 0 H ASP A 21 10.467 2.301 5.476 1.00 0.17 H new ATOM 0 HA ASP A 21 13.243 1.681 4.723 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.836 3.208 6.495 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.628 3.982 5.488 1.00 0.31 H new ATOM 274 N SER A 22 11.609 -0.171 6.522 1.00 0.16 N ATOM 275 CA SER A 22 11.621 -1.351 7.366 1.00 0.17 C ATOM 276 C SER A 22 12.492 -2.419 6.742 1.00 0.16 C ATOM 277 O SER A 22 12.683 -2.422 5.530 1.00 0.14 O ATOM 278 CB SER A 22 10.201 -1.897 7.554 1.00 0.18 C ATOM 279 OG SER A 22 10.197 -3.126 8.255 1.00 0.24 O ATOM 0 H SER A 22 10.771 -0.072 5.949 1.00 0.16 H new ATOM 0 HA SER A 22 12.022 -1.073 8.341 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.600 -1.167 8.097 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.732 -2.033 6.579 1.00 0.18 H new ATOM 0 HG SER A 22 9.275 -3.442 8.357 1.00 0.24 H new ATOM 285 N ASP A 23 13.008 -3.325 7.549 1.00 0.20 N ATOM 286 CA ASP A 23 13.827 -4.415 7.032 1.00 0.22 C ATOM 287 C ASP A 23 13.070 -5.162 5.949 1.00 0.20 C ATOM 288 O ASP A 23 13.624 -5.491 4.900 1.00 0.22 O ATOM 289 CB ASP A 23 14.222 -5.381 8.150 1.00 0.29 C ATOM 290 CG ASP A 23 15.362 -4.862 9.001 1.00 0.59 C ATOM 291 OD1 ASP A 23 15.109 -4.026 9.893 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.520 -5.285 8.785 1.00 0.61 O ATOM 0 H ASP A 23 12.878 -3.333 8.561 1.00 0.20 H new ATOM 0 HA ASP A 23 14.737 -3.988 6.610 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.356 -5.567 8.786 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.508 -6.338 7.713 1.00 0.29 H new ATOM 297 N LEU A 24 11.787 -5.382 6.194 1.00 0.20 N ATOM 298 CA LEU A 24 10.936 -6.044 5.223 1.00 0.21 C ATOM 299 C LEU A 24 10.702 -5.157 4.012 1.00 0.17 C ATOM 300 O LEU A 24 11.076 -5.512 2.898 1.00 0.18 O ATOM 301 CB LEU A 24 9.600 -6.429 5.857 1.00 0.26 C ATOM 302 CG LEU A 24 9.456 -7.905 6.220 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.477 -8.760 4.962 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.557 -8.335 7.177 1.00 1.11 C ATOM 0 H LEU A 24 11.315 -5.111 7.057 1.00 0.20 H new ATOM 0 HA LEU A 24 11.444 -6.950 4.893 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.459 -5.834 6.759 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.798 -6.160 5.169 1.00 0.26 H new ATOM 0 HG LEU A 24 8.498 -8.045 6.721 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.374 -9.810 5.234 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.652 -8.471 4.312 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.421 -8.612 4.437 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.435 -9.390 7.422 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.528 -8.182 6.707 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.498 -7.742 8.089 1.00 1.11 H new ATOM 316 N GLY A 25 10.112 -3.990 4.245 1.00 0.14 N ATOM 317 CA GLY A 25 9.761 -3.088 3.158 1.00 0.12 C ATOM 318 C GLY A 25 10.935 -2.740 2.269 1.00 0.12 C ATOM 319 O GLY A 25 10.802 -2.688 1.047 1.00 0.16 O ATOM 0 H GLY A 25 9.868 -3.648 5.175 1.00 0.14 H new ATOM 0 HA2 GLY A 25 8.979 -3.546 2.553 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.345 -2.171 3.575 1.00 0.12 H new ATOM 323 N THR A 26 12.090 -2.539 2.879 1.00 0.13 N ATOM 324 CA THR A 26 13.281 -2.145 2.149 1.00 0.16 C ATOM 325 C THR A 26 13.785 -3.298 1.296 1.00 0.20 C ATOM 326 O THR A 26 14.160 -3.113 0.140 1.00 0.24 O ATOM 327 CB THR A 26 14.387 -1.674 3.112 1.00 0.18 C ATOM 328 OG1 THR A 26 13.895 -0.614 3.941 1.00 0.20 O ATOM 329 CG2 THR A 26 15.609 -1.183 2.363 1.00 0.23 C ATOM 0 H THR A 26 12.228 -2.643 3.884 1.00 0.13 H new ATOM 0 HA THR A 26 13.018 -1.312 1.497 1.00 0.16 H new ATOM 0 HB THR A 26 14.675 -2.530 3.723 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.260 -0.068 3.432 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.367 -0.859 3.076 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.009 -1.991 1.750 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.331 -0.345 1.723 1.00 0.23 H new ATOM 337 N LEU A 27 13.755 -4.496 1.864 1.00 0.21 N ATOM 338 CA LEU A 27 14.163 -5.693 1.149 1.00 0.28 C ATOM 339 C LEU A 27 13.221 -5.923 -0.028 1.00 0.29 C ATOM 340 O LEU A 27 13.647 -6.262 -1.133 1.00 0.34 O ATOM 341 CB LEU A 27 14.141 -6.896 2.108 1.00 0.33 C ATOM 342 CG LEU A 27 15.046 -8.082 1.744 1.00 0.57 C ATOM 343 CD1 LEU A 27 14.548 -8.810 0.508 1.00 1.01 C ATOM 344 CD2 LEU A 27 16.475 -7.609 1.544 1.00 1.00 C ATOM 0 H LEU A 27 13.450 -4.663 2.823 1.00 0.21 H new ATOM 0 HA LEU A 27 15.177 -5.572 0.767 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.422 -6.545 3.101 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.115 -7.259 2.176 1.00 0.33 H new ATOM 0 HG LEU A 27 15.018 -8.789 2.573 1.00 0.57 H new ATOM 0 HD11 LEU A 27 15.215 -9.642 0.283 1.00 1.01 H new ATOM 0 HD12 LEU A 27 13.542 -9.189 0.690 1.00 1.01 H new ATOM 0 HD13 LEU A 27 14.529 -8.122 -0.337 1.00 1.01 H new ATOM 0 HD21 LEU A 27 17.107 -8.459 1.286 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.506 -6.876 0.738 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.839 -7.152 2.464 1.00 1.00 H new ATOM 356 N LEU A 28 11.937 -5.690 0.213 1.00 0.27 N ATOM 357 CA LEU A 28 10.912 -5.949 -0.788 1.00 0.31 C ATOM 358 C LEU A 28 11.041 -4.984 -1.958 1.00 0.32 C ATOM 359 O LEU A 28 10.953 -5.386 -3.120 1.00 0.37 O ATOM 360 CB LEU A 28 9.506 -5.830 -0.183 1.00 0.31 C ATOM 361 CG LEU A 28 9.221 -6.713 1.040 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.725 -6.792 