USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 29 TYR OH : rot 80:sc= 0.691 USER MOD Set 1.2: A 97 THR OG1 : rot -115:sc= 0.147 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.0324 (180deg=-0.519) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.405 X(o=-0.41,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.511 K(o=0.51,f=-6.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.458 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -170:sc= -0.415 USER MOD Single : A 59 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.46) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 92:sc= 0.656 USER MOD Single : A 69 GLN : amide:sc= -0.487 K(o=-0.49,f=-3.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0785 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.694 USER MOD Single : A 80 ASN : amide:sc= -3.03! C(o=-3!,f=-4.5!) USER MOD Single : A 81 THR OG1 : rot 77:sc= 0.563 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : +bothHN:sc= -0.738! C(o=-0.74!,f=-6.1!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.324 5.085 -7.734 1.00 22.12 N ATOM 64 CA VAL A 7 8.583 5.867 -8.716 1.00 74.10 C ATOM 65 C VAL A 7 9.231 7.229 -8.937 1.00 71.21 C ATOM 66 O VAL A 7 9.753 7.513 -10.016 1.00 34.02 O ATOM 67 CB VAL A 7 7.119 6.071 -8.282 1.00 11.12 C ATOM 68 CG1 VAL A 7 6.388 6.966 -9.271 1.00 44.41 C ATOM 69 CG2 VAL A 7 6.414 4.731 -8.140 1.00 61.22 C ATOM 0 HA VAL A 7 8.602 5.304 -9.649 1.00 74.10 H new ATOM 0 HB VAL A 7 7.112 6.564 -7.310 1.00 11.12 H new ATOM 0 HG11 VAL A 7 5.356 7.098 -8.948 1.00 44.41 H new ATOM 0 HG12 VAL A 7 6.881 7.937 -9.317 1.00 44.41 H new ATOM 0 HG13 VAL A 7 6.403 6.505 -10.259 1.00 44.41 H new ATOM 0 HG21 VAL A 7 5.381 4.894 -7.833 1.00 61.22 H new ATOM 0 HG22 VAL A 7 6.430 4.208 -9.096 1.00 61.22 H new ATOM 0 HG23 VAL A 7 6.925 4.129 -7.389 1.00 61.22 H new ATOM 79 N LEU A 8 9.195 8.069 -7.908 1.00 52.31 N ATOM 80 CA LEU A 8 9.780 9.403 -7.989 1.00 42.52 C ATOM 81 C LEU A 8 11.066 9.483 -7.172 1.00 32.32 C ATOM 82 O LEU A 8 11.166 8.899 -6.094 1.00 11.41 O ATOM 83 CB LEU A 8 8.781 10.449 -7.492 1.00 31.34 C ATOM 84 CG LEU A 8 7.414 10.450 -8.176 1.00 11.14 C ATOM 85 CD1 LEU A 8 6.534 11.554 -7.611 1.00 42.23 C ATOM 86 CD2 LEU A 8 7.570 10.608 -9.682 1.00 21.41 C ATOM 0 H LEU A 8 8.767 7.850 -7.008 1.00 52.31 H new ATOM 0 HA LEU A 8 10.021 9.606 -9.033 1.00 42.52 H new ATOM 0 HB2 LEU A 8 8.630 10.299 -6.423 1.00 31.34 H new ATOM 0 HB3 LEU A 8 9.227 11.436 -7.615 1.00 31.34 H new ATOM 0 HG LEU A 8 6.931 9.493 -7.979 1.00 11.14 H new ATOM 0 HD11 LEU A 8 5.565 11.539 -8.110 1.00 42.23 H new ATOM 0 HD12 LEU A 8 6.394 11.396 -6.542 1.00 42.23 H new ATOM 0 HD13 LEU A 8 7.012 12.520 -7.775 1.00 42.23 H new ATOM 0 HD21 LEU A 8 6.586 10.606 -10.152 1.00 21.41 H new ATOM 0 HD22 LEU A 8 8.074 11.550 -9.899 1.00 21.41 H new ATOM 0 HD23 LEU A 8 8.161 9.781 -10.075 1.00 21.41 H new ATOM 98 N SER A 9 12.047 10.213 -7.694 1.00 51.03 N ATOM 99 CA SER A 9 13.328 10.369 -7.015 1.00 34.20 C ATOM 100 C SER A 9 13.295 11.560 -6.062 1.00 64.42 C ATOM 101 O SER A 9 12.260 12.199 -5.884 1.00 20.34 O ATOM 102 CB SER A 9 14.452 10.548 -8.036 1.00 31.41 C ATOM 103 OG SER A 9 14.739 11.921 -8.243 1.00 13.20 O ATOM 0 H SER A 9 11.979 10.705 -8.585 1.00 51.03 H new ATOM 0 HA SER A 9 13.516 9.466 -6.434 1.00 34.20 H new ATOM 0 HB2 SER A 9 15.348 10.034 -7.689 1.00 31.41 H new ATOM 0 HB3 SER A 9 14.166 10.086 -8.981 1.00 31.41 H new ATOM 0 HG SER A 9 15.462 12.009 -8.899 1.00 13.20 H new ATOM 109 N GLY A 10 14.440 11.853 -5.452 1.00 74.25 N ATOM 110 CA GLY A 10 14.522 12.966 -4.523 1.00 20.43 C ATOM 111 C GLY A 10 14.065 14.271 -5.143 1.00 62.51 C ATOM 112 O GLY A 10 13.288 15.013 -4.543 1.00 65.24 O ATOM 0 H GLY A 10 15.312 11.340 -5.584 1.00 74.25 H new ATOM 0 HA2 GLY A 10 13.911 12.750 -3.646 1.00 20.43 H new ATOM 0 HA3 GLY A 10 15.550 13.072 -4.177 1.00 20.43 H new ATOM 116 N GLY A 11 14.549 14.555 -6.349 1.00 13.32 N ATOM 117 CA GLY A 11 14.176 15.781 -7.029 1.00 74.30 C ATOM 118 C GLY A 11 12.736 15.765 -7.506 1.00 1.42 C ATOM 119 O GLY A 11 12.010 16.743 -7.340 1.00 70.31 O ATOM 0 H GLY A 11 15.193 13.957 -6.867 1.00 13.32 H new ATOM 0 HA2 GLY A 11 14.323 16.625 -6.356 1.00 74.30 H new ATOM 0 HA3 GLY A 11 14.836 15.935 -7.882 1.00 74.30 H new ATOM 123 N GLU A 12 12.325 14.649 -8.101 1.00 24.43 N ATOM 124 CA GLU A 12 10.964 14.511 -8.607 1.00 42.13 C ATOM 125 C GLU A 12 9.951 14.586 -7.468 1.00 71.24 C ATOM 126 O GLU A 12 8.850 15.112 -7.635 1.00 14.22 O ATOM 127 CB GLU A 12 10.806 13.187 -9.357 1.00 64.02 C ATOM 128 CG GLU A 12 11.918 12.918 -10.358 1.00 62.04 C ATOM 129 CD GLU A 12 11.704 11.635 -11.136 1.00 22.02 C ATOM 130 OE1 GLU A 12 11.914 10.549 -10.557 1.00 12.11 O ATOM 131 OE2 GLU A 12 11.329 11.718 -12.324 1.00 12.45 O ATOM 0 H GLU A 12 12.914 13.829 -8.244 1.00 24.43 H new ATOM 0 HA GLU A 12 10.774 15.335 -9.295 1.00 42.13 H new ATOM 0 HB2 GLU A 12 10.774 12.371 -8.635 1.00 64.02 H new ATOM 0 HB3 GLU A 12 9.850 13.187 -9.880 1.00 64.02 H new ATOM 0 HG2 GLU A 12 11.985 13.754 -11.054 1.00 62.04 H new ATOM 0 HG3 GLU A 12 12.871 12.865 -9.831 1.00 62.04 H new ATOM 138 N LEU A 13 10.331 14.057 -6.310 1.00 65.32 N ATOM 139 CA LEU A 13 9.457 14.063 -5.143 1.00 74.03 C ATOM 140 C LEU A 13 9.022 15.484 -4.795 1.00 54.00 C ATOM 141 O LEU A 13 7.838 15.745 -4.578 1.00 63.23 O ATOM 142 CB LEU A 13 10.167 13.429 -3.946 1.00 52.12 C ATOM 143 CG LEU A 13 9.283 13.079 -2.748 1.00 71.42 C ATOM 144 CD1 LEU A 13 8.280 11.997 -3.123 1.00 60.44 C ATOM 145 CD2 LEU A 13 10.133 12.634 -1.568 1.00 64.24 C ATOM 0 H LEU A 13 11.239 13.619 -6.155 1.00 65.32 H new ATOM 0 HA LEU A 13 8.569 13.479 -5.383 1.00 74.03 H new ATOM 0 HB2 LEU A 13 10.663 12.519 -4.284 1.00 52.12 H new ATOM 0 HB3 LEU A 13 10.947 14.111 -3.609 1.00 52.12 H new ATOM 0 HG LEU A 13 8.732 13.972 -2.455 1.00 71.42 H new ATOM 0 HD11 LEU A 13 7.660 11.761 -2.259 1.00 60.44 H new ATOM 0 HD12 LEU A 13 7.648 12.353 -3.937 1.00 60.44 H new ATOM 0 HD13 LEU A 13 8.813 11.102 -3.443 1.00 60.44 H new ATOM 0 HD21 LEU A 13 9.486 12.389 -0.725 1.00 64.24 H new ATOM 0 HD22 LEU A 13 10.712 11.754 -1.848 1.00 64.24 H new ATOM 0 HD23 LEU A 13 10.810 13.439 -1.283 1.00 64.24 H new ATOM 157 N ASP A 14 9.985 16.397 -4.747 1.00 34.30 N ATOM 158 CA ASP A 14 9.701 17.792 -4.430 1.00 31.25 C ATOM 159 C ASP A 14 8.571 18.328 -5.302 1.00 25.25 C ATOM 160 O ASP A 14 7.590 18.877 -4.800 1.00 53.11 O ATOM 161 CB ASP A 14 10.956 18.645 -4.617 1.00 0.23 C ATOM 162 CG ASP A 14 11.822 18.684 -3.374 1.00 55.14 C ATOM 163 OD1 ASP A 14 12.317 17.614 -2.961 1.00 33.22 O ATOM 164 OD2 ASP A 14 12.003 19.784 -2.810 1.00 34.51 O ATOM 0 H ASP A 14 10.969 16.197 -4.924 1.00 34.30 H new ATOM 0 HA ASP A 14 9.387 17.846 -3.388 1.00 31.25 H new ATOM 0 HB2 ASP A 14 11.539 18.251 -5.450 1.00 0.23 H new ATOM 0 HB3 ASP A 14 10.664 19.661 -4.885 1.00 0.23 H new ATOM 169 N LYS A 15 8.716 18.168 -6.613 1.00 20.35 N ATOM 170 CA LYS A 15 7.709 18.636 -7.559 1.00 55.34 C ATOM 171 C LYS A 15 6.348 18.015 -7.255 1.00 62.11 C ATOM 172 O LYS A 15 5.341 18.717 -7.168 1.00 72.13 O ATOM 173 CB LYS A 15 8.126 18.298 -8.991 1.00 42.11 C ATOM 174 CG LYS A 15 8.704 19.479 -9.751 1.00 62.14 C ATOM 175 CD LYS A 15 10.138 19.761 -9.335 1.00 65.34 C ATOM 176 CE LYS A 15 10.960 20.299 -10.496 1.00 2.22 C ATOM 177 NZ LYS A 15 11.945 19.297 -10.989 1.00 2.51 N ATOM 0 H LYS A 15 9.522 17.717 -7.045 1.00 20.35 H new ATOM 0 HA LYS A 15 7.628 19.718 -7.458 1.00 55.34 H new ATOM 0 HB2 LYS A 15 8.864 17.496 -8.966 1.00 42.11 H new ATOM 0 HB3 LYS A 15 7.260 17.917 -9.532 1.00 42.11 H new ATOM 0 HG2 LYS A 15 8.668 19.277 -10.822 1.00 62.14 H new ATOM 0 HG3 LYS A 15 8.092 20.363 -9.572 1.00 62.14 H new ATOM 0 HD2 LYS A 15 10.146 20.482 -8.518 1.00 65.34 H new ATOM 0 HD3 LYS A 15 10.595 18.846 -8.957 1.00 65.34 H new ATOM 0 HE2 LYS A 15 10.294 20.585 -11.310 1.00 2.22 H new ATOM 0 HE3 LYS A 15 11.485 21.201 -10.182 1.00 2.22 H new ATOM 0 HZ1 LYS A 15 12.485 19.702 -11.780 1.00 2.51 H new ATOM 0 HZ2 LYS A 15 12.596 19.042 -10.219 1.00 2.51 H new ATOM 0 HZ3 LYS A 15 11.442 18.446 -11.313 1.00 2.51 H new ATOM 191 N TRP A 16 6.328 16.697 -7.094 1.00 54.12 N ATOM 192 CA TRP A 16 5.091 15.982 -6.798 1.00 53.03 C ATOM 193 C TRP A 16 4.354 16.629 -5.630 1.00 24.00 C ATOM 194 O TRP A 16 3.201 17.033 -5.762 1.00 72.45 O ATOM 195 CB TRP A 16 5.389 14.516 -6.480 1.00 32.33 C ATOM 196 CG TRP A 16 4.160 13.713 -6.175 1.00 32.41 C ATOM 197 CD1 TRP A 16 3.739 13.295 -4.944 1.00 21.32 C ATOM 198 CD2 TRP A 16 3.196 13.230 -7.117 1.00 50.44 C ATOM 199 NE1 TRP A 16 2.571 12.582 -5.065 1.00 62.22 N ATOM 200 CE2 TRP A 16 2.216 12.528 -6.387 1.00 43.11 C ATOM 201 CE3 TRP A 16 3.063 13.324 -8.505 1.00 64.12 C ATOM 202 CZ2 TRP A 16 1.122 11.924 -7.001 1.00 64.25 C ATOM 203 CZ3 TRP A 16 1.977 12.723 -9.112 1.00 62.02 C ATOM 204 CH2 TRP A 16 1.017 12.031 -8.360 1.00 23.31 C ATOM 0 H TRP A 16 7.153 16.102 -7.163 1.00 54.12 H new ATOM 0 HA TRP A 16 4.452 16.033 -7.679 1.00 53.03 H new ATOM 0 HB2 TRP A 16 5.908 14.066 -7.327 1.00 32.33 H new ATOM 0 HB3 TRP A 16 6.067 14.467 -5.628 1.00 32.33 H new ATOM 0 HD1 TRP A 16 4.249 13.496 -4.013 1.00 21.32 H new ATOM 0 HE1 TRP A 16 2.052 12.161 -4.295 1.00 62.22 H new ATOM 0 HE3 TRP A 16 3.796 13.857 -9.093 1.00 64.12 H new ATOM 0 HZ2 TRP A 16 0.382 11.390 -6.424 1.00 64.25 H new ATOM 0 HZ3 TRP A 16 1.866 12.787 -10.184 1.00 62.02 H new ATOM 0 HH2 TRP A 16 0.178 11.574 -8.864 1.00 23.31 H new ATOM 215 N GLU A 17 5.030 16.722 -4.489 1.00 53.41 N ATOM 216 CA GLU A 17 4.437 17.319 -3.298 1.00 61.13 C ATOM 217 C GLU A 17 4.023 18.764 -3.562 1.00 1.24 C ATOM 218 O GLU A 17 3.175 19.318 -2.862 1.00 12.52 O ATOM 219 CB GLU A 17 5.423 17.267 -2.129 1.00 12.14 C ATOM 220 CG GLU A 17 5.640 15.867 -1.579 1.00 4.40 C ATOM 221 CD GLU A 17 6.276 15.873 -0.203 1.00 60.24 C ATOM 222 OE1 GLU A 17 5.537 16.015 0.793 1.00 52.32 O ATOM 223 OE2 GLU A 17 7.515 15.736 -0.122 1.00 10.13 O ATOM 0 H GLU A 17 5.987 16.392 -4.364 1.00 53.41 H new ATOM 0 HA GLU A 17 3.547 16.745 -3.040 1.00 61.13 H new ATOM 0 HB2 GLU A 17 6.381 17.673 -2.454 1.00 12.14 H new ATOM 0 HB3 GLU A 17 5.059 17.911 -1.328 1.00 12.14 H new ATOM 0 HG2 GLU A 17 4.683 15.347 -1.531 1.00 4.40 H new ATOM 0 HG3 GLU A 17 6.273 15.305 -2.265 1.00 4.40 H new ATOM 230 N LYS A 18 4.628 19.370 -4.579 1.00 13.13 N ATOM 231 CA LYS A 18 4.322 20.750 -4.939 1.00 40.30 C ATOM 232 C LYS A 18 2.936 20.854 -5.566 1.00 22.30 C ATOM 233 O LYS A 18 2.013 21.408 -4.966 1.00 3.24 O ATOM 234 CB LYS A 18 5.375 21.290 -5.910 1.00 51.42 C ATOM 235 CG LYS A 18 5.499 22.804 -5.893 1.00 51.31 C ATOM 236 CD LYS A 18 6.952 23.244 -5.845 1.00 2.44 C ATOM 237 CE LYS A 18 7.492 23.231 -4.423 1.00 34.31 C ATOM 238 NZ LYS A 18 8.198 21.958 -4.109 1.00 34.40 N ATOM 0 H LYS A 18 5.333 18.927 -5.168 1.00 13.13 H new ATOM 0 HA LYS A 18 4.335 21.349 -4.028 1.00 40.30 H new ATOM 0 HB2 LYS A 18 6.342 20.852 -5.664 1.00 51.42 H new ATOM 0 HB3 LYS A 18 5.126 20.966 -6.920 1.00 51.42 H new ATOM 0 HG2 LYS A 18 5.021 23.219 -6.781 1.00 51.31 H new ATOM 0 HG3 LYS A 18 4.968 23.204 -5.029 1.00 51.31 H new ATOM 0 HD2 LYS A 18 7.554 22.584 -6.470 1.00 2.44 H new ATOM 0 HD3 LYS A 18 7.043 24.247 -6.261 1.00 2.44 H new ATOM 0 HE2 LYS A 18 8.176 24.069 -4.287 1.00 34.31 H new ATOM 0 HE3 LYS A 18 6.670 23.373 -3.721 1.00 34.31 H new ATOM 0 HZ1 LYS A 18 8.828 22.102 -3.294 1.00 34.40 H new ATOM 0 HZ2 LYS A 18 7.500 21.221 -3.881 1.00 34.40 H new ATOM 0 HZ3 LYS A 18 8.760 21.660 -4.932 1.00 34.40 H new