USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 866 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 67 THR OG1 : rot 147:sc= 0.777 USER MOD Set 1.2: A 82 MET CE :methyl 173:sc= -0.455 (180deg=-0.778) USER MOD Set 2.1: A 13 THR OG1 : rot 20:sc= 0.365 USER MOD Set 2.2: A 16 THR OG1 : rot 94:sc= 0.693 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 CYS SG : rot 50:sc= -2.11! USER MOD Single : A 12 HIS : no HE2:sc= 0.904 K(o=0.9,f=-6.2!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 20 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.6!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 27 SER OG : rot 81:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 150:sc= -3.29! USER MOD Single : A 38 SER OG : rot 84:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= -0.0761 (180deg=-0.282) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0276) USER MOD Single : A 59 ASN : amide:sc= -0.22 K(o=-0.22,f=-0.76) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= -1.12! (180deg=-1.35!) USER MOD Single : A 71 LYS NZ :NH3+ 141:sc= 1.23 (180deg=1.13) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -1:sc= 0.976 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 86 MET CE :methyl -133:sc= -1.69! (180deg=-3.57) USER MOD Single : A 89 LYS NZ :NH3+ 168:sc= -0.0171 (180deg=-0.176) USER MOD Single : A 92 LYS NZ :NH3+ -142:sc= 0.95 (180deg=0.207) USER MOD Single : A 96 LYS NZ :NH3+ 163:sc= -0.0985 (180deg=-0.395) USER MOD Single : A 101 LYS NZ :NH3+ 171:sc= 1.09 (180deg=0.871) USER MOD Single : A 102 LYS NZ :NH3+ -142:sc= -0.402! (180deg=-3.68!) USER MOD Single : A 106 GLN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 107 SER OG : rot 71:sc= 0.106 USER MOD Single : A 108 THR OG1 : rot 69:sc= 0.842 USER MOD Single : A 111 LYS NZ :NH3+ 173:sc=-0.00833 (180deg=-0.0925) USER MOD Single : A 112 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.150 -2.423 -11.923 1.00 0.00 N ATOM 70 CA GLY A 6 -3.322 -3.589 -11.706 1.00 0.00 C ATOM 71 C GLY A 6 -1.883 -3.242 -11.475 1.00 0.00 C ATOM 72 O GLY A 6 -1.023 -4.114 -11.455 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.700 -4.143 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.398 -4.249 -12.570 1.00 0.00 H new ATOM 76 N GLN A 7 -1.625 -1.980 -11.294 1.00 0.00 N ATOM 77 CA GLN A 7 -0.296 -1.512 -11.081 1.00 0.00 C ATOM 78 C GLN A 7 -0.196 -0.603 -9.900 1.00 0.00 C ATOM 79 O GLN A 7 -1.071 0.226 -9.636 1.00 0.00 O ATOM 80 CB GLN A 7 0.310 -0.911 -12.334 1.00 0.00 C ATOM 81 CG GLN A 7 -0.571 0.103 -13.040 1.00 0.00 C ATOM 82 CD GLN A 7 0.057 0.632 -14.305 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.132 0.077 -15.384 1.00 0.00 O ATOM 84 NE2 GLN A 7 0.808 1.688 -14.185 1.00 0.00 N ATOM 0 H GLN A 7 -2.335 -1.248 -11.291 1.00 0.00 H new ATOM 0 HA GLN A 7 0.307 -2.388 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.253 -0.432 -12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.544 -1.716 -13.030 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.530 -0.357 -13.279 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.776 0.934 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.939 2.119 -13.270 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.265 2.085 -15.006 1.00 0.00 H new ATOM 93 N VAL A 8 0.856 -0.804 -9.190 1.00 0.00 N ATOM 94 CA VAL A 8 1.153 -0.118 -7.949 1.00 0.00 C ATOM 95 C VAL A 8 2.440 0.696 -8.122 1.00 0.00 C ATOM 96 O VAL A 8 3.362 0.237 -8.807 1.00 0.00 O ATOM 97 CB VAL A 8 1.341 -1.175 -6.824 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.643 -0.537 -5.503 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.113 -2.067 -6.715 1.00 0.00 C ATOM 0 H VAL A 8 1.575 -1.477 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 8 0.337 0.554 -7.683 1.00 0.00 H new ATOM 0 HB VAL A 8 2.199 -1.789 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.767 -1.311 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.561 0.045 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.821 0.120 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.265 -2.800 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.760 -1.457 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.046 -2.584 -7.661 1.00 0.00 H new ATOM 109 N ILE A 9 2.510 1.890 -7.542 1.00 0.00 N ATOM 110 CA ILE A 9 3.702 2.703 -7.682 1.00 0.00 C ATOM 111 C ILE A 9 4.737 2.298 -6.634 1.00 0.00 C ATOM 112 O ILE A 9 4.529 2.480 -5.436 1.00 0.00 O ATOM 113 CB ILE A 9 3.381 4.215 -7.543 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.371 4.636 -8.621 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.663 5.054 -7.646 1.00 0.00 C ATOM 116 CD1 ILE A 9 1.964 6.089 -8.550 1.00 0.00 C ATOM 0 H ILE A 9 1.767 2.306 -6.981 1.00 0.00 H new ATOM 0 HA ILE A 9 4.105 2.533 -8.681 1.00 0.00 H new ATOM 0 HB ILE A 9 2.942 4.391 -6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.800 4.437 -9.603 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.480 4.015 -8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.415 6.111 -7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.351 4.766 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.134 4.882 -8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.250 6.306 -9.344 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.504 6.291 -7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.845 6.720 -8.672 1.00 0.00 H new ATOM 128 N ALA A 10 5.831 1.748 -7.076 1.00 0.00 N ATOM 129 CA ALA A 10 6.873 1.338 -6.177 1.00 0.00 C ATOM 130 C ALA A 10 7.908 2.433 -6.063 1.00 0.00 C ATOM 131 O ALA A 10 8.590 2.752 -7.033 1.00 0.00 O ATOM 132 CB ALA A 10 7.513 0.040 -6.655 1.00 0.00 C ATOM 0 H ALA A 10 6.026 1.572 -8.062 1.00 0.00 H new ATOM 0 HA ALA A 10 6.441 1.157 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.300 -0.255 -5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.757 -0.744 -6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.940 0.189 -7.647 1.00 0.00 H new ATOM 138 N CYS A 11 8.004 3.030 -4.900 1.00 0.00 N ATOM 139 CA CYS A 11 8.955 4.066 -4.675 1.00 0.00 C ATOM 140 C CYS A 11 10.253 3.450 -4.218 1.00 0.00 C ATOM 141 O CYS A 11 10.252 2.418 -3.550 1.00 0.00 O ATOM 142 CB CYS A 11 8.431 5.030 -3.632 1.00 0.00 C ATOM 143 SG CYS A 11 6.857 5.804 -4.072 1.00 0.00 S ATOM 0 H CYS A 11 7.423 2.805 -4.092 1.00 0.00 H new ATOM 0 HA CYS A 11 9.124 4.619 -5.599 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.312 4.498 -2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.174 5.810 -3.467 1.00 0.00 H new ATOM 0 HG CYS A 11 6.011 4.888 -4.442 1.00 0.00 H new ATOM 149 N HIS A 12 11.355 4.046 -4.593 1.00 0.00 N ATOM 150 CA HIS A 12 12.653 3.507 -4.226 1.00 0.00 C ATOM 151 C HIS A 12 13.468 4.548 -3.494 1.00 0.00 C ATOM 152 O HIS A 12 14.651 4.352 -3.243 1.00 0.00 O ATOM 153 CB HIS A 12 13.414 3.017 -5.468 1.00 0.00 C ATOM 154 CG HIS A 12 12.698 1.964 -6.260 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.908 0.619 -6.099 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.761 2.075 -7.226 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.140 -0.048 -6.919 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.429 