USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 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 17 SER OG : rot -79:sc= 1.68 USER MOD Set 1.2: A 20 THR OG1 : rot -64:sc= 2.2 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 73:sc= -0.0634 USER MOD Single : A 15 SER OG : rot 28:sc= 0.45 USER MOD Single : A 19 ASN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 30 SER OG : rot 79:sc= 1.24 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -17:sc= 0.323 USER MOD Single : A 56 SER OG : rot 119:sc= 2.05 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 70 MET CE :methyl 177:sc= 0 (180deg=-0.0359) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 1.32 (180deg=1.28) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.422 0.047 -10.919 1.00 0.00 N ATOM 101 CA TYR A 9 7.642 -0.286 -9.508 1.00 0.00 C ATOM 102 C TYR A 9 6.490 0.261 -8.621 1.00 0.00 C ATOM 103 O TYR A 9 6.604 1.324 -7.997 1.00 0.00 O ATOM 104 CB TYR A 9 9.042 0.210 -9.103 1.00 0.00 C ATOM 105 CG TYR A 9 10.224 -0.198 -9.977 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.234 -1.397 -10.725 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.335 0.666 -10.049 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.318 -1.699 -11.574 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.417 0.370 -10.898 1.00 0.00 C ATOM 110 CZ TYR A 9 12.404 -0.805 -11.679 1.00 0.00 C ATOM 111 OH TYR A 9 13.433 -1.067 -12.530 1.00 0.00 O ATOM 0 HA TYR A 9 7.621 -1.365 -9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.013 1.299 -9.066 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.240 -0.138 -8.089 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.406 -2.086 -10.646 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.356 1.563 -9.447 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.317 -2.616 -12.145 1.00 0.00 H new ATOM 0 HE2 TYR A 9 13.259 1.044 -10.952 1.00 0.00 H new ATOM 0 HH TYR A 9 14.094 -0.346 -12.476 1.00 0.00 H new ATOM 121 N ARG A 10 5.358 -0.465 -8.604 1.00 0.00 N ATOM 122 CA ARG A 10 4.133 -0.202 -7.810 1.00 0.00 C ATOM 123 C ARG A 10 3.458 -1.508 -7.346 1.00 0.00 C ATOM 124 O ARG A 10 3.448 -2.500 -8.079 1.00 0.00 O ATOM 125 CB ARG A 10 3.185 0.680 -8.653 1.00 0.00 C ATOM 126 CG ARG A 10 1.852 1.045 -7.973 1.00 0.00 C ATOM 127 CD ARG A 10 1.026 2.020 -8.828 1.00 0.00 C ATOM 128 NE ARG A 10 1.474 3.416 -8.674 1.00 0.00 N ATOM 129 CZ ARG A 10 1.453 4.386 -9.571 1.00 0.00 C ATOM 130 NH1 ARG A 10 1.208 4.177 -10.829 1.00 0.00 N ATOM 131 NH2 ARG A 10 1.685 5.623 -9.236 1.00 0.00 N ATOM 0 H ARG A 10 5.263 -1.303 -9.177 1.00 0.00 H new ATOM 0 HA ARG A 10 4.397 0.330 -6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.706 1.601 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.968 0.163 -9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.274 0.138 -7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.051 1.493 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.098 1.731 -9.877 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.025 1.945 -8.548 1.00 0.00 H new ATOM 0 HE ARG A 10 1.848 3.665 -7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.021 3.231 -11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.203 4.959 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.888 5.859 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.664 6.356 -9.945 1.00 0.00 H new ATOM 145 N CYS A 11 2.858 -1.517 -6.153 1.00 0.00 N ATOM 146 CA CYS A 11 2.152 -2.678 -5.582 1.00 0.00 C ATOM 147 C CYS A 11 0.839 -2.308 -4.859 1.00 0.00 C ATOM 148 O CYS A 11 0.616 -1.157 -4.489 1.00 0.00 O ATOM 149 CB CYS A 11 3.118 -3.497 -4.706 1.00 0.00 C ATOM 150 SG CYS A 11 3.165 -2.908 -2.987 1.00 0.00 S ATOM 0 H CYS A 11 2.846 -0.702 -5.540 1.00 0.00 H new ATOM 0 HA CYS A 11 1.826 -3.309 -6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.817 -4.545 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.120 -3.448 -5.131 1.00 0.00 H new ATOM 0 HG CYS A 11 2.065 -3.247 -2.382 1.00 0.00 H new ATOM 156 N PHE A 12 -0.046 -3.287 -4.692 1.00 0.00 N ATOM 157 CA PHE A 12 -1.259 -3.228 -3.867 1.00 0.00 C ATOM 158 C PHE A 12 -0.946 -3.426 -2.372 1.00 0.00 C ATOM 159 O PHE A 12 -0.008 -4.151 -2.027 1.00 0.00 O ATOM 160 CB PHE A 12 -2.202 -4.325 -4.381 1.00 0.00 C ATOM 161 CG PHE A 12 -3.456 -4.588 -3.567 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.640 -3.875 -3.833 1.00 0.00 C ATOM 163 CD2 PHE A 12 -3.455 -5.593 -2.579 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.818 -4.180 -3.129 1.00 0.00 C ATOM 165 CE2 PHE A 12 -4.630 -5.887 -1.866 1.00 0.00 C ATOM 166 CZ PHE A 12 -5.813 -5.182 -2.143 1.00 0.00 C ATOM 0 H PHE A 12 0.065 -4.191 -5.150 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.721 -2.244 -3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.504 -4.065 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.638 -5.255 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.644 -3.093 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.548 -6.140 -2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.729 -3.643 -3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.623 -6.654 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.718 -5.410 -1.599 1.00 0.00 H new ATOM 176 N VAL A 13 -1.766 -2.828 -1.497 1.00 0.00 N ATOM 177 CA VAL A 13 -1.775 -3.048 -0.040 1.00 0.00 C ATOM 178 C VAL A 13 -3.213 -3.138 0.490 1.00 0.00 C ATOM 179 O VAL A 13 -3.970 -2.162 0.455 1.00 0.00 O ATOM 180 CB VAL A 13 -0.977 -1.973 0.738 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.521 -2.289 0.729 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.164 -0.531 0.240 1.00 0.00 C ATOM 0 H VAL A 13 -2.469 -2.151 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.272 -4.000 0.131 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.390 -2.018 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.059 -1.519 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.691 -3.258 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.881 -2.315 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.564 0.145 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.846 -0.461 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.215 -0.253 0.317 1.00 0.00 H new ATOM 192 N GLY A 14 -3.588 -4.306 1.018 1.00 0.00 N ATOM 193 CA GLY A 14 -4.864 -4.527 1.713 1.00 0.00 C ATOM 194 C GLY A 14 -4.723 -4.344 3.228 1.00 0.00 C ATOM 195 O GLY A 14 -3.877 -4.995 3.842 1.00 0.00 O ATOM 0 H GLY A 14 -3.004 -5.141 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.612 -3.832 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.225 -5.533 1.500 1.00 0.00 H new ATOM 199 N SER A 15 -5.516 -3.441 3.827 1.00 0.00 N ATOM 200 CA SER A 15 -5.590 -3.192 5.290 1.00 0.00 C ATOM 201 C SER A 15 -6.513 -2.042 5.694 1.00 0.00 C ATOM 202 O SER A 15 -6.947 -1.985 6.841 1.00 0.00 O ATOM 203 CB SER A 15 -4.222 -2.769 5.856 1.00 0.00 C ATOM 204 OG SER A 15 -3.581 -3.911 6.352 1.00 0.00 O ATOM 0 H SER A 15 -6.147 -2.841 3.296 1.00 0.00 H new ATOM 0 HA SER A 15 -5.959 -4.141 5.679 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.617 -2.301 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.350 -2.031 6.648 1.00 0.00 H new ATOM 0 HG SER A 15 -3.891 -4.700 5.860 1.00 0.00 H new ATOM 210 N LEU A 16 -6.711 -1.057 4.811 1.00 0.00 N ATOM 211 CA LEU A 16 -7.134 0.282 5.222 1.00 0.00 C ATOM 212 C LEU A 16 -8.568 0.330 5.762 1.00 0.00 C ATOM 213 O LEU A 16 -9.359 -0.601 5.613 1.00 0.00 O ATOM 214 CB LEU A 16 -6.907 1.322 4.108 1.00 0.00 C ATOM 215 CG LEU A 16 -5.526 1.326 3.433 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.398 2.629 2.656 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.337 1.258 4.384 1.00 0.00 C ATOM 0 H LEU A 16 -6.584 -1.165 3.805 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.492 0.551 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.661 