ATOM 252 N ILE A 19 2.795 20.319 -6.774 1.00 25.42 N ATOM 253 CA ILE A 19 1.521 20.352 -7.480 1.00 51.41 C ATOM 254 C ILE A 19 0.367 20.005 -6.546 1.00 32.33 C ATOM 255 O ILE A 19 0.511 19.179 -5.645 1.00 73.53 O ATOM 256 CB ILE A 19 1.513 19.376 -8.672 1.00 34.03 C ATOM 257 CG1 ILE A 19 2.627 19.732 -9.658 1.00 42.11 C ATOM 258 CG2 ILE A 19 0.159 19.398 -9.365 1.00 74.42 C ATOM 259 CD1 ILE A 19 2.959 18.616 -10.623 1.00 10.31 C ATOM 0 H ILE A 19 3.548 19.857 -7.284 1.00 25.42 H new ATOM 0 HA ILE A 19 1.392 21.368 -7.852 1.00 51.41 H new ATOM 0 HB ILE A 19 1.692 18.368 -8.298 1.00 34.03 H new ATOM 0 HG12 ILE A 19 2.331 20.615 -10.224 1.00 42.11 H new ATOM 0 HG13 ILE A 19 3.525 19.997 -9.099 1.00 42.11 H new ATOM 0 HG21 ILE A 19 0.169 18.703 -10.205 1.00 74.42 H new ATOM 0 HG22 ILE A 19 -0.616 19.102 -8.658 1.00 74.42 H new ATOM 0 HG23 ILE A 19 -0.047 20.405 -9.729 1.00 74.42 H new ATOM 0 HD11 ILE A 19 3.757 18.939 -11.292 1.00 10.31 H new ATOM 0 HD12 ILE A 19 3.286 17.738 -10.066 1.00 10.31 H new ATOM 0 HD13 ILE A 19 2.074 18.366 -11.208 1.00 10.31 H new ATOM 271 N ARG A 20 -0.780 20.640 -6.769 1.00 64.15 N ATOM 272 CA ARG A 20 -1.959 20.399 -5.947 1.00 11.24 C ATOM 273 C ARG A 20 -3.009 19.609 -6.723 1.00 11.25 C ATOM 274 O ARG A 20 -2.928 19.481 -7.946 1.00 31.43 O ATOM 275 CB ARG A 20 -2.553 21.725 -5.468 1.00 14.42 C ATOM 276 CG ARG A 20 -1.746 22.391 -4.367 1.00 32.31 C ATOM 277 CD ARG A 20 -1.280 23.779 -4.781 1.00 71.40 C ATOM 278 NE ARG A 20 -1.112 24.665 -3.632 1.00 23.23 N ATOM 279 CZ ARG A 20 -0.040 24.656 -2.848 1.00 53.12 C ATOM 280 NH1 ARG A 20 0.953 23.811 -3.087 1.00 31.01 N ATOM 281 NH2 ARG A 20 0.040 25.492 -1.821 1.00 54.04 N ATOM 0 H ARG A 20 -0.917 21.325 -7.512 1.00 64.15 H new ATOM 0 HA ARG A 20 -1.654 19.812 -5.081 1.00 11.24 H new ATOM 0 HB2 ARG A 20 -2.628 22.407 -6.315 1.00 14.42 H new ATOM 0 HB3 ARG A 20 -3.567 21.550 -5.109 1.00 14.42 H new ATOM 0 HG2 ARG A 20 -2.351 22.463 -3.463 1.00 32.31 H new ATOM 0 HG3 ARG A 20 -0.882 21.773 -4.123 1.00 32.31 H new ATOM 0 HD2 ARG A 20 -0.335 23.699 -5.318 1.00 71.40 H new ATOM 0 HD3 ARG A 20 -2.003 24.213 -5.471 1.00 71.40 H new ATOM 0 HE ARG A 20 -1.859 25.327 -3.420 1.00 23.23 H new ATOM 0 HH11 ARG A 20 0.895 23.166 -3.875 1.00 31.01 H new ATOM 0 HH12 ARG A 20 1.775 23.806 -2.483 1.00 31.01 H new ATOM 0 HH21 ARG A 20 -0.722 26.143 -1.633 1.00 54.04 H new ATOM 0 HH22 ARG A 20 0.864 25.484 -1.220 1.00 54.04 H new ATOM 295 N LEU A 21 -3.995 19.081 -6.006 1.00 1.21 N ATOM 296 CA LEU A 21 -5.061 18.302 -6.626 1.00 23.55 C ATOM 297 C LEU A 21 -6.065 19.215 -7.323 1.00 53.41 C ATOM 298 O LEU A 21 -6.504 18.933 -8.439 1.00 60.13 O ATOM 299 CB LEU A 21 -5.774 17.449 -5.575 1.00 13.15 C ATOM 300 CG LEU A 21 -4.901 16.915 -4.440 1.00 4.41 C ATOM 301 CD1 LEU A 21 -5.711 16.012 -3.523 1.00 21.12 C ATOM 302 CD2 LEU A 21 -3.698 16.168 -4.998 1.00 2.13 C ATOM 0 H LEU A 21 -4.078 19.178 -4.994 1.00 1.21 H new ATOM 0 HA LEU A 21 -4.613 17.647 -7.373 1.00 23.55 H new ATOM 0 HB2 LEU A 21 -6.578 18.042 -5.140 1.00 13.15 H new ATOM 0 HB3 LEU A 21 -6.239 16.601 -6.078 1.00 13.15 H new ATOM 0 HG LEU A 21 -4.540 17.762 -3.857 1.00 4.41 H new ATOM 0 HD11 LEU A 21 -5.073 15.641 -2.721 1.00 21.12 H new ATOM 0 HD12 LEU A 21 -6.540 16.577 -3.096 1.00 21.12 H new ATOM 0 HD13 LEU A 21 -6.102 15.170 -4.094 1.00 21.12 H new ATOM 0 HD21 LEU A 21 -3.088 15.795 -4.175 1.00 2.13 H new ATOM 0 HD22 LEU A 21 -4.040 15.330 -5.605 1.00 2.13 H new ATOM 0 HD23 LEU A 21 -3.104 16.843 -5.613 1.00 2.13 H new ATOM 314 N ARG A 22 -6.424 20.308 -6.660 1.00 65.42 N ATOM 315 CA ARG A 22 -7.375 21.263 -7.216 1.00 30.01 C ATOM 316 C ARG A 22 -6.682 22.573 -7.580 1.00 51.03 C ATOM 317 O ARG A 22 -5.641 22.927 -7.027 1.00 2.31 O ATOM 318 CB ARG A 22 -8.504 21.531 -6.219 1.00 53.30 C ATOM 319 CG ARG A 22 -9.811 20.843 -6.579 1.00 52.13 C ATOM 320 CD ARG A 22 -11.005 21.751 -6.330 1.00 55.44 C ATOM 321 NE ARG A 22 -12.115 21.036 -5.703 1.00 24.43 N ATOM 322 CZ ARG A 22 -12.177 20.770 -4.403 1.00 22.02 C ATOM 323 NH1 ARG A 22 -11.198 21.157 -3.597 1.00 62.14 N ATOM 324 NH2 ARG A 22 -13.219 20.116 -3.908 1.00 12.43 N ATOM 0 H ARG A 22 -6.070 20.555 -5.736 1.00 65.42 H new ATOM 0 HA ARG A 22 -7.796 20.831 -8.124 1.00 30.01 H new ATOM 0 HB2 ARG A 22 -8.189 21.200 -5.229 1.00 53.30 H new ATOM 0 HB3 ARG A 22 -8.674 22.606 -6.156 1.00 53.30 H new ATOM 0 HG2 ARG A 22 -9.791 20.546 -7.628 1.00 52.13 H new ATOM 0 HG3 ARG A 22 -9.917 19.931 -5.992 1.00 52.13 H new ATOM 0 HD2 ARG A 22 -10.702 22.581 -5.692 1.00 55.44 H new ATOM 0 HD3 ARG A 22 -11.338 22.180 -7.275 1.00 55.44 H new ATOM 0 HE ARG A 22 -12.884 20.724 -6.296 1.00 24.43 H new ATOM 0 HH11 ARG A 22 -10.395 21.660 -3.975 1.00 62.14 H new ATOM 0 HH12 ARG A 22 -11.248 20.952 -2.599 1.00 62.14 H new ATOM 0 HH21 ARG A 22 -13.974 19.817 -4.526 1.00 12.43 H new ATOM 0 HH22 ARG A 22 -13.266 19.912 -2.910 1.00 12.43 H new ATOM 338 N PRO A 23 -7.273 23.310 -8.531 1.00 23.14 N ATOM 339 CA PRO A 23 -6.730 24.592 -8.990 1.00 23.22 C ATOM 340 C PRO A 23 -6.849 25.685 -7.933 1.00 41.51 C ATOM 341 O PRO A 23 -5.978 26.544 -7.813 1.00 22.21 O ATOM 342 CB PRO A 23 -7.596 24.929 -10.207 1.00 30.44 C ATOM 343 CG PRO A 23 -8.879 24.210 -9.970 1.00 5.01 C ATOM 344 CD PRO A 23 -8.517 22.950 -9.233 1.00 23.34 C ATOM 0 HA PRO A 23 -5.665 24.527 -9.212 1.00 23.22 H new ATOM 0 HB2 PRO A 23 -7.755 26.004 -10.294 1.00 30.44 H new ATOM 0 HB3 PRO A 23 -7.123 24.600 -11.133 1.00 30.44 H new ATOM 0 HG2 PRO A 23 -9.566 24.821 -9.385 1.00 5.01 H new ATOM 0 HG3 PRO A 23 -9.378 23.982 -10.912 1.00 5.01 H new ATOM 0 HD2 PRO A 23 -9.300 22.653 -8.536 1.00 23.34 H new ATOM 0 HD3 PRO A 23 -8.365 22.114 -9.916 1.00 23.34 H new ATOM 352 N GLY A 24 -7.935 25.643 -7.167 1.00 32.40 N ATOM 353 CA GLY A 24 -8.147 26.635 -6.129 1.00 73.44 C ATOM 354 C GLY A 24 -8.220 26.020 -4.746 1.00 70.44 C ATOM 355 O GLY A 24 -9.058 26.404 -3.931 1.00 2.20 O ATOM 0 H GLY A 24 -8.671 24.941 -7.246 1.00 32.40 H new ATOM 0 HA2 GLY A 24 -7.337 27.364 -6.157 1.00 73.44 H new ATOM 0 HA3 GLY A 24 -9.071 27.177 -6.332 1.00 73.44 H new ATOM 359 N GLY A 25 -7.338 25.061 -4.479 1.00 52.21 N ATOM 360 CA GLY A 25 -7.324 24.405 -3.184 1.00 2.20 C ATOM 361 C GLY A 25 -6.024 24.627 -2.436 1.00 34.44 C ATOM 362 O GLY A 25 -5.058 25.145 -2.996 1.00 22.32 O ATOM 0 H GLY A 25 -6.633 24.727 -5.136 1.00 52.21 H new ATOM 0 HA2 GLY A 25 -8.154 24.777 -2.583 1.00 2.20 H new ATOM 0 HA3 GLY A 25 -7.483 23.335 -3.320 1.00 2.20 H new ATOM 366 N LYS A 26 -6.000 24.236 -1.167 1.00 32.22 N ATOM 367 CA LYS A 26 -4.810 24.394 -0.339 1.00 33.44 C ATOM 368 C LYS A 26 -4.150 23.046 -0.071 1.00 12.31 C ATOM 369 O LYS A 26 -3.177 22.957 0.677 1.00 43.33 O ATOM 370 CB LYS A 26 -5.171 25.070 0.986 1.00 11.35 C ATOM 371 CG LYS A 26 -5.877 24.149 1.965 1.00 20.01 C ATOM 372 CD LYS A 26 -4.906 23.563 2.977 1.00 73.44 C ATOM 373 CE LYS A 26 -5.165 24.104 4.375 1.00 15.30 C ATOM 374 NZ LYS A 26 -4.163 23.606 5.357 1.00 40.02 N ATOM 0 H LYS A 26 -6.792 23.807 -0.689 1.00 32.22 H new ATOM 0 HA LYS A 26 -4.103 25.023 -0.880 1.00 33.44 H new ATOM 0 HB2 LYS A 26 -4.261 25.451 1.450 1.00 11.35 H new ATOM 0 HB3 LYS A 26 -5.810 25.930 0.784 1.00 11.35 H new ATOM 0 HG2 LYS A 26 -6.659 24.701 2.487 1.00 20.01 H new ATOM 0 HG3 LYS A 26 -6.366 23.342 1.419 1.00 20.01 H new ATOM 0 HD2 LYS A 26 -4.997 22.477 2.983 1.00 73.44 H new ATOM 0 HD3 LYS A 26 -3.884 23.796 2.679 1.00 73.44 H new ATOM 0 HE2 LYS A 26 -5.141 25.194 4.353 1.00 15.30 H new ATOM 0 HE3 LYS A 26 -6.165 23.813 4.697 1.00 15.30 H new ATOM 0 HZ1 LYS A 26 -4.374 23.997 6.297 1.00 40.02 H new ATOM 0 HZ2 LYS A 26 -4.203 22.568 5.397 1.00 40.02 H new ATOM 0 HZ3 LYS A 26 -3.211 23.905 5.064 1.00 40.02 H new ATOM 388 N LYS A 27 -4.684 21.998 -0.689 1.00 53.12 N ATOM 389 CA LYS A 27 -4.146 20.653 -0.520 1.00 70.55 C ATOM 390 C LYS A 27 -3.180 20.308 -1.648 1.00 5.34 C ATOM 391 O LYS A 27 -3.456 20.574 -2.817 1.00 54.32 O ATOM 392 CB LYS A 27 -5.282 19.629 -0.475 1.00 44.31 C ATOM 393 CG LYS A 27 -6.119 19.704 0.790 1.00 12.41 C ATOM 394 CD LYS A 27 -5.437 19.001 1.952 1.00 15.13 C ATOM 395 CE LYS A 27 -6.325 17.918 2.546 1.00 0.32 C ATOM 396 NZ LYS A 27 -7.078 18.405 3.735 1.00 4.05 N ATOM 0 H LYS A 27 -5.490 22.054 -1.312 1.00 53.12 H new ATOM 0 HA LYS A 27 -3.601 20.623 0.423 1.00 70.55 H new ATOM 0 HB2 LYS A 27 -5.930 19.779 -1.339 1.00 44.31 H new ATOM 0 HB3 LYS A 27 -4.861 18.628 -0.563 1.00 44.31 H new ATOM 0 HG2 LYS A 27 -6.297 20.748 1.049 1.00 12.41 H new ATOM 0 HG3 LYS A 27 -7.093 19.250 0.610 1.00 12.41 H new ATOM 0 HD2 LYS A 27 -4.500 18.559 1.612 1.00 15.13 H new ATOM 0 HD3 LYS A 27 -5.185 19.730 2.722 1.00 15.13 H new ATOM 0 HE2 LYS A 27 -7.028 17.570 1.789 1.00 0.32 H new ATOM 0 HE3 LYS A 27 -5.713 17.062 2.830 1.00 0.32 H new ATOM 0 HZ1 LYS A 27 -7.671 17.637 4.109 1.00 4.05 H new ATOM 0 HZ2 LYS A 27 -6.408 18.714 4.468 1.00 4.05 H new ATOM 0 HZ3 LYS A 27 -7.682 19.205 3.459 1.00 4.05 H new ATOM 410 N GLN A 28 -2.046 19.713 -1.289 1.00 74.42 N ATOM 411 CA GLN A 28 -1.040 19.332 -2.273 1.00 41.41 C ATOM 412 C GLN A 28 -1.035 17.821 -2.489 1.00 62.35 C ATOM 413 O GLN A 28 -1.798 17.091 -1.856 1.00 61.25 O ATOM 414 CB GLN A 28 0.346 19.799 -1.825 1.00 41.43 C ATOM 415 CG GLN A 28 0.343 21.173 -1.174 1.00 31.01 C ATOM 416 CD GLN A 28 0.479 21.105 0.335 1.00 4.12 C ATOM 417 OE1 GLN A 28 1.588 21.045 0.868 1.00 3.15 O ATOM 418 NE2 GLN A 28 -0.651 21.114 1.033 1.00 22.44 N ATOM 0 H GLN A 28 -1.802 19.485 -0.325 1.00 74.42 H new ATOM 0 HA GLN A 28 -1.291 19.816 -3.217 1.00 41.41 H new ATOM 0 HB2 GLN A 28 0.755 19.074 -1.122 1.00 41.43 H new ATOM 0 HB3 GLN A 28 1.011 19.816 -2.688 1.00 41.43 H new ATOM 0 HG2 GLN A 28 1.161 21.766 -1.582 1.00 31.01 H new ATOM 0 HG3 GLN A 28 -0.583 21.689 -1.429 1.00 31.01 H new ATOM 0 HE21 GLN A 28 -1.548 21.165 0.550 1.00 22.44 H new ATOM 0 HE22 GLN A 28 -0.622 21.070 2.052 1.00 22.44 H new ATOM 427 N TYR A 29 -0.170 17.360 -3.385 1.00 52.45 N ATOM 428 CA TYR A 29 -0.067 15.937 -3.686 1.00 53.21 C ATOM 429 C TYR A 29 0.804 15.224 -2.657 1.00 13.03 C ATOM 430 O TYR A 29 1.743 15.804 -2.111 1.00 21.40 O ATOM 431 CB TYR A 29 0.508 15.731 -5.089 1.00 74.11 C ATOM 432 CG TYR A 29 -0.541 15.424 -6.134 1.00 41.31 C ATOM 433 CD1 TYR A 29 -1.182 14.191 -6.161 1.00 33.14 C ATOM 434 CD2 TYR A 29 -0.891 16.366 -7.093 1.00 10.33 C ATOM 435 CE1 TYR A 29 -2.140 13.906 -7.115 1.00 64.21 C ATOM 436 CE2 TYR A 29 -1.849 16.089 -8.050 1.00 64.20 C ATOM 437 CZ TYR A 29 -2.470 14.858 -8.056 1.00 31.23 C ATOM 438 OH TYR A 29 -3.424 14.579 -9.008 1.00 14.22 O ATOM 0 H TYR A 29 0.470 17.951 -3.916 1.00 52.45 H new ATOM 0 HA TYR A 29 -1.069 15.510 -3.645 1.00 53.21 H new ATOM 0 HB2 TYR A 29 1.052 16.628 -5.385 1.00 74.11 H new ATOM 0 HB3 TYR A 29 1.230 14.915 -5.060 1.00 74.11 H new ATOM 0 HD1 TYR A 29 -0.927 13.444 -5.424 1.00 33.14 H new ATOM 0 HD2 TYR A 29 -0.406 17.331 -7.091 1.00 10.33 H new ATOM 0 HE1 TYR A 29 -2.628 12.942 -7.123 1.00 64.21 H new ATOM 0 HE2 TYR A 29 -2.110 16.832 -8.789 1.00 64.20 H new ATOM 0 HH TYR A 29 -4.317 14.688 -8.618 1.00 14.22 H new ATOM 448 N LYS A 30 0.486 13.960 -2.397 1.00 25.43 N ATOM 449 CA LYS A 30 1.240 13.164 -1.436 1.00 52.31 C ATOM 450 C LYS A 30 1.398 11.727 -1.923 1.00 20.43 C ATOM 451 O LYS A 30 0.747 11.312 -2.883 1.00 3.32 O ATOM 452 CB LYS A 30 0.542 13.177 -0.074 1.00 43.12 C ATOM 453 CG LYS A 30 0.693 14.491 0.674 1.00 4.21 C ATOM 454 CD LYS A 30 0.213 14.373 2.111 1.00 4.40 C ATOM 455 CE LYS A 30 1.034 15.246 3.046 1.00 44.45 C ATOM 456 