0.807 -7.620 1.00 0.00 N ATOM 0 H HIS A 12 11.388 4.900 -5.149 1.00 0.00 H new ATOM 0 HA HIS A 12 12.491 2.656 -3.564 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.612 3.870 -6.117 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.381 2.623 -5.154 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.564 0.202 -5.439 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.350 2.994 -7.616 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.097 -1.124 -7.006 1.00 0.00 H new ATOM 167 N THR A 13 12.827 5.654 -3.139 1.00 0.00 N ATOM 168 CA THR A 13 13.481 6.739 -2.414 1.00 0.00 C ATOM 169 C THR A 13 12.502 7.376 -1.435 1.00 0.00 C ATOM 170 O THR A 13 11.291 7.457 -1.728 1.00 0.00 O ATOM 171 CB THR A 13 14.004 7.838 -3.386 1.00 0.00 C ATOM 172 OG1 THR A 13 12.951 8.288 -4.244 1.00 0.00 O ATOM 173 CG2 THR A 13 15.176 7.357 -4.215 1.00 0.00 C ATOM 0 H THR A 13 11.843 5.825 -3.344 1.00 0.00 H new ATOM 0 HA THR A 13 14.328 6.312 -1.877 1.00 0.00 H new ATOM 0 HB THR A 13 14.353 8.669 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.085 8.061 -3.846 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.506 8.157 -4.877 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.995 7.071 -3.555 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.872 6.496 -4.810 1.00 0.00 H new ATOM 181 N VAL A 14 12.999 7.828 -0.284 1.00 0.00 N ATOM 182 CA VAL A 14 12.152 8.492 0.703 1.00 0.00 C ATOM 183 C VAL A 14 11.758 9.890 0.191 1.00 0.00 C ATOM 184 O VAL A 14 10.725 10.455 0.583 1.00 0.00 O ATOM 185 CB VAL A 14 12.833 8.584 2.122 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.101 9.420 2.104 1.00 0.00 C ATOM 187 CG2 VAL A 14 11.858 9.100 3.179 1.00 0.00 C ATOM 0 H VAL A 14 13.979 7.747 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 14 11.255 7.886 0.831 1.00 0.00 H new ATOM 0 HB VAL A 14 13.121 7.568 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.530 9.451 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.820 8.976 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.864 10.433 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.361 9.151 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.510 10.094 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.006 8.424 3.249 1.00 0.00 H new ATOM 197 N GLU A 15 12.580 10.420 -0.715 1.00 0.00 N ATOM 198 CA GLU A 15 12.349 11.711 -1.332 1.00 0.00 C ATOM 199 C GLU A 15 11.044 11.665 -2.147 1.00 0.00 C ATOM 200 O GLU A 15 10.163 12.520 -1.978 1.00 0.00 O ATOM 201 CB GLU A 15 13.537 12.059 -2.235 1.00 0.00 C ATOM 202 CG GLU A 15 13.538 13.478 -2.776 1.00 0.00 C ATOM 203 CD GLU A 15 13.588 14.506 -1.672 1.00 0.00 C ATOM 204 OE1 GLU A 15 14.665 14.688 -1.064 1.00 0.00 O ATOM 205 OE2 GLU A 15 12.552 15.128 -1.377 1.00 0.00 O ATOM 0 H GLU A 15 13.429 9.956 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 15 12.253 12.479 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.459 11.899 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.550 11.366 -3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.395 13.613 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.643 13.637 -3.378 1.00 0.00 H new ATOM 212 N THR A 16 10.921 10.654 -3.009 1.00 0.00 N ATOM 213 CA THR A 16 9.713 10.465 -3.795 1.00 0.00 C ATOM 214 C THR A 16 8.546 10.073 -2.878 1.00 0.00 C ATOM 215 O THR A 16 7.442 10.566 -3.029 1.00 0.00 O ATOM 216 CB THR A 16 9.924 9.379 -4.883 1.00 0.00 C ATOM 217 OG1 THR A 16 11.007 9.770 -5.737 1.00 0.00 O ATOM 218 CG2 THR A 16 8.667 9.183 -5.726 1.00 0.00 C ATOM 0 H THR A 16 11.646 9.957 -3.176 1.00 0.00 H new ATOM 0 HA THR A 16 9.477 11.406 -4.293 1.00 0.00 H new ATOM 0 HB THR A 16 10.152 8.437 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.840 9.366 -5.415 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.849 8.416 -6.478 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.843 8.873 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.410 10.120 -6.219 1.00 0.00 H new ATOM 226 N TRP A 17 8.838 9.219 -1.911 1.00 0.00 N ATOM 227 CA TRP A 17 7.864 8.737 -0.935 1.00 0.00 C ATOM 228 C TRP A 17 7.126 9.885 -0.224 1.00 0.00 C ATOM 229 O TRP A 17 5.890 9.926 -0.218 1.00 0.00 O ATOM 230 CB TRP A 17 8.591 7.841 0.070 1.00 0.00 C ATOM 231 CG TRP A 17 7.800 7.466 1.273 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.016 7.910 2.539 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.667 6.601 1.337 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.110 7.370 3.390 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.260 6.560 2.680 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.958 5.857 0.395 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.181 5.805 3.106 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.885 5.110 0.822 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.507 5.091 2.171 1.00 0.00 C ATOM 0 H TRP A 17 9.772 8.833 -1.777 1.00 0.00 H new ATOM 0 HA TRP A 17 7.095 8.168 -1.458 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.902 6.929 -0.439 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.498 8.349 0.396 1.00 0.00 H new ATOM 0 HD1 TRP A 17 8.799 8.596 2.826 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.067 7.538 4.395 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.245 5.867 -0.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.887 5.785 4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.324 4.528 0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.659 4.494 2.473 1.00 0.00 H new ATOM 250 N ASN A 18 7.886 10.814 0.346 1.00 0.00 N ATOM 251 CA ASN A 18 7.307 11.948 1.078 1.00 0.00 C ATOM 252 C ASN A 18 6.434 12.786 0.145 1.00 0.00 C ATOM 253 O ASN A 18 5.359 13.261 0.528 1.00 0.00 O ATOM 254 CB ASN A 18 8.417 12.824 1.661 1.00 0.00 C ATOM 255 CG ASN A 18 7.892 13.941 2.560 1.00 0.00 C ATOM 256 OD1 ASN A 18 6.864 13.790 3.236 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.582 15.057 2.572 1.00 0.00 N ATOM 0 H ASN A 18 8.906 10.809 0.318 1.00 0.00 H new ATOM 0 HA ASN A 18 6.694 11.558 1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.102 12.198 2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.991 13.263 0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.277 15.839 3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.423 15.143 2.001 1.00 0.00 H new ATOM 264 N GLU A 19 6.902 12.925 -1.083 1.00 0.00 N ATOM 265 CA GLU A 19 6.220 13.681 -2.120 1.00 0.00 C ATOM 266 C GLU A 19 4.869 13.049 -2.465 1.00 0.00 C ATOM 267 O GLU A 19 3.852 13.748 -2.544 1.00 0.00 O ATOM 268 CB GLU A 19 7.110 13.760 -3.358 1.00 0.00 C ATOM 269 CG GLU A 19 6.506 14.491 -4.533 1.00 0.00 C ATOM 270 CD GLU A 19 7.457 14.579 -5.689 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.508 13.641 -6.508 1.00 0.00 O ATOM 272 OE2 GLU A 19 8.172 15.592 -5.795 1.00 0.00 O ATOM 0 H GLU A 19 7.780 12.509 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 19 6.026 14.688 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.044 14.251 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.363 12.747 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.597 13.980 