1.164 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.083 2.313 4.527 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.488 0.427 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.426 2.665 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.187 2.685 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.488 3.472 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.411 1.266 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.357 2.118 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.392 0.341 4.970 1.00 0.00 H new ATOM 229 N SER A 17 -8.883 1.447 6.407 1.00 0.00 N ATOM 230 CA SER A 17 -10.077 1.629 7.233 1.00 0.00 C ATOM 231 C SER A 17 -10.518 3.096 7.245 1.00 0.00 C ATOM 232 O SER A 17 -9.830 3.969 6.708 1.00 0.00 O ATOM 233 CB SER A 17 -9.768 1.160 8.665 1.00 0.00 C ATOM 234 OG SER A 17 -8.782 1.988 9.253 1.00 0.00 O ATOM 0 H SER A 17 -8.296 2.281 6.370 1.00 0.00 H new ATOM 0 HA SER A 17 -10.892 1.038 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.677 1.183 9.266 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.422 0.126 8.649 1.00 0.00 H new ATOM 0 HG SER A 17 -7.897 1.727 8.924 1.00 0.00 H new ATOM 240 N TRP A 18 -11.626 3.397 7.921 1.00 0.00 N ATOM 241 CA TRP A 18 -11.959 4.768 8.341 1.00 0.00 C ATOM 242 C TRP A 18 -10.821 5.523 9.078 1.00 0.00 C ATOM 243 O TRP A 18 -10.845 6.756 9.088 1.00 0.00 O ATOM 244 CB TRP A 18 -13.240 4.722 9.192 1.00 0.00 C ATOM 245 CG TRP A 18 -13.255 3.773 10.357 1.00 0.00 C ATOM 246 CD1 TRP A 18 -12.484 3.857 11.466 1.00 0.00 C ATOM 247 CD2 TRP A 18 -14.124 2.614 10.570 1.00 0.00 C ATOM 248 NE1 TRP A 18 -12.768 2.802 12.312 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.777 2.010 11.816 1.00 0.00 C ATOM 250 CE3 TRP A 18 -15.196 2.031 9.859 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -14.439 0.879 12.317 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -15.872 0.897 10.354 1.00 0.00 C ATOM 253 CH2 TRP A 18 -15.491 0.314 11.575 1.00 0.00 C ATOM 0 H TRP A 18 -12.321 2.702 8.195 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.114 5.349 7.432 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.430 5.726 9.571 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -14.072 4.466 8.537 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.757 4.631 11.660 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.288 2.632 13.196 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -15.504 2.462 8.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.144 0.447 13.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -16.690 0.473 9.790 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -16.004 -0.563 11.941 1.00 0.00 H new ATOM 264 N ASN A 19 -9.822 4.828 9.652 1.00 0.00 N ATOM 265 CA ASN A 19 -8.673 5.398 10.383 1.00 0.00 C ATOM 266 C ASN A 19 -7.351 5.412 9.577 1.00 0.00 C ATOM 267 O ASN A 19 -6.548 6.337 9.722 1.00 0.00 O ATOM 268 CB ASN A 19 -8.521 4.581 11.684 1.00 0.00 C ATOM 269 CG ASN A 19 -7.399 5.065 12.588 1.00 0.00 C ATOM 270 OD1 ASN A 19 -7.593 5.923 13.437 1.00 0.00 O ATOM 271 ND2 ASN A 19 -6.199 4.539 12.468 1.00 0.00 N ATOM 0 H ASN A 19 -9.791 3.809 9.618 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.875 6.450 10.584 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.460 4.617 12.236 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.342 3.537 11.427 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.443 4.848 13.079 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.024 3.822 11.764 1.00 0.00 H new ATOM 278 N THR A 20 -7.104 4.388 8.754 1.00 0.00 N ATOM 279 CA THR A 20 -5.835 4.202 8.016 1.00 0.00 C ATOM 280 C THR A 20 -5.865 4.909 6.664 1.00 0.00 C ATOM 281 O THR A 20 -6.910 4.978 6.014 1.00 0.00 O ATOM 282 CB THR A 20 -5.474 2.725 7.769 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.077 1.856 8.706 1.00 0.00 O ATOM 284 CG2 THR A 20 -3.965 2.482 7.824 1.00 0.00 C ATOM 0 H THR A 20 -7.785 3.650 8.574 1.00 0.00 H new ATOM 0 HA THR A 20 -5.075 4.639 8.663 1.00 0.00 H new ATOM 0 HB THR A 20 -5.853 2.510 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.726 2.046 9.601 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.760 1.427 7.644 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.472 3.083 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.587 2.763 8.807 1.00 0.00 H new ATOM 292 N ASP A 21 -4.723 5.408 6.205 1.00 0.00 N ATOM 293 CA ASP A 21 -4.628 6.249 5.015 1.00 0.00 C ATOM 294 C ASP A 21 -3.297 6.091 4.250 1.00 0.00 C ATOM 295 O ASP A 21 -2.465 5.249 4.591 1.00 0.00 O ATOM 296 CB ASP A 21 -4.897 7.705 5.436 1.00 0.00 C ATOM 297 CG ASP A 21 -3.652 8.465 5.911 1.00 0.00 C ATOM 298 OD1 ASP A 21 -2.919 7.957 6.792 1.00 0.00 O ATOM 299 OD2 ASP A 21 -3.403 9.569 5.361 1.00 0.00 O ATOM 0 H ASP A 21 -3.823 5.238 6.655 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.382 5.925 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.335 8.240 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.638 7.709 6.236 1.00 0.00 H new ATOM 304 N ASP A 22 -3.081 6.908 3.209 1.00 0.00 N ATOM 305 CA ASP A 22 -1.838 6.861 2.428 1.00 0.00 C ATOM 306 C ASP A 22 -0.589 7.194 3.267 1.00 0.00 C ATOM 307 O ASP A 22 0.452 6.574 3.061 1.00 0.00 O ATOM 308 CB ASP A 22 -1.936 7.753 1.173 1.00 0.00 C ATOM 309 CG ASP A 22 -1.845 9.254 1.453 1.00 0.00 C ATOM 310 OD1 ASP A 22 -2.849 9.853 1.913 1.00 0.00 O ATOM 311 OD2 ASP A 22 -0.770 9.850 1.207 1.00 0.00 O ATOM 0 H ASP A 22 -3.750 7.608 2.889 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.714 5.829 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.139 7.476 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.880 7.547 0.669 1.00 0.00 H new ATOM 316 N ARG A 23 -0.689 8.109 4.244 1.00 0.00 N ATOM 317 CA ARG A 23 0.443 8.573 5.070 1.00 0.00 C ATOM 318 C ARG A 23 1.078 7.452 5.891 1.00 0.00 C ATOM 319 O ARG A 23 2.307 7.355 5.904 1.00 0.00 O ATOM 320 CB ARG A 23 -0.042 9.722 5.970 1.00 0.00 C ATOM 321 CG ARG A 23 0.971 10.210 7.015 1.00 0.00 C ATOM 322 CD ARG A 23 0.327 11.310 7.864 1.00 0.00 C ATOM 323 NE ARG A 23 1.178 11.692 9.002 1.00 0.00 N ATOM 324 CZ ARG A 23 1.091 12.813 9.692 1.00 0.00 C ATOM 325 NH1 ARG A 23 0.174 13.704 9.459 1.00 0.00 N ATOM 326 NH2 ARG A 23 1.915 13.071 10.658 1.00 0.00 N ATOM 0 H ARG A 23 -1.573 8.556 4.488 1.00 0.00 H new ATOM 0 HA ARG A 23 1.230 8.929 4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.320 10.565 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.946 9.400 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.285 9.381 7.649 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.865 10.591 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.138 12.185 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.639 10.966 8.232 1.00 0.00 H new ATOM 0 HE ARG A 23 1.901 11.030 9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.512 13.549 8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.140 14.558 10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.647 12.402 10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.832 13.943 11.180 1.00 0.00 H new ATOM 340 N GLY A 24 0.274 6.629 6.566 1.00 0.00 N ATOM 341 CA GLY A 24 0.773 5.575 7.459 1.00 0.00 C ATOM 342 C GLY A 24 1.472 4.438 6.712 1.00 0.00 C ATOM 343 O GLY A 24 2.541 3.988 7.132 1.00 0.00 O ATOM 0 H GLY A 24 -0.744 6.672 6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.468 6.013 8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.060 5.168 8.032 1.00 0.00 H new ATOM 347 N LEU A 25 0.914 4.024 5.568 1.00 0.00 N ATOM 348 CA LEU A 25 1.533 3.034 4.676 1.00 0.00 C ATOM 349 C LEU A 25 2.789 3.583 3.981 1.00 0.00 C ATOM 350 O LEU A 25 3.805 2.895 3.934 1.00 0.00 O ATOM 351 CB LEU A 25 0.492 2.539 3.651 1.00 0.00 C ATOM 352 CG LEU A 25 -0.329 1.306 4.079 1.00 0.00 C ATOM 353 CD1 LEU A 25 0.529 0.041 4.138 