1.300 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.815 -8.099 0.863 1.00 0.37 C ATOM 0 H LEU A 28 11.581 -5.321 1.095 1.00 0.27 H new ATOM 0 HA LEU A 28 11.058 -6.968 -1.147 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.340 -4.790 0.098 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.778 -6.071 -0.957 1.00 0.31 H new ATOM 0 HG LEU A 28 9.697 -6.257 1.908 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.540 -7.422 2.170 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.335 -5.791 1.486 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.227 -7.220 0.430 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.598 -8.703 1.744 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.380 -8.572 -0.017 1.00 0.37 H new ATOM 0 HD23 LEU A 28 10.894 -8.019 0.735 1.00 0.37 H new ATOM 375 N LEU A 29 11.262 -3.711 -1.656 1.00 0.30 N ATOM 376 CA LEU A 29 11.358 -2.701 -2.698 1.00 0.32 C ATOM 377 C LEU A 29 12.705 -2.770 -3.404 1.00 0.36 C ATOM 378 O LEU A 29 12.833 -2.349 -4.550 1.00 0.41 O ATOM 379 CB LEU A 29 11.087 -1.297 -2.128 1.00 0.30 C ATOM 380 CG LEU A 29 12.056 -0.763 -1.059 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.381 -0.312 -1.662 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.412 0.392 -0.323 1.00 0.31 C ATOM 0 H LEU A 29 11.377 -3.357 -0.706 1.00 0.30 H new ATOM 0 HA LEU A 29 10.589 -2.907 -3.443 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.082 -0.592 -2.959 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.083 -1.295 -1.703 1.00 0.30 H new ATOM 0 HG LEU A 29 12.269 -1.578 -0.367 1.00 0.29 H new ATOM 0 HD11 LEU A 29 14.034 0.057 -0.871 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.858 -1.154 -2.163 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.200 0.484 -2.384 1.00 0.31 H new ATOM 0 HD21 LEU A 29 12.099 0.770 0.434 1.00 0.31 H new ATOM 0 HD22 LEU A 29 11.177 1.188 -1.030 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.495 0.051 0.157 1.00 0.31 H new ATOM 394 N ASP A 30 13.705 -3.304 -2.717 1.00 0.34 N ATOM 395 CA ASP A 30 15.018 -3.513 -3.317 1.00 0.39 C ATOM 396 C ASP A 30 14.923 -4.578 -4.395 1.00 0.43 C ATOM 397 O ASP A 30 15.636 -4.541 -5.398 1.00 0.49 O ATOM 398 CB ASP A 30 16.029 -3.944 -2.259 1.00 0.41 C ATOM 399 CG ASP A 30 17.447 -3.980 -2.794 1.00 0.54 C ATOM 400 OD1 ASP A 30 17.953 -5.087 -3.076 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.060 -2.904 -2.942 1.00 0.63 O ATOM 0 H ASP A 30 13.634 -3.601 -1.744 1.00 0.34 H new ATOM 0 HA ASP A 30 15.353 -2.574 -3.758 1.00 0.39 H new ATOM 0 HB2 ASP A 30 15.980 -3.258 -1.413 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.760 -4.932 -1.884 1.00 0.41 H new ATOM 406 N GLU A 31 14.011 -5.509 -4.182 1.00 0.43 N ATOM 407 CA GLU A 31 13.748 -6.571 -5.123 1.00 0.49 C ATOM 408 C GLU A 31 12.976 -6.018 -6.310 1.00 0.51 C ATOM 409 O GLU A 31 13.210 -6.381 -7.462 1.00 0.62 O ATOM 410 CB GLU A 31 12.941 -7.657 -4.426 1.00 0.52 C ATOM 411 CG GLU A 31 12.286 -8.631 -5.376 1.00 0.97 C ATOM 412 CD GLU A 31 11.497 -9.706 -4.661 1.00 1.46 C ATOM 413 OE1 GLU A 31 10.311 -9.475 -4.358 1.00 1.76 O ATOM 414 OE2 GLU A 31 12.054 -10.797 -4.409 1.00 2.07 O ATOM 0 H GLU A 31 13.431 -5.546 -3.344 1.00 0.43 H new ATOM 0 HA GLU A 31 14.686 -6.994 -5.484 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.596 -8.207 -3.750 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.172 -7.188 -3.813 1.00 0.52 H new ATOM 0 HG2 GLU A 31 11.623 -8.086 -6.048 1.00 0.97 H new ATOM 0 HG3 GLU A 31 13.052 -9.099 -5.994 1.00 0.97 H new ATOM 421 N LEU A 32 12.063 -5.116 -5.998 1.00 0.52 N ATOM 422 CA LEU A 32 11.188 -4.513 -6.989 1.00 0.58 C ATOM 423 C LEU A 32 11.892 -3.410 -7.775 1.00 0.61 C ATOM 424 O LEU A 32 11.476 -3.052 -8.875 1.00 0.71 O ATOM 425 CB LEU A 32 9.952 -3.964 -6.285 1.00 0.56 C ATOM 426 CG LEU A 32 8.966 -5.024 -5.793 1.00 0.57 C ATOM 427 CD1 LEU A 32 7.870 -4.386 -4.959 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.365 -5.783 -6.967 1.00 0.64 C ATOM 0 H LEU A 32 11.906 -4.780 -5.048 1.00 0.52 H new ATOM 0 HA LEU A 32 10.898 -5.278 -7.709 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.273 -3.365 -5.433 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.431 -3.293 -6.968 1.00 0.56 H new ATOM 0 HG LEU A 32 9.510 -5.732 -5.167 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.178 -5.156 -4.618 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.313 -3.888 -4.097 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.331 -3.656 -5.563 1.00 0.57 H new ATOM 0 HD21 LEU A 32 7.666 -6.533 -6.596 1.00 0.64 H new ATOM 0 HD22 LEU A 32 7.838 -5.087 -7.619 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.160 -6.274 -7.528 1.00 0.64 H new ATOM 440 N GLY A 33 12.971 -2.886 -7.209 1.00 0.57 N ATOM 441 CA GLY A 33 13.724 -1.833 -7.861 1.00 0.62 C ATOM 442 C GLY A 33 13.093 -0.472 -7.661 1.00 0.63 C ATOM 443 O GLY A 33 12.912 0.283 -8.616 1.00 0.75 O ATOM 0 H GLY A 33 13.340 -3.174 -6.303 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.742 -1.821 -7.470 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.794 -2.046 -8.928 1.00 0.62 H new ATOM 447 N ILE A 34 12.747 -0.160 -6.419 1.00 0.54 N ATOM 448 CA ILE A 34 12.101 1.106 -6.099 1.00 0.58 C ATOM 449 C ILE A 34 13.042 1.996 -5.299 1.00 0.65 C ATOM 450 O ILE A 34 13.802 1.509 -4.462 1.00 0.68 O ATOM 451 CB ILE A 34 10.819 0.890 -5.267 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.993 -0.259 -5.848 