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.216 15.496 -4.225 1.00 0.00 H new ATOM 279 N GLN A 20 4.860 11.732 -2.649 1.00 0.00 N ATOM 280 CA GLN A 20 3.675 11.011 -2.977 1.00 0.00 C ATOM 281 C GLN A 20 2.626 11.163 -1.892 1.00 0.00 C ATOM 282 O GLN A 20 1.445 11.383 -2.180 1.00 0.00 O ATOM 283 CB GLN A 20 4.003 9.559 -3.150 1.00 0.00 C ATOM 284 CG GLN A 20 5.013 9.212 -4.248 1.00 0.00 C ATOM 285 CD GLN A 20 4.590 9.603 -5.659 1.00 0.00 C ATOM 286 OE1 GLN A 20 3.874 10.580 -5.884 1.00 0.00 O ATOM 287 NE2 GLN A 20 5.028 8.836 -6.619 1.00 0.00 N ATOM 0 H GLN A 20 5.692 11.147 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 20 3.274 11.417 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.386 9.181 -2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.077 9.022 -3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.959 9.703 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.198 8.138 -4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.619 8.034 -6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.779 9.038 -7.587 1.00 0.00 H new ATOM 296 N LEU A 21 3.059 11.060 -0.646 1.00 0.00 N ATOM 297 CA LEU A 21 2.202 11.193 0.466 1.00 0.00 C ATOM 298 C LEU A 21 1.657 12.586 0.583 1.00 0.00 C ATOM 299 O LEU A 21 0.476 12.754 0.817 1.00 0.00 O ATOM 300 CB LEU A 21 2.926 10.813 1.706 1.00 0.00 C ATOM 301 CG LEU A 21 3.321 9.353 1.882 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.031 9.178 3.204 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.098 8.441 1.809 1.00 0.00 C ATOM 0 H LEU A 21 4.032 10.879 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 21 1.354 10.523 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.834 11.414 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.305 11.096 2.556 1.00 0.00 H new ATOM 0 HG LEU A 21 3.993 9.073 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.314 8.133 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.926 9.800 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.367 9.474 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.409 7.404 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.396 8.710 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.615 8.557 0.839 1.00 0.00 H new ATOM 315 N GLN A 22 2.519 13.576 0.420 1.00 0.00 N ATOM 316 CA GLN A 22 2.104 14.971 0.447 1.00 0.00 C ATOM 317 C GLN A 22 0.997 15.199 -0.565 1.00 0.00 C ATOM 318 O GLN A 22 -0.038 15.796 -0.254 1.00 0.00 O ATOM 319 CB GLN A 22 3.282 15.879 0.120 1.00 0.00 C ATOM 320 CG GLN A 22 2.917 17.351 0.047 1.00 0.00 C ATOM 321 CD GLN A 22 4.079 18.208 -0.361 1.00 0.00 C ATOM 322 OE1 GLN A 22 5.229 17.893 -0.074 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.798 19.282 -1.037 1.00 0.00 N ATOM 0 H GLN A 22 3.518 13.439 0.266 1.00 0.00 H new ATOM 0 HA GLN A 22 1.739 15.206 1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.055 15.743 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.712 15.573 -0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.102 17.486 -0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.550 17.680 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.828 19.508 -1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.548 19.899 -1.349 1.00 0.00 H new ATOM 332 N LYS A 23 1.210 14.685 -1.757 1.00 0.00 N ATOM 333 CA LYS A 23 0.265 14.807 -2.831 1.00 0.00 C ATOM 334 C LYS A 23 -1.057 14.121 -2.484 1.00 0.00 C ATOM 335 O LYS A 23 -2.128 14.687 -2.716 1.00 0.00 O ATOM 336 CB LYS A 23 0.869 14.247 -4.117 1.00 0.00 C ATOM 337 CG LYS A 23 -0.026 14.335 -5.335 1.00 0.00 C ATOM 338 CD LYS A 23 0.707 13.842 -6.557 1.00 0.00 C ATOM 339 CE LYS A 23 -0.161 13.899 -7.791 1.00 0.00 C ATOM 340 NZ LYS A 23 0.579 13.469 -8.991 1.00 0.00 N ATOM 0 H LYS A 23 2.053 14.167 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 23 0.043 15.863 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.797 14.780 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.132 13.202 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.926 13.741 -5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.347 15.366 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.601 14.446 -6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.039 12.817 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.034 13.262 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.528 14.916 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.046 13.520 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.398 14.093 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.907 12.490 -8.864 1.00 0.00 H new ATOM 354 N ALA A 24 -0.987 12.929 -1.901 1.00 0.00 N ATOM 355 CA ALA A 24 -2.194 12.194 -1.541 1.00 0.00 C ATOM 356 C ALA A 24 -2.911 12.867 -0.371 1.00 0.00 C ATOM 357 O ALA A 24 -4.139 12.939 -0.335 1.00 0.00 O ATOM 358 CB ALA A 24 -1.856 10.751 -1.197 1.00 0.00 C ATOM 0 H ALA A 24 -0.115 12.454 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.864 12.199 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.768 10.217 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.393 10.270 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.164 10.730 -0.355 1.00 0.00 H new ATOM 364 N ASN A 25 -2.126 13.374 0.559 1.00 0.00 N ATOM 365 CA ASN A 25 -2.618 14.027 1.772 1.00 0.00 C ATOM 366 C ASN A 25 -3.356 15.291 1.424 1.00 0.00 C ATOM 367 O ASN A 25 -4.505 15.494 1.818 1.00 0.00 O ATOM 368 CB ASN A 25 -1.426 14.410 2.642 1.00 0.00 C ATOM 369 CG ASN A 25 -1.811 14.947 4.013 1.00 0.00 C ATOM 370 OD1 ASN A 25 -2.014 16.148 4.188 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.888 14.071 4.990 1.00 0.00 N ATOM 0 H ASN A 25 -1.108 13.347 0.498 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.286 13.341 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.787 13.536 2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.835 15.163 2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.123 14.379 5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.713 13.083 4.805 1.00 0.00 H new ATOM 378 N GLU A 26 -2.684 16.133 0.682 1.00 0.00 N ATOM 379 CA GLU A 26 -3.222 17.428 0.274 1.00 0.00 C ATOM 380 C GLU A 26 -4.452 17.284 -0.636 1.00 0.00 C ATOM 381 O GLU A 26 -5.408 18.071 -0.537 1.00 0.00 O ATOM 382 CB GLU A 26 -2.138 18.288 -0.393 1.00 0.00 C ATOM 383 CG GLU A 26 -2.623 19.658 -0.833 1.00 0.00 C ATOM 384 CD GLU A 26 -1.536 20.499 -1.441 1.00 0.00 C ATOM 385 OE1 GLU A 26 -1.211 20.306 -2.627 1.00 0.00 O ATOM 386 OE2 GLU A 26 -0.992 21.369 -0.744 1.00 0.00 O ATOM 0 H GLU A 26 -1.742 15.949 0.336 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.554 17.937 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.308 18.413 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.748 17.755 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.429 19.537 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.042 20.182 0.026 1.00 0.00 H new ATOM 393 N SER A 27 -4.440 16.291 -1.498 1.00 0.00 N ATOM 394 CA SER A 27 -5.542 16.073 -2.406 1.00 0.00 C ATOM 395 C SER A 27 -6.662 15.272 -1.726 1.00 0.00 C ATOM 396 O SER A 27 -7.755 15.144 -2.269 1.00 0.00 O ATOM 397 CB SER A 27 -5.041 15.344 -3.635 1.00 