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.030 1.479 5.428 1.00 0.00 C ATOM 0 H LEU A 25 0.014 4.368 5.232 1.00 0.00 H new ATOM 0 HA LEU A 25 1.864 2.190 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.197 3.356 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.008 2.304 2.720 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.092 1.203 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.089 -0.804 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.953 -0.157 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.335 0.181 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.589 0.574 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.286 1.661 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.715 2.325 5.376 1.00 0.00 H new ATOM 366 N GLU A 26 2.760 4.829 3.503 1.00 0.00 N ATOM 367 CA GLU A 26 3.919 5.530 2.932 1.00 0.00 C ATOM 368 C GLU A 26 5.090 5.602 3.931 1.00 0.00 C ATOM 369 O GLU A 26 6.236 5.328 3.565 1.00 0.00 O ATOM 370 CB GLU A 26 3.425 6.922 2.499 1.00 0.00 C ATOM 371 CG GLU A 26 4.447 7.904 1.925 1.00 0.00 C ATOM 372 CD GLU A 26 3.744 9.240 1.636 1.00 0.00 C ATOM 373 OE1 GLU A 26 3.261 9.896 2.594 1.00 0.00 O ATOM 374 OE2 GLU A 26 3.636 9.649 0.453 1.00 0.00 O ATOM 0 H GLU A 26 1.911 5.395 3.501 1.00 0.00 H new ATOM 0 HA GLU A 26 4.317 4.990 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.643 6.781 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.959 7.394 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.265 8.053 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.884 7.502 1.011 1.00 0.00 H new ATOM 381 N ALA A 27 4.810 5.878 5.210 1.00 0.00 N ATOM 382 CA ALA A 27 5.818 5.921 6.272 1.00 0.00 C ATOM 383 C ALA A 27 6.400 4.535 6.615 1.00 0.00 C ATOM 384 O ALA A 27 7.613 4.412 6.804 1.00 0.00 O ATOM 385 CB ALA A 27 5.188 6.588 7.500 1.00 0.00 C ATOM 0 H ALA A 27 3.866 6.080 5.539 1.00 0.00 H new ATOM 0 HA ALA A 27 6.670 6.503 5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.920 6.632 8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.871 7.599 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.324 6.009 7.826 1.00 0.00 H new ATOM 391 N ALA A 28 5.572 3.485 6.638 1.00 0.00 N ATOM 392 CA ALA A 28 6.028 2.111 6.865 1.00 0.00 C ATOM 393 C ALA A 28 6.822 1.545 5.673 1.00 0.00 C ATOM 394 O ALA A 28 7.793 0.808 5.860 1.00 0.00 O ATOM 395 CB ALA A 28 4.808 1.238 7.178 1.00 0.00 C ATOM 0 H ALA A 28 4.565 3.565 6.499 1.00 0.00 H new ATOM 0 HA ALA A 28 6.717 2.110 7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.130 0.211 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.309 1.616 8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.116 1.265 6.337 1.00 0.00 H new ATOM 401 N PHE A 29 6.456 1.904 4.439 1.00 0.00 N ATOM 402 CA PHE A 29 7.190 1.495 3.239 1.00 0.00 C ATOM 403 C PHE A 29 8.532 2.242 3.119 1.00 0.00 C ATOM 404 O PHE A 29 9.536 1.647 2.721 1.00 0.00 O ATOM 405 CB PHE A 29 6.283 1.656 2.008 1.00 0.00 C ATOM 406 CG PHE A 29 6.579 0.692 0.868 1.00 0.00 C ATOM 407 CD1 PHE A 29 7.795 0.752 0.158 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.628 -0.292 0.526 1.00 0.00 C ATOM 409 CE1 PHE A 29 8.064 -0.174 -0.865 1.00 0.00 C ATOM 410 CE2 PHE A 29 5.893 -1.211 -0.503 1.00 0.00 C ATOM 411 CZ PHE A 29 7.113 -1.154 -1.195 1.00 0.00 C ATOM 0 H PHE A 29 5.642 2.487 4.244 1.00 0.00 H new ATOM 0 HA PHE A 29 7.457 0.441 3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.246 1.523 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.376 2.676 1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.523 1.512 0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.690 -0.339 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.003 -0.132 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.159 -1.960 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.321 -1.864 -1.982 1.00 0.00 H new ATOM 421 N SER A 30 8.594 3.504 3.571 1.00 0.00 N ATOM 422 CA SER A 30 9.838 4.295 3.636 1.00 0.00 C ATOM 423 C SER A 30 10.939 3.635 4.489 1.00 0.00 C ATOM 424 O SER A 30 12.120 3.922 4.288 1.00 0.00 O ATOM 425 CB SER A 30 9.563 5.705 4.180 1.00 0.00 C ATOM 426 OG SER A 30 8.640 6.415 3.372 1.00 0.00 O ATOM 0 H SER A 30 7.775 4.011 3.906 1.00 0.00 H new ATOM 0 HA SER A 30 10.203 4.350 2.611 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.175 5.632 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.499 6.261 4.236 1.00 0.00 H new ATOM 0 HG SER A 30 7.730 6.109 3.569 1.00 0.00 H new ATOM 432 N SER A 31 10.594 2.713 5.397 1.00 0.00 N ATOM 433 CA SER A 31 11.561 1.926 6.176 1.00 0.00 C ATOM 434 C SER A 31 12.390 0.947 5.330 1.00 0.00 C ATOM 435 O SER A 31 13.502 0.600 5.727 1.00 0.00 O ATOM 436 CB SER A 31 10.840 1.104 7.247 1.00 0.00 C ATOM 437 OG SER A 31 10.006 1.904 8.059 1.00 0.00 O ATOM 0 H SER A 31 9.623 2.489 5.615 1.00 0.00 H new ATOM 0 HA SER A 31 12.238 2.660 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.242 0.329 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.576 0.598 7.872 1.00 0.00 H new ATOM 0 HG SER A 31 9.563 1.341 8.728 1.00 0.00 H new ATOM 443 N PHE A 32 11.888 0.496 4.171 1.00 0.00 N ATOM 444 CA PHE A 32 12.594 -0.458 3.299 1.00 0.00 C ATOM 445 C PHE A 32 13.531 0.222 2.291 1.00 0.00 C ATOM 446 O PHE A 32 14.601 -0.315 1.998 1.00 0.00 O ATOM 447 CB PHE A 32 11.578 -1.344 2.563 1.00 0.00 C ATOM 448 CG PHE A 32 10.797 -2.293 3.451 1.00 0.00 C ATOM 449 CD1 PHE A 32 11.399 -3.482 3.909 1.00 0.00 C ATOM 450 CD2 PHE A 32 9.463 -2.012 3.801 1.00 0.00 C ATOM 451 CE1 PHE A 32 10.669 -4.386 4.701 1.00 0.00 C ATOM 452 CE2 PHE A 32 8.734 -2.917 4.594 1.00 0.00 C ATOM 453 CZ PHE A 32 9.333 -4.107 5.039 1.00 0.00 C ATOM 0 H PHE A 32 10.978 0.783 3.810 1.00 0.00 H new ATOM 0 HA PHE A 32 13.224 -1.069 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.874 -0.702 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.106 -1.927 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.425 -3.700 3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.998 -1.099 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.135 -5.296 5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.711 -2.696 4.861 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.769 -4.806 5.639 1.00 0.00 H new ATOM 463 N GLY A 33 13.147 1.390 1.764 1.00 0.00 N ATOM 464 CA GLY A 33 13.914 2.118 0.750 1.00 0.00 C ATOM 465 C GLY A 33 13.214 3.387 0.257 1.00 0.00 C ATOM 466 O GLY A 33 12.323 3.916 0.927 1.00 0.00 O ATOM 0 H GLY A 33 12.284 1.861 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.887 2.385 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.098 1.459 -0.099 1.00 0.00 H new ATOM 470 N GLU A 34 13.624 3.898 -0.906 1.00 0.00 N ATOM 471 CA GLU A 34 13.169 5.200 -1.417 1.00 0.00 C ATOM 472 C GLU A 34 11.748 5.168 -2.020 1.00 0.00 C ATOM 473 O GLU A 34 11.424 4.330 -2.867 1.00 0.00 O ATOM 474 CB GLU A 34 14.224 5.778 -2.373 1.00 0.00 C ATOM 475 CG GLU A 34 13.910 7.231 -2.754 1.00 0.00 C ATOM 476 CD GLU A 34 15.185 8.066 -2.883 1.00 0.00 C ATOM 477 OE1 GLU A 34 15.990 7.830 -3.816 1.00 0.00 O ATOM 478 OE2 GLU A 34 15.410 8.975 -2.047 1.00 0.00 O ATOM 0 H GLU A 34 14.282 3.422 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 34 13.072 5.876 -0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.206 5.729 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.271 5.167 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.364 7.251 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.259 7.673 -2.000 1.00 0.00 H new ATOM 485 N ILE A 35 10.901 6.100 -1.567 1.00 0.00 N ATOM 486 CA ILE A 35 9.441 6.099 -1.760 1.00 0.00 C ATOM 487 C ILE A 35 8.969 7.167 -2.762 1.00 0.00 C ATOM 488 O ILE A 35 9.571 8.239 -2.874 1.00 0.00 O ATOM 489 CB ILE A 35 8.758 6.235 -0.376 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.285 5.778 -0.344 1.00 0.00 C ATOM 491 CG2 