USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot 180:sc= -0.978 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.98,f=-2.1!) USER MOD Single : A 11 CYS SG : rot -164:sc= -7.88! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.171 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 32 SER OG : rot 180:sc= -0.576 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 44 ASN : amide:sc= -1.38 K(o=-1.4,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.0033) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.422 USER MOD Single : A 60 THR OG1 : rot 140:sc= -0.892 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.711 -3.635 -9.882 1.00 0.00 N ATOM 102 CA ASP A 7 91.085 -4.459 -8.690 1.00 0.00 C ATOM 103 C ASP A 7 90.171 -4.122 -7.505 1.00 0.00 C ATOM 104 O ASP A 7 89.976 -4.934 -6.619 1.00 0.00 O ATOM 105 CB ASP A 7 92.539 -4.092 -8.373 1.00 0.00 C ATOM 106 CG ASP A 7 93.449 -4.509 -9.536 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.114 -5.465 -10.218 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.465 -3.862 -9.724 1.00 0.00 O ATOM 0 HA ASP A 7 90.976 -5.526 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.623 -3.019 -8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.857 -4.588 -7.456 1.00 0.00 H new ATOM 113 N TRP A 8 89.613 -2.932 -7.484 1.00 0.00 N ATOM 114 CA TRP A 8 88.743 -2.525 -6.337 1.00 0.00 C ATOM 115 C TRP A 8 87.360 -3.180 -6.423 1.00 0.00 C ATOM 116 O TRP A 8 86.620 -3.171 -5.460 1.00 0.00 O ATOM 117 CB TRP A 8 88.611 -1.006 -6.425 1.00 0.00 C ATOM 118 CG TRP A 8 89.668 -0.269 -5.667 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.319 0.829 -6.124 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.207 -0.547 -4.340 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.231 1.250 -5.169 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.215 0.445 -4.050 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.936 -1.558 -3.345 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.936 0.441 -2.818 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.660 -1.567 -2.103 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.659 -0.570 -1.842 1.00 0.00 C ATOM 0 H TRP A 8 89.724 -2.227 -8.213 1.00 0.00 H new ATOM 0 HA TRP A 8 89.181 -2.842 -5.391 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.651 -0.706 -7.472 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.632 -0.712 -6.046 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.153 1.301 -7.081 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.842 2.059 -5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.186 -2.311 -3.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.685 1.195 -2.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.452 -2.326 -1.364 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.202 -0.582 -0.909 1.00 0.00 H new ATOM 137 N ILE A 9 86.994 -3.753 -7.551 1.00 0.00 N ATOM 138 CA ILE A 9 85.578 -4.227 -7.729 1.00 0.00 C ATOM 139 C ILE A 9 85.196 -5.205 -6.603 1.00 0.00 C ATOM 140 O ILE A 9 85.938 -6.112 -6.274 1.00 0.00 O ATOM 141 CB ILE A 9 85.539 -4.920 -9.105 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.911 -3.924 -10.222 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.132 -5.470 -9.373 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.959 -2.722 -10.213 1.00 0.00 C ATOM 0 H ILE A 9 87.609 -3.912 -8.349 1.00 0.00 H new ATOM 0 HA ILE A 9 84.864 -3.405 -7.683 1.00 0.00 H new ATOM 0 HB ILE A 9 86.260 -5.737 -9.098 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.937 -3.583 -10.085 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.867 -4.422 -11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.112 -5.958 -10.347 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.870 -6.192 -8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.413 -4.651 -9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.238 -2.031 -11.008 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.937 -3.066 -10.373 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.024 -2.214 -9.251 1.00 0.00 H new ATOM 156 N GLY A 10 84.039 -5.013 -6.021 1.00 0.00 N ATOM 157 CA GLY A 10 83.600 -5.877 -4.886 1.00 0.00 C ATOM 158 C GLY A 10 84.156 -5.381 -3.537 1.00 0.00 C ATOM 159 O GLY A 10 83.875 -5.976 -2.511 1.00 0.00 O ATOM 0 H GLY A 10 83.374 -4.287 -6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.511 -5.896 -4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.931 -6.901 -5.060 1.00 0.00 H new ATOM 163 N CYS A 11 84.933 -4.311 -3.513 1.00 0.00 N ATOM 164 CA CYS A 11 85.439 -3.790 -2.196 1.00 0.00 C ATOM 165 C CYS A 11 84.386 -2.878 -1.537 1.00 0.00 C ATOM 166 O CYS A 11 83.551 -2.303 -2.209 1.00 0.00 O ATOM 167 CB CYS A 11 86.779 -3.061 -2.499 1.00 0.00 C ATOM 168 SG CYS A 11 86.546 -1.386 -3.181 1.00 0.00 S ATOM 0 H CYS A 11 85.232 -3.787 -4.335 1.00 0.00 H new ATOM 0 HA CYS A 11 85.616 -4.589 -1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.365 -2.995 -1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.358 -3.657 -3.205 1.00 0.00 H new ATOM 0 HG CYS A 11 87.657 -0.977 -3.718 1.00 0.00 H new ATOM 174 N ALA A 12 84.430 -2.748 -0.234 1.00 0.00 N ATOM 175 CA ALA A 12 83.385 -1.956 0.486 1.00 0.00 C ATOM 176 C ALA A 12 83.818 -0.493 0.599 1.00 0.00 C ATOM 177 O ALA A 12 84.843 -0.195 1.184 1.00 0.00 O ATOM 178 CB ALA A 12 83.296 -2.594 1.872 1.00 0.00 C ATOM 0 H ALA A 12 85.147 -3.158 0.364 1.00 0.00 H new ATOM 0 HA ALA A 12 82.426 -1.966 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.548 -2.069 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 12 83.011 -3.641 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.265 -2.527 2.366 1.00 0.00 H new ATOM 184 N VAL A 13 83.047 0.416 0.050 1.00 0.00 N ATOM 185 CA VAL A 13 83.441 1.858 0.084 1.00 0.00 C ATOM 186 C VAL A 13 82.241 2.740 0.443 1.00 0.00 C ATOM 187 O VAL A 13 81.099 2.346 0.281 1.00 0.00 O ATOM 188 CB VAL A 13 83.949 2.176 -1.329 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.157 1.292 -1.645 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.843 1.908 -2.359 1.00 0.00 C ATOM 0 H VAL A 13 82.163 0.220 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 13 84.203 2.051 0.839 1.00 0.00 H new ATOM 0 HB VAL A 13 84.236 3.227 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.519 1.516 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.949 1.486 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.865 0.243 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.213 2.137 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.549 0.860 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.981 2.537 -2.139 1.00 0.00 H new ATOM 200 N SER A 14 82.501 3.928 0.929 1.00 0.00 N ATOM 201 CA SER A 14 81.398 4.894 1.200 1.00 0.00 C ATOM 202 C SER A 14 81.640 6.173 0.410 1.00 0.00 C ATOM 203 O SER A 14 82.764 6.621 0.278 1.00 0.00 O ATOM 204 CB SER A 14 81.459 5.164 2.702 1.00 0.00 C ATOM 205 OG SER A 14 80.557 6.214 3.028 1.00 0.00 O ATOM 0 H SER A 14 83.436 4.270 1.150 1.00 0.00 H new ATOM 0 HA SER A 14 80.421 4.510 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.200 4.262 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.473 5.437 2.993 1.00 0.00 H new ATOM 0 HG SER A 14 80.593 6.388 3.992 1.00 0.00 H new ATOM 211 N ILE A 15 80.597 6.763 -0.116 1.00 0.00 N ATOM 212 CA ILE A 15 80.780 7.926 -1.035 1.00 0.00 C ATOM 213 C ILE A 15 80.041 9.143 -0.483 1.00 0.00 C ATOM 214 O ILE A 15 78.837 9.113 -0.297 1.00 0.00 O ATOM 215 CB ILE A 15 80.172 7.503 -2.389 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.676 6.106 -2.836 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.559 