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.994 2.169 -5.229 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.807 -0.642 -4.993 1.00 0.56 C ATOM 0 H ILE A 34 12.903 -0.768 -5.615 1.00 0.54 H new ATOM 0 HA ILE A 34 11.842 1.581 -7.045 1.00 0.58 H new ATOM 0 HB ILE A 34 11.105 0.629 -4.248 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.640 0.023 -6.840 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.636 -1.130 -5.975 1.00 0.55 H new ATOM 0 HG21 ILE A 34 9.093 2.003 -4.639 1.00 0.58 H new ATOM 0 HG22 ILE A 34 10.582 2.968 -4.777 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.716 2.453 -6.244 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.267 -1.463 -5.466 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.154 -0.956 -4.009 1.00 0.56 H new ATOM 0 HD13 ILE A 34 8.143 0.216 -4.887 1.00 0.56 H new ATOM 466 N VAL A 35 12.993 3.291 -5.561 1.00 0.77 N ATOM 467 CA VAL A 35 13.748 4.251 -4.780 1.00 0.89 C ATOM 468 C VAL A 35 12.820 5.349 -4.253 1.00 0.74 C ATOM 469 O VAL A 35 12.380 6.229 -4.990 1.00 0.90 O ATOM 470 CB VAL A 35 14.923 4.853 -5.592 1.00 1.24 C ATOM 471 CG1 VAL A 35 14.447 5.481 -6.896 1.00 1.84 C ATOM 472 CG2 VAL A 35 15.692 5.863 -4.753 1.00 1.87 C ATOM 0 H VAL A 35 12.436 3.701 -6.311 1.00 0.77 H new ATOM 0 HA VAL A 35 14.184 3.727 -3.930 1.00 0.89 H new ATOM 0 HB VAL A 35 15.595 4.035 -5.853 1.00 1.24 H new ATOM 0 HG11 VAL A 35 15.301 5.891 -7.435 1.00 1.84 H new ATOM 0 HG12 VAL A 35 13.961 4.722 -7.509 1.00 1.84 H new ATOM 0 HG13 VAL A 35 13.738 6.280 -6.678 1.00 1.84 H new ATOM 0 HG21 VAL A 35 16.513 6.274 -5.341 1.00 1.87 H new ATOM 0 HG22 VAL A 35 15.023 6.669 -4.450 1.00 1.87 H new ATOM 0 HG23 VAL A 35 16.092 5.370 -3.867 1.00 1.87 H new ATOM 482 N LEU A 36 12.491 5.261 -2.975 1.00 0.70 N ATOM 483 CA LEU A 36 11.596 6.217 -2.351 1.00 0.66 C ATOM 484 C LEU A 36 12.368 7.419 -1.828 1.00 0.68 C ATOM 485 O LEU A 36 13.442 7.278 -1.240 1.00 0.84 O ATOM 486 CB LEU A 36 10.861 5.541 -1.201 1.00 0.86 C ATOM 487 CG LEU A 36 10.096 4.280 -1.582 1.00 1.90 C ATOM 488 CD1 LEU A 36 9.796 3.462 -0.344 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.815 4.639 -2.306 1.00 2.76 C ATOM 0 H LEU A 36 12.833 4.533 -2.348 1.00 0.70 H new ATOM 0 HA LEU A 36 10.881 6.565 -3.096 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.584 5.289 -0.425 1.00 0.86 H new ATOM 0 HB3 LEU A 36 10.162 6.255 -0.766 1.00 0.86 H new ATOM 0 HG LEU A 36 10.713 3.683 -2.254 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.249 2.562 -0.626 1.00 2.62 H new ATOM 0 HD12 LEU A 36 10.730 3.181 0.142 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.192 4.053 0.345 1.00 2.62 H new ATOM 0 HD21 LEU A 36 8.280 3.728 -2.572 1.00 2.76 H new ATOM 0 HD22 LEU A 36 8.189 5.251 -1.657 1.00 2.76 H new ATOM 0 HD23 LEU A 36 9.053 5.197 -3.212 1.00 2.76 H new ATOM 501 N GLU A 37 11.812 8.602 -2.055 1.00 0.72 N ATOM 502 CA GLU A 37 12.377 9.830 -1.525 1.00 0.84 C ATOM 503 C GLU A 37 12.218 9.849 -0.014 1.00 0.76 C ATOM 504 O GLU A 37 13.096 10.310 0.713 1.00 0.88 O ATOM 505 CB GLU A 37 11.692 11.047 -2.151 1.00 1.02 C ATOM 506 CG GLU A 37 12.103 12.369 -1.525 1.00 1.42 C ATOM 507 CD GLU A 37 11.445 13.557 -2.188 1.00 2.06 C ATOM 508 OE1 GLU A 37 10.201 13.643 -2.159 1.00 2.65 O ATOM 509 OE2 GLU A 37 12.167 14.418 -2.734 1.00 2.58 O ATOM 0 H GLU A 37 10.964 8.734 -2.607 1.00 0.72 H new ATOM 0 HA GLU A 37 13.437 9.873 -1.773 1.00 0.84 H new ATOM 0 HB2 GLU A 37 11.920 11.073 -3.216 1.00 1.02 H new ATOM 0 HB3 GLU A 37 10.612 10.932 -2.059 1.00 1.02 H new ATOM 0 HG2 GLU A 37 11.846 12.360 -0.466 1.00 1.42 H new ATOM 0 HG3 GLU A 37 13.186 12.476 -1.589 1.00 1.42 H new ATOM 516 N ASP A 38 11.096 9.326 0.450 1.00 0.61 N ATOM 517 CA ASP A 38 10.841 9.185 1.864 1.00 0.54 C ATOM 518 C ASP A 38 10.323 7.786 2.131 1.00 0.41 C ATOM 519 O ASP A 38 9.117 7.545 2.114 1.00 0.39 O ATOM 520 CB ASP A 38 9.821 10.221 2.348 1.00 0.60 C ATOM 521 CG ASP A 38 10.398 11.619 2.444 1.00 1.20 C ATOM 522 OD1 ASP A 38 10.929 11.969 3.518 1.00 1.20 O ATOM 523 OD2 ASP A 38 10.314 12.377 1.454 1.00 2.29 O ATOM 0 H ASP A 38 10.340 8.989 -0.146 1.00 0.61 H new ATOM 0 HA ASP A 38 11.770 9.352 2.409 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.970 10.231 1.667 1.00 0.60 H new ATOM 0 HB3 ASP A 38 9.443 9.922 3.326 1.00 0.60 H new ATOM 528 N PRO A 39 11.233 6.834 2.379 1.00 0.41 N ATOM 529 CA PRO A 39 10.861 5.445 2.638 1.00 0.40 C ATOM 530 C PRO A 39 10.223 5.284 4.007 1.00 0.32 C ATOM 531 O PRO A 39 9.868 4.185 4.420 1.00 0.35 O ATOM 532 CB PRO A 39 12.193 4.697 2.568 1.00 0.57 C ATOM 533 CG PRO A 39 13.217 5.716 2.930 1.00 0.64 C ATOM 534 CD PRO A 39 12.694 7.034 2.427 1.00 0.57 C ATOM 0 HA PRO A 39 10.122 5.073 1.928 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.211 3.854 3.259 1.00 0.57 H new ATOM 0 HB3 PRO A 39 12.370 4.295 1.570 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.373 5.745 4.008 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.179 5.480 2.475 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.965 7.853 3.093 1.00 0.57 H new ATOM 0 HD3 PRO A 39 13.098 7.276 1.444 1.00 0.57 H new ATOM 542 N THR A 40 10.048 6.400 4.690 1.00 0.30 N ATOM 543 CA THR A 40 9.482 6.398 6.024 1.00 0.31 C ATOM 544 C THR A 40 7.974 6.179 5.979 1.00 0.28 C ATOM 545 O THR A 40 7.332 5.985 7.011 1.00 0.48 O ATOM 546 CB THR A 40 9.808 7.710 6.755 1.00 0.42 C ATOM 547 OG1 THR A 40 9.801 8.801 5.821 1.00 0.51 O ATOM 548 CG2 THR A 40 11.164 7.621 