ILE A 35 8.844 7.678 0.149 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.132 4.269 -0.557 1.00 0.00 C ATOM 0 H ILE A 35 11.224 6.908 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 35 9.146 5.152 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 35 9.317 5.559 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.844 6.053 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.727 6.309 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.356 7.741 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.890 7.967 0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.347 8.350 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.076 4.002 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.546 3.995 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.665 3.735 0.229 1.00 0.00 H new ATOM 504 N LEU A 36 7.869 6.887 -3.473 1.00 0.00 N ATOM 505 CA LEU A 36 7.292 7.779 -4.483 1.00 0.00 C ATOM 506 C LEU A 36 5.869 8.265 -4.130 1.00 0.00 C ATOM 507 O LEU A 36 5.673 9.465 -3.934 1.00 0.00 O ATOM 508 CB LEU A 36 7.434 7.074 -5.846 1.00 0.00 C ATOM 509 CG LEU A 36 7.408 8.000 -7.074 1.00 0.00 C ATOM 510 CD1 LEU A 36 7.883 7.216 -8.296 1.00 0.00 C ATOM 511 CD2 LEU A 36 6.012 8.544 -7.382 1.00 0.00 C ATOM 0 H LEU A 36 7.347 6.018 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 36 7.838 8.721 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.371 6.517 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.629 6.345 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 36 8.059 8.845 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.868 7.864 -9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.899 6.858 -8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.222 6.366 -8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.059 9.190 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.333 7.714 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.648 9.116 -6.528 1.00 0.00 H new ATOM 523 N ASP A 37 4.870 7.388 -3.974 1.00 0.00 N ATOM 524 CA ASP A 37 3.471 7.789 -3.693 1.00 0.00 C ATOM 525 C ASP A 37 2.645 6.674 -3.034 1.00 0.00 C ATOM 526 O ASP A 37 2.999 5.501 -3.148 1.00 0.00 O ATOM 527 CB ASP A 37 2.774 8.312 -4.978 1.00 0.00 C ATOM 528 CG ASP A 37 1.889 7.305 -5.730 1.00 0.00 C ATOM 529 OD1 ASP A 37 0.678 7.199 -5.419 1.00 0.00 O ATOM 530 OD2 ASP A 37 2.367 6.641 -6.675 1.00 0.00 O ATOM 0 H ASP A 37 5.001 6.378 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 37 3.524 8.602 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.161 9.172 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.543 8.670 -5.663 1.00 0.00 H new ATOM 535 N ALA A 38 1.517 7.023 -2.400 1.00 0.00 N ATOM 536 CA ALA A 38 0.466 6.066 -2.068 1.00 0.00 C ATOM 537 C ALA A 38 -0.943 6.636 -2.350 1.00 0.00 C ATOM 538 O ALA A 38 -1.170 7.843 -2.245 1.00 0.00 O ATOM 539 CB ALA A 38 0.660 5.584 -0.622 1.00 0.00 C ATOM 0 H ALA A 38 1.313 7.978 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 38 0.546 5.195 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.123 4.869 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.634 5.105 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.606 6.436 0.056 1.00 0.00 H new ATOM 545 N LYS A 39 -1.887 5.761 -2.724 1.00 0.00 N ATOM 546 CA LYS A 39 -3.310 6.057 -2.994 1.00 0.00 C ATOM 547 C LYS A 39 -4.191 5.538 -1.858 1.00 0.00 C ATOM 548 O LYS A 39 -4.033 4.388 -1.454 1.00 0.00 O ATOM 549 CB LYS A 39 -3.712 5.430 -4.351 1.00 0.00 C ATOM 550 CG LYS A 39 -5.222 5.410 -4.691 1.00 0.00 C ATOM 551 CD LYS A 39 -5.840 6.805 -4.871 1.00 0.00 C ATOM 552 CE LYS A 39 -7.330 6.699 -5.223 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.976 8.033 -5.254 1.00 0.00 N ATOM 0 H LYS A 39 -1.671 4.773 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.454 7.136 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.193 5.971 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.345 4.404 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.370 4.837 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.756 4.887 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.718 7.383 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.313 7.342 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.442 6.216 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.834 6.066 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.982 7.926 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.889 8.482 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.510 8.628 -5.969 1.00 0.00 H new ATOM 567 N ILE A 40 -5.166 6.335 -1.423 1.00 0.00 N ATOM 568 CA ILE A 40 -6.278 5.917 -0.553 1.00 0.00 C ATOM 569 C ILE A 40 -7.592 5.929 -1.355 1.00 0.00 C ATOM 570 O ILE A 40 -7.831 6.857 -2.132 1.00 0.00 O ATOM 571 CB ILE A 40 -6.305 6.813 0.716 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.797 6.102 1.994 1.00 0.00 C ATOM 573 CG2 ILE A 40 -7.042 8.150 0.534 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.179 5.439 1.969 1.00 0.00 C ATOM 0 H ILE A 40 -5.210 7.323 -1.672 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.142 4.893 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.249 7.040 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.065 5.336 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.793 6.832 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.013 8.712 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.558 8.728 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.079 7.959 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.381 4.983 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.939 6.190 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.200 4.672 1.195 1.00 0.00 H new ATOM 586 N ILE A 41 -8.463 4.928 -1.182 1.00 0.00 N ATOM 587 CA ILE A 41 -9.856 4.978 -1.655 1.00 0.00 C ATOM 588 C ILE A 41 -10.894 4.832 -0.521 1.00 0.00 C ATOM 589 O ILE A 41 -11.100 3.753 0.048 1.00 0.00 O ATOM 590 CB ILE A 41 -10.073 4.035 -2.859 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.530 4.067 -3.372 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.593 2.600 -2.574 1.00 0.00 C ATOM 593 CD1 ILE A 41 -11.981 5.450 -3.868 1.00 0.00 C ATOM 0 H ILE A 41 -8.223 4.057 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.038 5.985 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.447 4.418 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.636 3.348 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.195 3.744 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.768 1.977 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.528 2.612 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.143 2.194 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.014 5.394 -4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.909 6.170 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.341 5.768 -4.691 1.00 0.00 H new ATOM 715 N SER A 49 -16.175 2.876 1.840 1.00 0.00 N ATOM 716 CA SER A 49 -14.858 2.719 2.478 1.00 0.00 C ATOM 717 C SER A 49 -14.203 1.414 2.004 1.00 0.00 C ATOM 718 O SER A 49 -14.282 0.380 2.666 1.00 0.00 O ATOM 719 CB SER A 49 -14.966 2.836 4.017 1.00 0.00 C ATOM 720 OG SER A 49 -16.202 2.371 4.540 1.00 0.00 O ATOM 0 HA SER A 49 -14.202 3.533 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.153 2.271 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.830 3.879 4.304 1.00 0.00 H new ATOM 0 HG SER A 49 -16.861 2.309 3.817 1.00 0.00 H new ATOM 726 N ARG A 50 -13.541 1.459 0.836 1.00 0.00 N ATOM 727 CA ARG A 50 -13.014 0.275 0.115 1.00 0.00 C ATOM 728 C ARG A 50 -11.852 -0.414 0.846 1.00 0.00 C ATOM 729 O ARG A 50 -11.709 -1.634 0.772 1.00 0.00 O ATOM 730 CB ARG A 50 -12.541 0.722 -1.279 1.00 0.00 C ATOM 731 CG ARG A 50 -13.631 1.113 -2.291 1.00 0.00 C ATOM 732 CD ARG A 50 -14.262 -0.070 -3.032 1.00 0.00 C ATOM 733 NE ARG A 50 -15.438 -0.642 -2.352 