8.535 -3.451 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.208 6.034 -2.810 1.00 0.00 C ATOM 0 H ILE A 15 79.628 6.490 0.051 1.00 0.00 H new ATOM 0 HA ILE A 15 81.831 8.195 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 15 79.090 7.450 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.262 5.340 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.316 5.892 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.134 8.245 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.174 9.514 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.645 8.582 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.531 5.043 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.619 6.784 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.564 6.224 -1.797 1.00 0.00 H new ATOM 230 N ALA A 16 80.757 10.209 -0.225 1.00 0.00 N ATOM 231 CA ALA A 16 80.101 11.468 0.226 1.00 0.00 C ATOM 232 C ALA A 16 79.905 12.394 -0.973 1.00 0.00 C ATOM 233 O ALA A 16 80.855 12.924 -1.519 1.00 0.00 O ATOM 234 CB ALA A 16 81.070 12.087 1.234 1.00 0.00 C ATOM 0 H ALA A 16 81.772 10.258 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 16 79.121 11.296 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.654 13.021 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.223 11.396 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.024 12.286 0.746 1.00 0.00 H new ATOM 240 N CYS A 17 78.679 12.581 -1.388 1.00 0.00 N ATOM 241 CA CYS A 17 78.387 13.498 -2.529 1.00 0.00 C ATOM 242 C CYS A 17 78.014 14.880 -1.990 1.00 0.00 C ATOM 243 O CYS A 17 77.756 15.038 -0.810 1.00 0.00 O ATOM 244 CB CYS A 17 77.199 12.879 -3.276 1.00 0.00 C ATOM 245 SG CYS A 17 77.602 11.195 -3.823 1.00 0.00 S ATOM 0 H CYS A 17 77.859 12.132 -0.980 1.00 0.00 H new ATOM 0 HA CYS A 17 79.247 13.618 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.324 12.857 -2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.941 13.496 -4.137 1.00 0.00 H new ATOM 0 HG CYS A 17 76.583 10.687 -4.451 1.00 0.00 H new ATOM 251 N ASP A 18 77.983 15.878 -2.839 1.00 0.00 N ATOM 252 CA ASP A 18 77.678 17.267 -2.363 1.00 0.00 C ATOM 253 C ASP A 18 76.295 17.301 -1.693 1.00 0.00 C ATOM 254 O ASP A 18 75.543 16.349 -1.759 1.00 0.00 O ATOM 255 CB ASP A 18 77.705 18.153 -3.612 1.00 0.00 C ATOM 256 CG ASP A 18 79.113 18.156 -4.219 1.00 0.00 C ATOM 257 OD1 ASP A 18 80.066 18.000 -3.472 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.213 18.315 -5.425 1.00 0.00 O ATOM 0 H ASP A 18 78.155 15.793 -3.841 1.00 0.00 H new ATOM 0 HA ASP A 18 78.399 17.613 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 18 76.985 17.787 -4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.409 19.170 -3.354 1.00 0.00 H new ATOM 263 N GLU A 19 75.965 18.393 -1.053 1.00 0.00 N ATOM 264 CA GLU A 19 74.800 18.401 -0.103 1.00 0.00 C ATOM 265 C GLU A 19 73.514 17.904 -0.776 1.00 0.00 C ATOM 266 O GLU A 19 72.690 17.267 -0.144 1.00 0.00 O ATOM 267 CB GLU A 19 74.638 19.862 0.325 1.00 0.00 C ATOM 268 CG GLU A 19 75.871 20.305 1.117 1.00 0.00 C ATOM 269 CD GLU A 19 75.669 21.734 1.621 1.00 0.00 C ATOM 270 OE1 GLU A 19 75.779 22.646 0.819 1.00 0.00 O ATOM 271 OE2 GLU A 19 75.405 21.893 2.802 1.00 0.00 O ATOM 0 H GLU A 19 76.451 19.285 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 19 74.980 17.735 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.510 20.496 -0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.742 19.976 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.037 19.632 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.759 20.253 0.487 1.00 0.00 H new ATOM 278 N VAL A 20 73.337 18.188 -2.043 1.00 0.00 N ATOM 279 CA VAL A 20 72.059 17.804 -2.729 1.00 0.00 C ATOM 280 C VAL A 20 72.035 16.292 -3.004 1.00 0.00 C ATOM 281 O VAL A 20 70.979 15.695 -3.114 1.00 0.00 O ATOM 282 CB VAL A 20 72.049 18.602 -4.041 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.780 18.282 -4.838 1.00 0.00 C ATOM 284 CG2 VAL A 20 72.082 20.101 -3.729 1.00 0.00 C ATOM 0 H VAL A 20 74.018 18.667 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 20 71.182 18.024 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 20 72.925 18.328 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.780 18.852 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.753 17.216 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.903 18.550 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 20 72.075 20.667 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.208 20.368 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.987 20.336 -3.169 1.00 0.00 H new ATOM 294 N LEU A 21 73.187 15.674 -3.115 1.00 0.00 N ATOM 295 CA LEU A 21 73.241 14.209 -3.407 1.00 0.00 C ATOM 296 C LEU A 21 73.268 13.374 -2.115 1.00 0.00 C ATOM 297 O LEU A 21 73.016 12.183 -2.142 1.00 0.00 O ATOM 298 CB LEU A 21 74.541 14.035 -4.185 1.00 0.00 C ATOM 299 CG LEU A 21 74.421 14.720 -5.550 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.768 14.653 -6.272 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.360 14.005 -6.391 1.00 0.00 C ATOM 0 H LEU A 21 74.096 16.125 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 21 72.365 13.869 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.372 14.463 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.758 12.975 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 21 74.132 15.761 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.685 15.140 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.526 15.161 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.054 13.611 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.275 14.493 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.649 12.964 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.399 14.048 -5.878 1.00 0.00 H new ATOM 313 N GLY A 22 73.567 13.983 -0.989 1.00 0.00 N ATOM 314 CA GLY A 22 73.618 13.221 0.298 1.00 0.00 C ATOM 315 C GLY A 22 74.744 12.182 0.256 1.00 0.00 C ATOM 316 O GLY A 22 75.736 12.354 -0.429 1.00 0.00 O ATOM 0 H GLY A 22 73.778 14.978 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.778 13.908 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.663 12.726 0.473 1.00 0.00 H new ATOM 320 N VAL A 23 74.595 11.104 0.988 1.00 0.00 N ATOM 321 CA VAL A 23 75.692 10.086 1.075 1.00 0.00 C ATOM 322 C VAL A 23 75.125 8.682 0.859 1.00 0.00 C ATOM 323 O VAL A 23 74.050 8.366 1.334 1.00 0.00 O ATOM 324 CB VAL A 23 76.261 10.201 2.497 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.458 9.254 2.649 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.715 11.639 2.769 1.00 0.00 C ATOM 0 H VAL A 23 73.760 10.884 1.530 1.00 0.00 H new ATOM 0 HA VAL A 23 76.456 10.257 0.317 1.00 0.00 H new ATOM 0 HB VAL A 23 75.484 9.930 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.861 9.336 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.136 8.228 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.229 9.523 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.117 11.709 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.487 11.919 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.865 12.314 2.669 1.00 0.00 H new ATOM 336 N PHE A 24 75.842 7.842 0.150 1.00 0.00 N ATOM 337 CA PHE A 24 75.423 6.411 0.041 1.00 0.00 C ATOM 338 C PHE A 24 76.615 5.488 0.314 1.00 0.00 C ATOM 339 O PHE A 24 77.758 5.888 0.210 1.00 0.00 O ATOM 340 CB PHE A 24 74.900 6.216 -1.391 1.00 0.00 C ATOM 341 CG PHE A 24 75.960 6.323 -2.469 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.691 5.151 -2.856 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.255 7.587 -3.085 