0.00 C ATOM 398 OG SER A 27 -3.929 16.034 -4.198 1.00 0.00 O ATOM 0 H SER A 27 -3.677 15.621 -1.588 1.00 0.00 H new ATOM 0 HA SER A 27 -5.955 17.038 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.751 14.327 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.841 15.266 -4.372 1.00 0.00 H new ATOM 0 HG SER A 27 -3.117 15.809 -3.697 1.00 0.00 H new ATOM 404 N LYS A 28 -6.362 14.738 -0.530 1.00 0.00 N ATOM 405 CA LYS A 28 -7.301 13.947 0.272 1.00 0.00 C ATOM 406 C LYS A 28 -7.744 12.675 -0.445 1.00 0.00 C ATOM 407 O LYS A 28 -8.855 12.174 -0.240 1.00 0.00 O ATOM 408 CB LYS A 28 -8.487 14.786 0.713 1.00 0.00 C ATOM 409 CG LYS A 28 -8.098 15.943 1.620 1.00 0.00 C ATOM 410 CD LYS A 28 -9.308 16.721 2.097 1.00 0.00 C ATOM 411 CE LYS A 28 -8.886 17.860 3.006 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.043 18.605 3.547 1.00 0.00 N ATOM 0 H LYS A 28 -5.448 14.847 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.769 13.628 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.994 15.178 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.201 14.148 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.550 15.560 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.424 16.612 1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.854 17.116 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.988 16.056 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.294 17.463 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.243 18.544 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.705 19.373 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.595 19.007 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.644 17.960 4.098 1.00 0.00 H new ATOM 426 N THR A 29 -6.852 12.130 -1.229 1.00 0.00 N ATOM 427 CA THR A 29 -7.117 10.917 -1.947 1.00 0.00 C ATOM 428 C THR A 29 -6.730 9.731 -1.061 1.00 0.00 C ATOM 429 O THR A 29 -5.782 9.809 -0.263 1.00 0.00 O ATOM 430 CB THR A 29 -6.318 10.863 -3.248 1.00 0.00 C ATOM 431 OG1 THR A 29 -6.469 12.118 -3.939 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.839 9.748 -4.157 1.00 0.00 C ATOM 0 H THR A 29 -5.921 12.517 -1.386 1.00 0.00 H new ATOM 0 HA THR A 29 -8.177 10.878 -2.199 1.00 0.00 H new ATOM 0 HB THR A 29 -5.272 10.671 -3.008 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.958 12.095 -4.775 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.256 9.727 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.746 8.789 -3.647 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.887 9.932 -4.395 1.00 0.00 H new ATOM 440 N LEU A 30 -7.475 8.681 -1.166 1.00 0.00 N ATOM 441 CA LEU A 30 -7.265 7.487 -0.370 1.00 0.00 C ATOM 442 C LEU A 30 -6.004 6.764 -0.903 1.00 0.00 C ATOM 443 O LEU A 30 -5.882 6.513 -2.111 1.00 0.00 O ATOM 444 CB LEU A 30 -8.542 6.595 -0.467 1.00 0.00 C ATOM 445 CG LEU A 30 -8.706 5.367 0.471 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.086 4.781 0.276 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.682 4.283 0.207 1.00 0.00 C ATOM 0 H LEU A 30 -8.261 8.613 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.102 7.724 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.403 7.243 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.605 6.230 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.559 5.719 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.211 3.918 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.838 5.532 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.206 4.470 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.847 3.452 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.781 3.931 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.680 4.684 0.358 1.00 0.00 H new ATOM 459 N VAL A 31 -5.085 6.451 -0.012 1.00 0.00 N ATOM 460 CA VAL A 31 -3.836 5.828 -0.386 1.00 0.00 C ATOM 461 C VAL A 31 -3.592 4.538 0.425 1.00 0.00 C ATOM 462 O VAL A 31 -3.848 4.490 1.630 1.00 0.00 O ATOM 463 CB VAL A 31 -2.644 6.836 -0.227 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.504 7.338 1.206 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.334 6.246 -0.726 1.00 0.00 C ATOM 0 H VAL A 31 -5.184 6.622 0.989 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.899 5.546 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.881 7.696 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.666 8.033 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.421 7.847 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.325 6.494 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.534 6.976 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.099 5.347 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.428 5.992 -1.782 1.00 0.00 H new ATOM 475 N VAL A 32 -3.142 3.502 -0.245 1.00 0.00 N ATOM 476 CA VAL A 32 -2.820 2.233 0.385 1.00 0.00 C ATOM 477 C VAL A 32 -1.396 1.846 0.010 1.00 0.00 C ATOM 478 O VAL A 32 -1.027 1.887 -1.165 1.00 0.00 O ATOM 479 CB VAL A 32 -3.794 1.108 -0.040 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.440 -0.218 0.628 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.238 1.481 0.257 1.00 0.00 C ATOM 0 H VAL A 32 -2.986 3.512 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.915 2.355 1.464 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.689 0.985 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.144 -0.986 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.429 -0.510 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.494 -0.106 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.895 0.669 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.356 1.654 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.499 2.388 -0.288 1.00 0.00 H new ATOM 491 N VAL A 33 -0.603 1.497 0.991 1.00 0.00 N ATOM 492 CA VAL A 33 0.793 1.175 0.763 1.00 0.00 C ATOM 493 C VAL A 33 1.133 -0.159 1.400 1.00 0.00 C ATOM 494 O VAL A 33 0.812 -0.387 2.570 1.00 0.00 O ATOM 495 CB VAL A 33 1.721 2.258 1.378 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.181 1.953 1.075 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.336 3.657 0.904 1.00 0.00 C ATOM 0 H VAL A 33 -0.898 1.427 1.965 1.00 0.00 H new ATOM 0 HA VAL A 33 0.949 1.131 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 33 1.590 2.236 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.813 2.724 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.445 0.983 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.332 1.933 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.005 4.390 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.417 3.709 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.310 3.872 1.201 1.00 0.00 H new ATOM 507 N ASP A 34 1.747 -1.046 0.651 1.00 0.00 N ATOM 508 CA ASP A 34 2.158 -2.271 1.160 1.00 0.00 C ATOM 509 C ASP A 34 3.671 -2.267 1.380 1.00 0.00 C ATOM 510 O ASP A 34 4.454 -1.859 0.504 1.00 0.00 O ATOM 511 CB ASP A 34 1.750 -3.392 0.221 1.00 0.00 C ATOM 512 CG ASP A 34 2.517 -3.468 -1.087 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.357 -2.578 -1.952 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.243 -4.449 -1.293 1.00 0.00 O ATOM 0 H ASP A 34 1.963 -0.906 