7.436 1.00 0.49 C ATOM 0 H THR A 40 10.292 7.326 4.338 1.00 0.30 H new ATOM 0 HA THR A 40 9.931 5.572 6.575 1.00 0.31 H new ATOM 0 HB THR A 40 9.048 7.882 7.518 1.00 0.42 H new ATOM 0 HG1 THR A 40 10.008 9.636 6.291 1.00 0.51 H new ATOM 0 HG21 THR A 40 11.376 8.560 7.948 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.155 6.807 8.160 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.935 7.433 6.689 1.00 0.49 H new ATOM 556 N VAL A 41 7.418 6.202 4.776 1.00 0.20 N ATOM 557 CA VAL A 41 6.003 5.933 4.580 1.00 0.17 C ATOM 558 C VAL A 41 5.744 4.428 4.536 1.00 0.14 C ATOM 559 O VAL A 41 6.667 3.628 4.353 1.00 0.15 O ATOM 560 CB VAL A 41 5.480 6.576 3.277 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.689 8.081 3.299 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.149 5.960 2.056 1.00 0.23 C ATOM 0 H VAL A 41 7.930 6.406 3.917 1.00 0.20 H new ATOM 0 HA VAL A 41 5.471 6.372 5.424 1.00 0.17 H new ATOM 0 HB VAL A 41 4.410 6.378 3.211 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.314 8.514 2.372 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.151 8.511 4.144 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.752 8.299 3.397 1.00 0.24 H new ATOM 0 HG21 VAL A 41 5.762 6.431 1.153 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.226 6.116 2.114 1.00 0.23 H new ATOM 0 HG23 VAL A 41 5.938 4.891 2.026 1.00 0.23 H new ATOM 572 N LEU A 42 4.490 4.049 4.717 1.00 0.14 N ATOM 573 CA LEU A 42 4.097 2.652 4.644 1.00 0.14 C ATOM 574 C LEU A 42 3.860 2.246 3.202 1.00 0.12 C ATOM 575 O LEU A 42 3.090 2.895 2.485 1.00 0.15 O ATOM 576 CB LEU A 42 2.829 2.403 5.467 1.00 0.16 C ATOM 577 CG LEU A 42 2.974 2.596 6.978 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.634 2.408 7.671 1.00 0.20 C ATOM 579 CD2 LEU A 42 4.004 1.630 7.541 1.00 0.22 C ATOM 0 H LEU A 42 3.724 4.692 4.916 1.00 0.14 H new ATOM 0 HA LEU A 42 4.906 2.049 5.056 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.046 3.071 5.107 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.490 1.384 5.280 1.00 0.16 H new ATOM 0 HG LEU A 42 3.317 3.614 7.163 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.757 2.549 8.745 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.921 3.138 7.288 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.262 1.402 7.477 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.095 1.781 8.617 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.688 0.606 7.344 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.969 1.810 7.067 1.00 0.22 H new ATOM 591 N ILE A 43 4.528 1.186 2.777 1.00 0.11 N ATOM 592 CA ILE A 43 4.322 0.647 1.449 1.00 0.10 C ATOM 593 C ILE A 43 3.561 -0.664 1.527 1.00 0.11 C ATOM 594 O ILE A 43 3.775 -1.475 2.431 1.00 0.15 O ATOM 595 CB ILE A 43 5.636 0.439 0.660 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.661 -0.362 1.466 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.211 1.784 0.240 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.901 -0.722 0.671 1.00 0.14 C ATOM 0 H ILE A 43 5.218 0.683 3.336 1.00 0.11 H new ATOM 0 HA ILE A 43 3.740 1.390 0.905 1.00 0.10 H new ATOM 0 HB ILE A 43 5.404 -0.142 -0.233 1.00 0.11 H new ATOM 0 HG12 ILE A 43 6.955 0.215 2.343 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.193 -1.277 1.829 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.136 1.627 -0.315 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.492 2.305 -0.392 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.417 2.384 1.126 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.586 -1.289 1.302 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.618 -1.326 -0.191 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.392 0.189 0.330 1.00 0.14 H new ATOM 610 N GLY A 44 2.657 -0.855 0.590 1.00 0.13 N ATOM 611 CA GLY A 44 1.831 -2.034 0.599 1.00 0.16 C ATOM 612 C GLY A 44 2.130 -2.968 -0.547 1.00 0.17 C ATOM 613 O GLY A 44 1.755 -2.702 -1.684 1.00 0.31 O ATOM 0 H GLY A 44 2.479 -0.211 -0.181 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.974 -2.565 1.540 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.783 -1.738 0.556 1.00 0.16 H new ATOM 617 N ASP A 45 2.802 -4.063 -0.249 1.00 0.18 N ATOM 618 CA ASP A 45 3.075 -5.080 -1.252 1.00 0.20 C ATOM 619 C ASP A 45 1.867 -5.988 -1.378 1.00 0.20 C ATOM 620 O ASP A 45 1.306 -6.425 -0.375 1.00 0.29 O ATOM 621 CB ASP A 45 4.313 -5.903 -0.889 1.00 0.32 C ATOM 622 CG ASP A 45 4.592 -7.003 -1.899 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.584 -6.716 -3.113 1.00 0.42 O ATOM 624 OD2 ASP A 45 4.841 -8.155 -1.487 1.00 0.57 O ATOM 0 H ASP A 45 3.170 -4.273 0.679 1.00 0.18 H new ATOM 0 HA ASP A 45 3.273 -4.587 -2.204 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.179 -5.244 -0.825 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.176 -6.345 0.098 1.00 0.32 H new ATOM 629 N GLY A 46 1.446 -6.245 -2.598 1.00 0.18 N ATOM 630 CA GLY A 46 0.276 -7.066 -2.797 1.00 0.21 C ATOM 631 C GLY A 46 -1.002 -6.285 -2.569 1.00 0.18 C ATOM 632 O GLY A 46 -1.967 -6.808 -2.019 1.00 0.18 O ATOM 0 H GLY A 46 1.888 -5.904 -3.451 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.281 -7.467 -3.810 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.309 -7.917 -2.117 1.00 0.21 H new ATOM 636 N CYS A 47 -1.008 -5.035 -2.990 1.00 0.17 N ATOM 637 CA CYS A 47 -2.120 -4.146 -2.718 1.00 0.15 C ATOM 638 C CYS A 47 -2.955 -3.917 -3.960 1.00 0.19 C ATOM 639 O CYS A 47 -2.509 -3.284 -4.917 1.00 0.25 O ATOM 640 CB