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.709 5.239 -3.863 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.276 7.672 -4.089 1.00 0.00 C ATOM 346 CZ PHE A 24 78.000 6.499 -4.480 1.00 0.00 C ATOM 0 H PHE A 24 76.694 8.085 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 24 74.652 6.166 0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.427 5.237 -1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.126 6.959 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.475 4.202 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.709 8.472 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.256 4.355 -4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.499 8.622 -4.551 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.765 6.565 -5.240 1.00 0.00 H new ATOM 356 N GLN A 25 76.347 4.257 0.664 1.00 0.00 N ATOM 357 CA GLN A 25 77.443 3.271 0.899 1.00 0.00 C ATOM 358 C GLN A 25 77.078 1.937 0.245 1.00 0.00 C ATOM 359 O GLN A 25 75.919 1.564 0.198 1.00 0.00 O ATOM 360 CB GLN A 25 77.529 3.133 2.420 1.00 0.00 C ATOM 361 CG GLN A 25 77.905 4.488 3.030 1.00 0.00 C ATOM 362 CD GLN A 25 77.961 4.386 4.558 1.00 0.00 C ATOM 363 OE1 GLN A 25 77.933 3.305 5.116 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.038 5.480 5.266 1.00 0.00 N ATOM 0 H GLN A 25 75.405 3.889 0.798 1.00 0.00 H new ATOM 0 HA GLN A 25 78.396 3.585 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.574 2.793 2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.272 2.382 2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.872 4.812 2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.175 5.242 2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.062 6.388 4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.075 5.427 6.284 1.00 0.00 H new ATOM 373 N GLY A 26 78.054 1.222 -0.261 1.00 0.00 N ATOM 374 CA GLY A 26 77.756 -0.039 -1.004 1.00 0.00 C ATOM 375 C GLY A 26 79.059 -0.727 -1.409 1.00 0.00 C ATOM 376 O GLY A 26 80.132 -0.163 -1.291 1.00 0.00 O ATOM 0 H GLY A 26 79.044 1.459 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.161 -0.706 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.162 0.183 -1.890 1.00 0.00 H new ATOM 380 N LEU A 27 78.969 -1.945 -1.881 1.00 0.00 N ATOM 381 CA LEU A 27 80.167 -2.619 -2.463 1.00 0.00 C ATOM 382 C LEU A 27 80.254 -2.323 -3.961 1.00 0.00 C ATOM 383 O LEU A 27 79.269 -2.378 -4.673 1.00 0.00 O ATOM 384 CB LEU A 27 79.943 -4.113 -2.223 1.00 0.00 C ATOM 385 CG LEU A 27 80.021 -4.409 -0.725 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.438 -5.796 -0.448 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.486 -4.372 -0.273 1.00 0.00 C ATOM 0 H LEU A 27 78.115 -2.502 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 27 81.097 -2.273 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.970 -4.412 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.694 -4.694 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 27 79.451 -3.659 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.493 -6.007 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.397 -5.824 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 27 80.008 -6.546 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.543 -4.583 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 27 82.055 -5.122 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.903 -3.384 -0.470 1.00 0.00 H new ATOM 399 N ILE A 28 81.431 -2.010 -4.433 1.00 0.00 N ATOM 400 CA ILE A 28 81.599 -1.628 -5.871 1.00 0.00 C ATOM 401 C ILE A 28 81.313 -2.832 -6.776 1.00 0.00 C ATOM 402 O ILE A 28 81.733 -3.940 -6.503 1.00 0.00 O ATOM 403 CB ILE A 28 83.066 -1.180 -5.999 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.303 0.033 -5.087 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.389 -0.804 -7.454 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.786 0.415 -5.106 1.00 0.00 C ATOM 0 H ILE A 28 82.290 -2.002 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 28 80.910 -0.839 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 28 83.717 -2.002 -5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.697 0.875 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.991 -0.200 -4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.430 -0.490 -7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.225 -1.668 -8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.741 0.013 -7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.948 1.276 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.383 -0.425 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.084 0.666 -6.124 1.00 0.00 H new ATOM 418 N LYS A 29 80.595 -2.613 -7.850 1.00 0.00 N ATOM 419 CA LYS A 29 80.372 -3.698 -8.850 1.00 0.00 C ATOM 420 C LYS A 29 81.154 -3.398 -10.132 1.00 0.00 C ATOM 421 O LYS A 29 81.547 -4.298 -10.852 1.00 0.00 O ATOM 422 CB LYS A 29 78.868 -3.688 -9.122 1.00 0.00 C ATOM 423 CG LYS A 29 78.514 -4.836 -10.067 1.00 0.00 C ATOM 424 CD LYS A 29 78.561 -6.161 -9.303 1.00 0.00 C ATOM 425 CE LYS A 29 78.168 -7.306 -10.239 1.00 0.00 C ATOM 426 NZ LYS A 29 77.481 -8.297 -9.366 1.00 0.00 N ATOM 0 H LYS A 29 80.152 -1.723 -8.076 1.00 0.00 H new ATOM 0 HA LYS A 29 80.711 -4.669 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.318 -3.790 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.574 -2.736 -9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.520 -4.682 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 29 79.213 -4.861 -10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 29 79.562 -6.329 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.883 -6.125 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.510 -6.957 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 29 79.044 -7.743 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.181 -9.113 -9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 78.134 -8.616 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.647 -7.855 -8.929 1.00 0.00 H new ATOM 440 N GLN A 30 81.381 -2.137 -10.420 1.00 0.00 N ATOM 441 CA GLN A 30 82.147 -1.765 -11.647 1.00 0.00 C ATOM 442 C GLN A 30 82.719 -0.354 -11.493 1.00 0.00 C ATOM 443 O GLN A 30 82.122 0.495 -10.859 1.00 0.00 O ATOM 444 CB GLN A 30 81.128 -1.814 -12.786 1.00 0.00 C ATOM 445 CG GLN A 30 81.838 -1.569 -14.119 1.00 0.00 C ATOM 446 CD GLN A 30 80.802 -1.484 -15.242 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.929 -0.640 -15.215 1.00 0.00 O ATOM 448 NE2 GLN A 30 80.862 -2.329 -16.234 1.00 0.00 N ATOM 0 H GLN A 30 81.066 -1.349 -9.854 1.00 0.00 H new ATOM 0 HA GLN A 30 82.988 -2.434 -11.832 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.630 -2.783 -12.800 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.356 -1.061 -12.630 1.00 0.00 H new ATOM 0 HG2 GLN A 30 82.415 -0.645 -14.071 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.543 -2.375 -14.321 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.595 -3.038 -16.257 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.176 -2.281 -16.987 1.00 0.00 H new ATOM 457 N ILE A 31 83.870 -0.101 -12.067 1.00 0.00 N ATOM 458 CA ILE A 31 84.504 1.248 -11.930 1.00 0.00 C ATOM 459 C ILE A 31 85.086 1.692 -13.274 1.00 0.00 C ATOM 460 O ILE A 31 85.695 0.917 -13.988 1.00 0.00 O ATOM 461 CB ILE A 31 85.611 1.090 -10.875 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.995 0.615 -9.551 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.320 2.436 -10.658 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.101 0.360 -8.522 1.00 0.00 C ATOM 0 H ILE A 31 84.399 -0.771 -12.625 1.00 0.00 H new ATOM 0 HA ILE A 31 83.783 2.008 -11.628 1.00 0.00 H new ATOM 0 HB ILE A 31 