NZ LYS A 30 1.725 14.443 4.093 1.00 13.42 N ATOM 0 H LYS A 30 -0.289 13.465 -2.839 1.00 25.43 H new ATOM 0 HA LYS A 30 2.231 13.606 -1.335 1.00 52.31 H new ATOM 0 HB2 LYS A 30 -0.519 12.969 -0.217 1.00 43.12 H new ATOM 0 HB3 LYS A 30 0.945 12.371 0.539 1.00 43.12 H new ATOM 0 HG2 LYS A 30 1.739 14.799 0.663 1.00 4.21 H new ATOM 0 HG3 LYS A 30 0.126 15.269 0.163 1.00 4.21 H new ATOM 0 HD2 LYS A 30 -0.836 14.661 2.170 1.00 4.40 H new ATOM 0 HD3 LYS A 30 0.276 13.333 2.433 1.00 4.40 H new ATOM 0 HE2 LYS A 30 1.773 15.802 2.468 1.00 44.45 H new ATOM 0 HE3 LYS A 30 0.384 15.980 3.522 1.00 44.45 H new ATOM 0 HZ1 LYS A 30 2.274 15.075 4.710 1.00 13.42 H new ATOM 0 HZ2 LYS A 30 1.019 13.932 4.661 1.00 13.42 H new ATOM 0 HZ3 LYS A 30 2.365 13.760 3.640 1.00 13.42 H new ATOM 470 N LEU A 31 2.264 10.973 -1.257 1.00 10.53 N ATOM 471 CA LEU A 31 2.506 9.581 -1.622 1.00 21.33 C ATOM 472 C LEU A 31 1.196 8.807 -1.716 1.00 30.33 C ATOM 473 O LEU A 31 1.020 7.967 -2.599 1.00 30.23 O ATOM 474 CB LEU A 31 3.431 8.918 -0.599 1.00 23.15 C ATOM 475 CG LEU A 31 4.930 9.015 -0.889 1.00 54.33 C ATOM 476 CD1 LEU A 31 5.730 8.904 0.400 1.00 55.44 C ATOM 477 CD2 LEU A 31 5.353 7.936 -1.875 1.00 14.15 C ATOM 0 H LEU A 31 2.811 11.301 -0.461 1.00 10.53 H new ATOM 0 HA LEU A 31 2.986 9.566 -2.600 1.00 21.33 H new ATOM 0 HB2 LEU A 31 3.240 9.364 0.377 1.00 23.15 H new ATOM 0 HB3 LEU A 31 3.163 7.864 -0.525 1.00 23.15 H new ATOM 0 HG LEU A 31 5.132 9.988 -1.337 1.00 54.33 H new ATOM 0 HD11 LEU A 31 6.794 8.975 0.175 1.00 55.44 H new ATOM 0 HD12 LEU A 31 5.447 9.712 1.075 1.00 55.44 H new ATOM 0 HD13 LEU A 31 5.523 7.945 0.875 1.00 55.44 H new ATOM 0 HD21 LEU A 31 6.422 8.020 -2.070 1.00 14.15 H new ATOM 0 HD22 LEU A 31 5.137 6.954 -1.454 1.00 14.15 H new ATOM 0 HD23 LEU A 31 4.803 8.060 -2.808 1.00 14.15 H new ATOM 489 N LYS A 32 0.277 9.096 -0.802 1.00 73.03 N ATOM 490 CA LYS A 32 -1.020 8.431 -0.782 1.00 11.41 C ATOM 491 C LYS A 32 -1.627 8.380 -2.180 1.00 21.12 C ATOM 492 O LYS A 32 -2.324 7.428 -2.532 1.00 53.32 O ATOM 493 CB LYS A 32 -1.974 9.153 0.173 1.00 22.24 C ATOM 494 CG LYS A 32 -1.791 8.759 1.629 1.00 13.15 C ATOM 495 CD LYS A 32 -2.359 9.811 2.567 1.00 24.04 C ATOM 496 CE LYS A 32 -3.776 9.465 3.000 1.00 21.23 C ATOM 497 NZ LYS A 32 -4.680 10.646 2.930 1.00 13.31 N ATOM 0 H LYS A 32 0.407 9.788 -0.064 1.00 73.03 H new ATOM 0 HA LYS A 32 -0.870 7.410 -0.432 1.00 11.41 H new ATOM 0 HB2 LYS A 32 -1.827 10.229 0.075 1.00 22.24 H new ATOM 0 HB3 LYS A 32 -3.001 8.943 -0.125 1.00 22.24 H new ATOM 0 HG2 LYS A 32 -2.282 7.803 1.813 1.00 13.15 H new ATOM 0 HG3 LYS A 32 -0.731 8.618 1.838 1.00 13.15 H new ATOM 0 HD2 LYS A 32 -1.720 9.899 3.446 1.00 24.04 H new ATOM 0 HD3 LYS A 32 -2.356 10.782 2.071 1.00 24.04 H new ATOM 0 HE2 LYS A 32 -4.166 8.670 2.364 1.00 21.23 H new ATOM 0 HE3 LYS A 32 -3.761 9.079 4.019 1.00 21.23 H new ATOM 0 HZ1 LYS A 32 -5.636 10.370 3.233 1.00 13.31 H new ATOM 0 HZ2 LYS A 32 -4.322 11.395 3.556 1.00 13.31 H new ATOM 0 HZ3 LYS A 32 -4.715 10.999 1.952 1.00 13.31 H new ATOM 511 N HIS A 33 -1.356 9.411 -2.976 1.00 41.13 N ATOM 512 CA HIS A 33 -1.874 9.482 -4.338 1.00 23.15 C ATOM 513 C HIS A 33 -1.112 8.534 -5.258 1.00 11.31 C ATOM 514 O HIS A 33 -1.752 7.977 -6.152 1.00 45.31 O ATOM 515 CB HIS A 33 -1.776 10.913 -4.869 1.00 22.50 C ATOM 516 CG HIS A 33 -2.573 11.902 -4.075 1.00 20.30 C ATOM 517 ND1 HIS A 33 -1.996 12.856 -3.263 1.00 12.11 N ATOM 518 CD2 HIS A 33 -3.911 12.082 -3.972 1.00 40.15 C ATOM 519 CE1 HIS A 33 -2.945 13.579 -2.695 1.00 42.02 C ATOM 520 NE2 HIS A 33 -4.116 13.130 -3.109 1.00 53.30 N ATOM 0 H HIS A 33 -0.781 10.208 -2.701 1.00 41.13 H new ATOM 0 HA HIS A 33 -2.921 9.180 -4.319 1.00 23.15 H new ATOM 0 HB2 HIS A 33 -0.730 11.220 -4.872 1.00 22.50 H new ATOM 0 HB3 HIS A 33 -2.116 10.932 -5.904 1.00 22.50 H new ATOM 0 HD2 HIS A 33 -4.675 11.508 -4.475 1.00 40.15 H new ATOM 0 HE1 HIS A 33 -2.789 14.398 -2.009 1.00 42.02 H new ATOM 0 HE2 HIS A 33 -5.025 13.501 -2.833 1.00 53.30 H new ATOM 528 N ILE A 34 0.189 8.340 -5.072 1.00 22.13 N ATOM 529 CA ILE A 34 0.958 7.442 -5.926 1.00 72.11 C ATOM 530 C ILE A 34 0.784 5.991 -5.492 1.00 4.24 C ATOM 531 O ILE A 34 0.442 5.127 -6.301 1.00 63.32 O ATOM 532 CB ILE A 34 2.457 7.796 -5.909 1.00 31.14 C ATOM 533 CG1 ILE A 34 2.652 9.297 -6.135 1.00 14.22 C ATOM 534 CG2 ILE A 34 3.202 6.995 -6.967 1.00 13.41 C ATOM 535 CD1 ILE A 34 4.091 9.744 -6.015 1.00 11.33 C ATOM 0 H ILE A 34 0.733 8.792 -4.338 1.00 22.13 H new ATOM 0 HA ILE A 34 0.576 7.564 -6.940 1.00 72.11 H new ATOM 0 HB ILE A 34 2.865 7.539 -4.931 1.00 31.14 H new ATOM 0 HG12 ILE A 34 2.280 9.558 -7.126 1.00 14.22 H new ATOM 0 HG13 ILE A 34 2.048 9.846 -5.413 1.00 14.22 H new ATOM 0 HG21 ILE A 34 4.260 7.256 -6.943 1.00 13.41 H new ATOM 0 HG22 ILE A 34 3.086 5.930 -6.766 1.00 13.41 H new ATOM 0 HG23 ILE A 34 2.794 7.225 -7.951 1.00 13.41 H new ATOM 0 HD11 ILE A 34 4.154 10.818 -6.187 1.00 11.33 H new ATOM 0 HD12 ILE A 34 4.461 9.514 -5.016 1.00 11.33 H new ATOM 0 HD13 ILE A 34 4.697 9.222 -6.755 1.00 11.33 H new ATOM 547 N VAL A 35 1.023 5.729 -4.211 1.00 14.42 N ATOM 548 CA VAL A 35 0.890 4.381 -3.669 1.00 34.42 C ATOM 549 C VAL A 35 -0.448 3.761 -4.058 1.00 5.00 C ATOM 550 O VAL A 35 -0.534 2.561 -4.320 1.00 65.14 O ATOM 551 CB VAL A 35 1.017 4.379 -2.134 1.00 10.31 C ATOM 552 CG1 VAL A 35 0.896 2.963 -1.590 1.00 22.44 C ATOM 553 CG2 VAL A 35 2.332 5.013 -1.708 1.00 44.24 C ATOM 0 H VAL A 35 1.310 6.432 -3.529 1.00 14.42 H new ATOM 0 HA VAL A 35 1.699 3.788 -4.095 1.00 34.42 H new ATOM 0 HB VAL A 35 0.203 4.973 -1.718 1.00 10.31 H new ATOM 0 HG11 VAL A 35 0.988 2.981 -0.504 1.00 22.44 H new ATOM 0 HG12 VAL A 35 -0.074 2.549 -1.865 1.00 22.44 H new ATOM 0 HG13 VAL A 35 1.687 2.343 -2.011 1.00 22.44 H new ATOM 0 HG21 VAL A 35 2.405 5.003 -0.621 1.00 44.24 H new ATOM 0 HG22 VAL A 35 3.162 4.449 -2.133 1.00 44.24 H new ATOM 0 HG23 VAL A 35 2.372 6.042 -2.065 1.00 44.24 H new ATOM 563 N TRP A 36 -1.486 4.586 -4.096 1.00 73.44 N ATOM 564 CA TRP A 36 -2.821 4.118 -4.454 1.00 21.52 C ATOM 565 C TRP A 36 -2.897 3.772 -5.938 1.00 65.42 C ATOM 566 O TRP A 36 -3.459 2.745 -6.317 1.00 23.20 O ATOM 567 CB TRP A 36 -3.866 5.182 -4.112 1.00 22.43 C ATOM 568 CG TRP A 36 -5.257 4.801 -4.519 1.00 12.10 C ATOM 569 CD1 TRP A 36 -6.087 3.926 -3.879 1.00 44.20 C ATOM 570 CD2 TRP A 36 -5.980 5.282 -5.658 1.00 4.44 C ATOM 571 NE1 TRP A 36 -7.282 3.833 -4.551 1.00 41.41 N ATOM 572 CE2 TRP A 36 -7.241 4.655 -5.646 1.00 63.31 C ATOM 573 CE3 TRP A 36 -5.684 6.181 -6.686 1.00 42.50 C ATOM 574 CZ2 TRP A 36 -8.202 4.900 -6.622 1.00 32.04 C ATOM 575 CZ3 TRP A 36 -6.639 6.422 -7.654 1.00 24.04 C ATOM 576 CH2 TRP A 36 -7.886 5.785 -7.617 1.00 41.10 C ATOM 0 H TRP A 36 -1.431 5.582 -3.884 1.00 73.44 H new ATOM 0 HA TRP A 36 -3.029 3.216 -3.878 1.00 21.52 H new ATOM 0 HB2 TRP A 36 -3.847 5.367 -3.038 1.00 22.43 H new ATOM 0 HB3 TRP A 36 -3.595 6.117 -4.602 1.00 22.43 H new ATOM 0 HD1 TRP A 36 -5.840 3.386 -2.977 1.00 44.20 H new ATOM 0 HE1 TRP A 36 -8.071 3.247 -4.279 1.00 41.41 H new ATOM 0 HE3 TRP A 36 -4.726 6.678 -6.723 1.00 42.50 H new ATOM 0 HZ2 TRP A 36 -9.164 4.409 -6.595 1.00 32.04 H new ATOM 0 HZ3 TRP A 36 -6.420 7.114 -8.454 1.00 24.04 H new ATOM 0 HH2 TRP A 36 -8.612 5.996 -8.388 1.00 41.10 H new ATOM 587 N ALA A 37 -2.327 4.637 -6.771 1.00 0.15 N ATOM 588 CA ALA A 37 -2.328 4.420 -8.214 1.00 73.33 C ATOM 589 C ALA A 37 -1.562 3.154 -8.579 1.00 11.13 C ATOM 590 O ALA A 37 -2.014 2.359 -9.403 1.00 70.42 O ATOM 591 CB ALA A 37 -1.734 5.625 -8.928 1.00 31.15 C ATOM 0 H ALA A 37 -1.859 5.493 -6.473 1.00 0.15 H new ATOM 0 HA ALA A 37 -3.361 4.293 -8.538 1.00 73.33 H new ATOM 0 HB1 ALA A 37 -1.741 5.450 -10.004 1.00 31.15 H new ATOM 0 HB2 ALA A 37 -2.327 6.511 -8.701 1.00 31.15 H new ATOM 0 HB3 ALA A 37 -0.709 5.778 -8.592 1.00 31.15 H new ATOM 597 N SER A 38 -0.398 2.973 -7.962 1.00 53.21 N ATOM 598 CA SER A 38 0.433 1.804 -8.226 1.00 24.55 C ATOM 599 C SER A 38 -0.260 0.527 -7.763 1.00 35.34 C ATOM 600 O SER A 38 -0.051 -0.546 -8.329 1.00 64.41 O ATOM 601 CB SER A 38 1.786 1.946 -7.525 1.00 20.43 C ATOM 602 OG SER A 38 2.284 0.684 -7.118 1.00 10.13 O ATOM 0 H SER A 38 -0.010 3.621 -7.276 1.00 53.21 H new ATOM 0 HA SER A 38 0.593 1.739 -9.302 1.00 24.55 H new ATOM 0 HB2 SER A 38 2.499 2.422 -8.198 1.00 20.43 H new ATOM 0 HB3 SER A 38 1.683 2.597 -6.657 1.00 20.43 H new ATOM 0 HG SER A 38 3.150 0.802 -6.674 1.00 10.13 H new ATOM 608 N ARG A 39 -1.088 0.652 -6.730 1.00 5.14 N ATOM 609 CA ARG A 39 -1.812 -0.492 -6.190 1.00 11.03 C ATOM 610 C ARG A 39 -3.034 -0.816 -7.045 1.00 22.41 C ATOM 611 O ARG A 39 -3.526 -1.943 -7.040 1.00 63.34 O ATOM 612 CB ARG A 39 -2.244 -0.215 -4.749 1.00 74.41 C ATOM 613 CG ARG A 39 -1.262 -0.728 -3.709 1.00 24.30 C ATOM 614 CD ARG A 39 -1.979 -1.237 -2.469 1.00 64.42 C ATOM 615 NE ARG A 39 -2.152 -2.687 -2.494 1.00 75.33 N ATOM 616 CZ ARG A 39 -2.903 -3.351 -1.622 1.00 72.12 C ATOM 617 NH1 ARG A 39 -3.545 -2.700 -0.662 1.00 32.31 N ATOM 618 NH2 ARG A 39 -3.013 -4.670 -1.709 1.00 4.33 N ATOM 0 H ARG A 39 -1.274 1.533 -6.251 1.00 5.14 H new ATOM 0 HA ARG A 39 -1.143 -1.352 -6.203 1.00 11.03 H new ATOM 0 HB2 ARG A 39 -2.371 0.859 -4.617 1.00 74.41 H new ATOM 0 HB3 ARG A 39 -3.217 -0.675 -4.576 1.00 74.41 H new ATOM 0 HG2 ARG A 39 -0.662 -1.530 -4.138 1.00 24.30 H new ATOM 0 HG3 ARG A 39 -0.575 0.071 -3.431 1.00 24.30 H new ATOM 0 HD2 ARG A 39 -1.413 -0.955 -1.581 1.00 64.42 H new ATOM 0 HD3 ARG A 39 -2.954 -0.757 -2.391 1.00 64.42 H new ATOM 0 HE ARG A 39 -1.671 -3.218 -3.220 1.00 75.33 H new ATOM 0 HH11 ARG A 39 -3.463 -1.686 -0.591 1.00 32.31 H new ATOM 0 HH12 ARG A 39 -4.121 -3.213 0.005 1.00 32.31 H new ATOM 0 HH21 ARG A 39 -2.521 -5.175 -2.446 1.00 4.33 H new ATOM 0 HH22 ARG A 39 -3.590 -5.179 -1.039 1.00 4.33 H new ATOM 632 N GLU A 40 -3.518 0.183 -7.778 1.00 53.23 N ATOM 633 CA GLU A 40 -4.683 0.004 -8.637 1.00 2.24 C ATOM 634 C GLU A 40 -4.271 -0.519 -10.011 1.00 63.23 C ATOM 635 O GLU A 40 -4.944 -1.372 -10.590 1.00 73.22 O ATOM 636 CB GLU A 40 -5.441 1.324 -8.787 1.00 32.45 C ATOM 637 CG GLU A 40 -6.951 1.162 -8.793 1.00 51.31 C ATOM 638 CD GLU A 40 -7.539 1.219 -10.190 1.00 44.22 C ATOM 639 OE1 GLU A 40 -6.946 0.617 -11.109 1.00 21.13 O ATOM 640 OE2 GLU A 40 -8.593 1.866 -10.363 1.00 14.13 O ATOM 0 H GLU A 40 -3.122 1.123 -7.794 1.00 53.23 H new ATOM 0 HA GLU A 40 -5.338 -0.731 -8.169 1.00 2.24 H new ATOM 0 HB2 GLU A 40 -5.159 1.990 -7.971 1.00 32.45 H new ATOM 0 HB3 GLU A 40 -5.132 1.807 -9.714 1.00 32.45 H new ATOM 0 HG2 GLU A 40 -7.212 0.210 -8.332 1.00 51.31 H new ATOM 0 HG3 GLU A 40 -7.399 1.946 -8.182 1.00 51.31 H new ATOM 647 N LEU A 41 -3.163 0.001 -10.526 1.00 1.01 N ATOM 648 CA LEU A 41 -2.660 -0.412 -11.832 1.00 31.00 C ATOM 649 C LEU A 41 -2.442 -1.921 -11.880 1.00 31.11 C ATOM 650 O LEU A 41 -2.771 -2.574 -12.870 1.00 64.41 O ATOM 651 CB LEU A 41 -1.351 0.314 -12.149 1.00 31.14 C ATOM 652 CG LEU A 41 -1.487 1.662 -12.858 1.00 61.41 C ATOM 653 CD1 LEU A 41 -0.121 2.302 -13.054 1.00 41.23 C ATOM 654 CD2 LEU A 41 -2.195 1.494 -14.193 1.00 15.12 C ATOM 0 H LEU A 41 -2.596 0.709 -10.060 1.00 1.01 H new ATOM 0 HA LEU A 41 -3.406 -0.148 -12.581 1.00 31.00 H new ATOM 0 HB2 LEU A 41 -0.810 0.470 -11.216 1.00 31.14 H new ATOM 0 HB3 LEU A 41 -0.737 -0.340 -12.768 1.00 31.14 H new ATOM 0 HG LEU A 41 -2.088 2.321 -12.231 1.00 61.41 H new ATOM 0 HD11 LEU A 41 -0.237 3.260 -13.560 1.00 41.23 H new ATOM 0 HD12 LEU A 41 0.350 2.459 -12.084 1.00 41.23 H new ATOM 0 HD13 LEU A 41 0.505 1.646 -13.659 1.00 41.23 H new ATOM 0 HD21 LEU A 41 -2.283 2.464 -14.683 1.00 15.12 H new ATOM 0 HD22 LEU A 41 -1.621 0.818 -14.827 1.00 15.12 H new ATOM 0 HD23 LEU A 41 -3.190 1.080 -14.028 1.00 15.12 H new ATOM 666 N GLU A 42 -1.888 -2.468 -10.802 1.00 13.21 N ATOM 667 CA GLU A 42 -1.629 -3.901 -10.722 1.00 72.24 C ATOM 668 C GLU A 42 -2.913 -4.699 -10.929 1.00 54.30 C ATOM 669 O GLU A 42 -2.876 -5.861 -11.336 1.00 30.31 O ATOM 670 CB GLU A 42 -1.009 -4.254 -9.368 1.00 1.10 C ATOM 671 CG GLU A 42 -0.913 -5.749 -9.114 1.00 15.52 C ATOM 672 CD GLU A 42 -0.147 -6.078 -7.848 1.00 71.04 C ATOM 673 OE1 GLU A 42 -0.426 -5.449 -6.806 1.00 71.25 O ATOM 674 OE2 GLU A 42 0.730 -6.965 -7.899 1.00 44.42 O ATOM 0 H GLU A 42 -1.610 -1.942 -9.974 1.00 13.21 H new ATOM 0 HA GLU A 42 -0.928 -4.162 -11.515 1.00 72.24 H new ATOM 0 HB2 GLU A 42 -0.011 -3.819 -9.310 1.00 1.10 H new ATOM 0 HB3 GLU A 42 -1.602 -3.797 -8.576 1.00 1.10 H new ATOM 0 HG2 GLU A 42 -1.917 -6.167 -9.045 1.00 15.52 H new ATOM 0 HG3 GLU A 42 -0.426 -6.227 -9.964 1.00 15.52 H new ATOM 681 N ARG A 43 -4.047 -4.068 -10.645 1.00 71.50 N ATOM 682 CA ARG A 43 -5.343 -4.718 -10.798 1.00 53.20 C ATOM 683 C ARG A 43 -5.857 -4.578 -12.228 1.00 23.54 C ATOM 684 O ARG A 43 -6.729 -5.331 -12.663 1.00 4.31 O ATOM 685 CB ARG A 43 -6.356 -4.121 -9.820 1.00 13.42 C ATOM 686 CG ARG A 43 -6.933 -5.135 -8.845 1.00 4.21 C ATOM 687 CD ARG A 43 -8.141 -4.577 -8.110 1.00 45.23 C ATOM 688 NE ARG A 43 -8.748 -5.568 -7.223 1.00 24.41 N ATOM 689 CZ ARG A 43 -9.459 -6.603 -7.655 1.00 32.41 C ATOM 690 NH1 ARG A 43 -9.652 -6.783 -8.954 1.00 34.50 N ATOM 691 NH2 ARG A 43 -9.979 -7.460 -6.787 1.00 0.41 N ATOM 0 H ARG A 43 -4.095 -3.107 -10.307 1.00 71.50 H new ATOM 0 HA ARG A 43 -5.217 -5.778 -10.578 1.00 53.20 H new ATOM 0 HB2 ARG A 43 -5.876 -3.321 -9.257 1.00 13.42 H new ATOM 0 HB3 ARG A 43 -7.171 -3.669 -10.385 1.00 13.42 H new ATOM 0 HG2 ARG A 43 -7.219 -6.038 -9.385 1.00 4.21 H new ATOM 0 HG3 ARG A 43 -6.168 -5.424 -8.124 1.00 4.21 H new ATOM 0 HD2 ARG A 43 -7.841 -3.705 -7.528 1.00 45.23 H new ATOM 0 HD3 ARG A 43 -8.881 -4.237 -8.834 1.00 45.23 H new ATOM 0 HE ARG A 43 -8.618 -5.458 -6.217 1.00 24.41 H new ATOM 0 HH11 ARG A 43 -9.254 -6.126 -9.625 1.00 34.50 H new ATOM 0 HH12 ARG A 43 -10.199 -7.579 -9.283 1.00 34.50 H new ATOM 0 HH21 ARG A 43 -9.833 -7.324 -5.787 1.00 0.41 H new ATOM 0 HH22 ARG A 43 -10.525 -8.255 -7.120 1.00 0.41 H new ATOM 705 N PHE A 44 -5.310 -3.608 -12.954 1.00 32.15 N ATOM 706 CA PHE A 44 -5.715 -3.368 -14.335 1.00 64.42 C ATOM 707 C PHE A 44 -4.784 -4.087 -15.307 1.00 1.53 C ATOM 708 O PHE A 44 -4.677 -3.712 -16.473 1.00 33.55 O ATOM 709 CB PHE A 44 -5.719 -1.867 -14.633 1.00 63.32 C ATOM 710 CG PHE A 44 -7.060 -1.220 -14.432 1.00 5.10 C ATOM 711 CD1 PHE A 44 -7.699 -1.286 -13.205 1.00 64.44 C ATOM 712 CD2 PHE A 44 -7.682 -0.548 -15.471 1.00 32.42 C ATOM 713 CE1 PHE A 44 -8.932 -0.691 -13.016 1.00 61.31 C ATOM 714 CE2 PHE A 44 -8.915 0.049 -15.289 1.00 14.12 C ATOM 715 CZ PHE A 44 -9.541 -0.024 -14.060 1.00 11.24 C ATOM 0 H PHE A 44 -4.587 -2.977 -12.610 1.00 32.15 H new ATOM 0 HA PHE A 44 -6.723 -3.761 -14.466 1.00 64.42 H new ATOM 0 HB2 PHE A 44 -4.987 -1.375 -13.992 1.00 63.32 H new ATOM 0 HB3 PHE A 44 -5.398 -1.708 -15.663 1.00 63.32 H new ATOM 0 HD1 PHE A 44 -7.228 -1.809 -12.386 1.00 64.44 H new ATOM 0 HD2 PHE A 44 -7.198 -0.490 -16.435 1.00 32.42 H new ATOM 0 HE1 PHE A 44 -9.418 -0.748 -12.053 1.00 61.31 H new ATOM 0 HE2 PHE A 44 -9.388 0.572 -16.107 1.00 14.12 H new ATOM 0 HZ PHE A 44 -10.506 0.440 -13.916 1.00 11.24 H new ATOM 725 N ALA A 45 -4.113 -5.124 -14.816 1.00 4.22 N ATOM 726 CA ALA A 45 -3.193 -5.898 -15.641 1.00 24.41 C ATOM 727 C ALA A 45 -2.007 -5.049 -16.085 1.00 4.01 C ATOM 728 O ALA A 45 -1.270 -5.423 -16.997 1.00 25.20 O ATOM 729 CB ALA A 45 -3.919 -6.467 -16.850 1.00 10.04 C ATOM 0 H ALA A 45 -4.189 -5.447 -13.852 1.00 4.22 H new ATOM 0 HA ALA A 45 -2.811 -6.723 -15.039 1.00 24.41 H new ATOM 0 HB1 ALA A 45 -3.220 -7.042 -17.457 1.00 10.04 H new ATOM 0 HB2 ALA A 45 -4.729 -7.116 -16.516 1.00 10.04 H new ATOM 0 HB3 ALA A 45 -4.330 -5.651 -17.445 1.00 10.04 H new ATOM 735 N VAL A 46 -1.829 -3.903 -15.435 1.00 64.30 N ATOM 736 CA VAL A 46 -0.731 -3.001 -15.763 1.00 74.23 C ATOM 737 C VAL A 46 0.261 -2.901 -14.610 1.00 21.40 C ATOM 738 O VAL A 46 -0.067 -2.395 -13.537 1.00 73.12 O ATOM 739 CB VAL A 46 -1.248 -1.590 -16.106 1.00 41.44 C ATOM 740 CG1 VAL A 46 -0.085 -0.635 -16.327 1.00 73.10 C ATOM 741 CG2 VAL A 46 -2.151 -1.637 -17.329 1.00 41.42 C ATOM 0 H VAL A 46 -2.431 -3.577 -14.679 1.00 64.30 H new ATOM 0 HA VAL A 46 -0.228 -3.418 -16.636 1.00 74.23 H new ATOM 0 HB VAL A 46 -1.834 -1.221 -15.264 1.00 41.44 H new ATOM 0 HG11 VAL A 46 -0.469 0.356 -16.568 1.00 73.10 H new ATOM 0 HG12 VAL A 46 0.518 -0.580 -15.421 1.00 73.10 H new ATOM 0 HG13 VAL A 46 0.531 -0.996 -17.151 1.00 73.10 H new ATOM 0 HG21 VAL A 46 -2.507 -0.632 -17.557 1.00 41.42 H new ATOM 0 HG22 VAL A 46 -1.591 -2.026 -18.180 1.00 41.42 H new ATOM 0 HG23 VAL A 46 -3.003 -2.287 -17.128 1.00 41.42 H new ATOM 751 N ASN A 47 1.477 -3.384 -14.840 1.00 44.15 N ATOM 752 CA ASN A 47 2.519 -3.349 -13.819 1.00 12.05 C ATOM 753 C ASN A 47 2.788 -1.917 -13.366 1.00 42.41 C ATOM 754 O ASN A 47 2.818 -0.982 -14.166 1.00 33.44 O ATOM 755 CB ASN A 47 3.807 -3.978 -14.354 1.00 75.01 C ATOM 756 CG ASN A 47 3.838 -5.482 -14.164 1.00 10.32 C ATOM 757 OD1 ASN A 47 2.988 -6.204 -14.688 1.00 25.42 O ATOM 758 ND2 ASN A 47 4.820 -5.964 -13.411 1.00 21.34 N ATOM 0 H ASN A 47 1.766 -3.804 -15.723 1.00 44.15 H new ATOM 0 HA ASN A 47 2.172 -3.924 -12.960 1.00 12.05 H new ATOM 0 HB2 ASN A 47 3.908 -3.746 -15.414 1.00 75.01 H new ATOM 0 HB3 ASN A 47 4.663 -3.533 -13.847 1.00 75.01 H new ATOM 0 HD21 ASN A 47 4.891 -6.968 -13.248 1.00 21.34 H new ATOM 0 HD22 ASN A 47 5.503 -5.330 -12.996 1.00 21.34 H new ATOM 765 N PRO A 48 2.993 -1.741 -12.053 1.00 74.44 N ATOM 766 CA PRO A 48 3.265 -0.427 -11.464 1.00 75.15 C ATOM 767 C PRO A 48 4.640 0.107 -11.847 1.00 32.10 C ATOM 768 O PRO A 48 4.981 1.249 -11.543 1.00 31.32 O ATOM 769 CB PRO A 48 3.196 -0.692 -9.957 1.00 54.01 C ATOM 770 CG PRO A 48 3.520 -2.139 -9.812 1.00 14.13 C ATOM 771 CD PRO A 48 2.973 -2.811 -11.040 1.00 34.34 C ATOM 0 HA PRO A 48 2.560 0.328 -11.811 1.00 75.15 H new ATOM 0 HB2 PRO A 48 3.907 -0.071 -9.413 1.00 54.01 H new ATOM 0 HB3 PRO A 48 2.206 -0.466 -9.560 1.00 54.01 H new ATOM 0 HG2 PRO A 48 4.596 -2.292 -9.730 1.00 14.13 H new ATOM 0 HG3 PRO A 48 3.070 -2.551 -8.909 1.00 14.13 H new ATOM 0 HD2 PRO A 48 3.587 -3.660 -11.340 1.00 34.34 H new ATOM 0 HD3 PRO A 48 1.964 -3.189 -10.875 1.00 34.34 H new ATOM 779 N GLY A 49 5.428 -0.728 -12.518 1.00 40.13 N ATOM 780 CA GLY A 49 6.758 -0.322 -12.934 1.00 62.04 C ATOM 781 C GLY A 49 6.728 0.753 -14.002 1.00 24.34 C ATOM 782 O GLY A 49 7.750 1.374 -14.296 1.00 25.44 O ATOM 0 H GLY A 49 5.169 -1.679 -12.781 1.00 40.13 H new ATOM 0 HA2 GLY A 49 7.310 0.045 -12.069 1.00 62.04 H new ATOM 0 HA3 GLY A 49 7.298 -1.190 -13.312 1.00 62.04 H new ATOM 786 N LEU A 50 5.555 0.972 -14.587 1.00 43.24 N ATOM 787 CA LEU A 50 5.397 1.979 -15.630 1.00 10.42 C ATOM 788 C LEU A 50 5.425 3.385 -15.041 1.00 41.33 C ATOM 789 O LEU A 50 5.428 4.376 -15.771 1.00 50.13 O ATOM 790 CB LEU A 50 4.085 1.756 -16.385 1.00 1.32 C ATOM 791 CG LEU A 50 3.938 0.407 -17.091 1.00 50.21 C ATOM 792 CD1 LEU A 50 2.583 0.308 -17.774 1.00 22.32 C ATOM 793 CD2 LEU A 50 5.061 0.206 -18.098 1.00 35.00 C ATOM 0 H LEU A 50 4.700 0.466 -14.357 1.00 43.24 H new ATOM 0 HA LEU A 50 6.231 1.881 -16.324 1.00 10.42 H new ATOM 0 HB2 LEU A 50 3.260 1.867 -15.681 1.00 1.32 H new ATOM 0 HB3 LEU A 50 3.978 2.546 -17.128 1.00 1.32 H new ATOM 0 HG LEU A 50 4.004 -0.382 -16.342 1.00 50.21 H new ATOM 0 HD11 LEU A 50 2.496 -0.658 -18.271 1.00 22.32 H new ATOM 0 HD12 LEU A 50 1.792 0.406 -17.030 1.00 22.32 H new ATOM 0 HD13 LEU A 50 2.488 1.105 -18.511 1.00 22.32 H new ATOM 0 HD21 LEU A 50 4.940 -0.759 -18.590 1.00 35.00 H new ATOM 0 HD22 LEU A 50 5.028 1.000 -18.844 1.00 35.00 H new ATOM 0 HD23 LEU A 50 6.021 0.232 -17.582 1.00 35.00 H new ATOM 805 N LEU A 51 5.447 3.464 -13.714 1.00 3.23 N ATOM 806 CA LEU A 51 5.478 4.749 -13.025 1.00 1.14 C ATOM 807 C LEU A 51 6.913 5.227 -12.826 1.00 3.52 C ATOM 808 O LEU A 51 7.151 6.391 -12.507 1.00 34.43 O ATOM 809 CB LEU A 51 4.773 4.641 -11.672 1.00 52.24 C ATOM 810 CG LEU A 51 3.275 4.334 -11.719 1.00 65.14 C ATOM 811 CD1 LEU A 51 2.728 4.131 -10.314 1.00 62.12 C ATOM 812 CD2 LEU A 51 2.524 5.450 -12.429 1.00 35.31 C ATOM 0 H LEU A 51 5.444 2.653 -13.095 1.00 3.23 H new ATOM 0 HA LEU A 51 4.955 5.478 -13.644 1.00 1.14 H new ATOM 0 HB2 LEU A 51 5.265 3.862 -11.089 1.00 52.24 H new ATOM 0 HB3 LEU A 51 4.915 5.579 -11.135 1.00 52.24 H new ATOM 0 HG LEU A 51 3.130 3.411 -12.281 1.00 65.14 H new ATOM 0 HD11 LEU A 51 1.661 3.914 -10.367 1.00 62.12 H new ATOM 0 HD12 LEU A 51 3.245 3.297 -9.839 1.00 62.12 H new ATOM 0 HD13 LEU A 51 2.885 5.037 -9.728 1.00 62.12 H new ATOM 0 HD21 LEU A 51 1.460 5.215 -12.453 1.00 35.31 H new ATOM 0 HD22 LEU A 51 2.676 6.388 -11.895 1.00 35.31 H new ATOM 0 HD23 LEU A 51 2.897 5.548 -13.448 1.00 35.31 H new ATOM 824 N GLU A 52 7.865 4.320 -13.020 1.00 11.25 N ATOM 825 CA GLU A 52 9.277 4.650 -12.864 1.00 73.31 C ATOM 826 C GLU A 52 9.927 4.919 -14.218 1.00 12.25 C ATOM 827 O GLU A 52 11.109 4.642 -14.419 1.00 22.14 O ATOM 828 CB GLU A 52 10.013 3.515 -12.150 1.00 41.14 C ATOM 829 CG GLU A 52 10.119 2.244 -12.975 1.00 61.15 C ATOM 830 CD GLU A 52 11.473 1.573 -12.842 1.00 62.14 C ATOM 831 OE1 GLU A 52 12.395 1.942 -13.598 1.00 61.52 O ATOM 832 OE2 GLU A 52 11.610 0.679 -11.981 1.00 74.14 O ATOM 0 H GLU A 52 7.685 3.352 -13.285 1.00 11.25 H new ATOM 0 HA GLU A 52 9.347 5.555 -12.261 1.00 73.31 H new ATOM 0 HB2 GLU A 52 11.016 3.852 -11.887 1.00 41.14 H new ATOM 0 HB3 GLU A 52 9.498 3.290 -11.216 1.00 41.14 H new ATOM 0 HG2 GLU A 52 9.340 1.547 -12.664 1.00 61.15 H new ATOM 0 HG3 GLU A 52 9.936 2.479 -14.023 1.00 61.15 H new ATOM 839 N THR A 53 9.144 5.460 -15.147 1.00 62.45 N ATOM 840 CA THR A 53 9.640 5.766 -16.482 1.00 5.52 C ATOM 841 C THR A 53 8.642 6.616 -17.259 1.00 61.21 C ATOM 842 O THR A 53 7.553 6.155 -17.600 1.00 74.14 O ATOM 843 CB THR A 53 9.933 4.481 -17.280 1.00 52.45 C ATOM 844 OG1 THR A 53 9.794 4.732 -18.683 1.00 44.22 O ATOM 845 CG2 THR A 53 8.991 3.360 -16.865 1.00 73.23 C ATOM 0 H THR A 53 8.163 5.695 -14.998 1.00 62.45 H new ATOM 0 HA THR A 53 10.567 6.326 -16.354 1.00 5.52 H new ATOM 0 HB THR A 53 10.957 4.173 -17.066 1.00 52.45 H new ATOM 0 HG1 THR A 53 9.983 3.911 -19.183 1.00 44.22 H new ATOM 0 HG21 THR A 53 9.217 2.463 -17.442 1.00 73.23 H new ATOM 0 HG22 THR A 53 9.120 3.151 -15.803 1.00 73.23 H new ATOM 0 HG23 THR A 53 7.961 3.662 -17.053 1.00 73.23 H new ATOM 853 N SER A 54 9.021 7.859 -17.537 1.00 1.32 N ATOM 854 CA SER A 54 8.156 8.776 -18.273 1.00 43.45 C ATOM 855 C SER A 54 7.608 8.112 -19.532 1.00 71.22 C ATOM 856 O SER A 54 6.474 8.366 -19.935 1.00 33.23 O ATOM 857 CB SER A 54 8.924 10.046 -18.643 1.00 35.33 C ATOM 858 OG SER A 54 9.255 10.057 -20.021 1.00 2.51 O ATOM 0 H SER A 54 9.921 8.255 -17.264 1.00 1.32 H new ATOM 0 HA SER A 54 7.317 9.042 -17.630 1.00 43.45 H new ATOM 0 HB2 SER A 54 8.322 10.922 -18.403 1.00 35.33 H new ATOM 0 HB3 SER A 54 9.834 10.112 -18.046 1.00 35.33 H new ATOM 0 HG SER A 54 9.744 10.879 -20.233 1.00 2.51 H new ATOM 864 N GLU A 55 8.423 7.262 -20.148 1.00 51.12 N ATOM 865 CA GLU A 55 8.020 6.562 -21.363 1.00 71.34 C ATOM 866 