CYS A 47 -1.612 -2.808 -2.202 1.00 0.15 C ATOM 641 SG CYS A 47 -2.595 -2.117 -0.841 1.00 0.12 S ATOM 0 H CYS A 47 -0.250 -4.611 -3.525 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.743 -4.619 -1.959 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.581 -2.927 -1.868 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.599 -2.094 -3.026 1.00 0.15 H new ATOM 646 N ASP A 48 -4.164 -4.433 -3.936 1.00 0.19 N ATOM 647 CA ASP A 48 -5.112 -4.199 -5.011 1.00 0.24 C ATOM 648 C ASP A 48 -6.095 -3.119 -4.587 1.00 0.21 C ATOM 649 O ASP A 48 -6.592 -3.139 -3.460 1.00 0.19 O ATOM 650 CB ASP A 48 -5.871 -5.475 -5.380 1.00 0.30 C ATOM 651 CG ASP A 48 -4.966 -6.569 -5.917 1.00 1.50 C ATOM 652 OD1 ASP A 48 -4.445 -6.424 -7.045 1.00 2.21 O ATOM 653 OD2 ASP A 48 -4.760 -7.575 -5.207 1.00 2.02 O ATOM 0 H ASP A 48 -4.518 -5.021 -3.181 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.557 -3.876 -5.892 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.397 -5.846 -4.500 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.628 -5.238 -6.128 1.00 0.30 H new ATOM 658 N PRO A 49 -6.373 -2.153 -5.473 1.00 0.26 N ATOM 659 CA PRO A 49 -7.300 -1.056 -5.189 1.00 0.28 C ATOM 660 C PRO A 49 -8.696 -1.570 -4.873 1.00 0.31 C ATOM 661 O PRO A 49 -9.244 -2.393 -5.613 1.00 0.37 O ATOM 662 CB PRO A 49 -7.324 -0.239 -6.484 1.00 0.35 C ATOM 663 CG PRO A 49 -6.127 -0.668 -7.259 1.00 0.44 C ATOM 664 CD PRO A 49 -5.813 -2.071 -6.827 1.00 0.34 C ATOM 0 HA PRO A 49 -6.986 -0.478 -4.320 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.240 -0.424 -7.046 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.290 0.830 -6.272 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.325 -0.628 -8.330 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.283 -0.006 -7.066 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.266 -2.806 -7.493 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.739 -2.259 -6.828 1.00 0.34 H new ATOM 672 N ILE A 50 -9.277 -1.090 -3.782 1.00 0.30 N ATOM 673 CA ILE A 50 -10.604 -1.533 -3.397 1.00 0.36 C ATOM 674 C ILE A 50 -11.646 -0.729 -4.155 1.00 0.43 C ATOM 675 O ILE A 50 -12.106 0.320 -3.705 1.00 0.46 O ATOM 676 CB ILE A 50 -10.852 -1.417 -1.879 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.707 -2.066 -1.106 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.164 -2.091 -1.515 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.914 -2.077 0.393 1.00 0.31 C ATOM 0 H ILE A 50 -8.855 -0.403 -3.157 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.683 -2.590 -3.652 1.00 0.36 H new ATOM 0 HB ILE A 50 -10.905 -0.361 -1.613 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.581 -3.091 -1.454 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.782 -1.536 -1.332 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.332 -2.005 -0.441 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -12.982 -1.608 -2.050 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.121 -3.144 -1.792 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.060 -2.554 0.875 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.010 -1.053 0.755 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.821 -2.632 0.631 1.00 0.31 H new ATOM 782 N CYS A 59 -11.727 -6.562 1.044 1.00 0.45 N ATOM 783 CA CYS A 59 -10.319 -6.804 1.312 1.00 0.54 C ATOM 784 C CYS A 59 -10.104 -8.212 1.854 1.00 0.55 C ATOM 785 O CYS A 59 -10.953 -8.748 2.565 1.00 0.74 O ATOM 786 CB CYS A 59 -9.783 -5.769 2.301 1.00 0.73 C ATOM 787 SG CYS A 59 -8.009 -5.948 2.674 1.00 0.74 S ATOM 0 HA CYS A 59 -9.772 -6.712 0.374 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.960 -4.772 1.899 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.348 -5.843 3.230 1.00 0.73 H new ATOM 792 N SER A 60 -8.970 -8.807 1.505 1.00 0.64 N ATOM 793 CA SER A 60 -8.646 -10.157 1.935 1.00 0.86 C ATOM 794 C SER A 60 -7.396 -10.180 2.817 1.00 0.71 C ATOM 795 O SER A 60 -6.915 -11.249 3.191 1.00 1.05 O ATOM 796 CB SER A 60 -8.442 -11.049 0.708 1.00 1.24 C ATOM 797 OG SER A 60 -7.517 -10.467 -0.200 1.00 2.14 O ATOM 0 H SER A 60 -8.256 -8.370 0.921 1.00 0.64 H new ATOM 0 HA SER A 60 -9.477 -10.535 2.530 1.00 0.86 H new ATOM 0 HB2 SER A 60 -8.080 -12.028 1.022 1.00 1.24 H new ATOM 0 HB3 SER A 60 -9.397 -11.208 0.207 1.00 1.24 H new ATOM 0 HG SER A 60 -7.403 -11.057 -0.974 1.00 2.14 H new ATOM 803 N ALA A 61 -6.865 -9.006 3.151 1.00 0.38 N ATOM 804 CA ALA A 61 -5.662 -8.933 3.971 1.00 0.32 C ATOM 805 C ALA A 61 -5.668 -7.702 4.879 1.00 0.32 C ATOM 806 O ALA A 61 -6.001 -7.796 6.061 1.00 0.54 O ATOM 807 CB ALA A 61 -4.415 -8.955 3.094 1.00 0.38 C ATOM 0 H ALA A 61 -7.245 -8.102 2.869 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.649 -9.811 4.617 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.527 -8.900 3.723 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.393 -9.879 2.516 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.432 -8.102 2.415 1.00 0.38 H new ATOM 813 N THR A 62 -5.303 -6.549 4.332 1.00 0.22 N ATOM 814 CA THR A 62 -5.237 -5.322 5.115 1.00 0.19 C ATOM 815 C THR A 62 -5.717 -4.120 4.302 1.00 0.18 C ATOM 816 O THR A 62 -5.236 -3.874 3.198 1.00 0.20 O ATOM 817 CB THR A 62 -3.798 -5.064 5.605 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.292 -6.230 6.276 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.747 -3.873 6.551 1.00 0.24 C ATOM 0 H THR A 62 -5.049 -6.438 3.350 1.00 0.22 H new ATOM 0 HA THR A 62 -5.894 -5.450 5.975 1.00 0.19 H new ATOM 0 HB