1.00 0.00 N ATOM 734 CZ ARG A 50 -16.375 -1.378 -2.921 1.00 0.00 C ATOM 735 NH1 ARG A 50 -16.327 -1.750 -4.169 1.00 0.00 N ATOM 736 NH2 ARG A 50 -17.402 -1.744 -2.220 1.00 0.00 N ATOM 0 H ARG A 50 -13.350 2.336 0.351 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.821 -0.455 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.873 1.574 -1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.950 -0.085 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.416 1.659 -1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.201 1.797 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.554 0.254 -4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.511 -0.850 -3.156 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.537 -0.453 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.539 -1.472 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.077 -2.319 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.478 -1.463 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.134 -2.313 -2.646 1.00 0.00 H new ATOM 750 N GLY A 51 -11.039 0.357 1.572 1.00 0.00 N ATOM 751 CA GLY A 51 -10.062 -0.174 2.534 1.00 0.00 C ATOM 752 C GLY A 51 -8.825 -0.853 1.923 1.00 0.00 C ATOM 753 O GLY A 51 -8.264 -1.781 2.508 1.00 0.00 O ATOM 0 H GLY A 51 -11.038 1.375 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.727 0.644 3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.568 -0.894 3.178 1.00 0.00 H new ATOM 757 N PHE A 52 -8.369 -0.383 0.764 1.00 0.00 N ATOM 758 CA PHE A 52 -7.086 -0.748 0.157 1.00 0.00 C ATOM 759 C PHE A 52 -6.402 0.486 -0.442 1.00 0.00 C ATOM 760 O PHE A 52 -7.007 1.557 -0.549 1.00 0.00 O ATOM 761 CB PHE A 52 -7.269 -1.868 -0.884 1.00 0.00 C ATOM 762 CG PHE A 52 -8.332 -1.628 -1.947 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.070 -0.783 -3.044 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.580 -2.273 -1.854 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.058 -0.564 -4.023 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.562 -2.065 -2.839 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.310 -1.196 -3.914 1.00 0.00 C ATOM 0 H PHE A 52 -8.897 0.284 0.202 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.432 -1.138 0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.314 -2.031 -1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.514 -2.790 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.108 -0.301 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.784 -2.931 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.854 0.090 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.512 -2.574 -2.769 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.075 -1.014 -4.654 1.00 0.00 H new ATOM 777 N GLY A 53 -5.141 0.323 -0.834 1.00 0.00 N ATOM 778 CA GLY A 53 -4.364 1.335 -1.544 1.00 0.00 C ATOM 779 C GLY A 53 -3.356 0.727 -2.515 1.00 0.00 C ATOM 780 O GLY A 53 -3.087 -0.474 -2.484 1.00 0.00 O ATOM 0 H GLY A 53 -4.619 -0.536 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.042 1.989 -2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.836 1.956 -0.820 1.00 0.00 H new ATOM 784 N PHE A 54 -2.792 1.573 -3.375 1.00 0.00 N ATOM 785 CA PHE A 54 -1.613 1.257 -4.190 1.00 0.00 C ATOM 786 C PHE A 54 -0.429 2.128 -3.752 1.00 0.00 C ATOM 787 O PHE A 54 -0.613 3.323 -3.517 1.00 0.00 O ATOM 788 CB PHE A 54 -1.939 1.407 -5.682 1.00 0.00 C ATOM 789 CG PHE A 54 -3.013 0.451 -6.171 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.692 -0.895 -6.423 1.00 0.00 C ATOM 791 CD2 PHE A 54 -4.336 0.897 -6.364 1.00 0.00 C ATOM 792 CE1 PHE A 54 -3.684 -1.790 -6.866 1.00 0.00 C ATOM 793 CE2 PHE A 54 -5.327 0.004 -6.807 1.00 0.00 C ATOM 794 CZ PHE A 54 -5.003 -1.341 -7.056 1.00 0.00 C ATOM 0 H PHE A 54 -3.146 2.517 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.325 0.217 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.262 2.430 -5.873 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.030 1.246 -6.262 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.680 -1.243 -6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.589 1.929 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.432 -2.822 -7.060 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -6.339 0.352 -6.956 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.765 -2.028 -7.392 1.00 0.00 H new ATOM 804 N VAL A 55 0.773 1.558 -3.651 1.00 0.00 N ATOM 805 CA VAL A 55 1.996 2.220 -3.156 1.00 0.00 C ATOM 806 C VAL A 55 3.169 2.034 -4.125 1.00 0.00 C ATOM 807 O VAL A 55 3.300 0.986 -4.761 1.00 0.00 O ATOM 808 CB VAL A 55 2.315 1.773 -1.712 1.00 0.00 C ATOM 809 CG1 VAL A 55 2.558 0.265 -1.579 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.517 2.510 -1.108 1.00 0.00 C ATOM 0 H VAL A 55 0.935 0.587 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 55 1.817 3.294 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 55 1.415 2.035 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.776 0.022 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.668 -0.277 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.403 -0.024 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.691 2.152 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.402 2.322 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.314 3.581 -1.085 1.00 0.00 H new ATOM 820 N SER A 56 4.001 3.068 -4.246 1.00 0.00 N ATOM 821 CA SER A 56 4.985 3.251 -5.322 1.00 0.00 C ATOM 822 C SER A 56 6.352 3.647 -4.772 1.00 0.00 C ATOM 823 O SER A 56 6.444 4.448 -3.841 1.00 0.00 O ATOM 824 CB SER A 56 4.532 4.370 -6.259 1.00 0.00 C ATOM 825 OG SER A 56 3.174 4.237 -6.597 1.00 0.00 O ATOM 0 H SER A 56 4.011 3.834 -3.572 1.00 0.00 H new ATOM 0 HA SER A 56 5.062 2.299 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.697 5.336 -5.781 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.137 4.355 -7.165 1.00 0.00 H new ATOM 0 HG SER A 56 2.681 5.026 -6.289 1.00 0.00 H new ATOM 831 N PHE A 57 7.417 3.127 -5.378 1.00 0.00 N ATOM 832 CA PHE A 57 8.795 3.189 -4.873 1.00 0.00 C ATOM 833 C PHE A 57 9.789 3.356 -6.031 1.00 0.00 C ATOM 834 O PHE A 57 9.501 2.954 -7.160 1.00 0.00 O ATOM 835 CB PHE A 57 9.087 1.928 -4.030 1.00 0.00 C ATOM 836 CG PHE A 57 8.305 0.687 -4.445 1.00 0.00 C ATOM 837 CD1 PHE A 57 8.818 -0.180 -5.424 1.00 0.00 C ATOM 838 CD2 PHE A 57 7.015 0.458 -3.925 1.00 0.00 C ATOM 839 CE1 PHE A 57 8.036 -1.252 -5.893 1.00 0.00 C ATOM 840 CE2 PHE A 57 6.239 -0.620 -4.386 1.00 0.00 C ATOM 841 CZ PHE A 57 6.751 -1.476 -5.375 1.00 0.00 C ATOM 0 H PHE A 57 7.346 2.632 -6.267 1.00 0.00 H new ATOM 0 HA PHE A 57 8.913 4.061 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.152 1.706 -4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 57 8.866 2.147 -2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.812 -0.024 -5.817 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.619 1.116 -3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 57 8.428 -1.907 -6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.252 -0.789 -3.981 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.158 -2.304 -5.735 1.00 0.00 H new ATOM 851 N SER A 58 10.947 3.963 -5.772 1.00 0.00 N ATOM 852 CA SER A 58 11.877 4.390 -6.835 1.00 0.00 C ATOM 853 C SER A 58 13.004 3.387 -7.131 1.00 0.00 C ATOM 854 O SER A 58 13.614 3.452 -8.205 1.00 0.00 O ATOM 855 CB SER A 58 12.457 5.769 -6.498 1.00 0.00 C ATOM 856 OG SER A 58 11.410 6.708 -6.316 1.00 0.00 O ATOM 0 H SER A 58 11.272 4.175 -4.829 1.00 0.00 H new ATOM 0 HA SER A 58 11.288 4.442 -7.751 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.061 5.707 -5.593 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.117 6.100 -7.300 1.00 0.00 H new ATOM 0 HG SER A 58 11.791 7.585 -6.100 1.00 0.00 H new ATOM 862 N ASN A 59 13.270 2.447 -6.214 1.00 0.00 N ATOM 863 CA ASN A 59 14.434 1.552 -6.269 1.00 0.00 C ATOM 864 C ASN A 