C GLU A 55 6.962 5.505 -21.057 1.00 61.45 C ATOM 867 O GLU A 55 6.030 5.302 -21.833 1.00 74.54 O ATOM 868 CB GLU A 55 9.233 5.909 -22.027 1.00 13.41 C ATOM 869 CG GLU A 55 8.909 5.224 -23.345 1.00 24.43 C ATOM 870 CD GLU A 55 8.345 6.181 -24.377 1.00 64.53 C ATOM 871 OE1 GLU A 55 9.143 6.891 -25.026 1.00 54.25 O ATOM 872 OE2 GLU A 55 7.107 6.222 -24.535 1.00 71.33 O ATOM 0 H GLU A 55 9.366 7.041 -19.827 1.00 51.12 H new ATOM 0 HA GLU A 55 7.590 7.293 -22.048 1.00 71.34 H new ATOM 0 HB2 GLU A 55 9.995 6.669 -22.200 1.00 13.41 H new ATOM 0 HB3 GLU A 55 9.662 5.177 -21.342 1.00 13.41 H new ATOM 0 HG2 GLU A 55 9.813 4.760 -23.741 1.00 24.43 H new ATOM 0 HG3 GLU A 55 8.191 4.423 -23.167 1.00 24.43 H new ATOM 879 N GLY A 56 7.116 4.835 -19.919 1.00 14.42 N ATOM 880 CA GLY A 56 6.168 3.807 -19.530 1.00 30.21 C ATOM 881 C GLY A 56 4.881 4.385 -18.976 1.00 4.01 C ATOM 882 O GLY A 56 3.825 3.758 -19.060 1.00 13.25 O ATOM 0 H GLY A 56 7.880 4.986 -19.260 1.00 14.42 H new ATOM 0 HA2 GLY A 56 5.940 3.182 -20.393 1.00 30.21 H new ATOM 0 HA3 GLY A 56 6.625 3.161 -18.780 1.00 30.21 H new ATOM 886 N CYS A 57 4.968 5.582 -18.407 1.00 2.43 N ATOM 887 CA CYS A 57 3.802 6.243 -17.835 1.00 73.13 C ATOM 888 C CYS A 57 2.772 6.559 -18.914 1.00 73.12 C ATOM 889 O CYS A 57 1.569 6.586 -18.651 1.00 42.01 O ATOM 890 CB CYS A 57 4.218 7.529 -17.119 1.00 42.45 C ATOM 891 SG CYS A 57 4.008 7.475 -15.324 1.00 41.34 S ATOM 0 H CYS A 57 5.835 6.114 -18.330 1.00 2.43 H new ATOM 0 HA CYS A 57 3.349 5.564 -17.113 1.00 73.13 H new ATOM 0 HB2 CYS A 57 5.264 7.736 -17.346 1.00 42.45 H new ATOM 0 HB3 CYS A 57 3.635 8.359 -17.518 1.00 42.45 H new ATOM 0 HG CYS A 57 4.184 8.665 -14.830 1.00 41.34 H new ATOM 897 N ARG A 58 3.251 6.799 -20.130 1.00 21.44 N ATOM 898 CA ARG A 58 2.372 7.117 -21.250 1.00 44.43 C ATOM 899 C ARG A 58 1.430 5.954 -21.547 1.00 50.22 C ATOM 900 O ARG A 58 0.247 6.156 -21.819 1.00 32.13 O ATOM 901 CB ARG A 58 3.197 7.450 -22.494 1.00 52.12 C ATOM 902 CG ARG A 58 2.848 8.795 -23.112 1.00 10.43 C ATOM 903 CD ARG A 58 3.156 8.818 -24.602 1.00 72.33 C ATOM 904 NE ARG A 58 3.470 10.165 -25.074 1.00 12.43 N ATOM 905 CZ ARG A 58 4.121 10.413 -26.205 1.00 15.51 C ATOM 906 NH1 ARG A 58 4.524 9.412 -26.976 1.00 74.25 N ATOM 907 NH2 ARG A 58 4.370 11.666 -26.567 1.00 12.55 N ATOM 0 H ARG A 58 4.243 6.779 -20.365 1.00 21.44 H new ATOM 0 HA ARG A 58 1.774 7.986 -20.976 1.00 44.43 H new ATOM 0 HB2 ARG A 58 4.255 7.444 -22.231 1.00 52.12 H new ATOM 0 HB3 ARG A 58 3.049 6.668 -23.238 1.00 52.12 H new ATOM 0 HG2 ARG A 58 1.790 9.006 -22.954 1.00 10.43 H new ATOM 0 HG3 ARG A 58 3.409 9.584 -22.611 1.00 10.43 H new ATOM 0 HD2 ARG A 58 3.997 8.156 -24.809 1.00 72.33 H new ATOM 0 HD3 ARG A 58 2.301 8.430 -25.155 1.00 72.33 H new ATOM 0 HE ARG A 58 3.173 10.957 -24.504 1.00 12.43 H new ATOM 0 HH11 ARG A 58 4.334 8.448 -26.701 1.00 74.25 H new ATOM 0 HH12 ARG A 58 5.024 9.606 -27.844 1.00 74.25 H new ATOM 0 HH21 ARG A 58 4.061 12.438 -25.977 1.00 12.55 H new ATOM 0 HH22 ARG A 58 4.870 11.856 -27.436 1.00 12.55 H new ATOM 921 N GLN A 59 1.963 4.738 -21.493 1.00 3.14 N ATOM 922 CA GLN A 59 1.170 3.543 -21.758 1.00 70.12 C ATOM 923 C GLN A 59 -0.072 3.508 -20.874 1.00 74.14 C ATOM 924 O GLN A 59 -1.090 2.920 -21.240 1.00 73.14 O ATOM 925 CB GLN A 59 2.010 2.286 -21.529 1.00 13.35 C ATOM 926 CG GLN A 59 2.389 1.565 -22.813 1.00 73.40 C ATOM 927 CD GLN A 59 1.180 1.076 -23.586 1.00 55.04 C ATOM 928 OE1 GLN A 59 0.212 0.586 -23.002 1.00 12.11 O ATOM 929 NE2 GLN A 59 1.228 1.206 -24.907 1.00 61.02 N ATOM 0 H GLN A 59 2.941 4.554 -21.268 1.00 3.14 H new ATOM 0 HA GLN A 59 0.851 3.572 -22.800 1.00 70.12 H new ATOM 0 HB2 GLN A 59 2.919 2.559 -20.994 1.00 13.35 H new ATOM 0 HB3 GLN A 59 1.456 1.601 -20.887 1.00 13.35 H new ATOM 0 HG2 GLN A 59 2.972 2.236 -23.444 1.00 73.40 H new ATOM 0 HG3 GLN A 59 3.030 0.716 -22.573 1.00 73.40 H new ATOM 0 HE21 GLN A 59 2.050 1.618 -25.349 1.00 61.02 H new ATOM 0 HE22 GLN A 59 0.443 0.894 -25.479 1.00 61.02 H new ATOM 938 N ILE A 60 0.020 4.138 -19.707 1.00 35.33 N ATOM 939 CA ILE A 60 -1.096 4.179 -18.771 1.00 14.01 C ATOM 940 C ILE A 60 -2.188 5.125 -19.258 1.00 34.12 C ATOM 941 O ILE A 60 -3.300 4.698 -19.574 1.00 35.42 O ATOM 942 CB ILE A 60 -0.639 4.620 -17.368 1.00 34.45 C ATOM 943 CG1 ILE A 60 0.618 3.852 -16.953 1.00 71.43 C ATOM 944 CG2 ILE A 60 -1.755 4.408 -16.357 1.00 42.14 C ATOM 945 CD1 ILE A 60 1.185 4.297 -15.624 1.00 50.33 C ATOM 0 H ILE A 60 0.856 4.627 -19.388 1.00 35.33 H new ATOM 0 HA ILE A 60 -1.495 3.166 -18.713 1.00 14.01 H new ATOM 0 HB ILE A 60 -0.399 5.683 -17.397 1.00 34.45 H new ATOM 0 HG12 ILE A 60 0.384 2.789 -16.902 1.00 71.43 H new ATOM 0 HG13 ILE A 60 1.380 3.974 -17.723 1.00 71.43 H new ATOM 0 HG21 ILE A 60 -1.417 4.724 -15.370 1.00 42.14 H new ATOM 0 HG22 ILE A 60 -2.626 4.996 -16.648 1.00 42.14 H new ATOM 0 HG23 ILE A 60 -2.023 3.352 -16.327 1.00 42.14 H new ATOM 0 HD11 ILE A 60 2.074 3.710 -15.393 1.00 50.33 H new ATOM 0 HD12 ILE A 60 1.451 5.353 -15.677 1.00 50.33 H new ATOM 0 HD13 ILE A 60 0.440 4.149 -14.843 1.00 50.33 H new ATOM 957 N LEU A 61 -1.865 6.412 -19.319 1.00 31.23 N ATOM 958 CA LEU A 61 -2.818 7.420 -19.770 1.00 54.12 C ATOM 959 C LEU A 61 -3.341 7.091 -21.165 1.00 1.42 C ATOM 960 O LEU A 61 -4.516 7.297 -21.463 1.00 23.23 O ATOM 961 CB LEU A 61 -2.164 8.803 -19.772 1.00 75.12 C ATOM 962 CG LEU A 61 -1.620 9.290 -18.429 1.00 31.22 C ATOM 963 CD1 LEU A 61 -0.742 10.517 -18.621 1.00 12.44 C ATOM 964 CD2 LEU A 61 -2.762 9.595 -17.470 1.00 64.43 C ATOM 0 H LEU A 61 -0.950 6.782 -19.062 1.00 31.23 H new ATOM 0 HA LEU A 61 -3.660 7.423 -19.078 1.00 54.12 H new ATOM 0 HB2 LEU A 61 -1.345 8.795 -20.491 1.00 75.12 H new ATOM 0 HB3 LEU A 61 -2.895 9.528 -20.130 1.00 75.12 H new ATOM 0 HG LEU A 61 -1.010 8.496 -17.997 1.00 31.22 H new ATOM 0 HD11 LEU A 61 -0.364 10.849 -17.654 1.00 12.44 H new ATOM 0 HD12 LEU A 61 0.096 10.267 -19.272 1.00 12.44 H new ATOM 0 HD13 LEU A 61 -1.328 11.316 -19.075 1.00 12.44 H new ATOM 0 HD21 LEU A 61 -2.356 9.940 -16.519 1.00 64.43 H new ATOM 0 HD22 LEU A 61 -3.398 10.371 -17.896 1.00 64.43 H new ATOM 0 HD23 LEU A 61 -3.351 8.692 -17.307 1.00 64.43 H new ATOM 976 N GLY A 62 -2.458 6.574 -22.015 1.00 12.32 N ATOM 977 CA GLY A 62 -2.850 6.221 -23.367 1.00 64.01 C ATOM 978 C GLY A 62 -3.866 5.097 -23.402 1.00 33.15 C ATOM 979 O GLY A 62 -4.486 4.846 -24.434 1.00 13.10 O ATOM 0 H GLY A 62 -1.479 6.394 -21.791 1.00 12.32 H new ATOM 0 HA2 GLY A 62 -3.266 7.098 -23.862 1.00 64.01 H new ATOM 0 HA3 GLY A 62 -1.966 5.925 -23.933 1.00 64.01 H new ATOM 983 N GLN A 63 -4.035 4.419 -22.272 1.00 51.52 N ATOM 984 CA GLN A 63 -4.982 3.314 -22.178 1.00 10.31 C ATOM 985 C GLN A 63 -6.316 3.786 -21.612 1.00 15.04 C ATOM 986 O GLN A 63 -7.379 3.460 -22.145 1.00 4.01 O ATOM 987 CB GLN A 63 -4.410 2.197 -21.303 1.00 31.24 C ATOM 988 CG GLN A 63 -3.879 1.013 -22.096 1.00 73.42 C ATOM 989 CD GLN A 63 -3.571 -0.185 -21.219 1.00 25.11 C ATOM 990 OE1 GLN A 63 -2.454 -0.335 -20.725 1.00 51.04 O ATOM 991 NE2 GLN A 63 -4.563 -1.045 -21.023 1.00 10.14 N ATOM 0 H GLN A 63 -3.529 4.615 -21.409 1.00 51.52 H new ATOM 0 HA GLN A 63 -5.151 2.928 -23.183 1.00 10.31 H new ATOM 0 HB2 GLN A 63 -3.605 2.603 -20.690 1.00 31.24 H new ATOM 0 HB3 GLN A 63 -5.185 1.848 -20.621 1.00 31.24 H new ATOM 0 HG2 GLN A 63 -4.612 0.727 -22.850 1.00 73.42 H new ATOM 0 HG3 GLN A 63 -2.975 1.312 -22.627 1.00 73.42 H new ATOM 0 HE21 GLN A 63 -5.473 -0.880 -21.453 1.00 10.14 H new ATOM 0 HE22 GLN A 63 -4.415 -1.871 -20.443 1.00 10.14 H new ATOM 1000 N LEU A 64 -6.256 4.556 -20.532 1.00 20.33 N ATOM 1001 CA LEU A 64 -7.461 5.075 -19.893 1.00 4.33 C ATOM 1002 C LEU A 64 -8.071 6.204 -20.717 1.00 11.40 C ATOM 1003 O LEU A 64 -9.292 6.360 -20.765 1.00 44.41 O ATOM 1004 CB LEU A 64 -7.141 5.573 -18.482 1.00 2.24 C ATOM 1005 CG LEU A 64 -6.437 4.575 -17.562 1.00 12.22 C ATOM 1006 CD1 LEU A 64 -6.034 5.244 -16.258 1.00 72.04 C ATOM 1007 CD2 LEU A 64 -7.333 3.374 -17.293 1.00 14.03 C ATOM 0 H LEU A 64 -5.386 4.835 -20.080 1.00 20.33 H new ATOM 0 HA LEU A 64 -8.186 4.264 -19.829 1.00 4.33 H new ATOM 0 HB2 LEU A 64 -6.517 6.463 -18.565 1.00 2.24 H new ATOM 0 HB3 LEU A 64 -8.073 5.880 -18.007 1.00 2.24 H new ATOM 0 HG LEU A 64 -5.533 4.225 -18.061 1.00 12.22 H new ATOM 0 HD11 LEU A 64 -5.534 4.518 -15.616 1.00 72.04 H new ATOM 0 HD12 LEU A 64 -5.355 6.071 -16.468 1.00 72.04 H new ATOM 0 HD13 LEU A 64 -6.923 5.623 -15.754 1.00 72.04 H new ATOM 0 HD21 LEU A 64 -6.816 2.674 -16.637 1.00 14.03 H new ATOM 0 HD22 LEU A 64 -8.254 3.707 -16.815 1.00 14.03 H new ATOM 0 HD23 LEU A 64 -7.571 2.880 -18.235 1.00 14.03 H new ATOM 1019 N GLN A 65 -7.215 6.986 -21.364 1.00 24.32 N ATOM 1020 CA GLN A 65 -7.671 8.101 -22.187 1.00 11.25 C ATOM 1021 C GLN A 65 -8.856 7.688 -23.054 1.00 74.20 C ATOM 1022 O GLN A 65 -9.946 8.253 -22.967 1.00 31.32 O ATOM 1023 CB GLN A 65 -6.531 8.609 -23.072 1.00 42.34 C ATOM 1024 CG GLN A 65 -7.000 9.198 -24.392 1.00 13.24 C ATOM 1025 CD GLN A 65 -5.920 9.999 -25.091 1.00 32.32 C ATOM 1026 OE1 GLN A 65 -6.052 11.208 -25.279 1.00 23.41 O ATOM 1027 NE2 GLN A 65 -4.843 9.326 -25.481 1.00 30.42 N ATOM 0 H GLN A 65 -6.202 6.869 -21.335 1.00 24.32 H new ATOM 0 HA GLN A 65 -7.991 8.903 -21.522 1.00 11.25 H new ATOM 0 HB2 GLN A 65 -5.968 9.366 -22.526 1.00 42.34 H new ATOM 0 HB3 GLN A 65 -5.845 7.786 -23.274 1.00 42.34 H new ATOM 0 HG2 GLN A 65 -7.331 8.392 -25.047 1.00 13.24 H new ATOM 0 HG3 GLN A 65 -7.864 9.839 -24.213 1.00 13.24 H new ATOM 0 HE21 GLN A 65 -4.776 8.324 -25.304 1.00 30.42 H new ATOM 0 HE22 GLN A 65 -4.083 9.812 -25.957 1.00 30.42 H new ATOM 1036 N PRO A 66 -8.641 6.678 -23.910 1.00 13.01 N ATOM 1037 CA PRO A 66 -9.680 6.167 -24.809 1.00 61.30 C ATOM 1038 C PRO A 66 -10.782 5.426 -24.058 1.00 10.43 C ATOM 1039 O PRO A 66 -11.841 5.138 -24.616 1.00 31.41 O ATOM 1040 CB PRO A 66 -8.917 5.206 -25.723 1.00 34.23 C ATOM 1041 CG PRO A 66 -7.737 4.777 -24.922 1.00 23.45 C ATOM 1042 CD PRO A 66 -7.366 5.957 -24.067 1.00 52.14 C ATOM 0 HA PRO A 66 -10.189 6.970 -25.342 1.00 61.30 H new ATOM 0 HB2 PRO A 66 -9.535 4.354 -26.005 1.00 34.23 H new ATOM 0 HB3 PRO A 66 -8.611 5.697 -26.647 1.00 34.23 H new ATOM 0 HG2 PRO A 66 -7.977 3.910 -24.307 1.00 23.45 H new ATOM 0 HG3 PRO A 66 -6.909 4.489 -25.570 1.00 23.45 H new ATOM 0 HD2 PRO A 66 -6.960 5.644 -23.105 1.00 52.14 H new ATOM 0 HD3 PRO A 66 -6.609 6.578 -24.546 1.00 52.14 H new ATOM 1050 N SER A 67 -10.526 5.120 -22.791 1.00 60.21 N ATOM 1051 CA SER A 67 -11.495 4.409 -21.965 1.00 31.34 C ATOM 1052 C SER A 67 -12.319 5.386 -21.132 1.00 54.22 C ATOM 1053 O SER A 67 -13.268 4.994 -20.452 1.00 42.42 O ATOM 1054 CB SER A 67 -10.782 3.414 -21.047 1.00 40.30 C ATOM 1055 OG SER A 67 -10.100 2.425 -21.800 1.00 70.34 O ATOM 0 H SER A 67 -9.655 5.353 -22.313 1.00 60.21 H new ATOM 0 HA SER A 67 -12.169 3.864 -22.626 1.00 31.34 H new ATOM 0 HB2 SER A 67 -10.073 3.944 -20.411 1.00 40.30 H new ATOM 0 HB3 SER A 67 -11.508 2.938 -20.388 1.00 40.30 H new ATOM 0 HG SER A 67 -9.175 2.711 -21.954 1.00 70.34 H new ATOM 1061 N LEU A 68 -11.950 6.661 -21.189 1.00 3.15 N ATOM 1062 CA LEU A 68 -12.654 7.696 -20.441 1.00 1.33 C ATOM 1063 C LEU A 68 -14.140 7.703 -20.787 1.00 24.13 C ATOM 1064 O LEU A 68 -14.968 8.156 -19.997 1.00 1.34 O ATOM 1065 CB LEU A 68 -12.044 9.068 -20.733 1.00 73.35 C ATOM 1066 CG LEU A 68 -10.669 9.335 -20.120 1.00 2.11 C ATOM 1067 CD1 LEU A 68 -10.032 10.563 -20.753 1.00 61.12 C ATOM 1068 CD2 LEU A 68 -10.780 9.507 -18.612 1.00 15.22 C ATOM 0 H LEU A 68 -11.167 7.003 -21.746 1.00 3.15 H new ATOM 0 HA LEU A 68 -12.549 7.477 -19.378 1.00 1.33 H new ATOM 0 HB2 LEU A 68 -11.967 9.187 -21.814 1.00 73.35 H new ATOM 0 HB3 LEU A 68 -12.733 9.833 -20.377 1.00 73.35 H new ATOM 0 HG LEU A 68 -10.030 8.475 -20.321 1.00 2.11 H new ATOM 0 HD11 LEU A 68 -9.054 10.738 -20.304 1.00 61.12 H new ATOM 0 HD12 LEU A 68 -9.916 10.401 -21.825 1.00 61.12 H new ATOM 0 HD13 LEU A 68 -10.669 11.431 -20.584 1.00 61.12 H new ATOM 0 HD21 LEU A 68 -9.791 9.696 -18.194 1.00 15.22 H new ATOM 0 HD22 LEU A 68 -11.436 10.349 -18.389 1.00 15.22 H new ATOM 0 HD23 LEU A 68 -11.193 8.599 -18.172 1.00 15.22 H new ATOM 1080 N GLN A 69 -14.468 7.197 -21.971 1.00 22.24 N ATOM 1081 CA GLN A 69 -15.855 7.145 -22.421 1.00 4.12 C ATOM 1082 C GLN A 69 -16.712 6.341 -21.448 1.00 23.11 C ATOM 1083 O GLN A 69 -17.801 6.769 -21.064 1.00 72.21 O ATOM 1084 CB GLN A 69 -15.936 6.529 -23.819 1.00 32.04 C ATOM 1085 CG GLN A 69 -16.941 7.218 -24.729 1.00 41.33 C ATOM 1086 CD GLN A 69 -18.369 7.063 -24.245 1.00 41.43 C ATOM 1087 OE1 GLN A 69 -18.756 6.005 -23.746 1.00 75.33 O ATOM 1088 NE2 GLN A 69 -19.161 8.118 -24.388 1.00 12.04 N ATOM 0 H GLN A 69 -13.794 6.818 -22.636 1.00 22.24 H new ATOM 0 HA GLN A 69 -16.238 8.165 -22.458 1.00 4.12 H new ATOM 0 HB2 GLN A 69 -14.950 6.570 -24.283 1.00 32.04 H new ATOM 0 HB3 GLN A 69 -16.202 5.476 -23.728 1.00 32.04 H new ATOM 0 HG2 GLN A 69 -16.697 8.278 -24.796 1.00 41.33 H new ATOM 0 HG3 GLN A 69 -16.856 6.807 -25.735 1.00 41.33 H new ATOM 0 HE21 GLN A 69 -18.799 8.975 -24.807 1.00 12.04 H new ATOM 0 HE22 GLN A 69 -20.132 8.072 -24.079 1.00 12.04 H new ATOM 1097 N THR A 70 -16.213 5.174 -21.053 1.00 72.01 N ATOM 1098 CA THR A 70 -16.934 4.310 -20.127 1.00 72.02 C ATOM 1099 C THR A 70 -16.049 3.902 -18.954 1.00 51.21 C ATOM 1100 O THR A 70 -16.021 2.735 -18.562 1.00 23.24 O ATOM 1101 CB THR A 70 -17.454 3.042 -20.830 1.00 52.24 C ATOM 1102 OG1 THR A 70 -16.373 2.365 -21.480 1.00 0.34 O ATOM 1103 CG2 THR A 70 -18.528 3.389 -21.849 1.00 62.25 C ATOM 0 H THR A 70 -15.313 4.806 -21.360 1.00 72.01 H new ATOM 0 HA THR A 70 -17.783 4.883 -19.755 1.00 72.02 H new ATOM 0 HB THR A 70 -17.891 2.388 -20.075 1.00 52.24 H new ATOM 0 HG1 THR A 70 -16.711 1.559 -21.923 1.00 0.34 H new ATOM 0 HG21 THR A 70 -18.879 2.477 -22.332 1.00 62.25 H new ATOM 0 HG22 THR A 70 -19.362 3.878 -21.346 1.00 62.25 H new ATOM 0 HG23 THR A 70 -18.113 4.061 -22.600 1.00 62.25 H new ATOM 1111 N GLY A 71 -15.328 4.869 -18.398 1.00 64.34 N ATOM 1112 CA GLY A 71 -14.451 4.590 -17.274 1.00 33.34 C ATOM 1113 C GLY A 71 -15.066 4.988 -15.948 1.00 52.53 C ATOM 1114 O GLY A 71 -15.353 6.162 -15.715 1.00 13.21 O ATOM 0 H GLY A 71 -15.334 5.842 -18.705 1.00 64.34 H new ATOM 0 HA2 GLY A 71 -14.214 3.526 -17.257 1.00 33.34 H new ATOM 0 HA3 GLY A 71 -13.510 5.124 -17.410 1.00 33.34 H new ATOM 1118 N SER A 72 -15.269 4.006 -15.073 1.00 24.22 N ATOM 1119 CA SER A 72 -15.859 4.259 -13.764 1.00 2.42 C ATOM 1120 C SER A 72 -15.095 5.356 -13.027 1.00 54.33 C ATOM 1121 O SER A 72 -14.035 5.794 -13.471 1.00 1.44 O ATOM 1122 CB SER A 72 -15.866 2.977 -12.929 1.00 62.44 C ATOM 1123 OG SER A 72 -14.960 2.022 -13.453 1.00 4.22 O ATOM 0 H SER A 72 -15.033 3.029 -15.248 1.00 24.22 H new ATOM 0 HA SER A 72 -16.886 4.593 -13.913 1.00 2.42 H new ATOM 0 HB2 SER A 72 -15.598 3.209 -11.898 1.00 62.44 H new ATOM 0 HB3 SER A 72 -16.872 2.557 -12.910 1.00 62.44 H new ATOM 0 HG SER A 72 -14.982 1.213 -12.901 1.00 4.22 H new ATOM 1129 N GLU A 73 -15.643 5.792 -11.898 1.00 32.52 N ATOM 1130 CA GLU A 73 -15.015 6.839 -11.099 1.00 3.40 C ATOM 1131 C GLU A 73 -13.557 6.498 -10.808 1.00 62.20 C ATOM 1132 O GLU A 73 -12.710 7.385 -10.709 1.00 20.44 O ATOM 1133 CB GLU A 73 -15.777 7.036 -9.786 1.00 4.02 C ATOM 1134 CG GLU A 73 -17.111 7.742 -9.957 1.00 13.43 C ATOM 1135 CD GLU A 73 -18.228 6.792 -10.344 1.00 24.51 C ATOM 1136 OE1 GLU A 73 -18.714 6.057 -9.459 1.00 11.34 O ATOM 1137 OE2 GLU A 73 -18.616 6.785 -11.531 1.00 2.40 O ATOM 0 H GLU A 73 -16.520 5.437 -11.515 1.00 32.52 H new ATOM 0 HA GLU A 73 -15.047 7.766 -11.671 1.00 3.40 H new ATOM 0 HB2 GLU A 73 -15.947 6.063 -9.325 1.00 4.02 H new ATOM 0 HB3 GLU A 73 -15.157 7.611 -9.098 1.00 4.02 H new ATOM 0 HG2 GLU A 73 -17.373 8.246 -9.027 1.00 13.43 H new ATOM 0 HG3 GLU A 73 -17.014 8.514 -10.721 1.00 13.43 H new ATOM 1144 N GLU A 74 -13.272 5.206 -10.670 1.00 73.30 N ATOM 1145 CA GLU A 74 -11.916 4.749 -10.388 1.00 33.21 C ATOM 1146 C GLU A 74 -10.968 5.127 -11.523 1.00 75.32 C ATOM 1147 O GLU A 74 -9.819 5.504 -11.287 1.00 40.13 O ATOM 1148 CB GLU A 74 -11.899 3.233 -10.179 1.00 74.40 C ATOM 1149 CG GLU A 74 -11.971 2.820 -8.719 1.00 73.10 C ATOM 1150 CD GLU A 74 -13.351 3.019 -8.123 1.00 64.43 C ATOM 1151 OE1 GLU A 74 -14.343 2.641 -8.781 1.00 3.33 O ATOM 1152 OE2 GLU A 74 -13.439 3.553 -6.997 1.00 53.51 O ATOM 0 H GLU A 74 -13.961 4.458 -10.749 1.00 73.30 H new ATOM 0 HA GLU A 74 -11.577 5.239 -9.475 1.00 33.21 H new ATOM 0 HB2 GLU A 74 -12.739 2.791 -10.715 1.00 74.40 H new ATOM 0 HB3 GLU A 74 -10.990 2.824 -10.619 1.00 74.40 H new ATOM 0 HG2 GLU A 74 -11.688 1.771 -8.628 1.00 73.10 H new ATOM 0 HG3 GLU A 74 -11.245 3.397 -8.146 1.00 73.10 H new ATOM 1159 N LEU A 75 -11.457 5.024 -12.753 1.00 24.41 N ATOM 1160 CA LEU A 75 -10.653 5.356 -13.925 1.00 15.30 C ATOM 1161 C LEU A 75 -10.320 6.843 -13.955 1.00 70.24 C ATOM 1162 O LEU A 75 -9.221 7.236 -14.348 1.00 41.25 O ATOM 1163 CB LEU A 75 -11.395 4.962 -15.204 1.00 3.43 C ATOM 1164 CG LEU A 75 -10.536 4.817 -16.461 1.00 10.13 C ATOM 1165 CD1 LEU A 75 -10.977 3.608 -17.272 1.00 30.44 C ATOM 1166 CD2 LEU A 75 -10.606 6.082 -17.303 1.00 21.25 C ATOM 0 H LEU A 75 -12.405 4.714 -12.966 1.00 24.41 H new ATOM 0 HA LEU A 75 -9.720 4.796 -13.865 1.00 15.30 H new ATOM 0 HB2 LEU A 75 -11.906 4.016 -15.027 1.00 3.43 H new ATOM 0 HB3 LEU A 75 -12.165 5.709 -15.398 1.00 3.43 H new ATOM 0 HG LEU A 75 -9.501 4.665 -16.156 1.00 10.13 H new ATOM 0 HD11 LEU A 75 -10.355 3.521 -18.163 1.00 30.44 H new ATOM 0 HD12 LEU A 75 -10.874 2.707 -16.667 1.00 30.44 H new ATOM 0 HD13 LEU A 75 -12.019 3.729 -17.568 1.00 30.44 H new ATOM 0 HD21 LEU A 75 -9.989 5.961 -18.193 1.00 21.25 H new ATOM 0 HD22 LEU A 75 -11.639 6.265 -17.599 1.00 21.25 H new ATOM 0 HD23 LEU A 75 -10.240 6.928 -16.720 1.00 21.25 H new ATOM 1178 N ARG A 76 -11.275 7.667 -13.536 1.00 72.21 N ATOM 1179 CA ARG A 76 -11.083 9.112 -13.513 1.00 31.23 C ATOM 1180 C ARG A 76 -9.947 9.494 -12.569 1.00 71.50 C ATOM 1181 O ARG A 76 -8.989 10.156 -12.970 1.00 11.53 O ATOM 1182 CB ARG A 76 -12.373 9.813 -13.086 1.00 34.22 C ATOM 1183 CG ARG A 76 -13.048 10.585 -14.208 1.00 74.02 C ATOM 1184 CD ARG A 76 -14.318 11.271 -13.728 1.00 23.34 C ATOM 1185 NE ARG A 76 -15.445 10.346 -13.654 1.00 31.32 N ATOM 1186 CZ ARG A 76 -16.087 9.882 -14.721 1.00 24.41 C ATOM 1187 NH1 ARG A 76 -15.712 10.254 -15.937 1.00 21.30 N ATOM 1188 NH2 ARG A 76 -17.104 9.043 -14.572 1.00 72.43 N ATOM 0 H ARG A 76 -12.190 7.358 -13.208 1.00 72.21 H new ATOM 0 HA ARG A 76 -10.819 9.434 -14.520 1.00 31.23 H new ATOM 0 HB2 ARG A 76 -13.069 9.069 -12.698 1.00 34.22 H new ATOM 0 HB3 ARG A 76 -12.150 10.498 -12.268 1.00 34.22 H new ATOM 0 HG2 ARG A 76 -12.358 11.330 -14.604 1.00 74.02 H new ATOM 0 HG3 ARG A 76 -13.287 9.905 -15.026 1.00 74.02 H new ATOM 0 HD2 ARG A 76 -14.144 11.710 -12.745 1.00 23.34 H new ATOM 0 HD3 ARG A 76 -14.565 12.090 -14.403 1.00 23.34 H new ATOM 0 HE ARG A 76 -15.757 10.039 -12.733 1.00 31.32 H new ATOM 0 HH11 ARG A 76 -14.929 10.897 -16.055 1.00 21.30 H new ATOM 0 HH12 ARG A 76 -16.206 9.897 -16.755 1.00 21.30 H new ATOM 0 HH21 ARG A 76 -17.394 8.754 -13.638 1.00 72.43 H new ATOM 0 HH22 ARG A 76 -17.596 8.687 -15.392 1.00 72.43 H new ATOM 1202 N SER A 77 -10.062 9.075 -11.313 1.00 3.31 N ATOM 1203 CA SER A 77 -9.047 9.377 -10.310 1.00 11.44 C ATOM 1204 C SER A 77 -7.657 8.993 -10.810 1.00 34.04 C ATOM 1205 O SER A 77 -6.714 9.780 -10.723 1.00 0.50 O ATOM 1206 CB SER A 77 -9.353 8.639 -9.005 1.00 30.32 C ATOM 1207 OG SER A 77 -10.187 9.417 -8.163 1.00 21.03 O ATOM 0 H SER A 77 -10.848 8.525 -10.965 1.00 3.31 H new ATOM 0 HA SER A 77 -9.064 10.451 -10.125 1.00 11.44 H new ATOM 0 HB2 SER A 77 -9.839 7.689 -9.226 1.00 30.32 H new ATOM 0 HB3 SER A 77 -8.422 8.408 -8.487 1.00 30.32 H new ATOM 0 HG SER A 77 -10.369 8.923 -7.337 1.00 21.03 H new ATOM 1213 N LEU A 78 -7.540 7.778 -11.335 1.00 2.30 N ATOM 1214 CA LEU A 78 -6.266 7.287 -11.850 1.00 31.15 C ATOM 1215 C LEU A 78 -5.717 8.221 -12.924 1.00 41.24 C ATOM 1216 O LEU A 78 -4.585 8.695 -12.828 1.00 42.21 O ATOM 1217 CB LEU A 78 -6.434 5.878 -12.421 1.00 0.43 C ATOM 1218 CG LEU A 78 -5.848 4.741 -11.584 1.00 11.32 C ATOM 1219 CD1 LEU A 78 -4.370 4.982 -11.315 1.00 31.11 C ATOM 1220 CD2 LEU A 78 -6.613 4.592 -10.276 1.00 3.01 C ATOM 0 H LEU A 78 -8.311 7.115 -11.415 1.00 2.30 H new ATOM 0 HA LEU A 78 -5.556 7.256 -11.024 1.00 31.15 H new ATOM 0 HB2 LEU A 78 -7.498 5.689 -12.560 1.00 0.43 H new ATOM 0 HB3 LEU A 78 -5.973 5.850 -13.408 1.00 0.43 H new ATOM 0 HG LEU A 78 -5.947 3.813 -12.147 1.00 11.32 H new ATOM 0 HD11 LEU A 78 -3.970 4.162 -10.718 1.00 31.11 H new ATOM 0 HD12 LEU A 78 -3.832 5.037 -12.261 1.00 31.11 H new ATOM 0 HD13 LEU A 78 -4.247 5.919 -10.773 1.00 31.11 H new ATOM 0 HD21 LEU A 78 -6.182 3.778 -9.693 1.00 3.01 H new ATOM 0 HD22 LEU A 78 -6.547 5.520 -9.708 1.00 3.01 H new ATOM 0 HD23 LEU A 78 -7.659 4.371 -10.489 1.00 3.01 H new ATOM 1232 N TYR A 79 -6.527 8.483 -13.943 1.00 64.31 N ATOM 1233 CA TYR A 79 -6.122 9.360 -15.035 1.00 33.32 C ATOM 1234 C TYR A 79 -5.579 10.682 -14.500 1.00 70.12 C ATOM 1235 O TYR A 79 -4.445 11.062 -14.789 1.00 60.42 O ATOM 1236 CB TYR A 79 -7.303 9.625 -15.971 1.00 53.51 C ATOM 1237 CG TYR A 79 -6.891 10.048 -17.362 1.00 61.22 C ATOM 1238 CD1 TYR A 79 -6.070 9.241 -18.140 1.00 51.22 C ATOM 1239 CD2 TYR A 79 -7.322 11.255 -17.898 1.00 4.32 C ATOM 1240 CE1 TYR A 79 -5.690 9.625 -19.412 1.00 41.12 C ATOM 1241 CE2 TYR A 79 -6.948 11.646 -19.170 1.00 40.54 C ATOM 1242 CZ TYR A 79 -6.132 10.827 -19.923 1.00 62.25 C ATOM 1243 OH TYR A 79 -5.756 11.213 -21.188 1.00 32.14 O ATOM 0 H TYR A 79 -7.468 8.101 -14.036 1.00 64.31 H new ATOM 0 HA TYR A 79 -5.330 8.860 -15.592 1.00 33.32 H new ATOM 0 HB2 TYR A 79 -7.910 8.723 -16.040 1.00 53.51 H new ATOM 0 HB3 TYR A 79 -7.933 10.401 -15.536 1.00 53.51 H new ATOM 0 HD1 TYR A 79 -5.723 8.298 -17.744 1.00 51.22 H new ATOM 0 HD2 TYR A 79 -7.960 11.899 -17.311 1.00 4.32 H new ATOM 0 HE1 TYR A 79 -5.050 8.987 -20.003 1.00 41.12 H new ATOM 0 HE2 TYR A 79 -7.293 12.587 -19.572 1.00 40.54 H new ATOM 0 HH TYR A 79 -6.154 12.084 -21.396 1.00 32.14 H new ATOM 1253 N ASN A 80 -6.397 11.376 -13.716 1.00 62.51 N ATOM 1254 CA ASN A 80 -6.000 12.655 -13.138 1.00 31.11 C ATOM 1255 C ASN A 80 -4.639 12.546 -12.458 1.00 4.22 C ATOM 1256 O ASN A 80 -3.718 13.305 -12.762 1.00 62.33 O ATOM 1257 CB ASN A 80 -7.049 13.131 -12.131 1.00 64.41 C ATOM 1258 CG ASN A 80 -8.126 13.981 -12.776 1.00 20.10 C ATOM 1259 OD1 ASN A 80 -8.374 13.882 -13.978 1.00 42.01 O ATOM 1260 ND2 ASN A 80 -8.772 14.824 -11.979 1.00 62.23 N ATOM 0 H ASN A 80 -7.339 11.075 -13.466 1.00 62.51 H new ATOM 0 HA ASN A 80 -5.925 13.383 -13.946 1.00 31.11 H new ATOM 0 HB2 ASN A 80 -7.510 12.266 -11.654 1.00 64.41 H new ATOM 0 HB3 ASN A 80 -6.559 13.705 -11.344 1.00 64.41 H new ATOM 0 HD21 ASN A 80 -9.506 15.422 -12.357 1.00 62.23 H new ATOM 0 HD22 ASN A 80 -8.534 14.873 -10.988 1.00 62.23 H new ATOM 1267 N THR A 81 -4.518 11.595 -11.537 1.00 4.11 N ATOM 1268 CA