THR A 62 -3.180 -4.843 4.735 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.377 -6.059 6.583 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.720 -3.714 6.881 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.104 -2.982 6.034 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.380 -4.068 7.417 1.00 0.24 H new ATOM 827 N ALA A 63 -6.666 -3.378 4.850 1.00 0.19 N ATOM 828 CA ALA A 63 -7.196 -2.200 4.183 1.00 0.20 C ATOM 829 C ALA A 63 -6.345 -0.984 4.508 1.00 0.17 C ATOM 830 O ALA A 63 -6.063 -0.702 5.673 1.00 0.19 O ATOM 831 CB ALA A 63 -8.643 -1.961 4.588 1.00 0.25 C ATOM 0 H ALA A 63 -7.086 -3.572 5.759 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.166 -2.369 3.107 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.022 -1.075 4.078 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.246 -2.825 4.310 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.699 -1.811 5.666 1.00 0.25 H new ATOM 837 N VAL A 64 -5.932 -0.270 3.476 1.00 0.14 N ATOM 838 CA VAL A 64 -5.064 0.885 3.642 1.00 0.13 C ATOM 839 C VAL A 64 -5.432 1.994 2.669 1.00 0.14 C ATOM 840 O VAL A 64 -6.164 1.774 1.708 1.00 0.21 O ATOM 841 CB VAL A 64 -3.591 0.514 3.421 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.026 -0.244 4.614 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.464 -0.305 2.155 1.00 0.19 C ATOM 0 H VAL A 64 -6.185 -0.470 2.508 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.202 1.234 4.665 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.011 1.431 3.316 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.981 -0.492 4.426 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.096 0.378 5.507 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.595 -1.161 4.765 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.419 -0.570 1.996 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.058 -1.214 2.249 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.824 0.278 1.307 1.00 0.19 H new ATOM 853 N CYS A 65 -4.909 3.176 2.922 1.00 0.17 N ATOM 854 CA CYS A 65 -5.194 4.336 2.101 1.00 0.17 C ATOM 855 C CYS A 65 -3.898 4.995 1.652 1.00 0.13 C ATOM 856 O CYS A 65 -3.184 5.580 2.465 1.00 0.14 O ATOM 857 CB CYS A 65 -6.043 5.329 2.897 1.00 0.23 C ATOM 858 SG CYS A 65 -6.428 6.878 2.018 1.00 0.39 S ATOM 0 H CYS A 65 -4.276 3.360 3.700 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.746 4.021 1.215 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.978 4.844 3.177 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.521 5.572 3.822 1.00 0.23 H new ATOM 0 HG CYS A 65 -7.151 7.642 2.782 1.00 0.39 H new ATOM 863 N CYS A 66 -3.586 4.879 0.369 1.00 0.12 N ATOM 864 CA CYS A 66 -2.363 5.454 -0.171 1.00 0.13 C ATOM 865 C CYS A 66 -2.613 6.805 -0.820 1.00 0.16 C ATOM 866 O CYS A 66 -3.627 7.018 -1.493 1.00 0.23 O ATOM 867 CB CYS A 66 -1.710 4.505 -1.173 1.00 0.19 C ATOM 868 SG CYS A 66 -0.490 3.378 -0.435 1.00 0.65 S ATOM 0 H CYS A 66 -4.163 4.392 -0.317 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.683 5.604 0.668 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.487 3.915 -1.659 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.223 5.093 -1.951 1.00 0.19 H new ATOM 873 N SER A 67 -1.677 7.713 -0.605 1.00 0.24 N ATOM 874 CA SER A 67 -1.761 9.052 -1.156 1.00 0.29 C ATOM 875 C SER A 67 -0.902 9.196 -2.410 1.00 0.32 C ATOM 876 O SER A 67 -1.021 10.175 -3.146 1.00 0.41 O ATOM 877 CB SER A 67 -1.324 10.059 -0.097 1.00 0.35 C ATOM 878 OG SER A 67 -2.177 10.002 1.035 1.00 1.15 O ATOM 0 H SER A 67 -0.841 7.543 -0.046 1.00 0.24 H new ATOM 0 HA SER A 67 -2.795 9.244 -1.444 1.00 0.29 H new ATOM 0 HB2 SER A 67 -0.297 9.853 0.205 1.00 0.35 H new ATOM 0 HB3 SER A 67 -1.337 11.065 -0.518 1.00 0.35 H new ATOM 0 HG SER A 67 -1.878 10.654 1.703 1.00 1.15 H new ATOM 884 N ASP A 68 -0.038 8.220 -2.650 1.00 0.30 N ATOM 885 CA ASP A 68 0.852 8.255 -3.804 1.00 0.37 C ATOM 886 C ASP A 68 0.438 7.189 -4.816 1.00 0.44 C ATOM 887 O ASP A 68 -0.108 6.150 -4.440 1.00 0.57 O ATOM 888 CB ASP A 68 2.302 8.048 -3.366 1.00 0.43 C ATOM 889 CG ASP A 68 3.288 8.291 -4.488 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.586 7.346 -5.240 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.765 9.438 -4.628 1.00 1.52 O ATOM 0 H ASP A 68 0.066 7.394 -2.061 1.00 0.30 H new ATOM 0 HA ASP A 68 0.776 9.234 -4.278 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.527 8.720 -2.537 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.424 7.031 -2.994 1.00 0.43 H new ATOM 896 N ASN A 69 0.684 7.446 -6.095 1.00 0.53 N ATOM 897 CA ASN A 69 0.201 6.562 -7.152 1.00 0.63 C ATOM 898 C ASN A 69 1.331 5.986 -7.997 1.00 0.59 C ATOM 899 O ASN A 69 1.081 5.402 -9.057 1.00 0.64 O ATOM 900 CB ASN A 69 -0.786 7.302 -8.056 1.00 0.84 C ATOM 901 CG ASN A 69 -2.084 7.635 -7.349 1.00 1.67 C ATOM 902 OD1 ASN A 69 -3.035 6.852 -7.367 1.00 2.35 O ATOM 903 ND2 ASN A 69 -2.133 8.798 -6.721 1.00 2.49 N ATOM 0 H ASN A 69 1.212 8.254 -6.425 1.00 0.53 H new ATOM 0 HA ASN A 69 -0.299 5.729 -6.658 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -0.325 8.222 -8.415 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -1.000 6.690 -8.932 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -2.981 9.076 -6.227 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -1.323 9.417 -6.731 1.00 2.49 H new ATOM 910 N ASN A 70 2.568 6.133 -7.538 1.00 0.59 N ATOM 911 CA ASN A 70 3.708 5.567 -8.254 1.00 0.64 C ATOM 912 C ASN A 70 3.841 4.088 -7.905 1.00 0.55 