86.336 0.355 -11.224 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.301 1.366 -9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.421 -0.297 -9.714 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.103 2.318 -9.909 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.762 2.770 -11.597 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.598 3.176 -10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.656 0.023 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.778 -0.407 -8.898 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.657 1.282 -8.349 1.00 0.00 H new ATOM 476 N SER A 32 84.896 2.941 -13.616 1.00 0.00 N ATOM 477 CA SER A 32 85.525 3.502 -14.846 1.00 0.00 C ATOM 478 C SER A 32 85.876 4.970 -14.611 1.00 0.00 C ATOM 479 O SER A 32 85.312 5.618 -13.750 1.00 0.00 O ATOM 480 CB SER A 32 84.468 3.367 -15.940 1.00 0.00 C ATOM 481 OG SER A 32 83.360 4.201 -15.626 1.00 0.00 O ATOM 0 H SER A 32 84.325 3.602 -13.088 1.00 0.00 H new ATOM 0 HA SER A 32 86.445 2.985 -15.119 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.889 3.649 -16.905 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.145 2.329 -16.024 1.00 0.00 H new ATOM 0 HG SER A 32 82.680 4.119 -16.327 1.00 0.00 H new ATOM 487 N ALA A 33 86.794 5.503 -15.378 1.00 0.00 N ATOM 488 CA ALA A 33 87.333 6.873 -15.083 1.00 0.00 C ATOM 489 C ALA A 33 86.207 7.914 -15.006 1.00 0.00 C ATOM 490 O ALA A 33 86.358 8.946 -14.376 1.00 0.00 O ATOM 491 CB ALA A 33 88.274 7.197 -16.245 1.00 0.00 C ATOM 0 H ALA A 33 87.196 5.050 -16.198 1.00 0.00 H new ATOM 0 HA ALA A 33 87.841 6.897 -14.119 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.707 8.187 -16.098 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.071 6.455 -16.285 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.715 7.181 -17.181 1.00 0.00 H new ATOM 497 N GLU A 34 85.086 7.654 -15.637 1.00 0.00 N ATOM 498 CA GLU A 34 84.005 8.687 -15.710 1.00 0.00 C ATOM 499 C GLU A 34 83.002 8.523 -14.559 1.00 0.00 C ATOM 500 O GLU A 34 82.360 9.477 -14.158 1.00 0.00 O ATOM 501 CB GLU A 34 83.321 8.452 -17.059 1.00 0.00 C ATOM 502 CG GLU A 34 84.317 8.714 -18.196 1.00 0.00 C ATOM 503 CD GLU A 34 84.760 10.185 -18.190 1.00 0.00 C ATOM 504 OE1 GLU A 34 84.031 11.011 -17.663 1.00 0.00 O ATOM 505 OE2 GLU A 34 85.827 10.458 -18.714 1.00 0.00 O ATOM 0 H GLU A 34 84.874 6.772 -16.104 1.00 0.00 H new ATOM 0 HA GLU A 34 84.406 9.697 -15.622 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.950 7.429 -17.116 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.458 9.110 -17.160 1.00 0.00 H new ATOM 0 HG2 GLU A 34 85.186 8.065 -18.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 83.858 8.469 -19.154 1.00 0.00 H new ATOM 512 N GLU A 35 82.862 7.331 -14.027 1.00 0.00 N ATOM 513 CA GLU A 35 81.782 7.079 -13.020 1.00 0.00 C ATOM 514 C GLU A 35 82.131 5.882 -12.125 1.00 0.00 C ATOM 515 O GLU A 35 82.908 5.022 -12.496 1.00 0.00 O ATOM 516 CB GLU A 35 80.520 6.800 -13.845 1.00 0.00 C ATOM 517 CG GLU A 35 80.739 5.582 -14.750 1.00 0.00 C ATOM 518 CD GLU A 35 79.522 5.393 -15.657 1.00 0.00 C ATOM 519 OE1 GLU A 35 79.139 6.351 -16.308 1.00 0.00 O ATOM 520 OE2 GLU A 35 78.994 4.293 -15.685 1.00 0.00 O ATOM 0 H GLU A 35 83.447 6.525 -14.246 1.00 0.00 H new ATOM 0 HA GLU A 35 81.648 7.928 -12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.674 6.622 -13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.272 7.672 -14.450 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.637 5.720 -15.353 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.896 4.690 -14.144 1.00 0.00 H new ATOM 527 N ILE A 36 81.557 5.829 -10.949 1.00 0.00 N ATOM 528 CA ILE A 36 81.699 4.614 -10.084 1.00 0.00 C ATOM 529 C ILE A 36 80.332 3.941 -9.915 1.00 0.00 C ATOM 530 O ILE A 36 79.328 4.610 -9.750 1.00 0.00 O ATOM 531 CB ILE A 36 82.212 5.134 -8.732 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.533 5.907 -8.918 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.440 3.954 -7.783 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.602 5.007 -9.557 1.00 0.00 C ATOM 0 H ILE A 36 80.993 6.578 -10.548 1.00 0.00 H new ATOM 0 HA ILE A 36 82.377 3.876 -10.513 1.00 0.00 H new ATOM 0 HB ILE A 36 81.467 5.808 -8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.363 6.781 -9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.886 6.271 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.804 4.323 -6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.501 3.420 -7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.177 3.277 -8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.527 5.571 -9.680 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.785 4.146 -8.914 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.254 4.664 -10.531 1.00 0.00 H new ATOM 546 N THR A 37 80.287 2.628 -9.956 1.00 0.00 N ATOM 547 CA THR A 37 78.975 1.915 -9.863 1.00 0.00 C ATOM 548 C THR A 37 79.009 0.877 -8.733 1.00 0.00 C ATOM 549 O THR A 37 79.949 0.114 -8.612 1.00 0.00 O ATOM 550 CB THR A 37 78.806 1.223 -11.217 1.00 0.00 C ATOM 551 OG1 THR A 37 78.880 2.193 -12.254 1.00 0.00 O ATOM 552 CG2 THR A 37 77.449 0.518 -11.271 1.00 0.00 C ATOM 0 H THR A 37 81.102 2.022 -10.050 1.00 0.00 H new ATOM 0 HA THR A 37 78.152 2.595 -9.643 1.00 0.00 H new ATOM 0 HB THR A 37 79.598 0.486 -11.349 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.774 1.752 -13.123 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.333 0.026 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.394 -0.226 -10.476 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.653 1.251 -11.138 1.00 0.00 H new ATOM 560 N ILE A 38 77.985 0.844 -7.913 1.00 0.00 N ATOM 561 CA ILE A 38 77.950 -0.124 -6.765 1.00 0.00 C ATOM 562 C ILE A 38 76.572 -0.794 -6.678 1.00 0.00 C ATOM 563 O ILE A 38 75.653 -0.434 -7.387 1.00 0.00 O ATOM 564 CB ILE A 38 78.210 0.691 -5.489 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.200 1.844 -5.400 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.641 1.247 -5.495 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.923 2.176 -3.935 1.00 0.00 C ATOM 0 H ILE A 38 77.167 1.448 -7.988 1.00 0.00 H new ATOM 0 HA ILE A 38 78.697 -0.907 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 38 78.093 0.041 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.590 2.722 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.273 1.567 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.812 1.822 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.352 0.422 -5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.777 1.892 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.206 2.995 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.514 1.299 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.852 2.472 -3.447 1.00 0.00 H new ATOM 579 N VAL A 39 76.432 -1.761 -5.805 1.00 0.00 N ATOM 580 CA VAL A 39 75.139 -2.513 -5.697 1.00 0.00 C ATOM 581 C VAL A 39 74.636 -2.519 -4.247 1.00 0.00 C ATOM 582 O VAL A 39 75.375 -2.233 -3.326 1.00 0.00 O ATOM 583 CB VAL A 39 75.448 -3.937 -6.175 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.901 -3.891 -7.634 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.559 -4.550 -5.315 1.00 0.00 C ATOM 0 H VAL A 39 77.160 -2.065 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 39 74.353 -2.053 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 39 74.550 -4.549 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 39 76.122 -4.901 -7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.108 -3.464 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.797 -3.275 -7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.772 -5.561 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.460 -3.942 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.237 -4.584 -4.274 1.00 0.00 H new ATOM 595 N ARG A 40 73.375 -2.839 -4.045 1.00 0.00 N ATOM 596 CA ARG A 40 72.763 -2.776 -2.671 1.00 0.00 C ATOM 597 C ARG A 40 72.915 -1.369 -2.088 1.00 0.00 C ATOM 598 O ARG A 40 73.626 -1.154 -1.123 1.00 0.00 O ATOM 599 CB ARG A 40 73.507 -3.811 -1.812 1.00 0.00 C ATOM 600 CG ARG A 40 73.382 -5.195 -2.452 1.00 0.00 C ATOM 601 CD ARG A 40 71.921 -5.647 -2.413 1.00 0.00 C ATOM 602 NE ARG A 40 71.937 -7.047 -2.941 1.00 0.00 N ATOM 603 CZ ARG A 40 72.083 -7.304 -4.230 1.00 0.00 C ATOM 604 NH1 ARG A 40 72.224 -6.345 -5.120 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.087 -8.546 -4.631 1.00 0.00 N ATOM 0 H ARG A 40 72.737 -3.144 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 40 71.696 -2.996 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.558 -3.535 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.093 -3.827 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.736 -5.164 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 40 74.009 -5.911 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.523 -5.612 -1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.291 -5.001 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 40 71.832 -7.824 -2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 40 72.223 -5.369 -4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 40 72.335 -6.577 -6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 40 71.979 -9.301 -3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 40 72.199 -8.762 -5.622 1.00 0.00 H new ATOM 619 N ALA A 41 72.243 -0.412 -2.677 1.00 0.00 N ATOM 620 CA ALA A 41 72.424 1.017 -2.264 1.00 0.00 C ATOM 621 C ALA A 41 71.869 1.270 -0.858 1.00 0.00 C ATOM 622 O ALA A 41 70.709 1.020 -0.580 1.00 0.00 O ATOM 623 CB ALA A 41 71.629 1.830 -3.288 1.00 0.00 C ATOM 0 H ALA A 41 71.572 -0.558 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 41 73.479 1.288 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.712 2.891 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 41 72.027 1.647 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.581 1.532 -3.255 1.00 0.00 H new ATOM 629 N PHE A 42 72.694 1.767 0.028 1.00 0.00 N ATOM 630 CA PHE A 42 72.176 2.325 1.313 1.00 0.00 C ATOM 631 C PHE A 42 72.461 3.828 1.363 1.00 0.00 C ATOM 632 O PHE A 42 73.563 4.259 1.091 1.00 0.00 O ATOM 633 CB PHE A 42 72.934 1.589 2.421 1.00 0.00 C ATOM 634 CG PHE A 42 72.250 0.322 2.892 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.374 -0.899 2.142 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.476 0.343 4.101 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.722 -2.092 2.602 1.00 0.00 C ATOM 638 CE2 PHE A 42 70.826 -0.851 4.559 1.00 0.00 C ATOM 639 CZ PHE A 42 70.949 -2.068 3.810 1.00 0.00 C ATOM 0 H PHE A 42 73.707 1.810 -0.084 1.00 0.00 H new ATOM 0 HA PHE A 42 71.100 2.191 1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 42 73.932 1.340 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.059 2.260 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 42 72.957 -0.918 1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.383 1.259 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 42 71.813 -3.009 2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.244 -0.834 5.468 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.459 -2.966 4.156 1.00 0.00 H new ATOM 649 N ARG A 43 71.480 4.625 1.709 1.00 0.00 N ATOM 650 CA ARG A 43 71.663 6.109 1.683 1.00 0.00 C ATOM 651 C ARG A 43 71.096 6.732 2.960 1.00 0.00 C ATOM 652 O ARG A 43 70.095 6.284 3.484 1.00 0.00 O ATOM 653 CB ARG A 43 70.876 6.583 0.463 1.00 0.00 C ATOM 654 CG ARG A 43 71.113 8.081 0.250 1.00 0.00 C ATOM 655 CD ARG A 43 70.353 8.547 -0.995 1.00 0.00 C ATOM 656 NE ARG A 43 68.906 8.497 -0.613 1.00 0.00 N ATOM 657 CZ ARG A 43 67.990 9.197 -1.262 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.297 9.975 -2.277 1.00 0.00 N ATOM 659 NH2 ARG A 43 66.743 9.112 -0.885 1.00 0.00 N ATOM 0 H ARG A 43 70.557 4.310 2.009 1.00 0.00 H new ATOM 0 HA ARG A 43 72.713 6.395 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.186 6.026 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.813 6.389 0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.779 8.641 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.179 8.278 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.650 9.556 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.558 7.899 -1.847 1.00 0.00 H new ATOM 0 HE ARG A 43 68.619 7.908 0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 43 69.266 10.052 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 43 67.566 10.501 -2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 43 66.487 8.512 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 43 66.025 9.645 -1.375 1.00 0.00 H new ATOM 673 N ASN A 44 71.732 7.761 3.468 1.00 0.00 N ATOM 674 CA ASN A 44 71.223 8.453 4.705 1.00 0.00 C ATOM 675 C ASN A 44 70.979 7.447 5.842 1.00 0.00 C ATOM 676 O ASN A 44 70.007 7.543 6.569 1.00 0.00 O ATOM 677 CB ASN A 44 69.907 9.123 4.291 1.00 0.00 C ATOM 678 CG ASN A 44 70.165 10.110 3.147 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.434 10.135 2.176 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.178 10.929 3.221 1.00 0.00 N ATOM 0 H ASN A 44 72.588 8.157 3.079 1.00 0.00 H new ATOM 0 HA ASN A 44 71.948 9.176 5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.187 8.368 3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.470 9.645 5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.356 11.590 2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.792 10.909 4.035 1.00 0.00 H new ATOM 687 N GLY A 45 71.857 6.486 5.993 1.00 0.00 N ATOM 688 CA GLY A 45 71.751 5.525 7.134 1.00 0.00 C ATOM 689 C GLY A 45 70.443 4.725 7.062 1.00 0.00 C ATOM 690 O GLY A 45 69.979 4.207 8.062 1.00 0.00 O ATOM 0 H GLY A 45 72.648 6.325 5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.600 4.842 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.797 6.069 8.077 1.00 0.00 H new ATOM 694 N VAL A 46 69.845 4.620 5.897 1.00 0.00 N ATOM 695 CA VAL A 46 68.637 3.749 5.743 1.00 0.00 C ATOM 696 C VAL A 46 68.667 3.051 4.365 1.00 0.00 C ATOM 697 O VAL A 46 69.233 3.581 3.430 1.00 0.00 O ATOM 698 CB VAL A 46 67.444 4.708 5.872 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.127 3.973 5.590 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.409 5.254 7.297 1.00 0.00 C ATOM 0 H VAL A 46 70.142 5.100 5.048 1.00 0.00 H new ATOM 0 HA VAL A 46 68.585 2.954 6.486 1.00 0.00 H new ATOM 0 HB VAL A 46 67.557 5.517 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.294 4.669 5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.146 3.568 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.004 3.159 6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.566 5.937 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.299 4.429 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.337 5.787 7.505 1.00 0.00 H new ATOM 710 N PRO A 47 68.060 1.880 4.272 1.00 0.00 N ATOM 711 CA PRO A 47 68.137 1.098 3.012 1.00 0.00 C ATOM 712 C PRO A 47 67.295 1.762 1.916 1.00 0.00 C ATOM 713 O PRO A 47 66.176 2.180 2.154 1.00 0.00 O ATOM 714 CB PRO A 47 67.561 -0.277 3.381 1.00 0.00 C ATOM 715 CG PRO A 47 67.362 -0.261 4.868 1.00 0.00 C ATOM 716 CD PRO A 47 67.261 1.177 5.286 1.00 0.00 C ATOM 0 HA PRO A 47 69.153 1.031 2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.618 -0.456 2.864 