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 34 1.672 -2.438 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.867 -4.341 0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.690 -3.282 -0.007 1.00 0.00 H new ATOM 519 N PHE A 35 4.068 -2.644 2.562 1.00 0.00 N ATOM 520 CA PHE A 35 5.442 -2.768 2.897 1.00 0.00 C ATOM 521 C PHE A 35 5.817 -4.228 2.765 1.00 0.00 C ATOM 522 O PHE A 35 5.286 -5.085 3.492 1.00 0.00 O ATOM 523 CB PHE A 35 5.665 -2.291 4.329 1.00 0.00 C ATOM 524 CG PHE A 35 5.346 -0.834 4.554 1.00 0.00 C ATOM 525 CD1 PHE A 35 4.070 -0.432 4.923 1.00 0.00 C ATOM 526 CD2 PHE A 35 6.326 0.131 4.398 1.00 0.00 C ATOM 527 CE1 PHE A 35 3.781 0.903 5.126 1.00 0.00 C ATOM 528 CE2 PHE A 35 6.041 1.468 4.600 1.00 0.00 C ATOM 529 CZ PHE A 35 4.767 1.854 4.967 1.00 0.00 C ATOM 0 H PHE A 35 3.431 -2.875 3.324 1.00 0.00 H new ATOM 0 HA PHE A 35 6.059 -2.160 2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.052 -2.893 5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.705 -2.470 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.294 -1.172 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.325 -0.165 4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.783 1.202 5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.814 2.211 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.543 2.898 5.129 1.00 0.00 H new ATOM 539 N THR A 36 6.722 -4.517 1.877 1.00 0.00 N ATOM 540 CA THR A 36 7.061 -5.875 1.561 1.00 0.00 C ATOM 541 C THR A 36 8.496 -5.926 1.030 1.00 0.00 C ATOM 542 O THR A 36 9.137 -4.904 0.900 1.00 0.00 O ATOM 543 CB THR A 36 6.063 -6.399 0.468 1.00 0.00 C ATOM 544 OG1 THR A 36 6.281 -7.782 0.176 1.00 0.00 O ATOM 545 CG2 THR A 36 6.199 -5.597 -0.824 1.00 0.00 C ATOM 0 H THR A 36 7.247 -3.818 1.351 1.00 0.00 H new ATOM 0 HA THR A 36 6.990 -6.501 2.450 1.00 0.00 H new ATOM 0 HB THR A 36 5.059 -6.275 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.435 -8.197 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.497 -5.979 -1.565 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.981 -4.548 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.216 -5.691 -1.205 1.00 0.00 H new ATOM 553 N ALA A 37 8.989 -7.103 0.751 1.00 0.00 N ATOM 554 CA ALA A 37 10.299 -7.264 0.169 1.00 0.00 C ATOM 555 C ALA A 37 10.218 -8.272 -0.932 1.00 0.00 C ATOM 556 O ALA A 37 9.621 -9.344 -0.757 1.00 0.00 O ATOM 557 CB ALA A 37 11.329 -7.683 1.193 1.00 0.00 C ATOM 0 H ALA A 37 8.495 -7.979 0.920 1.00 0.00 H new ATOM 0 HA ALA A 37 10.621 -6.301 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.300 -7.792 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.396 -6.925 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.036 -8.635 1.636 1.00 0.00 H new ATOM 563 N SER A 38 10.819 -7.950 -2.037 1.00 0.00 N ATOM 564 CA SER A 38 10.803 -8.778 -3.223 1.00 0.00 C ATOM 565 C SER A 38 11.424 -10.181 -2.979 1.00 0.00 C ATOM 566 O SER A 38 11.064 -11.151 -3.651 1.00 0.00 O ATOM 567 CB SER A 38 11.533 -8.046 -4.341 1.00 0.00 C ATOM 568 OG SER A 38 10.987 -6.733 -4.517 1.00 0.00 O ATOM 0 H SER A 38 11.349 -7.086 -2.150 1.00 0.00 H new ATOM 0 HA SER A 38 9.765 -8.953 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.595 -7.977 -4.106 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.448 -8.610 -5.270 1.00 0.00 H new ATOM 0 HG SER A 38 11.399 -6.119 -3.874 1.00 0.00 H new ATOM 574 N TRP A 39 12.339 -10.287 -2.011 1.00 0.00 N ATOM 575 CA TRP A 39 12.957 -11.576 -1.689 1.00 0.00 C ATOM 576 C TRP A 39 12.105 -12.433 -0.754 1.00 0.00 C ATOM 577 O TRP A 39 12.419 -13.600 -0.510 1.00 0.00 O ATOM 578 CB TRP A 39 14.397 -11.427 -1.133 1.00 0.00 C ATOM 579 CG TRP A 39 14.577 -10.498 0.060 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.225 -9.313 0.041 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.126 -10.677 1.431 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.218 -8.741 1.284 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.552 -9.545 2.151 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.412 -11.665 2.115 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.293 -9.374 3.505 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.153 -11.491 3.461 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.591 -10.353 4.141 1.00 0.00 C ATOM 0 H TRP A 39 12.665 -9.505 -1.443 1.00 0.00 H new ATOM 0 HA TRP A 39 13.021 -12.102 -2.641 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.757 -12.416 -0.851 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.038 -11.073 -1.940 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.685 -8.877 -0.834 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.648 -7.847 1.522 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.068 -12.550 1.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 14.636 -8.497 4.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.602 -12.249 3.997 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.369 -10.247 5.193 1.00 0.00 H new ATOM 598 N CYS A 40 11.029 -11.886 -0.269 1.00 0.00 N ATOM 599 CA CYS A 40 10.203 -12.589 0.693 1.00 0.00 C ATOM 600 C CYS A 40 9.136 -13.411 -0.018 1.00 0.00 C ATOM 601 O CYS A 40 8.358 -12.876 -0.804 1.00 0.00 O ATOM 602 CB CYS A 40 9.583 -11.587 1.681 1.00 0.00 C ATOM 603 SG CYS A 40 8.367 -12.294 2.846 1.00 0.00 S ATOM 0 H CYS A 40 10.695 -10.955 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 40 10.824 -13.283 1.260 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.385 -11.124 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.098 -10.793 1.112 1.00 0.00 H new ATOM 608 N GLY A 41 9.119 -14.716 0.270 1.00 0.00 N ATOM 609 CA GLY A 41 8.204 -15.663 -0.377 1.00 0.00 C ATOM 610 C GLY A 41 6.733 -15.284 -0.268 1.00 0.00 C ATOM 611 O GLY A 41 6.125 -14.904 -1.275 1.00 0.00 O ATOM 0 H GLY A 41 9.738 -15.146 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.469 -15.745 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.347 -16.649 0.065 1.00 0.00 H new ATOM 615 N PRO A 42 6.129 -15.358 0.942 1.00 0.00 N ATOM 616 CA PRO A 42 4.708 -15.028 1.142 1.00 0.00 C ATOM 617 C PRO A 42 4.403 -13.585 0.746 1.00 0.00 C ATOM 618 O PRO A 42 3.310 -13.268 0.282 1.00 0.00 O ATOM 619 CB PRO A 42 4.489 -15.230 2.654 1.00 0.00 C ATOM 620 CG PRO A 42 5.856 -15.208 3.249 1.00 0.00 C ATOM 621 CD PRO A 42 6.765 -15.782 2.204 1.00 0.00 C ATOM 0 HA PRO A 42 4.054 -15.647 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.864 -14.440 3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.986 -16.175 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.153 -14.192 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.893 -15.797 4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.780 -15.394 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.831 -16.867 2.278 1.00 0.00 H new ATOM 629 N CYS A 43 5.390 -12.739 0.909 1.00 0.00 N ATOM 630 CA CYS A 43 5.276 -11.332 0.604 1.00 0.00 C ATOM 631 C CYS A 43 5.168 -11.116 -0.912 1.00 0.00 C ATOM 632 O CYS A 43 4.420 -10.263 -1.375 1.00 0.00 O ATOM 633 CB CYS A 43 6.500 -10.613 1.126 1.00 0.00 C ATOM 634 SG CYS A 43 6.873 -10.910 2.888 1.00 0.00 S ATOM 0 H CYS A 43 