C ATOM 913 O ASN A 70 4.733 3.675 -7.169 1.00 0.86 O ATOM 914 CB ASN A 70 4.995 6.325 -7.916 1.00 0.83 C ATOM 915 CG ASN A 70 6.184 5.886 -8.757 1.00 1.50 C ATOM 916 OD1 ASN A 70 6.930 4.981 -8.382 1.00 2.24 O ATOM 917 ND2 ASN A 70 6.383 6.535 -9.893 1.00 2.27 N ATOM 0 H ASN A 70 2.808 6.634 -6.682 1.00 0.59 H new ATOM 0 HA ASN A 70 3.540 5.666 -9.326 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.830 7.393 -8.061 1.00 0.83 H new ATOM 0 HB3 ASN A 70 5.230 6.179 -6.862 1.00 0.83 H new ATOM 0 HD21 ASN A 70 7.174 6.290 -10.488 1.00 2.27 H new ATOM 0 HD22 ASN A 70 5.745 7.280 -10.173 1.00 2.27 H new ATOM 924 N VAL A 71 2.916 3.297 -8.421 1.00 0.41 N ATOM 925 CA VAL A 71 2.853 1.886 -8.116 1.00 0.38 C ATOM 926 C VAL A 71 3.593 1.062 -9.165 1.00 0.33 C ATOM 927 O VAL A 71 3.713 1.468 -10.322 1.00 0.38 O ATOM 928 CB VAL A 71 1.386 1.421 -8.023 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.662 2.165 -6.910 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.665 1.613 -9.351 1.00 1.03 C ATOM 0 H VAL A 71 2.190 3.618 -9.062 1.00 0.41 H new ATOM 0 HA VAL A 71 3.339 1.731 -7.153 1.00 0.38 H new ATOM 0 HB VAL A 71 1.383 0.356 -7.790 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.372 1.825 -6.858 1.00 1.10 H new ATOM 0 HG12 VAL A 71 1.157 1.968 -5.959 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.682 3.235 -7.115 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.368 1.277 -9.256 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.679 2.668 -9.624 1.00 1.03 H new ATOM 0 HG23 VAL A 71 1.166 1.032 -10.125 1.00 1.03 H new ATOM 940 N SER A 72 4.094 -0.092 -8.741 1.00 0.32 N ATOM 941 CA SER A 72 4.807 -1.007 -9.624 1.00 0.37 C ATOM 942 C SER A 72 3.828 -1.940 -10.319 1.00 0.42 C ATOM 943 O SER A 72 4.192 -2.690 -11.226 1.00 0.55 O ATOM 944 CB SER A 72 5.798 -1.832 -8.806 1.00 0.45 C ATOM 945 OG SER A 72 5.116 -2.630 -7.852 1.00 1.41 O ATOM 0 H SER A 72 4.018 -0.419 -7.778 1.00 0.32 H new ATOM 0 HA SER A 72 5.340 -0.427 -10.378 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.383 -2.469 -9.469 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.500 -1.170 -8.299 1.00 0.45 H new ATOM 0 HG SER A 72 5.766 -3.153 -7.338 1.00 1.41 H new ATOM 951 N GLY A 73 2.582 -1.882 -9.878 1.00 0.39 N ATOM 952 CA GLY A 73 1.562 -2.764 -10.393 1.00 0.48 C ATOM 953 C GLY A 73 0.846 -3.500 -9.292 1.00 0.41 C ATOM 954 O GLY A 73 -0.344 -3.783 -9.401 1.00 0.48 O ATOM 0 H GLY A 73 2.258 -1.230 -9.163 1.00 0.39 H new ATOM 0 HA2 GLY A 73 0.841 -2.186 -10.972 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.015 -3.483 -11.075 1.00 0.48 H new ATOM 958 N VAL A 74 1.559 -3.791 -8.212 1.00 0.31 N ATOM 959 CA VAL A 74 0.961 -4.524 -7.108 1.00 0.28 C ATOM 960 C VAL A 74 1.265 -3.878 -5.763 1.00 0.22 C ATOM 961 O VAL A 74 0.817 -4.353 -4.727 1.00 0.34 O ATOM 962 CB VAL A 74 1.435 -5.989 -7.076 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.284 -6.636 -8.444 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.865 -6.085 -6.581 1.00 0.38 C ATOM 0 H VAL A 74 2.537 -3.535 -8.079 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.115 -4.497 -7.278 1.00 0.28 H new ATOM 0 HB VAL A 74 0.803 -6.535 -6.376 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.625 -7.670 -8.397 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.236 -6.613 -8.744 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.882 -6.089 -9.173 1.00 0.49 H new ATOM 0 HG21 VAL A 74 3.176 -7.130 -6.568 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.519 -5.520 -7.246 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.930 -5.674 -5.573 1.00 0.38 H new ATOM 974 N ILE A 75 2.045 -2.811 -5.766 1.00 0.18 N ATOM 975 CA ILE A 75 2.380 -2.140 -4.517 1.00 0.17 C ATOM 976 C ILE A 75 1.544 -0.894 -4.302 1.00 0.16 C ATOM 977 O ILE A 75 0.716 -0.523 -5.135 1.00 0.20 O ATOM 978 CB ILE A 75 3.859 -1.729 -4.432 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.207 -0.764 -5.556 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.747 -2.945 -4.486 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.466 0.032 -5.309 1.00 0.30 C ATOM 0 H ILE A 75 2.453 -2.394 -6.603 1.00 0.18 H new ATOM 0 HA ILE A 75 2.168 -2.877 -3.743 1.00 0.17 H new ATOM 0 HB ILE A 75 4.024 -1.224 -3.480 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.320 -1.326 -6.483 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.375 -0.075 -5.701 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.791 -2.636 -4.425 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.514 -3.603 -3.649 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.580 -3.476 -5.423 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.648 0.697 -6.153 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.351 0.623 -4.400 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.310 -0.648 -5.195 1.00 0.30 H new ATOM 993 N ALA A 76 1.787 -0.259 -3.173 1.00 0.15 N ATOM 994 CA ALA A 76 1.137 0.984 -2.814 1.00 0.16 C ATOM 995 C ALA A 76 2.090 1.830 -1.973 1.00 0.14 C ATOM 996 O ALA A 76 2.808 1.295 -1.131 1.00 0.15 O ATOM 997 CB ALA A 76 -0.145 0.686 -2.055 1.00 0.18 C ATOM 0 H ALA A 76 2.448 -0.595 -2.473 1.00 0.15 H new ATOM 0 HA ALA A 76 0.880 1.545 -3.713 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.634 1.622 -1.785 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.812 0.097 -2.684 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.090 0.125 -1.150 1.00 0.18 H new ATOM 1003 N ILE A 77 2.116 