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.242 -1.076 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.458 -0.806 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.194 -0.751 5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.227 1.522 5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 47 67.657 1.333 6.290 1.00 0.00 H new ATOM 724 N LEU A 48 67.828 1.860 0.720 1.00 0.00 N ATOM 725 CA LEU A 48 67.032 2.412 -0.420 1.00 0.00 C ATOM 726 C LEU A 48 66.067 1.354 -0.957 1.00 0.00 C ATOM 727 O LEU A 48 66.343 0.170 -0.907 1.00 0.00 O ATOM 728 CB LEU A 48 68.062 2.786 -1.489 1.00 0.00 C ATOM 729 CG LEU A 48 68.969 3.901 -0.963 1.00 0.00 C ATOM 730 CD1 LEU A 48 70.081 4.180 -1.980 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.141 5.174 -0.747 1.00 0.00 C ATOM 0 H LEU A 48 68.781 1.581 0.486 1.00 0.00 H new ATOM 0 HA LEU A 48 66.430 3.269 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.659 1.913 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.556 3.114 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 48 69.413 3.591 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.726 4.974 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.670 3.276 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.639 4.489 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.786 5.969 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.696 5.483 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.351 4.976 -0.022 1.00 0.00 H new ATOM 743 N ARG A 49 64.935 1.777 -1.468 1.00 0.00 N ATOM 744 CA ARG A 49 63.989 0.811 -2.116 1.00 0.00 C ATOM 745 C ARG A 49 64.673 0.134 -3.307 1.00 0.00 C ATOM 746 O ARG A 49 65.566 0.693 -3.915 1.00 0.00 O ATOM 747 CB ARG A 49 62.801 1.655 -2.587 1.00 0.00 C ATOM 748 CG ARG A 49 62.093 2.262 -1.375 1.00 0.00 C ATOM 749 CD ARG A 49 60.841 3.012 -1.837 1.00 0.00 C ATOM 750 NE ARG A 49 60.350 3.731 -0.619 1.00 0.00 N ATOM 751 CZ ARG A 49 59.677 3.108 0.333 1.00 0.00 C ATOM 752 NH1 ARG A 49 59.402 1.822 0.266 1.00 0.00 N ATOM 753 NH2 ARG A 49 59.275 3.788 1.372 1.00 0.00 N ATOM 0 H ARG A 49 64.625 2.749 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 49 63.673 0.023 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 49 63.145 2.446 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 49 62.106 1.038 -3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.820 1.477 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 49 62.765 2.942 -0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 49 61.073 3.710 -2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 49 60.087 2.324 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 49 60.540 4.728 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 49 59.711 1.276 -0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 49 58.880 1.372 1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 49 59.481 4.785 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 49 58.754 3.323 2.116 1.00 0.00 H new ATOM 767 N LYS A 50 64.261 -1.068 -3.643 1.00 0.00 N ATOM 768 CA LYS A 50 64.914 -1.824 -4.769 1.00 0.00 C ATOM 769 C LYS A 50 66.420 -1.965 -4.513 1.00 0.00 C ATOM 770 O LYS A 50 67.238 -1.500 -5.282 1.00 0.00 O ATOM 771 CB LYS A 50 64.651 -1.014 -6.050 1.00 0.00 C ATOM 772 CG LYS A 50 63.143 -0.817 -6.241 1.00 0.00 C ATOM 773 CD LYS A 50 62.474 -2.173 -6.473 1.00 0.00 C ATOM 774 CE LYS A 50 61.000 -1.962 -6.826 1.00 0.00 C ATOM 775 NZ LYS A 50 60.615 -3.171 -7.605 1.00 0.00 N ATOM 0 H LYS A 50 63.496 -1.563 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 50 64.509 -2.832 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.148 -0.046 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.071 -1.533 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.715 -0.334 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 50 62.957 -0.158 -7.089 1.00 0.00 H new ATOM 0 HD2 LYS A 50 62.979 -2.706 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 50 62.560 -2.790 -5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 50 60.390 -1.859 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 50 60.860 -1.054 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 59.616 -3.101 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 61.208 -3.239 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 60.752 -4.019 -7.019 1.00 0.00 H new ATOM 789 N GLN A 51 66.783 -2.610 -3.428 1.00 0.00 N ATOM 790 CA GLN A 51 68.234 -2.759 -3.074 1.00 0.00 C ATOM 791 C GLN A 51 69.010 -3.420 -4.220 1.00 0.00 C ATOM 792 O GLN A 51 70.201 -3.218 -4.369 1.00 0.00 O ATOM 793 CB GLN A 51 68.260 -3.652 -1.831 1.00 0.00 C ATOM 794 CG GLN A 51 67.587 -2.923 -0.663 1.00 0.00 C ATOM 795 CD GLN A 51 67.564 -3.833 0.570 1.00 0.00 C ATOM 796 OE1 GLN A 51 67.660 -5.038 0.455 1.00 0.00 O ATOM 797 NE2 GLN A 51 67.439 -3.299 1.754 1.00 0.00 N ATOM 0 H GLN A 51 66.135 -3.042 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 51 68.703 -1.792 -2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.744 -4.590 -2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.289 -3.903 -1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 51 68.126 -2.003 -0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.571 -2.639 -0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.358 -2.287 1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 51 67.422 -3.894 2.582 1.00 0.00 H new ATOM 806 N ASN A 52 68.340 -4.208 -5.026 1.00 0.00 N ATOM 807 CA ASN A 52 69.032 -4.889 -6.168 1.00 0.00 C ATOM 808 C ASN A 52 69.394 -3.880 -7.271 1.00 0.00 C ATOM 809 O ASN A 52 70.194 -4.177 -8.141 1.00 0.00 O ATOM 810 CB ASN A 52 68.026 -5.915 -6.697 1.00 0.00 C ATOM 811 CG ASN A 52 67.693 -6.922 -5.595 1.00 0.00 C ATOM 812 OD1 ASN A 52 66.539 -7.212 -5.348 1.00 0.00 O ATOM 813 ND2 ASN A 52 68.663 -7.473 -4.918 1.00 0.00 N ATOM 0 H ASN A 52 67.344 -4.410 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 52 69.965 -5.354 -5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 52 67.118 -5.411 -7.030 1.00 0.00 H new ATOM 0 HB3 ASN A 52 68.440 -6.432 -7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 52 68.452 -8.147 -4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 52 69.632 -7.230 -5.125 1.00 0.00 H new ATOM 820 N ALA A 53 68.818 -2.695 -7.245 1.00 0.00 N ATOM 821 CA ALA A 53 69.157 -1.669 -8.283 1.00 0.00 C ATOM 822 C ALA A 53 70.554 -1.100 -8.018 1.00 0.00 C ATOM 823 O ALA A 53 70.942 -0.894 -6.883 1.00 0.00 O ATOM 824 CB ALA A 53 68.095 -0.578 -8.140 1.00 0.00 C ATOM 0 H ALA A 53 68.131 -2.398 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 53 69.166 -2.089 -9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.281 0.209 -8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.108 -1.007 -8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.138 -0.157 -7.135 1.00 0.00 H new ATOM 830 N GLU A 54 71.305 -0.846 -9.061 1.00 0.00 N ATOM 831 CA GLU A 54 72.702 -0.341 -8.884 1.00 0.00 C ATOM 832 C GLU A 54 72.722 1.195 -8.806 1.00 0.00 C ATOM 833 O GLU A 54 71.898 1.868 -9.397 1.00 0.00 O ATOM 834 CB GLU A 54 73.483 -0.856 -10.110 1.00 0.00 C ATOM 835 CG GLU A 54 72.994 -0.189 -11.407 1.00 0.00 C ATOM 836 CD GLU A 54 73.773 -0.757 -12.596 1.00 0.00 C ATOM 837 OE1 GLU A 54 73.844 -1.970 -12.707 1.00 0.00 O ATOM 838 OE2 GLU A 54 74.285 0.031 -13.374 1.00 0.00 O ATOM 0 H GLU A 54 71.010 -0.967 -10.030 1.00 0.00 H new ATOM 0 HA GLU A 54 73.149 -0.694 -7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.546 -0.658 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 54 73.368 -1.937 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.927 -0.366 