6.308 -13.011 1.262 1.00 0.00 H new ATOM 0 HA CYS A 43 4.377 -10.938 1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.362 -10.915 0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.367 -9.542 0.973 1.00 0.00 H new ATOM 639 N ARG A 44 5.922 -11.881 -1.679 1.00 0.00 N ATOM 640 CA ARG A 44 5.861 -11.768 -3.120 1.00 0.00 C ATOM 641 C ARG A 44 4.627 -12.494 -3.639 1.00 0.00 C ATOM 642 O ARG A 44 4.059 -12.119 -4.653 1.00 0.00 O ATOM 643 CB ARG A 44 7.138 -12.299 -3.788 1.00 0.00 C ATOM 644 CG ARG A 44 7.181 -12.050 -5.289 1.00 0.00 C ATOM 645 CD ARG A 44 8.456 -12.569 -5.921 1.00 0.00 C ATOM 646 NE ARG A 44 8.512 -12.243 -7.350 1.00 0.00 N ATOM 647 CZ ARG A 44 9.445 -12.667 -8.208 1.00 0.00 C ATOM 648 NH1 ARG A 44 10.397 -13.510 -7.810 1.00 0.00 N ATOM 649 NH2 ARG A 44 9.412 -12.251 -9.465 1.00 0.00 N ATOM 0 H ARG A 44 6.577 -12.581 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 44 5.787 -10.712 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.005 -11.829 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.219 -13.370 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.323 -12.530 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.092 -10.981 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.318 -12.137 -5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.516 -13.649 -5.789 1.00 0.00 H new ATOM 0 HE ARG A 44 7.776 -11.641 -7.721 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.418 -13.837 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.105 -13.829 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.678 -11.612 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.120 -12.570 -10.126 1.00 0.00 H new ATOM 663 N PHE A 45 4.214 -13.527 -2.917 1.00 0.00 N ATOM 664 CA PHE A 45 3.023 -14.302 -3.256 1.00 0.00 C ATOM 665 C PHE A 45 1.752 -13.469 -3.059 1.00 0.00 C ATOM 666 O PHE A 45 0.760 -13.654 -3.759 1.00 0.00 O ATOM 667 CB PHE A 45 2.957 -15.579 -2.392 1.00 0.00 C ATOM 668 CG PHE A 45 1.751 -16.456 -2.650 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.763 -17.385 -3.677 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.601 -16.348 -1.862 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.665 -18.188 -3.919 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.497 -17.150 -2.103 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.464 -18.071 -3.132 1.00 0.00 C ATOM 0 H PHE A 45 4.694 -13.853 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 45 3.088 -14.584 -4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.859 -16.165 -2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.961 -15.291 -1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.642 -17.483 -4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.571 -15.630 -1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.690 -18.908 -4.724 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.380 -17.057 -1.488 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.321 -18.700 -3.321 1.00 0.00 H new ATOM 683 N ILE A 46 1.787 -12.553 -2.116 1.00 0.00 N ATOM 684 CA ILE A 46 0.623 -11.737 -1.829 1.00 0.00 C ATOM 685 C ILE A 46 0.622 -10.482 -2.740 1.00 0.00 C ATOM 686 O ILE A 46 -0.400 -9.809 -2.906 1.00 0.00 O ATOM 687 CB ILE A 46 0.577 -11.335 -0.308 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.777 -10.744 0.080 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.692 -10.371 0.054 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.906 -11.730 -0.014 1.00 0.00 C ATOM 0 H ILE A 46 2.603 -12.354 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.274 -12.320 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 46 0.724 -12.254 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.720 -10.364 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.993 -9.893 -0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.625 -10.118 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.656 -10.838 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.597 -9.464 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.838 -11.245 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.988 -12.092 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.712 -12.570 0.653 1.00 0.00 H new ATOM 702 N ALA A 47 1.773 -10.215 -3.360 1.00 0.00 N ATOM 703 CA ALA A 47 1.946 -9.059 -4.239 1.00 0.00 C ATOM 704 C ALA A 47 0.950 -9.034 -5.433 1.00 0.00 C ATOM 705 O ALA A 47 0.334 -8.000 -5.671 1.00 0.00 O ATOM 706 CB ALA A 47 3.392 -8.920 -4.707 1.00 0.00 C ATOM 0 H ALA A 47 2.609 -10.793 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 47 1.705 -8.185 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.482 -8.050 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.044 -8.795 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.685 -9.815 -5.255 1.00 0.00 H new ATOM 712 N PRO A 48 0.764 -10.163 -6.211 1.00 0.00 N ATOM 713 CA PRO A 48 -0.209 -10.198 -7.309 1.00 0.00 C ATOM 714 C PRO A 48 -1.626 -9.914 -6.817 1.00 0.00 C ATOM 715 O PRO A 48 -2.416 -9.299 -7.511 1.00 0.00 O ATOM 716 CB PRO A 48 -0.120 -11.633 -7.851 1.00 0.00 C ATOM 717 CG PRO A 48 0.580 -12.405 -6.793 1.00 0.00 C ATOM 718 CD PRO A 48 1.498 -11.438 -6.123 1.00 0.00 C ATOM 0 HA PRO A 48 0.008 -9.439 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.111 -12.042 -8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.430 -11.665 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.130 -12.826 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.136 -13.239 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.694 -11.719 -5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.463 -11.383 -6.627 1.00 0.00 H new ATOM 726 N PHE A 49 -1.923 -10.338 -5.602 1.00 0.00 N ATOM 727 CA PHE A 49 -3.239 -10.121 -5.027 1.00 0.00 C ATOM 728 C PHE A 49 -3.435 -8.629 -4.742 1.00 0.00 C ATOM 729 O PHE A 49 -4.529 -8.084 -4.902 1.00 0.00 O ATOM 730 CB PHE A 49 -3.415 -10.950 -3.745 1.00 0.00 C ATOM 731 CG PHE A 49 -4.800 -10.884 -3.165 1.00 0.00 C ATOM 732 CD1 PHE A 49 -5.782 -11.742 -3.615 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.120 -9.967 -2.178 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.055 -11.692 -3.098 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.396 -9.914 -1.656 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.362 -10.779 -2.120 1.00 0.00 C ATOM 0 H PHE A 49 -1.271 -10.834 -4.994 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.997 -10.447 -5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.170 -11.990 -3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.701 -10.602 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.548 -12.463 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.364 -9.287 -1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.813 -12.370 -3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.637 -9.196 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.362 -10.739 -1.714 1.00 0.00 H new ATOM 746 N PHE A 50 -2.361 -7.979 -4.341 1.00 0.00 N ATOM 747 CA PHE A 50 -2.377 -6.552 -4.086 1.00 0.00 C ATOM 748 C PHE A 50 -2.442 -5.795 -5.430 1.00 0.00 C ATOM 749 O PHE A 50 -3.044 -4.730 -5.534 1.00 