59 14.057 0.054 -6.272 1.00 0.00 C ATOM 865 O ASN A 59 13.035 -0.373 -5.736 1.00 0.00 O ATOM 866 CB ASN A 59 15.416 1.884 -5.129 1.00 0.00 C ATOM 867 CG ASN A 59 16.162 3.211 -5.266 1.00 0.00 C ATOM 868 OD1 ASN A 59 15.638 4.233 -5.689 1.00 0.00 O ATOM 869 ND2 ASN A 59 17.420 3.237 -4.890 1.00 0.00 N ATOM 0 H ASN A 59 12.675 2.285 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 59 14.926 1.731 -7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.864 1.893 -4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.150 1.081 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.953 4.105 -4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.864 2.390 -4.536 1.00 0.00 H new ATOM 876 N GLU A 60 14.932 -0.755 -6.867 1.00 0.00 N ATOM 877 CA GLU A 60 14.680 -2.157 -7.239 1.00 0.00 C ATOM 878 C GLU A 60 14.865 -3.153 -6.083 1.00 0.00 C ATOM 879 O GLU A 60 14.075 -4.091 -5.958 1.00 0.00 O ATOM 880 CB GLU A 60 15.631 -2.561 -8.372 1.00 0.00 C ATOM 881 CG GLU A 60 15.455 -1.756 -9.666 1.00 0.00 C ATOM 882 CD GLU A 60 16.752 -1.780 -10.474 1.00 0.00 C ATOM 883 OE1 GLU A 60 17.747 -1.165 -10.022 1.00 0.00 O ATOM 884 OE2 GLU A 60 16.798 -2.431 -11.546 1.00 0.00 O ATOM 0 H GLU A 60 15.872 -0.446 -7.115 1.00 0.00 H new ATOM 0 HA GLU A 60 13.635 -2.204 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.658 -2.448 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.484 -3.618 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.640 -2.175 -10.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.182 -0.727 -9.430 1.00 0.00 H new ATOM 891 N GLN A 61 15.877 -2.960 -5.228 1.00 0.00 N ATOM 892 CA GLN A 61 16.073 -3.804 -4.041 1.00 0.00 C ATOM 893 C GLN A 61 14.935 -3.606 -3.031 1.00 0.00 C ATOM 894 O GLN A 61 14.431 -4.582 -2.475 1.00 0.00 O ATOM 895 CB GLN A 61 17.431 -3.508 -3.387 1.00 0.00 C ATOM 896 CG GLN A 61 18.606 -4.175 -4.116 1.00 0.00 C ATOM 897 CD GLN A 61 19.903 -3.991 -3.337 1.00 0.00 C ATOM 898 OE1 GLN A 61 20.787 -3.232 -3.713 1.00 0.00 O ATOM 899 NE2 GLN A 61 20.057 -4.659 -2.215 1.00 0.00 N ATOM 0 H GLN A 61 16.575 -2.224 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 61 16.062 -4.846 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.590 -2.430 -3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.412 -3.849 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.403 -5.238 -4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 61 18.712 -3.746 -5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.325 -5.293 -1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.908 -4.543 -1.665 1.00 0.00 H new ATOM 908 N ALA A 62 14.458 -2.367 -2.871 1.00 0.00 N ATOM 909 CA ALA A 62 13.295 -2.048 -2.044 1.00 0.00 C ATOM 910 C ALA A 62 12.031 -2.800 -2.500 1.00 0.00 C ATOM 911 O ALA A 62 11.274 -3.275 -1.660 1.00 0.00 O ATOM 912 CB ALA A 62 13.087 -0.530 -2.068 1.00 0.00 C ATOM 0 H ALA A 62 14.875 -1.550 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 62 13.483 -2.379 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.223 -0.271 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.974 -0.035 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.916 -0.202 -3.093 1.00 0.00 H new ATOM 918 N MET A 63 11.831 -2.987 -3.811 1.00 0.00 N ATOM 919 CA MET A 63 10.703 -3.756 -4.356 1.00 0.00 C ATOM 920 C MET A 63 10.712 -5.236 -3.931 1.00 0.00 C ATOM 921 O MET A 63 9.643 -5.834 -3.802 1.00 0.00 O ATOM 922 CB MET A 63 10.708 -3.614 -5.888 1.00 0.00 C ATOM 923 CG MET A 63 9.597 -4.396 -6.597 1.00 0.00 C ATOM 924 SD MET A 63 9.517 -4.059 -8.376 1.00 0.00 S ATOM 925 CE MET A 63 8.284 -5.295 -8.867 1.00 0.00 C ATOM 0 H MET A 63 12.450 -2.607 -4.528 1.00 0.00 H new ATOM 0 HA MET A 63 9.782 -3.346 -3.942 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.614 -2.559 -6.144 1.00 0.00 H new ATOM 0 HB3 MET A 63 11.673 -3.949 -6.269 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.756 -5.463 -6.442 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.638 -4.147 -6.142 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.110 -5.229 -9.941 1.00 0.00 H new ATOM 0 HE2 MET A 63 8.649 -6.292 -8.619 1.00 0.00 H new ATOM 0 HE3 MET A 63 7.350 -5.108 -8.336 1.00 0.00 H new ATOM 935 N GLN A 64 11.879 -5.848 -3.700 1.00 0.00 N ATOM 936 CA GLN A 64 11.959 -7.189 -3.114 1.00 0.00 C ATOM 937 C GLN A 64 11.914 -7.169 -1.583 1.00 0.00 C ATOM 938 O GLN A 64 11.067 -7.834 -0.990 1.00 0.00 O ATOM 939 CB GLN A 64 13.176 -7.943 -3.657 1.00 0.00 C ATOM 940 CG GLN A 64 12.942 -8.327 -5.127 1.00 0.00 C ATOM 941 CD GLN A 64 13.918 -9.347 -5.709 1.00 0.00 C ATOM 942 OE1 GLN A 64 14.928 -9.732 -5.128 1.00 0.00 O ATOM 943 NE2 GLN A 64 13.620 -9.821 -6.897 1.00 0.00 N ATOM 0 H GLN A 64 12.786 -5.432 -3.912 1.00 0.00 H new ATOM 0 HA GLN A 64 11.067 -7.735 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 64 14.067 -7.321 -3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.355 -8.839 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.931 -8.723 -5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.988 -7.421 -5.732 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.780 -9.500 -7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.229 -10.510 -7.338 1.00 0.00 H new ATOM 952 N ASP A 65 12.781 -6.382 -0.938 1.00 0.00 N ATOM 953 CA ASP A 65 12.874 -6.295 0.527 1.00 0.00 C ATOM 954 C ASP A 65 11.527 -5.944 1.180 1.00 0.00 C ATOM 955 O ASP A 65 11.181 -6.535 2.207 1.00 0.00 O ATOM 956 CB ASP A 65 13.921 -5.239 0.926 1.00 0.00 C ATOM 957 CG ASP A 65 15.378 -5.708 0.842 1.00 0.00 C ATOM 958 OD1 ASP A 65 15.680 -6.747 0.208 1.00 0.00 O ATOM 959 OD2 ASP A 65 16.238 -5.034 1.457 1.00 0.00 O ATOM 0 H ASP A 65 13.447 -5.780 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 65 13.173 -7.280 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.798 -4.367 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.718 -4.915 1.947 1.00 0.00 H new ATOM 964 N ALA A 66 10.759 -5.036 0.565 1.00 0.00 N ATOM 965 CA ALA A 66 9.434 -4.650 1.035 1.00 0.00 C ATOM 966 C ALA A 66 8.406 -5.763 0.824 1.00 0.00 C ATOM 967 O ALA A 66 7.813 -6.205 1.792 1.00 0.00 O ATOM 968 CB ALA A 66 8.997 -3.342 0.368 1.00 0.00 C ATOM 0 H ALA A 66 11.049 -4.547 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 66 9.492 -4.484 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.006 -3.064 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.707 -2.553 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.967 -3.477 -0.713 1.00 0.00 H new ATOM 974 N ILE A 67 8.192 -6.262 -0.398 1.00 0.00 N ATOM 975 CA ILE A 67 7.188 -7.311 -0.685 1.00 0.00 C ATOM 976 C ILE A 67 7.427 -8.589 0.143 1.00 0.00 C ATOM 977 O ILE A 67 6.470 -9.195 0.641 1.00 0.00 O ATOM 978 CB ILE A 67 7.150 -7.598 -2.207 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.683 -6.365 -3.018 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.275 -8.810 -2.574 1.00 0.00 C ATOM 981 CD1 ILE A 67 5.228 -5.931 -2.807 1.00 0.00 C ATOM 0 H ILE A 67 8.707 -5.954 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 67 6.209 -6.941 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 67 8.180 -7.835 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.331 -5.525 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.828 -6.576 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.291 -8.957 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.663 -9.701 -2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.251 -8.631 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.015 -5.059 -3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.561 -6.746 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.072 -5.679 -1.758 1.00 0.00 H new ATOM 993 N GLU A 68 8.688 -8.973 0.364 1.00 0.00 N ATOM 994 CA GLU A 68 9.031 -10.096 1.243 1.00 0.00 C ATOM 995 C GLU A 68 8.776 -9.801 2.735 1.00 0.00 C ATOM 996 O GLU A 68 8.304 -10.688 3.454 1.00 0.00 O ATOM 997 CB GLU A 68 10.495 -10.491 1.014 1.00 0.00 C ATOM 998 CG GLU A 68 10.704 -11.078 -0.388 1.00 0.00 C ATOM 999 CD GLU A 68 12.180 -11.380 -0.638 1.00 0.00 C ATOM 1000 OE1 GLU A 68 12.733 -12.281 0.039 1.00 0.00 O ATOM 1001 OE2 GLU A 68 12.800 -10.733 -1.513 1.00 0.00 O ATOM 0 H GLU A 68 9.496 -8.517 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 68 8.373 -10.925 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.134 -9.617 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.798 -11.221 1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.119 -11.991 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.340 -10.376 -1.138 1.00 0.00 H new ATOM 1008 N GLY A 69 9.050 -8.577 3.203 1.00 0.00 N ATOM 1009 CA GLY A 69 8.889 -8.159 4.603 1.00 0.00 C ATOM 1010 C GLY A 69 7.468 -7.727 4.999 1.00 0.00 C ATOM 1011 O GLY A 69 7.054 -7.966 6.130 1.00 0.00 O ATOM 0 H GLY A 69 9.399 -7.829 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.194 -8.983 5.248 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.571 -7.331 4.799 1.00 0.00 H new ATOM 1015 N MET A 70 6.705 -7.132 4.081 1.00 0.00 N ATOM 1016 CA MET A 70 5.327 -6.646 4.254 1.00 0.00 C ATOM 1017 C MET A 70 4.355 -7.781 4.557 1.00 0.00 C ATOM 1018 O MET A 70 3.457 -7.606 5.377 1.00 0.00 O ATOM 1019 CB MET A 70 4.853 -5.957 2.956 1.00 0.00 C ATOM 1020 CG MET A 70 5.451 -4.553 2.753 1.00 0.00 C ATOM 1021 SD MET A 70 4.248 -3.193 2.763 1.00 0.00 S ATOM 1022 CE MET A 70 5.228 -1.897 3.569 1.00 0.00 C ATOM 0 H MET A 70 7.051 -6.964 3.136 1.00 0.00 H new ATOM 0 HA MET A 70 5.336 -5.951 5.094 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.118 -6.583 2.104 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.766 -5.882 2.970 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.187 -4.372 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.986 -4.537 1.803 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.650 -0.973 3.605 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.479 -2.208 4.583 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.145 -1.730 3.004 1.00 0.00 H new ATOM 1032 N ASN A 71 4.532 -8.930 3.891 1.00 0.00 N ATOM 1033 CA ASN A 71 3.622 -10.069 3.962 1.00 0.00 C ATOM 1034 C ASN A 71 3.227 -10.444 5.408 1.00 0.00 C ATOM 1035 O ASN A 71 4.017 -11.030 6.160 1.00 0.00 O ATOM 1036 CB ASN A 71 4.287 -11.241 3.220 1.00 0.00 C ATOM 1037 CG ASN A 71 3.506 -12.541 3.326 1.00 0.00 C ATOM 1038 OD1 ASN A 71 2.281 -12.567 3.396 1.00 0.00 O ATOM 1039 ND2 ASN A 71 4.208 -13.648 3.343 1.00 0.00 N ATOM 0 H ASN A 71 5.330 -9.092 3.277 1.00 0.00 H new ATOM 0 HA ASN A 71 2.678 -9.805 3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.401 -10.978 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.289 -11.394 3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.737 -14.550 3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.225 -13.608 3.284 1.00 0.00 H new ATOM 1046 N GLY A 72 1.981 -10.118 5.771 1.00 0.00 N ATOM 1047 CA GLY A 72 1.360 -10.510 7.035 1.00 0.00 C ATOM 1048 C GLY A 72 1.772 -9.679 8.256 1.00 0.00 C ATOM 1049 O GLY A 72 1.615 -10.165 9.379 1.00 0.00 O ATOM 0 H GLY A 72 1.365 -9.562 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.278 -10.448 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.601 -11.555 7.230 1.00 0.00 H new ATOM 1053 N LYS A 73 2.327 -8.470 8.089 1.00 0.00 N ATOM 1054 CA LYS A 73 2.662 -7.599 9.235 1.00 0.00 C ATOM 1055 C LYS A 73 1.422 -6.962 9.869 1.00 0.00 C ATOM 1056 O LYS A 73 0.508 -6.507 9.184 1.00 0.00 O ATOM 1057 CB LYS A 73 3.697 -6.534 8.832 1.00 0.00 C ATOM 1058 CG LYS A 73 5.104 -7.106 8.602 1.00 0.00 C ATOM 1059 CD LYS A 73 5.761 -7.618 9.895 1.00 0.00 C ATOM 1060 CE LYS A 73 7.276 -7.811 9.763 1.00 0.00 C ATOM 1061 NZ LYS A 73 7.637 -8.784 8.709 1.00 0.00 N ATOM 0 H LYS A 73 2.554 -8.071 7.178 1.00 0.00 H new ATOM 0 HA LYS A 73 3.108 -8.235 9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.361 -6.038 7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.745 -5.772 9.610 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.046 -7.922 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.736 -6.336 8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.559 -6.913 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.303 -8.566 10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.743 -6.851 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.680 -8.149 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.667 -8.928 8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.161 -9.690 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.337 -8.419 7.782 1.00 0.00 H new ATOM 1075 N GLU A 74 1.424 -6.885 11.197 1.00 0.00 N ATOM 1076 CA GLU A 74 0.411 -6.197 12.001 1.00 0.00 C ATOM 1077 C GLU A 74 0.749 -4.707 12.107 1.00 0.00 C ATOM 1078 O GLU A 74 1.783 -4.338 12.675 1.00 0.00 O ATOM 1079 CB GLU A 74 0.307 -6.859 13.385 1.00 0.00 C ATOM 1080 CG GLU A 74 -0.273 -8.276 13.286 1.00 0.00 C ATOM 1081 CD GLU A 74 -0.484 -8.887 14.673 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -1.423 -8.458 15.389 1.00 0.00 O ATOM 1083 OE2 GLU A 74 0.286 -9.796 15.069 1.00 0.00 O ATOM 0 H GLU A 74 2.155 -7.314 11.765 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.562 -6.281 11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.294 -6.900 13.846 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.323 -6.251 14.034 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.222 -8.246 12.751 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.400 -8.907 12.706 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.104 -3.856 11.531 1.00 0.00 N ATOM 1091 CA LEU A 75 0.184 -2.442 11.270 1.00 0.00 C ATOM 1092 C LEU A 75 -1.098 -1.606 11.342 1.00 0.00 C ATOM 1093 O LEU A 75 -2.106 -2.015 10.782 1.00 0.00 O ATOM 1094 CB LEU A 75 0.802 -2.351 9.863 1.00 0.00 C ATOM 1095 CG LEU A 75 1.579 -1.050 9.607 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.891 -1.054 10.393 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.898 -0.926 8.119 1.00 0.00 C ATOM 0 H LEU A 75 -1.036 -4.137 11.226 1.00 0.00 H new ATOM 0 HA LEU A 75 0.871 -2.051 12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.472 -3.198 9.716 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.008 -2.440 9.122 1.00 0.00 H new ATOM 0 HG LEU A 75 0.965 -0.209 9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.432 -0.127 10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.677 -1.137 11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.501 -1.901 10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.449 -0.003 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.503 -1.776 7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.970 -0.911 7.548 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.090 -0.468 12.039 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.298 0.325 12.378 1.00 0.00 C ATOM 1111 C ASP A 76 -3.440 -0.493 13.040 1.00 0.00 C ATOM 1112 O ASP A 76 -4.594 -0.069 13.044 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.783 1.140 11.151 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.818 2.221 11.513 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.418 3.209 12.175 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -5.009 2.120 11.118 1.00 0.00 O ATOM 0 H ASP A 76 -0.229 -0.053 12.397 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.991 1.026 13.154 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.924 1.613 10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.219 0.459 10.420 1.00 0.00 H new ATOM 1121 N GLY A 77 -3.155 -1.664 13.623 1.00 0.00 N ATOM 1122 CA GLY A 77 -4.188 -2.600 14.099 1.00 0.00 C ATOM 1123 C GLY A 77 -4.855 -3.432 12.989 1.00 0.00 C ATOM 1124 O GLY A 77 -5.912 -4.024 13.214 1.00 0.00 O ATOM 0 H GLY A 77 -2.202 -1.992 13.779 