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.134 0.890 -11.349 1.00 0.00 H new ATOM 845 N VAL A 55 73.664 1.742 -8.078 1.00 0.00 N ATOM 846 CA VAL A 55 73.832 3.229 -8.041 1.00 0.00 C ATOM 847 C VAL A 55 75.009 3.621 -8.934 1.00 0.00 C ATOM 848 O VAL A 55 76.104 3.115 -8.769 1.00 0.00 O ATOM 849 CB VAL A 55 74.147 3.566 -6.576 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.339 5.078 -6.412 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.993 3.111 -5.679 1.00 0.00 C ATOM 0 H VAL A 55 74.327 1.220 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 55 72.948 3.759 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 55 75.063 3.050 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.562 5.306 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.165 5.410 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.427 5.595 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.222 3.353 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.077 3.622 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.857 2.034 -5.779 1.00 0.00 H new ATOM 861 N VAL A 56 74.792 4.510 -9.872 1.00 0.00 N ATOM 862 CA VAL A 56 75.919 4.968 -10.742 1.00 0.00 C ATOM 863 C VAL A 56 76.052 6.485 -10.651 1.00 0.00 C ATOM 864 O VAL A 56 75.183 7.221 -11.083 1.00 0.00 O ATOM 865 CB VAL A 56 75.572 4.541 -12.171 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.766 4.854 -13.071 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.291 3.034 -12.223 1.00 0.00 C ATOM 0 H VAL A 56 73.887 4.937 -10.072 1.00 0.00 H new ATOM 0 HA VAL A 56 76.869 4.533 -10.432 1.00 0.00 H new ATOM 0 HB VAL A 56 74.684 5.078 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.538 4.557 -14.095 1.00 0.00 H new ATOM 0 HG12 VAL A 56 76.973 5.924 -13.042 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.640 4.305 -12.720 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.046 2.745 -13.245 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.175 2.488 -11.893 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.453 2.797 -11.568 1.00 0.00 H new ATOM 877 N LEU A 57 77.134 6.951 -10.093 1.00 0.00 N ATOM 878 CA LEU A 57 77.286 8.412 -9.835 1.00 0.00 C ATOM 879 C LEU A 57 78.615 8.920 -10.399 1.00 0.00 C ATOM 880 O LEU A 57 79.652 8.309 -10.214 1.00 0.00 O ATOM 881 CB LEU A 57 77.213 8.521 -8.314 1.00 0.00 C ATOM 882 CG LEU A 57 75.737 8.563 -7.902 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.562 7.938 -6.522 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.270 10.021 -7.842 1.00 0.00 C ATOM 0 H LEU A 57 77.926 6.379 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 57 76.524 9.023 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.713 7.671 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.728 9.419 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 57 75.149 8.007 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.510 7.972 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.897 6.901 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.153 8.493 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.221 10.055 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.868 10.565 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.388 10.482 -8.823 1.00 0.00 H new ATOM 896 N LYS A 58 78.584 10.034 -11.090 1.00 0.00 N ATOM 897 CA LYS A 58 79.827 10.563 -11.736 1.00 0.00 C ATOM 898 C LYS A 58 80.767 11.155 -10.681 1.00 0.00 C ATOM 899 O LYS A 58 80.340 11.839 -9.771 1.00 0.00 O ATOM 900 CB LYS A 58 79.344 11.651 -12.701 1.00 0.00 C ATOM 901 CG LYS A 58 80.489 12.060 -13.629 1.00 0.00 C ATOM 902 CD LYS A 58 79.997 13.132 -14.604 1.00 0.00 C ATOM 903 CE LYS A 58 81.111 13.468 -15.598 1.00 0.00 C ATOM 904 NZ LYS A 58 80.475 14.373 -16.595 1.00 0.00 N ATOM 0 H LYS A 58 77.749 10.601 -11.235 1.00 0.00 H new ATOM 0 HA LYS A 58 80.386 9.782 -12.251 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.501 11.284 -13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 58 78.990 12.516 -12.141 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.326 12.441 -13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.853 11.192 -14.179 1.00 0.00 H new ATOM 0 HD2 LYS A 58 79.115 12.777 -15.137 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.701 14.027 -14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 58 81.950 13.955 -15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 58 81.501 12.568 -16.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 81.177 14.648 -17.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.684 13.880 -17.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.119 15.224 -16.114 1.00 0.00 H new ATOM 918 N CYS A 59 82.047 10.893 -10.802 1.00 0.00 N ATOM 919 CA CYS A 59 83.036 11.407 -9.794 1.00 0.00 C ATOM 920 C CYS A 59 82.912 12.929 -9.616 1.00 0.00 C ATOM 921 O CYS A 59 83.144 13.455 -8.542 1.00 0.00 O ATOM 922 CB CYS A 59 84.423 11.040 -10.352 1.00 0.00 C ATOM 923 SG CYS A 59 84.671 11.788 -11.988 1.00 0.00 S ATOM 0 H CYS A 59 82.453 10.343 -11.559 1.00 0.00 H new ATOM 0 HA CYS A 59 82.862 10.968 -8.811 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.199 11.383 -9.668 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.517 9.956 -10.423 1.00 0.00 H new ATOM 0 HG CYS A 59 85.848 11.467 -12.438 1.00 0.00 H new ATOM 929 N THR A 60 82.547 13.631 -10.662 1.00 0.00 N ATOM 930 CA THR A 60 82.417 15.121 -10.567 1.00 0.00 C ATOM 931 C THR A 60 81.296 15.496 -9.593 1.00 0.00 C ATOM 932 O THR A 60 81.305 16.565 -9.011 1.00 0.00 O ATOM 933 CB THR A 60 82.074 15.597 -11.983 1.00 0.00 C ATOM 934 OG1 THR A 60 80.842 15.019 -12.389 1.00 0.00 O ATOM 935 CG2 THR A 60 83.182 15.182 -12.954 1.00 0.00 C ATOM 0 H THR A 60 82.333 13.237 -11.578 1.00 0.00 H new ATOM 0 HA THR A 60 83.332 15.583 -10.197 1.00 0.00 H new ATOM 0 HB THR A 60 81.986 16.683 -11.987 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.313 15.685 -12.876 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.932 15.523 -13.959 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.125 15.630 -12.643 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.279 14.096 -12.953 1.00 0.00 H new ATOM 943 N ASP A 61 80.332 14.623 -9.414 1.00 0.00 N ATOM 944 CA ASP A 61 79.234 14.896 -8.437 1.00 0.00 C ATOM 945 C ASP A 61 79.637 14.404 -7.042 1.00 0.00 C ATOM 946 O ASP A 61 79.146 14.893 -6.040 1.00 0.00 O ATOM 947 CB ASP A 61 78.026 14.117 -8.961 1.00 0.00 C ATOM 948 CG ASP A 61 77.616 14.655 -10.337 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.824 15.834 -10.583 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.099 13.879 -11.123 1.00 0.00 O ATOM 0 H ASP A 61 80.260 13.732 -9.905 1.00 0.00 H new ATOM 0 HA ASP A 61 79.016 15.960 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.269 13.057 -9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.194 14.207 -8.263 1.00 0.00 H new ATOM 955 N ILE A 62 80.524 13.441 -6.973 1.00 0.00 N ATOM 956 CA ILE A 62 81.035 12.971 -5.649 1.00 0.00 C ATOM 957 C ILE A 62 82.136 13.916 -5.155 1.00 0.00 C ATOM 958 O ILE A 62 82.912 14.435 -5.937 1.00 0.00 O ATOM 959 CB ILE A 62 81.603 11.568 -5.908 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.495 10.655 -6.446 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.147 10.981 -4.602 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.099 9.317 -6.877 1.00 0.00 C ATOM 0 H ILE A 62 80.917 12.959 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 62 80.257 12.953 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 62 82.408 11.639 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.738 10.494 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 