THR A 81 -3.270 11.385 -10.814 1.00 32.24 C ATOM 1269 C THR A 81 -2.124 11.078 -11.772 1.00 65.21 C ATOM 1270 O THR A 81 -1.143 11.820 -11.838 1.00 54.44 O ATOM 1271 CB THR A 81 -3.396 10.235 -9.797 1.00 60.52 C ATOM 1272 OG1 THR A 81 -4.499 10.478 -8.917 1.00 33.54 O ATOM 1273 CG2 THR A 81 -2.118 10.088 -8.987 1.00 44.53 C ATOM 0 H THR A 81 -5.270 10.958 -11.274 1.00 4.11 H new ATOM 0 HA THR A 81 -3.055 12.310 -10.280 1.00 32.24 H new ATOM 0 HB THR A 81 -3.568 9.310 -10.347 1.00 60.52 H new ATOM 0 HG1 THR A 81 -5.338 10.272 -9.380 1.00 33.54 H new ATOM 0 HG21 THR A 81 -2.230 9.270 -8.275 1.00 44.53 H new ATOM 0 HG22 THR A 81 -1.285 9.874 -9.657 1.00 44.53 H new ATOM 0 HG23 THR A 81 -1.921 11.014 -8.447 1.00 44.53 H new ATOM 1281 N ILE A 82 -2.255 9.983 -12.511 1.00 12.21 N ATOM 1282 CA ILE A 82 -1.231 9.580 -13.467 1.00 43.40 C ATOM 1283 C ILE A 82 -0.774 10.762 -14.314 1.00 13.34 C ATOM 1284 O ILE A 82 0.422 10.970 -14.513 1.00 22.45 O ATOM 1285 CB ILE A 82 -1.737 8.461 -14.397 1.00 52.13 C ATOM 1286 CG1 ILE A 82 -2.098 7.217 -13.583 1.00 40.45 C ATOM 1287 CG2 ILE A 82 -0.686 8.128 -15.445 1.00 20.13 C ATOM 1288 CD1 ILE A 82 -3.152 6.351 -14.237 1.00 30.11 C ATOM 0 H ILE A 82 -3.060 9.358 -12.467 1.00 12.21 H new ATOM 0 HA ILE A 82 -0.388 9.205 -12.887 1.00 43.40 H new ATOM 0 HB ILE A 82 -2.634 8.811 -14.908 1.00 52.13 H new ATOM 0 HG12 ILE A 82 -1.198 6.623 -13.425 1.00 40.45 H new ATOM 0 HG13 ILE A 82 -2.453 7.526 -12.600 1.00 40.45 H new ATOM 0 HG21 ILE A 82 -1.058 7.336 -16.095 1.00 20.13 H new ATOM 0 HG22 ILE A 82 -0.472 9.015 -16.041 1.00 20.13 H new ATOM 0 HG23 ILE A 82 0.227 7.794 -14.952 1.00 20.13 H new ATOM 0 HD11 ILE A 82 -3.358 5.488 -13.604 1.00 30.11 H new ATOM 0 HD12 ILE A 82 -4.066 6.929 -14.371 1.00 30.11 H new ATOM 0 HD13 ILE A 82 -2.792 6.011 -15.208 1.00 30.11 H new ATOM 1300 N ALA A 83 -1.735 11.534 -14.810 1.00 12.13 N ATOM 1301 CA ALA A 83 -1.432 12.698 -15.634 1.00 33.20 C ATOM 1302 C ALA A 83 -0.383 13.582 -14.968 1.00 4.35 C ATOM 1303 O ALA A 83 0.628 13.931 -15.579 1.00 15.45 O ATOM 1304 CB ALA A 83 -2.699 13.494 -15.909 1.00 72.24 C ATOM 0 H ALA A 83 -2.731 11.374 -14.656 1.00 12.13 H new ATOM 0 HA ALA A 83 -1.025 12.346 -16.582 1.00 33.20 H new ATOM 0 HB1 ALA A 83 -2.458 14.360 -16.525 1.00 72.24 H new ATOM 0 HB2 ALA A 83 -3.418 12.864 -16.433 1.00 72.24 H new ATOM 0 HB3 ALA A 83 -3.130 13.829 -14.966 1.00 72.24 H new ATOM 1310 N VAL A 84 -0.630 13.943 -13.713 1.00 3.11 N ATOM 1311 CA VAL A 84 0.295 14.787 -12.965 1.00 62.42 C ATOM 1312 C VAL A 84 1.672 14.142 -12.868 1.00 1.13 C ATOM 1313 O VAL A 84 2.694 14.802 -13.061 1.00 40.20 O ATOM 1314 CB VAL A 84 -0.229 15.070 -11.544 1.00 5.33 C ATOM 1315 CG1 VAL A 84 0.767 15.915 -10.767 1.00 64.43 C ATOM 1316 CG2 VAL A 84 -1.588 15.752 -11.604 1.00 4.30 C ATOM 0 H VAL A 84 -1.462 13.665 -13.193 1.00 3.11 H new ATOM 0 HA VAL A 84 0.376 15.728 -13.509 1.00 62.42 H new ATOM 0 HB VAL A 84 -0.348 14.120 -11.023 1.00 5.33 H new ATOM 0 HG11 VAL A 84 0.380 16.105 -9.766 1.00 64.43 H new ATOM 0 HG12 VAL A 84 1.716 15.384 -10.695 1.00 64.43 H new ATOM 0 HG13 VAL A 84 0.920 16.863 -11.283 1.00 64.43 H new ATOM 0 HG21 VAL A 84 -1.943 15.945 -10.592 1.00 4.30 H new ATOM 0 HG22 VAL A 84 -1.498 16.695 -12.143 1.00 4.30 H new ATOM 0 HG23 VAL A 84 -2.297 15.105 -12.121 1.00 4.30 H new ATOM 1326 N LEU A 85 1.694 12.847 -12.569 1.00 71.34 N ATOM 1327 CA LEU A 85 2.947 12.111 -12.446 1.00 60.11 C ATOM 1328 C LEU A 85 3.757 12.197 -13.735 1.00 3.24 C ATOM 1329 O LEU A 85 4.908 12.634 -13.730 1.00 44.44 O ATOM 1330 CB LEU A 85 2.669 10.648 -12.101 1.00 4.51 C ATOM 1331 CG LEU A 85 3.700 9.962 -11.203 1.00 74.21 C ATOM 1332 CD1 LEU A 85 3.039 9.437 -9.938 1.00 2.32 C ATOM 1333 CD2 LEU A 85 4.395 8.834 -11.952 1.00 65.52 C ATOM 0 H LEU A 85 0.858 12.286 -12.407 1.00 71.34 H new ATOM 0 HA LEU A 85 3.529 12.563 -11.643 1.00 60.11 H new ATOM 0 HB2 LEU A 85 1.696 10.589 -11.614 1.00 4.51 H new ATOM 0 HB3 LEU A 85 2.594 10.084 -13.031 1.00 4.51 H new ATOM 0 HG LEU A 85 4.452 10.698 -10.918 1.00 74.21 H new ATOM 0 HD11 LEU A 85 3.787 8.952 -9.311 1.00 2.32 H new ATOM 0 HD12 LEU A 85 2.590 10.266 -9.391 1.00 2.32 H new ATOM 0 HD13 LEU A 85 2.266 8.716 -10.204 1.00 2.32 H new ATOM 0 HD21 LEU A 85 5.125 8.358 -11.297 1.00 65.52 H new ATOM 0 HD22 LEU A 85 3.656 8.098 -12.268 1.00 65.52 H new ATOM 0 HD23 LEU A 85 4.903 9.238 -12.828 1.00 65.52 H new ATOM 1345 N TYR A 86 3.148 11.779 -14.840 1.00 51.14 N ATOM 1346 CA TYR A 86 3.812 11.808 -16.137 1.00 63.32 C ATOM 1347 C TYR A 86 4.406 13.186 -16.414 1.00 12.24 C ATOM 1348 O TYR A 86 5.571 13.307 -16.798 1.00 71.54 O ATOM 1349 CB TYR A 86 2.828 11.433 -17.247 1.00 41.34 C ATOM 1350 CG TYR A 86 3.376 11.645 -18.640 1.00 71.24 C ATOM 1351 CD1 TYR A 86 4.113 10.655 -19.277 1.00 60.22 C ATOM 1352 CD2 TYR A 86 3.156 12.837 -19.319 1.00 31.41 C ATOM 1353 CE1 TYR A 86 4.616 10.846 -20.549 1.00 71.13 C ATOM 1354 CE2 TYR A 86 3.653 13.036 -20.592 1.00 44.01 C ATOM 1355 CZ TYR A 86 4.383 12.038 -21.203 1.00 3.13 C ATOM 1356 OH TYR A 86 4.881 12.231 -22.471 1.00 20.54 O ATOM 0 H TYR A 86 2.195 11.416 -14.862 1.00 51.14 H new ATOM 0 HA TYR A 86 4.622 11.079 -16.118 1.00 63.32 H new ATOM 0 HB2 TYR A 86 2.546 10.386 -17.132 1.00 41.34 H new ATOM 0 HB3 TYR A 86 1.919 12.023 -17.130 1.00 41.34 H new ATOM 0 HD1 TYR A 86 4.296 9.720 -18.769 1.00 60.22 H new ATOM 0 HD2 TYR A 86 2.586 13.622 -18.843 1.00 31.41 H new ATOM 0 HE1 TYR A 86 5.189 10.066 -21.029 1.00 71.13 H new ATOM 0 HE2 TYR A 86 3.471 13.968 -21.106 1.00 44.01 H new ATOM 0 HH TYR A 86 4.627 13.122 -22.790 1.00 20.54 H new ATOM 1366 N CYS A 87 3.599 14.222 -16.217 1.00 54.04 N ATOM 1367 CA CYS A 87 4.042 15.593 -16.445 1.00 3.13 C ATOM 1368 C CYS A 87 5.330 15.881 -15.681 1.00 52.05 C ATOM 1369 O CYS A 87 6.266 16.471 -16.219 1.00 22.35 O ATOM 1370 CB CYS A 87 2.953 16.580 -16.025 1.00 12.41 C ATOM 1371 SG CYS A 87 1.831 17.054 -17.362 1.00 13.23 S ATOM 0 H CYS A 87 2.633 14.139 -15.899 1.00 54.04 H new ATOM 0 HA CYS A 87 4.238 15.713 -17.510 1.00 3.13 H new ATOM 0 HB2 CYS A 87 2.371 16.139 -15.216 1.00 12.41 H new ATOM 0 HB3 CYS A 87 3.425 17.478 -15.626 1.00 12.41 H new ATOM 0 HG CYS A 87 0.944 17.889 -16.909 1.00 13.23 H new ATOM 1377 N VAL A 88 5.369 15.463 -14.419 1.00 72.33 N ATOM 1378 CA VAL A 88 6.542 15.677 -13.579 1.00 32.11 C ATOM 1379 C VAL A 88 7.779 15.028 -14.187 1.00 42.45 C ATOM 1380 O VAL A 88 8.842 15.645 -14.266 1.00 35.25 O ATOM 1381 CB VAL A 88 6.325 15.116 -12.160 1.00 22.51 C ATOM 1382 CG1 VAL A 88 7.542 15.388 -11.289 1.00 51.51 C ATOM 1383 CG2 VAL A 88 5.071 15.712 -11.539 1.00 50.45 C ATOM 0 H VAL A 88 4.602 14.975 -13.956 1.00 72.33 H new ATOM 0 HA VAL A 88 6.695 16.754 -13.517 1.00 32.11 H new ATOM 0 HB VAL A 88 6.191 14.037 -12.230 1.00 22.51 H new ATOM 0 HG11 VAL A 88 7.372 14.985 -10.290 1.00 51.51 H new ATOM 0 HG12 VAL A 88 8.418 14.911 -11.728 1.00 51.51 H new ATOM 0 HG13 VAL A 88 7.709 16.463 -11.223 1.00 51.51 H new ATOM 0 HG21 VAL A 88 4.932 15.305 -10.537 1.00 50.45 H new ATOM 0 HG22 VAL A 88 5.174 16.795 -11.480 1.00 50.45 H new ATOM 0 HG23 VAL A 88 4.207 15.463 -12.154 1.00 50.45 H new ATOM 1393 N HIS A 89 7.635 13.778 -14.615 1.00 31.53 N ATOM 1394 CA HIS A 89 8.743 13.043 -15.219 1.00 54.23 C ATOM 1395 C HIS A 89 9.321 13.812 -16.404 1.00 51.34 C ATOM 1396 O HIS A 89 10.541 13.771 -16.560 1.00 21.53 O ATOM 1397 CB HIS A 89 8.277 11.659 -15.673 1.00 1.02 C ATOM 1398 CG HIS A 89 8.148 10.674 -14.552 1.00 74.43 C ATOM 1399 ND1 HIS A 89 8.880 10.758 -13.388 1.00 45.25 N ATOM 1400 CD2 HIS A 89 7.363 9.578 -14.422 1.00 33.41 C ATOM 1401 CE1 HIS A 89 8.553 9.757 -12.590 1.00 15.00 C ATOM 1402 NE2 HIS A 89 7.633 9.027 -13.195 1.00 51.24 N ATOM 0 H HIS A 89 6.763 13.252 -14.555 1.00 31.53 H new ATOM 0 HA HIS A 89 9.524 12.927 -14.467 1.00 54.23 H new ATOM 0 HB2 HIS A 89 7.314 11.755 -16.174 1.00 1.02 H new ATOM 0 HB3 HIS A 89 8.982 11.270 -16.408 1.00 1.02 H new ATOM 0 HD1 HIS A 89 9.568 11.481 -13.175 1.00 45.25 H new ATOM 0 HD2 HIS A 89 6.656 9.207 -15.149 1.00 33.41 H new ATOM 0 HE1 HIS A 89 8.967 9.568 -11.611 1.00 15.00 H new ATOM 0 HE2 HIS A 89 7.195 8.190 -12.812 1.00 51.24 H new ATOM 1411 N GLN A 90 8.509 14.484 -17.212 1.00 71.40 N ATOM 1412 CA GLN A 90 9.017 15.232 -18.356 1.00 71.30 C ATOM 1413 C GLN A 90 9.397 16.653 -17.952 1.00 12.13 C ATOM 1414 O GLN A 90 9.547 17.531 -18.803 1.00 31.12 O ATOM 1415 CB GLN A 90 7.973 15.268 -19.473 1.00 53.50 C ATOM 1416 CG GLN A 90 7.963 14.018 -20.338 1.00 51.12 C ATOM 1417 CD GLN A 90 8.965 14.085 -21.472 1.00 21.40 C ATOM 1418 OE1 GLN A 90 10.001 13.420 -21.442 1.00 73.03 O ATOM 1419 NE2 GLN A 90 8.663 14.891 -22.484 1.00 73.25 N ATOM 0 H GLN A 90 7.496 14.526 -17.096 1.00 71.40 H new ATOM 0 HA GLN A 90 9.911 14.726 -18.721 1.00 71.30 H new ATOM 0 HB2 GLN A 90 6.985 15.402 -19.032 1.00 53.50 H new ATOM 0 HB3 GLN A 90 8.160 16.136 -20.106 1.00 53.50 H new ATOM 0 HG2 GLN A 90 8.181 13.149 -19.717 1.00 51.12 H new ATOM 0 HG3 GLN A 90 6.964 13.873 -20.749 1.00 51.12 H new ATOM 0 HE21 GLN A 90 7.794 15.425 -22.469 1.00 73.25 H new ATOM 0 HE22 GLN A 90 9.300 14.976 -23.276 1.00 73.25 H new ATOM 1428 N ARG A 91 9.550 16.872 -16.651 1.00 44.02 N ATOM 1429 CA ARG A 91 9.911 18.187 -16.135 1.00 21.45 C ATOM 1430 C ARG A 91 8.859 19.227 -16.513 1.00 3.30 C ATOM 1431 O ARG A 91 9.191 20.341 -16.918 1.00 71.34 O ATOM 1432 CB ARG A 91 11.279 18.612 -16.673 1.00 71.51 C ATOM 1433 CG ARG A 91 12.416 17.708 -16.227 1.00 2.21 C ATOM 1434 CD ARG A 91 13.644 17.882 -17.106 1.00 5.23 C ATOM 1435 NE ARG A 91 14.283 19.180 -16.903 1.00 51.33 N ATOM 1436 CZ ARG A 91 15.212 19.676 -17.712 1.00 63.43 C ATOM 1437 NH1 ARG A 91 15.609 18.988 -18.773 1.00 42.10 N ATOM 1438 NH2 ARG A 91 15.746 20.864 -17.460 1.00 24.41 N ATOM 0 H ARG A 91 9.430 16.156 -15.934 1.00 44.02 H new ATOM 0 HA ARG A 91 9.960 18.122 -15.048 1.00 21.45 H new ATOM 0 HB2 ARG A 91 11.243 18.626 -17.762 1.00 71.51 H new ATOM 0 HB3 ARG A 91 11.487 19.631 -16.348 1.00 71.51 H new ATOM 0 HG2 ARG A 91 12.674 17.930 -15.192 1.00 2.21 H new ATOM 0 HG3 ARG A 91 12.089 16.669 -16.258 1.00 2.21 H new ATOM 0 HD2 ARG A 91 14.359 17.088 -16.891 1.00 5.23 H new ATOM 0 HD3 ARG A 91 13.358 17.778 -18.153 1.00 5.23 H new ATOM 0 HE ARG A 91 14.000 19.736 -16.096 1.00 51.33 H new ATOM 0 HH11 ARG A 91 15.201 18.074 -18.970 1.00 42.10 H new ATOM 0 HH12 ARG A 91 16.323 19.372 -19.392 1.00 42.10 H new ATOM 0 HH21 ARG A 91 15.443 21.397 -16.645 1.00 24.41 H new ATOM 0 HH22 ARG A 91 16.460 21.245 -18.082 1.00 24.41 H new ATOM 1452 N ILE A 92 7.592 18.853 -16.378 1.00 72.21 N ATOM 1453 CA ILE A 92 6.492 19.753 -16.704 1.00 72.21 C ATOM 1454 C ILE A 92 5.852 20.321 -15.441 1.00 2.52 C ATOM 1455 O ILE A 92 5.246 19.589 -14.658 1.00 32.32 O ATOM 1456 CB ILE A 92 5.411 19.041 -17.538 1.00 13.11 C ATOM 1457 CG1 ILE A 92 6.019 18.466 -18.819 1.00 72.32 C ATOM 1458 CG2 ILE A 92 4.278 20.002 -17.869 1.00 41.23 C ATOM 1459 CD1 ILE A 92 5.028 17.705 -19.670 1.00 1.41 C ATOM 0 H ILE A 92 7.301 17.934 -16.045 1.00 72.21 H new ATOM 0 HA ILE A 92 6.915 20.568 -17.291 1.00 72.21 H new ATOM 0 HB ILE A 92 5.004 18.218 -16.950 1.00 13.11 H new ATOM 0 HG12 ILE A 92 6.441 19.280 -19.408 1.00 72.32 H new ATOM 0 HG13 ILE A 92 6.843 17.803 -18.555 1.00 72.32 H new ATOM 0 HG21 ILE A 92 3.522 19.484 -18.459 1.00 41.23 H new ATOM 0 HG22 ILE A 92 3.830 20.368 -16.945 1.00 41.23 H new ATOM 0 HG23 ILE A 92 4.670 20.844 -18.440 1.00 41.23 H new ATOM 0 HD11 ILE A 92 5.529 17.326 -20.561 1.00 1.41 