0.00 O ATOM 750 CB PHE A 50 -1.149 -6.142 -3.255 1.00 0.00 C ATOM 751 CG PHE A 50 -1.167 -4.713 -2.783 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.831 -4.369 -1.618 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.523 -3.725 -3.493 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.850 -3.064 -1.173 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.539 -2.415 -3.055 1.00 0.00 C ATOM 756 CZ PHE A 50 -1.202 -2.086 -1.895 1.00 0.00 C ATOM 0 H PHE A 50 -1.456 -8.422 -4.183 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.260 -6.290 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.077 -6.798 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.251 -6.304 -3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.341 -5.133 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.001 -3.977 -4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.371 -2.810 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.031 -1.649 -3.623 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.214 -1.062 -1.551 1.00 0.00 H new ATOM 766 N ALA A 51 -1.816 -6.365 -6.450 1.00 0.00 N ATOM 767 CA ALA A 51 -1.881 -5.808 -7.801 1.00 0.00 C ATOM 768 C ALA A 51 -3.305 -5.949 -8.346 1.00 0.00 C ATOM 769 O ALA A 51 -3.805 -5.080 -9.053 1.00 0.00 O ATOM 770 CB ALA A 51 -0.880 -6.498 -8.716 1.00 0.00 C ATOM 0 H ALA A 51 -1.256 -7.214 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.621 -4.750 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.945 -6.069 -9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.128 -6.357 -8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.105 -7.564 -8.763 1.00 0.00 H new ATOM 776 N ASP A 52 -3.940 -7.058 -8.002 1.00 0.00 N ATOM 777 CA ASP A 52 -5.345 -7.312 -8.337 1.00 0.00 C ATOM 778 C ASP A 52 -6.211 -6.279 -7.686 1.00 0.00 C ATOM 779 O ASP A 52 -7.097 -5.718 -8.301 1.00 0.00 O ATOM 780 CB ASP A 52 -5.761 -8.673 -7.828 1.00 0.00 C ATOM 781 CG ASP A 52 -7.227 -8.963 -8.067 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.616 -9.272 -9.213 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.001 -8.910 -7.108 1.00 0.00 O ATOM 0 H ASP A 52 -3.499 -7.815 -7.480 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.458 -7.272 -9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.159 -9.439 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.552 -8.737 -6.760 1.00 0.00 H new ATOM 788 N LEU A 53 -5.940 -6.057 -6.426 1.00 0.00 N ATOM 789 CA LEU A 53 -6.592 -5.051 -5.616 1.00 0.00 C ATOM 790 C LEU A 53 -6.491 -3.684 -6.333 1.00 0.00 C ATOM 791 O LEU A 53 -7.481 -2.969 -6.470 1.00 0.00 O ATOM 792 CB LEU A 53 -5.844 -5.001 -4.282 1.00 0.00 C ATOM 793 CG LEU A 53 -6.598 -4.574 -3.043 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.657 -4.529 -1.846 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.343 -3.266 -3.205 1.00 0.00 C ATOM 0 H LEU A 53 -5.235 -6.588 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.645 -5.283 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.435 -5.994 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.997 -4.326 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.367 -5.327 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.211 -4.220 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.230 -5.518 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.856 -3.816 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.860 -3.024 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.636 -2.472 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.070 -3.359 -4.011 1.00 0.00 H new ATOM 807 N ALA A 54 -5.288 -3.365 -6.797 1.00 0.00 N ATOM 808 CA ALA A 54 -5.016 -2.141 -7.549 1.00 0.00 C ATOM 809 C ALA A 54 -5.838 -2.087 -8.834 1.00 0.00 C ATOM 810 O ALA A 54 -6.175 -1.017 -9.332 1.00 0.00 O ATOM 811 CB ALA A 54 -3.532 -2.025 -7.861 1.00 0.00 C ATOM 0 H ALA A 54 -4.465 -3.953 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.309 -1.295 -6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.349 -1.108 -8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.965 -2.001 -6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.217 -2.882 -8.456 1.00 0.00 H new ATOM 817 N LYS A 55 -6.112 -3.245 -9.396 1.00 0.00 N ATOM 818 CA LYS A 55 -6.904 -3.327 -10.596 1.00 0.00 C ATOM 819 C LYS A 55 -8.373 -3.157 -10.265 1.00 0.00 C ATOM 820 O LYS A 55 -9.107 -2.474 -10.979 1.00 0.00 O ATOM 821 CB LYS A 55 -6.701 -4.672 -11.304 1.00 0.00 C ATOM 822 CG LYS A 55 -7.426 -4.766 -12.630 1.00 0.00 C ATOM 823 CD LYS A 55 -7.355 -6.154 -13.219 1.00 0.00 C ATOM 824 CE LYS A 55 -8.034 -6.215 -14.586 1.00 0.00 C ATOM 825 NZ LYS A 55 -9.427 -5.701 -14.560 1.00 0.00 N ATOM 0 H LYS A 55 -5.794 -4.145 -9.036 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.580 -2.528 -11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.635 -4.831 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.046 -5.474 -10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.470 -4.484 -12.493 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.993 -4.053 -13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.312 -6.457 -13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.832 -6.863 -12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.451 -5.636 -15.302 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.039 -7.246 -14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.900 -5.935 -15.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.944 -6.139 -13.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.414 -4.669 -14.434 1.00 0.00 H new ATOM 839 N LYS A 56 -8.780 -3.763 -9.175 1.00 0.00 N ATOM 840 CA LYS A 56 -10.163 -3.772 -8.767 1.00 0.00 C ATOM 841 C LYS A 56 -10.575 -2.379 -8.299 1.00 0.00 C ATOM 842 O LYS A 56 -11.686 -1.913 -8.589 1.00 0.00 O ATOM 843 CB LYS A 56 -10.356 -4.817 -7.667 1.00 0.00 C ATOM 844 CG LYS A 56 -11.799 -5.117 -7.310 1.00 0.00 C ATOM 845 CD LYS A 56 -11.855 -6.198 -6.249 1.00 0.00 C ATOM 846 CE LYS A 56 -13.274 -6.632 -5.938 1.00 0.00 C ATOM 847 NZ LYS A 56 -14.100 -5.528 -5.402 1.00 0.00 N ATOM 0 H LYS A 56 -8.157 -4.266 -8.543 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.801 -4.039 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.875 -5.744 -7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.839 -4.477 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.288 -4.213 -6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.343 -5.439 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.279 -7.061 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.382 -5.833 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.738 -7.022 -6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.251 -7.448 -5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.039 -5.892 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.639 -5.127 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.203 -4.788 -6.126 1.00 0.00 H new ATOM 861 N LEU A 57 -9.682 -1.717 -7.586 1.00 0.00 N ATOM 862 CA LEU A 57 -9.881 -0.367 -7.155 1.00 0.00 C ATOM 863 C LEU A 57 -8.864 0.561 -7.834 1.00 0.00 C ATOM 864 O LEU A 57 -7.815 0.832 -7.289 1.00 0.00 O ATOM 865 CB