62 79.996 11.130 -7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.549 9.985 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 62 82.937 11.624 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.342 10.915 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.311 8.668 -7.259 1.00 0.00 H new ATOM 0 HD12 ILE A 62 81.840 9.487 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.577 8.841 -6.021 1.00 0.00 H new ATOM 974 N ARG A 63 82.203 14.142 -3.865 1.00 0.00 N ATOM 975 CA ARG A 63 83.228 15.077 -3.313 1.00 0.00 C ATOM 976 C ARG A 63 84.410 14.291 -2.739 1.00 0.00 C ATOM 977 O ARG A 63 85.541 14.741 -2.793 1.00 0.00 O ATOM 978 CB ARG A 63 82.509 15.855 -2.211 1.00 0.00 C ATOM 979 CG ARG A 63 83.445 16.925 -1.646 1.00 0.00 C ATOM 980 CD ARG A 63 83.619 18.046 -2.675 1.00 0.00 C ATOM 981 NE ARG A 63 84.608 18.989 -2.062 1.00 0.00 N ATOM 982 CZ ARG A 63 85.312 19.834 -2.797 1.00 0.00 C ATOM 983 NH1 ARG A 63 85.181 19.898 -4.104 1.00 0.00 N ATOM 984 NH2 ARG A 63 86.161 20.630 -2.207 1.00 0.00 N ATOM 0 H ARG A 63 81.589 13.717 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 63 83.633 15.741 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.607 16.320 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.195 15.176 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 63 83.037 17.328 -0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.413 16.486 -1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.983 17.656 -3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.672 18.545 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 63 84.742 18.979 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.521 19.284 -4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.740 20.561 -4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.274 20.595 -1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.712 21.288 -2.759 1.00 0.00 H new ATOM 998 N SER A 64 84.159 13.122 -2.190 1.00 0.00 N ATOM 999 CA SER A 64 85.287 12.281 -1.672 1.00 0.00 C ATOM 1000 C SER A 64 84.836 10.833 -1.448 1.00 0.00 C ATOM 1001 O SER A 64 83.826 10.579 -0.820 1.00 0.00 O ATOM 1002 CB SER A 64 85.686 12.928 -0.347 1.00 0.00 C ATOM 1003 OG SER A 64 86.829 12.264 0.174 1.00 0.00 O ATOM 0 H SER A 64 83.229 12.718 -2.079 1.00 0.00 H new ATOM 0 HA SER A 64 86.117 12.239 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.902 13.986 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.861 12.868 0.363 1.00 0.00 H new ATOM 0 HG SER A 64 87.089 12.678 1.023 1.00 0.00 H new ATOM 1009 N ILE A 65 85.583 9.887 -1.964 1.00 0.00 N ATOM 1010 CA ILE A 65 85.297 8.447 -1.672 1.00 0.00 C ATOM 1011 C ILE A 65 86.262 7.925 -0.601 1.00 0.00 C ATOM 1012 O ILE A 65 87.405 8.337 -0.533 1.00 0.00 O ATOM 1013 CB ILE A 65 85.538 7.700 -2.993 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.654 8.293 -4.101 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.196 6.212 -2.806 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.998 7.633 -5.439 1.00 0.00 C ATOM 0 H ILE A 65 86.381 10.051 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 65 84.281 8.306 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 65 86.585 7.804 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.602 8.134 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.807 9.370 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.366 5.679 -3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.830 5.788 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.150 6.113 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.370 8.054 -6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 65 86.046 7.815 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.822 6.559 -5.371 1.00 0.00 H new ATOM 1028 N ASP A 66 85.806 7.023 0.235 1.00 0.00 N ATOM 1029 CA ASP A 66 86.717 6.389 1.238 1.00 0.00 C ATOM 1030 C ASP A 66 86.550 4.864 1.218 1.00 0.00 C ATOM 1031 O ASP A 66 85.457 4.358 1.385 1.00 0.00 O ATOM 1032 CB ASP A 66 86.287 6.973 2.590 1.00 0.00 C ATOM 1033 CG ASP A 66 84.823 6.627 2.880 1.00 0.00 C ATOM 1034 OD1 ASP A 66 83.958 7.306 2.353 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.595 5.690 3.627 1.00 0.00 O ATOM 0 H ASP A 66 84.840 6.698 0.265 1.00 0.00 H new ATOM 0 HA ASP A 66 87.768 6.589 1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.924 6.580 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.417 8.055 2.584 1.00 0.00 H new ATOM 1040 N LEU A 67 87.623 4.136 1.016 1.00 0.00 N ATOM 1041 CA LEU A 67 87.538 2.641 1.064 1.00 0.00 C ATOM 1042 C LEU A 67 87.444 2.173 2.519 1.00 0.00 C ATOM 1043 O LEU A 67 88.374 2.330 3.289 1.00 0.00 O ATOM 1044 CB LEU A 67 88.841 2.147 0.428 1.00 0.00 C ATOM 1045 CG LEU A 67 88.667 2.024 -1.094 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.929 2.528 -1.800 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.439 0.556 -1.472 1.00 0.00 C ATOM 0 H LEU A 67 88.551 4.511 0.821 1.00 0.00 H new ATOM 0 HA LEU A 67 86.661 2.258 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.652 2.839 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 67 89.119 1.181 0.850 1.00 0.00 H new ATOM 0 HG LEU A 67 87.809 2.621 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.802 2.439 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.099 3.573 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.785 1.931 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.316 0.473 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.297 -0.038 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.541 0.188 -0.975 1.00 0.00 H new ATOM 1059 N ILE A 68 86.327 1.601 2.897 1.00 0.00 N ATOM 1060 CA ILE A 68 86.155 1.127 4.305 1.00 0.00 C ATOM 1061 C ILE A 68 86.860 -0.220 4.495 1.00 0.00 C ATOM 1062 O ILE A 68 87.606 -0.414 5.438 1.00 0.00 O ATOM 1063 CB ILE A 68 84.639 0.979 4.502 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.951 2.326 4.253 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.342 0.523 5.936 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.432 2.139 4.284 1.00 0.00 C ATOM 0 H ILE A 68 85.524 1.442 2.288 1.00 0.00 H new ATOM 0 HA ILE A 68 86.587 1.818 5.028 1.00 0.00 H new ATOM 0 HB ILE A 68 84.262 0.238 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 68 84.255 3.047 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.258 2.730 3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 68 83.265 0.420 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.824 -0.437 6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.726 1.262 6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.944 3.097 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 68 82.137 1.432 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 68 82.133 1.754 5.259 1.00 0.00 H new ATOM 1078 N GLU A 69 86.624 -1.148 3.601 1.00 0.00 N ATOM 1079 CA GLU A 69 87.209 -2.515 3.750 1.00 0.00 C ATOM 1080 C GLU A 69 87.745 -3.015 2.397 1.00 0.00 C ATOM 1081 O GLU A 69 86.969 -3.430 1.557 1.00 0.00 O ATOM 1082 CB GLU A 69 86.051 -3.392 4.223 1.00 0.00 C ATOM 1083 CG GLU A 69 85.887 -3.249 5.737 1.00 0.00 C ATOM 1084 CD GLU A 69 84.414 -3.433 6.112 1.00 0.00 C ATOM 1085 OE1 GLU A 69 83.625 -2.567 5.772 1.00 0.00 O ATOM 1086 OE2 GLU A 69 84.102 -4.436 6.730 1.00 0.00 O ATOM 0 H GLU A 69 86.048 -1.016 2.770 1.00 0.00 H new ATOM 0 HA GLU A 69 88.045 -2.531 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.130 -3.100 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.241 -4.434 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.499 -3.990 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 69 86.235 -2.268 6.060 1.00 0.00 H new