H new ATOM 0 HD12 ILE A 92 4.624 16.870 -19.098 1.00 1.41 H new ATOM 0 HD13 ILE A 92 4.216 18.370 -19.965 1.00 1.41 H new ATOM 1471 N ASP A 93 5.991 21.628 -15.250 1.00 5.23 N ATOM 1472 CA ASP A 93 5.425 22.295 -14.084 1.00 43.03 C ATOM 1473 C ASP A 93 3.988 22.730 -14.352 1.00 52.20 C ATOM 1474 O ASP A 93 3.732 23.558 -15.227 1.00 74.44 O ATOM 1475 CB ASP A 93 6.276 23.506 -13.700 1.00 74.33 C ATOM 1476 CG ASP A 93 7.051 23.287 -12.416 1.00 13.51 C ATOM 1477 OD1 ASP A 93 7.691 22.221 -12.284 1.00 30.25 O ATOM 1478 OD2 ASP A 93 7.019 24.178 -11.543 1.00 34.44 O ATOM 0 H ASP A 93 6.491 22.247 -15.888 1.00 5.23 H new ATOM 0 HA ASP A 93 5.422 21.587 -13.256 1.00 43.03 H new ATOM 0 HB2 ASP A 93 6.973 23.727 -14.508 1.00 74.33 H new ATOM 0 HB3 ASP A 93 5.632 24.378 -13.587 1.00 74.33 H new ATOM 1483 N VAL A 94 3.053 22.166 -13.593 1.00 15.15 N ATOM 1484 CA VAL A 94 1.641 22.496 -13.748 1.00 21.25 C ATOM 1485 C VAL A 94 1.113 23.242 -12.528 1.00 3.24 C ATOM 1486 O VAL A 94 1.663 23.129 -11.432 1.00 42.33 O ATOM 1487 CB VAL A 94 0.790 21.232 -13.971 1.00 22.05 C ATOM 1488 CG1 VAL A 94 1.319 20.433 -15.153 1.00 4.35 C ATOM 1489 CG2 VAL A 94 0.762 20.381 -12.712 1.00 54.51 C ATOM 0 H VAL A 94 3.248 21.479 -12.865 1.00 15.15 H new ATOM 0 HA VAL A 94 1.561 23.138 -14.625 1.00 21.25 H new ATOM 0 HB VAL A 94 -0.231 21.538 -14.198 1.00 22.05 H new ATOM 0 HG11 VAL A 94 0.705 19.544 -15.295 1.00 4.35 H new ATOM 0 HG12 VAL A 94 1.282 21.047 -16.053 1.00 4.35 H new ATOM 0 HG13 VAL A 94 2.349 20.135 -14.959 1.00 4.35 H new ATOM 0 HG21 VAL A 94 0.156 19.492 -12.887 1.00 54.51 H new ATOM 0 HG22 VAL A 94 1.778 20.083 -12.452 1.00 54.51 H new ATOM 0 HG23 VAL A 94 0.332 20.957 -11.893 1.00 54.51 H new ATOM 1499 N LYS A 95 0.043 24.005 -12.724 1.00 2.32 N ATOM 1500 CA LYS A 95 -0.562 24.769 -11.640 1.00 43.23 C ATOM 1501 C LYS A 95 -1.500 23.893 -10.815 1.00 35.11 C ATOM 1502 O LYS A 95 -1.878 24.251 -9.700 1.00 54.33 O ATOM 1503 CB LYS A 95 -1.327 25.970 -12.200 1.00 53.24 C ATOM 1504 CG LYS A 95 -1.885 26.889 -11.127 1.00 63.02 C ATOM 1505 CD LYS A 95 -2.672 28.038 -11.732 1.00 73.53 C ATOM 1506 CE LYS A 95 -1.754 29.147 -12.221 1.00 31.32 C ATOM 1507 NZ LYS A 95 -2.183 30.484 -11.723 1.00 24.14 N ATOM 0 H LYS A 95 -0.423 24.111 -13.625 1.00 2.32 H new ATOM 0 HA LYS A 95 0.237 25.127 -10.990 1.00 43.23 H new ATOM 0 HB2 LYS A 95 -0.664 26.543 -12.848 1.00 53.24 H new ATOM 0 HB3 LYS A 95 -2.147 25.610 -12.821 1.00 53.24 H new ATOM 0 HG2 LYS A 95 -2.529 26.319 -10.457 1.00 63.02 H new ATOM 0 HG3 LYS A 95 -1.068 27.284 -10.524 1.00 63.02 H new ATOM 0 HD2 LYS A 95 -3.274 27.670 -12.563 1.00 73.53 H new ATOM 0 HD3 LYS A 95 -3.363 28.437 -10.990 1.00 73.53 H new ATOM 0 HE2 LYS A 95 -0.735 28.947 -11.891 1.00 31.32 H new ATOM 0 HE3 LYS A 95 -1.740 29.153 -13.311 1.00 31.32 H new ATOM 0 HZ1 LYS A 95 -1.531 31.212 -12.079 1.00 24.14 H new ATOM 0 HZ2 LYS A 95 -3.146 30.687 -12.059 1.00 24.14 H new ATOM 0 HZ3 LYS A 95 -2.171 30.487 -10.683 1.00 24.14 H new ATOM 1521 N ASP A 96 -1.871 22.745 -11.370 1.00 30.12 N ATOM 1522 CA ASP A 96 -2.763 21.817 -10.685 1.00 15.33 C ATOM 1523 C ASP A 96 -3.034 20.587 -11.546 1.00 24.35 C ATOM 1524 O ASP A 96 -2.540 20.481 -12.670 1.00 74.03 O ATOM 1525 CB ASP A 96 -4.082 22.509 -10.334 1.00 12.34 C ATOM 1526 CG ASP A 96 -4.564 23.429 -11.439 1.00 35.02 C ATOM 1527 OD1 ASP A 96 -4.993 22.917 -12.495 1.00 41.43 O ATOM 1528 OD2 ASP A 96 -4.514 24.662 -11.247 1.00 54.02 O ATOM 0 H ASP A 96 -1.568 22.434 -12.293 1.00 30.12 H new ATOM 0 HA ASP A 96 -2.274 21.494 -9.766 1.00 15.33 H new ATOM 0 HB2 ASP A 96 -4.843 21.755 -10.135 1.00 12.34 H new ATOM 0 HB3 ASP A 96 -3.955 23.083 -9.416 1.00 12.34 H new ATOM 1533 N THR A 97 -3.820 19.658 -11.011 1.00 44.33 N ATOM 1534 CA THR A 97 -4.153 18.433 -11.729 1.00 61.22 C ATOM 1535 C THR A 97 -4.998 18.732 -12.962 1.00 54.24 C ATOM 1536 O THR A 97 -5.222 17.858 -13.799 1.00 35.33 O ATOM 1537 CB THR A 97 -4.913 17.443 -10.826 1.00 34.13 C ATOM 1538 OG1 THR A 97 -4.214 17.271 -9.590 1.00 42.41 O ATOM 1539 CG2 THR A 97 -5.075 16.097 -11.516 1.00 11.42 C ATOM 0 H THR A 97 -4.238 19.730 -10.083 1.00 44.33 H new ATOM 0 HA THR A 97 -3.211 17.981 -12.039 1.00 61.22 H new ATOM 0 HB THR A 97 -5.903 17.853 -10.627 1.00 34.13 H new ATOM 0 HG1 THR A 97 -3.904 16.344 -9.516 1.00 42.41 H new ATOM 0 HG21 THR A 97 -5.614 15.414 -10.860 1.00 11.42 H new ATOM 0 HG22 THR A 97 -5.635 16.228 -12.442 1.00 11.42 H new ATOM 0 HG23 THR A 97 -4.092 15.683 -11.741 1.00 11.42 H new ATOM 1547 N LYS A 98 -5.464 19.972 -13.067 1.00 21.31 N ATOM 1548 CA LYS A 98 -6.284 20.388 -14.200 1.00 45.24 C ATOM 1549 C LYS A 98 -5.411 20.784 -15.386 1.00 15.32 C ATOM 1550 O LYS A 98 -5.555 20.241 -16.482 1.00 25.21 O ATOM 1551 CB LYS A 98 -7.184 21.559 -13.801 1.00 63.51 C ATOM 1552 CG LYS A 98 -8.534 21.553 -14.498 1.00 60.32 C ATOM 1553 CD LYS A 98 -8.499 22.357 -15.787 1.00 74.12 C ATOM 1554 CE LYS A 98 -9.221 21.633 -16.913 1.00 73.41 C ATOM 1555 NZ LYS A 98 -9.993 22.574 -17.772 1.00 51.42 N ATOM 0 H LYS A 98 -5.288 20.707 -12.382 1.00 21.31 H new ATOM 0 HA LYS A 98 -6.907 19.544 -14.496 1.00 45.24 H new ATOM 0 HB2 LYS A 98 -7.341 21.535 -12.723 1.00 63.51 H new ATOM 0 HB3 LYS A 98 -6.672 22.494 -14.028 1.00 63.51 H new ATOM 0 HG2 LYS A 98 -8.827 20.526 -14.716 1.00 60.32 H new ATOM 0 HG3 LYS A 98 -9.291 21.966 -13.831 1.00 60.32 H new ATOM 0 HD2 LYS A 98 -8.961 23.330 -15.623 1.00 74.12 H new ATOM 0 HD3 LYS A 98 -7.464 22.540 -16.075 1.00 74.12 H new ATOM 0 HE2 LYS A 98 -8.495 21.096 -17.524 1.00 73.41 H new ATOM 0 HE3 LYS A 98 -9.896 20.888 -16.492 1.00 73.41 H new ATOM 0 HZ1 LYS A 98 -10.471 22.042 -18.527 1.00 51.42 H new ATOM 0 HZ2 LYS A 98 -10.703 23.068 -17.195 1.00 51.42 H new ATOM 0 HZ3 LYS A 98 -9.345 23.269 -18.194 1.00 51.42 H new ATOM 1569 N GLU A 99 -4.506 21.731 -15.160 1.00 12.23 N ATOM 1570 CA GLU A 99 -3.611 22.198 -16.212 1.00 44.41 C ATOM 1571 C GLU A 99 -2.670 21.083 -16.660 1.00 51.42 C ATOM 1572 O GLU A 99 -2.048 21.169 -17.718 1.00 64.41 O ATOM 1573 CB GLU A 99 -2.799 23.400 -15.724 1.00 23.31 C ATOM 1574 CG GLU A 99 -3.533 24.724 -15.855 1.00 14.13 C ATOM 1575 CD GLU A 99 -3.085 25.522 -17.065 1.00 72.32 C ATOM 1576 OE1 GLU A 99 -3.399 25.104 -18.199 1.00 25.50 O ATOM 1577 OE2 GLU A 99 -2.423 26.563 -16.877 1.00 65.23 O ATOM 0 H GLU A 99 -4.373 22.189 -14.259 1.00 12.23 H new ATOM 0 HA GLU A 99 -4.219 22.501 -17.064 1.00 44.41 H new ATOM 0 HB2 GLU A 99 -2.529 23.246 -14.679 1.00 23.31 H new ATOM 0 HB3 GLU A 99 -1.868 23.453 -16.289 1.00 23.31 H new ATOM 0 HG2 GLU A 99 -4.604 24.536 -15.925 1.00 14.13 H new ATOM 0 HG3 GLU A 99 -3.371 25.316 -14.954 1.00 14.13 H new ATOM 1584 N ALA A 100 -2.571 20.037 -15.845 1.00 31.22 N ATOM 1585 CA ALA A 100 -1.708 18.905 -16.158 1.00 15.15 C ATOM 1586 C ALA A 100 -2.355 17.992 -17.194 1.00 1.52 C ATOM 1587 O ALA A 100 -1.681 17.470 -18.083 1.00 21.05 O ATOM 1588 CB ALA A 100 -1.383 18.124 -14.893 1.00 32.22 C ATOM 0 H ALA A 100 -3.078 19.951 -14.964 1.00 31.22 H new ATOM 0 HA ALA A 100 -0.781 19.292 -16.581 1.00 15.15 H new ATOM 0 HB1 ALA A 100 -0.738 17.281 -15.141 1.00 32.22 H new ATOM 0 HB2 ALA A 100 -0.872 18.776 -14.184 1.00 32.22 H new ATOM 0 HB3 ALA A 100 -2.306 17.755 -14.446 1.00 32.22 H new ATOM 1594 N LEU A 101 -3.664 17.802 -17.074 1.00 52.33 N ATOM 1595 CA LEU A 101 -4.402 16.950 -18.000 1.00 50.42 C ATOM 1596 C LEU A 101 -4.541 17.620 -19.364 1.00 61.54 C ATOM 1597 O LEU A 101 -4.657 16.948 -20.388 1.00 40.53 O ATOM 1598 CB LEU A 101 -5.786 16.627 -17.434 1.00 21.13 C ATOM 1599 CG LEU A 101 -5.819 15.660 -16.250 1.00 24.35 C ATOM 1600 CD1 LEU A 101 -6.951 16.018 -15.300 1.00 21.24 C ATOM 1601 CD2 LEU A 101 -5.962 14.226 -16.737 1.00 22.04 C ATOM 0 H LEU A 101 -4.237 18.227 -16.344 1.00 52.33 H new ATOM 0 HA LEU A 101 -3.843 16.023 -18.127 1.00 50.42 H new ATOM 0 HB2 LEU A 101 -6.258 17.561 -17.128 1.00 21.13 H new ATOM 0 HB3 LEU A 101 -6.396 16.209 -18.235 1.00 21.13 H new ATOM 0 HG LEU A 101 -4.877 15.746 -15.708 1.00 24.35 H new ATOM 0 HD11 LEU A 101 -6.959 15.319 -14.464 1.00 21.24 H new ATOM 0 HD12 LEU A 101 -6.805 17.031 -14.925 1.00 21.24 H new ATOM 0 HD13 LEU A 101 -7.902 15.961 -15.829 1.00 21.24 H new ATOM 0 HD21 LEU A 101 -5.984 13.552 -15.881 1.00 22.04 H new ATOM 0 HD22 LEU A 101 -6.888 14.124 -17.303 1.00 22.04 H new ATOM 0 HD23 LEU A 101 -5.117 13.973 -17.377 1.00 22.04 H new ATOM 1613 N ASP A 102 -4.525 18.949 -19.368 1.00 71.01 N ATOM 1614 CA ASP A 102 -4.647 19.710 -20.605 1.00 24.45 C ATOM 1615 C ASP A 102 -3.404 19.538 -21.472 1.00 23.44 C ATOM 1616 O ASP A 102 -3.500 19.230 -22.661 1.00 60.21 O ATOM 1617 CB ASP A 102 -4.868 21.192 -20.297 1.00 31.54 C ATOM 1618 CG ASP A 102 -5.875 21.833 -21.232 1.00 44.15 C ATOM 1619 OD1 ASP A 102 -6.109 21.276 -22.325 1.00 71.21 O ATOM 1620 OD2 ASP A 102 -6.429 22.892 -20.871 1.00 75.43 O ATOM 0 H ASP A 102 -4.429 19.521 -18.529 1.00 71.01 H new ATOM 0 HA ASP A 102 -5.508 19.329 -21.155 1.00 24.45 H new ATOM 0 HB2 ASP A 102 -5.212 21.299 -19.268 1.00 31.54 H new ATOM 0 HB3 ASP A 102 -3.918 21.721 -20.372 1.00 31.54 H new ATOM 1625 N LYS A 103 -2.236 19.740 -20.871 1.00 21.42 N ATOM 1626 CA LYS A 103 -0.972 19.608 -21.588 1.00 74.25 C ATOM 1627 C LYS A 103 -0.814 18.202 -22.156 1.00 0.02 C ATOM 1628 O LYS A 103 -0.050 17.986 -23.098 1.00 50.24 O ATOM 1629 CB LYS A 103 0.200 19.929 -20.658 1.00 25.02 C ATOM 1630 CG LYS A 103 1.043 21.103 -21.125 1.00 2.24 C ATOM 1631 CD LYS A 103 2.269 20.638 -21.894 1.00 32.41 C ATOM 1632 CE LYS A 103 2.434 21.405 -23.197 1.00 53.32 C ATOM 1633 NZ LYS A 103 3.154 22.692 -22.995 1.00 22.51 N ATOM 0 H LYS A 103 -2.138 19.996 -19.888 1.00 21.42 H new ATOM 0 HA LYS A 103 -0.976 20.317 -22.416 1.00 74.25 H new ATOM 0 HB2 LYS A 103 -0.186 20.143 -19.661 1.00 25.02 H new ATOM 0 HB3 LYS A 103 0.836 19.048 -20.571 1.00 25.02 H new ATOM 0 HG2 LYS A 103 0.441 21.755 -21.758 1.00 2.24 H new ATOM 0 HG3 LYS A 103 1.355 21.694 -20.264 1.00 2.24 H new ATOM 0 HD2 LYS A 103 3.158 20.770 -21.278 1.00 32.41 H new ATOM 0 HD3 LYS A 103 2.184 19.572 -22.106 1.00 32.41 H new ATOM 0 HE2 LYS A 103 2.981 20.791 -23.913 1.00 53.32 H new ATOM 0 HE3 LYS A 103 1.453 21.602 -23.629 1.00 53.32 H new ATOM 0 HZ1 LYS A 103 3.246 23.185 -23.906 1.00 22.51 H new ATOM 0 HZ2 LYS A 103 2.620 23.288 -22.331 1.00 22.51 H new ATOM 0 HZ3 LYS A 103 4.100 22.503 -22.606 1.00 22.51 H new ATOM 1647 N ILE A 104 -1.542 17.250 -21.580 1.00 63.42 N ATOM 1648 CA ILE A 104 -1.483 15.866 -22.032 1.00 33.14 C ATOM 1649 C ILE A 104 -2.589 15.569 -23.039 1.00 54.12 C ATOM 1650 O ILE A 104 -2.466 14.662 -23.861 1.00 4.12 O ATOM 1651 CB ILE A 104 -1.600 14.883 -20.852 1.00 34.23 C ATOM 1652 CG1 ILE A 104 -0.483 15.133 -19.839 1.00 65.54 C ATOM 1653 CG2 ILE A 104 -1.557 13.447 -21.353 1.00 75.14 C ATOM 1654 CD1 ILE A 104 -0.718 14.463 -18.503 1.00 61.43 C ATOM 0 H ILE A 104 -2.179 17.413 -20.800 1.00 63.42 H new ATOM 0 HA ILE A 104 -0.513 15.731 -22.511 1.00 33.14 H new ATOM 0 HB ILE A 104 -2.557 15.046 -20.356 1.00 34.23 H new ATOM 0 HG12 ILE A 104 0.460 14.777 -20.254 1.00 65.54 H new ATOM 0 HG13 ILE A 104 -0.377 16.207 -19.684 1.00 65.54 H new ATOM 0 HG21 ILE A 104 -1.641 12.764 -20.508 1.00 75.14 H new ATOM 0 HG22 ILE A 104 -2.385 13.277 -22.041 1.00 75.14 H new ATOM 0 HG23 ILE A 104 -0.614 13.270 -21.870 1.00 75.14 H new ATOM 0 HD11 ILE A 104 0.114 14.683 -17.834 1.00 61.43 H new ATOM 0 HD12 ILE A 104 -1.644 14.837 -18.066 1.00 61.43 H new ATOM 0 HD13 ILE A 104 -0.794 13.385 -18.645 1.00 61.43 H new