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.739 -3.279 14.824 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.958 -2.035 14.625 1.00 0.00 H new ATOM 1128 N ARG A 78 -4.255 -3.483 11.794 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.679 -4.198 10.573 1.00 0.00 C ATOM 1130 C ARG A 78 -3.691 -5.339 10.289 1.00 0.00 C ATOM 1131 O ARG A 78 -2.709 -5.483 11.023 1.00 0.00 O ATOM 1132 CB ARG A 78 -4.742 -3.224 9.371 1.00 0.00 C ATOM 1133 CG ARG A 78 -5.208 -1.786 9.653 1.00 0.00 C ATOM 1134 CD ARG A 78 -6.612 -1.654 10.242 1.00 0.00 C ATOM 1135 NE ARG A 78 -6.720 -0.369 10.950 1.00 0.00 N ATOM 1136 CZ ARG A 78 -7.685 0.026 11.748 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -8.798 -0.634 11.874 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -7.499 1.119 12.422 1.00 0.00 N ATOM 0 H ARG A 78 -3.381 -2.981 11.637 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.676 -4.613 10.724 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.749 -3.175 8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.408 -3.654 8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.500 -1.321 10.339 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.169 -1.220 8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.359 -1.710 9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.811 -2.478 10.927 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.957 0.292 10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.945 -1.492 11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.524 -0.294 12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.627 1.638 12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.225 1.459 13.053 1.00 0.00 H new ATOM 1152 N SER A 79 -3.916 -6.119 9.233 1.00 0.00 N ATOM 1153 CA SER A 79 -2.907 -7.045 8.685 1.00 0.00 C ATOM 1154 C SER A 79 -2.582 -6.669 7.241 1.00 0.00 C ATOM 1155 O SER A 79 -3.444 -6.818 6.368 1.00 0.00 O ATOM 1156 CB SER A 79 -3.388 -8.498 8.727 1.00 0.00 C ATOM 1157 OG SER A 79 -3.563 -8.958 10.053 1.00 0.00 O ATOM 0 H SER A 79 -4.802 -6.132 8.727 1.00 0.00 H new ATOM 0 HA SER A 79 -2.015 -6.960 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.330 -8.584 8.186 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.666 -9.134 8.214 1.00 0.00 H new ATOM 0 HG SER A 79 -3.872 -9.888 10.039 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.361 -6.189 6.971 1.00 0.00 N ATOM 1164 CA ILE A 80 -0.979 -5.787 5.610 1.00 0.00 C ATOM 1165 C ILE A 80 -0.693 -7.000 4.722 1.00 0.00 C ATOM 1166 O ILE A 80 0.107 -7.880 5.048 1.00 0.00 O ATOM 1167 CB ILE A 80 0.123 -4.708 5.534 1.00 0.00 C ATOM 1168 CG1 ILE A 80 1.387 -5.013 6.356 1.00 0.00 C ATOM 1169 CG2 ILE A 80 -0.454 -3.340 5.940 1.00 0.00 C ATOM 1170 CD1 ILE A 80 2.616 -4.280 5.797 1.00 0.00 C ATOM 0 H ILE A 80 -0.627 -6.070 7.669 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.856 -5.284 5.204 1.00 0.00 H new ATOM 0 HB ILE A 80 0.450 -4.698 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.227 -4.718 7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.572 -6.087 6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.329 -2.584 5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.266 -3.072 5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.834 -3.394 6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.490 -4.520 6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.791 -4.595 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.441 -3.204 5.822 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.372 -7.020 3.577 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.294 -8.069 2.556 1.00 0.00 C ATOM 1184 C VAL A 81 -0.874 -7.434 1.236 1.00 0.00 C ATOM 1185 O VAL A 81 -1.441 -6.415 0.831 1.00 0.00 O ATOM 1186 CB VAL A 81 -2.635 -8.816 2.447 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -2.636 -9.849 1.318 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -2.937 -9.565 3.751 1.00 0.00 C ATOM 0 H VAL A 81 -2.020 -6.275 3.322 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.547 -8.813 2.833 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.390 -8.057 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.604 -10.349 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.451 -9.349 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.854 -10.586 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.889 -10.088 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.144 -10.286 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.993 -8.853 4.575 1.00 0.00 H new ATOM 1198 N VAL A 82 0.138 -8.021 0.590 1.00 0.00 N ATOM 1199 CA VAL A 82 0.844 -7.431 -0.563 1.00 0.00 C ATOM 1200 C VAL A 82 0.798 -8.302 -1.826 1.00 0.00 C ATOM 1201 O VAL A 82 0.981 -9.521 -1.750 1.00 0.00 O ATOM 1202 CB VAL A 82 2.296 -7.049 -0.239 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.303 -5.814 0.659 1.00 0.00 C ATOM 1204 CG2 VAL A 82 3.125 -8.162 0.408 1.00 0.00 C ATOM 0 H VAL A 82 0.500 -8.937 0.855 1.00 0.00 H new ATOM 0 HA VAL A 82 0.289 -6.518 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 82 2.775 -6.849 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.332 -5.539 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.814 -4.987 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.768 -6.033 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.135 -7.799 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.662 -8.461 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.169 -9.020 -0.263 1.00 0.00 H new ATOM 1214 N ASN A 83 0.640 -7.666 -2.993 1.00 0.00 N ATOM 1215 CA ASN A 83 1.031 -8.193 -4.311 1.00 0.00 C ATOM 1216 C ASN A 83 1.268 -7.058 -5.332 1.00 0.00 C ATOM 1217 O ASN A 83 0.908 -5.906 -5.106 1.00 0.00 O ATOM 1218 CB ASN A 83 0.028 -9.233 -4.860 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.356 -8.709 -5.224 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -1.941 -7.850 -4.580 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.959 -9.246 -6.253 1.00 0.00 N ATOM 0 H ASN A 83 0.222 -6.737 -3.050 1.00 0.00 H new ATOM 0 HA ASN A 83 1.976 -8.714 -4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.464 -9.694 -5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.089 -10.021 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.901 -8.947 -6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.487 -9.964 -6.803 1.00 0.00 H new ATOM 1228 N GLU A 84 1.883 -7.386 -6.467 1.00 0.00 N ATOM 1229 CA GLU A 84 2.149 -6.479 -7.599 1.00 0.00 C ATOM 1230 C GLU A 84 0.884 -5.860 -8.226 1.00 0.00 C ATOM 1231 O GLU A 84 -0.207 -6.420 -8.127 1.00 0.00 O ATOM 1232 CB GLU A 84 3.002 -7.177 -8.684 1.00 0.00 C ATOM 1233 CG GLU A 84 2.901 -8.711 -8.792 1.00 0.00 C ATOM 1234 CD GLU A 84 1.537 -9.286 -9.204 1.00 0.00 C ATOM 1235 OE1 GLU A 84 0.846 -8.713 -10.080 1.00 0.00 O ATOM 1236 OE2 GLU A 84 1.203 -10.386 -8.694 1.00 0.00 O ATOM 0 H GLU A 84 2.227 -8.331 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 84 2.711 -5.648 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.729 -6.753 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.047 -6.920 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.645 -9.051 -9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.173 -9.139 -7.827 1.00 0.00 H new ATOM 1243 N ALA A 85 1.030 -4.682 -8.853 1.00 0.00 N ATOM 1244 CA ALA A 85 -0.055 -3.958 -9.534 1.00 0.00 C ATOM 1245 C ALA A 85 0.171 -3.744 -11.052 1.00 0.00 C ATOM 1246 O ALA A 85 -0.573 -2.997 -11.690 1.00 0.00 O ATOM 1247 CB ALA A 85 -0.277 -2.641 -8.778 1.00 0.00 C ATOM 0 H ALA A 85 1.925 -4.196 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.955 -4.572 -9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.077 -2.077 -9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.553 -2.856 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.641 -2.053 -8.794 1.00 0.00 H new