3.138 -2.210 1.00 0.15 N ATOM 1004 CA ILE A 77 3.040 4.024 -1.504 1.00 0.16 C ATOM 1005 C ILE A 77 2.289 5.121 -0.747 1.00 0.16 C ATOM 1006 O ILE A 77 1.416 5.791 -1.303 1.00 0.21 O ATOM 1007 CB ILE A 77 4.048 4.669 -2.481 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.835 3.583 -3.223 1.00 0.21 C ATOM 1009 CG2 ILE A 77 4.997 5.604 -1.739 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.796 4.126 -4.256 1.00 0.26 C ATOM 0 H ILE A 77 1.511 3.608 -2.883 1.00 0.15 H new ATOM 0 HA ILE A 77 3.585 3.412 -0.785 1.00 0.16 H new ATOM 0 HB ILE A 77 3.493 5.258 -3.211 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.392 2.991 -2.497 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.133 2.908 -3.713 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.698 6.047 -2.446 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.424 6.394 -1.253 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.548 5.040 -0.986 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.316 3.299 -4.739 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.243 4.694 -5.004 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.522 4.777 -3.770 1.00 0.26 H new ATOM 1022 N GLY A 78 2.625 5.290 0.529 1.00 0.16 N ATOM 1023 CA GLY A 78 1.995 6.317 1.338 1.00 0.17 C ATOM 1024 C GLY A 78 0.659 5.865 1.876 1.00 0.15 C ATOM 1025 O GLY A 78 -0.323 6.600 1.805 1.00 0.17 O ATOM 0 H GLY A 78 3.325 4.732 1.018 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.651 6.580 2.168 1.00 0.17 H new ATOM 0 HA3 GLY A 78 1.860 7.219 0.741 1.00 0.17 H new ATOM 1029 N CYS A 79 0.621 4.652 2.412 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.622 4.058 2.871 1.00 0.13 C ATOM 1031 C CYS A 79 -0.802 4.182 4.374 1.00 0.13 C ATOM 1032 O CYS A 79 0.159 4.126 5.139 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.673 2.588 2.471 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.539 2.277 0.901 1.00 0.65 S ATOM 0 H CYS A 79 1.442 4.060 2.539 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.436 4.606 2.396 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.346 2.208 2.394 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.165 2.023 3.263 1.00 0.15 H new ATOM 1039 N LEU A 80 -2.046 4.378 4.779 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.420 4.351 6.183 1.00 0.15 C ATOM 1041 C LEU A 80 -3.447 3.255 6.420 1.00 0.15 C ATOM 1042 O LEU A 80 -4.394 3.116 5.649 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.997 5.696 6.607 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.047 6.882 6.454 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.766 8.181 6.773 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.835 6.702 7.356 1.00 0.26 C ATOM 0 H LEU A 80 -2.824 4.560 4.145 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.529 4.149 6.778 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.895 5.891 6.020 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.306 5.629 7.650 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.705 6.927 5.420 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.075 9.017 6.659 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.606 8.309 6.090 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.133 8.151 7.799 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.165 7.553 7.239 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.161 6.637 8.394 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.310 5.787 7.082 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.260 2.453 7.476 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.166 1.348 7.812 1.00 0.17 C ATOM 1060 C PRO A 81 -5.561 1.836 8.189 1.00 0.21 C ATOM 1061 O PRO A 81 -5.726 2.617 9.130 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.496 0.673 9.014 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.096 1.183 9.029 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.148 2.557 8.429 1.00 0.17 C ATOM 0 HA PRO A 81 -4.314 0.680 6.964 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -4.013 0.920 9.941 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.517 -0.412 8.916 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.704 1.216 10.046 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.438 0.531 8.455 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.332 3.321 9.184 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.213 2.818 7.933 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.557 1.373 7.452 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.930 1.752 7.688 1.00 0.30 C ATOM 1074 C VAL A 82 -8.791 0.522 7.933 1.00 0.39 C ATOM 1075 O VAL A 82 -8.499 -0.566 7.437 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.511 2.549 6.504 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.963 3.965 6.484 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.228 1.855 5.182 1.00 0.20 C ATOM 0 H VAL A 82 -6.431 0.724 6.675 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.939 2.388 8.573 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.592 2.597 6.638 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.388 4.508 5.639 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.229 4.471 7.412 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.878 3.934 6.386 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.650 2.441 4.366 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.151 1.762 5.043 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.680 0.863 5.188 1.00 0.20 H new