LEU A 57 -9.777 -0.219 -5.621 1.00 0.00 C ATOM 866 CG LEU A 57 -10.886 -0.831 -4.731 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.925 -2.351 -4.798 1.00 0.00 C ATOM 868 CD2 LEU A 57 -10.727 -0.367 -3.291 1.00 0.00 C ATOM 0 H LEU A 57 -8.791 -2.117 -7.292 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.893 -0.084 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.828 -0.657 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.725 0.846 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.838 -0.474 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.722 -2.723 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.112 -2.665 -5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.969 -2.755 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.514 -0.806 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.755 -0.682 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.798 0.720 -3.249 1.00 0.00 H new ATOM 880 N PRO A 58 -9.160 1.043 -9.051 1.00 0.00 N ATOM 881 CA PRO A 58 -8.238 1.905 -9.798 1.00 0.00 C ATOM 882 C PRO A 58 -8.389 3.383 -9.412 1.00 0.00 C ATOM 883 O PRO A 58 -7.722 4.263 -9.969 1.00 0.00 O ATOM 884 CB PRO A 58 -8.680 1.684 -11.242 1.00 0.00 C ATOM 885 CG PRO A 58 -10.153 1.435 -11.147 1.00 0.00 C ATOM 886 CD PRO A 58 -10.398 0.778 -9.808 1.00 0.00 C ATOM 0 HA PRO A 58 -7.191 1.668 -9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.463 2.554 -11.861 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.162 0.836 -11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.709 2.369 -11.227 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.490 0.793 -11.961 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.270 1.201 -9.309 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.580 -0.291 -9.915 1.00 0.00 H new ATOM 894 N ASN A 59 -9.264 3.637 -8.459 1.00 0.00 N ATOM 895 CA ASN A 59 -9.557 4.988 -7.979 1.00 0.00 C ATOM 896 C ASN A 59 -8.886 5.181 -6.609 1.00 0.00 C ATOM 897 O ASN A 59 -9.196 6.095 -5.845 1.00 0.00 O ATOM 898 CB ASN A 59 -11.085 5.164 -7.875 1.00 0.00 C ATOM 899 CG ASN A 59 -11.529 6.582 -7.518 1.00 0.00 C ATOM 900 OD1 ASN A 59 -10.869 7.563 -7.861 1.00 0.00 O ATOM 901 ND2 ASN A 59 -12.645 6.695 -6.833 1.00 0.00 N ATOM 0 H ASN A 59 -9.801 2.910 -7.987 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.169 5.737 -8.669 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.538 4.882 -8.826 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.469 4.475 -7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.990 7.618 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.166 5.860 -6.566 1.00 0.00 H new ATOM 908 N VAL A 60 -7.957 4.308 -6.330 1.00 0.00 N ATOM 909 CA VAL A 60 -7.208 4.306 -5.103 1.00 0.00 C ATOM 910 C VAL A 60 -5.731 4.334 -5.434 1.00 0.00 C ATOM 911 O VAL A 60 -5.288 3.652 -6.352 1.00 0.00 O ATOM 912 CB VAL A 60 -7.539 3.073 -4.214 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.677 3.060 -2.961 1.00 0.00 C ATOM 914 CG2 VAL A 60 -9.012 3.066 -3.831 1.00 0.00 C ATOM 0 H VAL A 60 -7.693 3.557 -6.968 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.485 5.191 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.322 2.176 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.927 2.188 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.625 3.016 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.860 3.967 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.222 2.196 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.248 3.974 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.622 3.024 -4.733 1.00 0.00 H new ATOM 924 N LEU A 61 -4.989 5.143 -4.731 1.00 0.00 N ATOM 925 CA LEU A 61 -3.583 5.268 -4.981 1.00 0.00 C ATOM 926 C LEU A 61 -2.832 4.225 -4.160 1.00 0.00 C ATOM 927 O LEU A 61 -2.876 4.241 -2.931 1.00 0.00 O ATOM 928 CB LEU A 61 -3.129 6.686 -4.596 1.00 0.00 C ATOM 929 CG LEU A 61 -1.654 7.021 -4.810 1.00 0.00 C ATOM 930 CD1 LEU A 61 -1.279 6.934 -6.281 1.00 0.00 C ATOM 931 CD2 LEU A 61 -1.333 8.397 -4.247 1.00 0.00 C ATOM 0 H LEU A 61 -5.340 5.730 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.371 5.102 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.725 7.399 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.363 6.843 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.058 6.283 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.224 7.178 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.462 5.923 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.882 7.639 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.278 8.619 -4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.943 9.147 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.548 8.412 -3.178 1.00 0.00 H new ATOM 943 N PHE A 62 -2.181 3.307 -4.840 1.00 0.00 N ATOM 944 CA PHE A 62 -1.431 2.261 -4.172 1.00 0.00 C ATOM 945 C PHE A 62 0.041 2.439 -4.411 1.00 0.00 C ATOM 946 O PHE A 62 0.477 2.755 -5.537 1.00 0.00 O ATOM 947 CB PHE A 62 -1.818 0.874 -4.664 1.00 0.00 C ATOM 948 CG PHE A 62 -3.260 0.507 -4.499 1.00 0.00 C ATOM 949 CD1 PHE A 62 -3.696 -0.115 -3.347 1.00 0.00 C ATOM 950 CD2 PHE A 62 -4.171 0.772 -5.495 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.016 -0.465 -3.194 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.492 0.425 -5.349 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.918 -0.194 -4.197 1.00 0.00 C ATOM 0 H PHE A 62 -2.155 3.262 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.666 2.342 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.561 0.798 -5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.212 0.138 -4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.992 -0.329 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.844 1.258 -6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.345 -0.952 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.197 0.638 -6.139 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.957 -0.466 -4.080 1.00 0.00 H new ATOM 963 N LEU A 63 0.800 2.227 -3.385 1.00 0.00 N ATOM 964 CA LEU A 63 2.227 2.310 -3.440 1.00 0.00 C ATOM 965 C LEU A 63 2.850 1.104 -2.794 1.00 0.00 C ATOM 966 O LEU A 63 2.297 0.533 -1.867 1.00 0.00 O ATOM 967 CB LEU A 63 2.798 3.583 -2.805 1.00 0.00 C ATOM 968 CG LEU A 63 2.535 4.928 -3.504 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.098 5.384 -3.364 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.486 5.985 -2.995 1.00 0.00 C ATOM 0 H LEU A 63 0.438 1.985 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 63 2.480 2.346 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.406 3.653 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.877 3.457 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 63 2.714 4.775 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.967 6.338 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.436 4.641 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.855 5.502 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.285 6.929 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.348 6.112 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.512 5.678 -3.195 1.00 0.00 H new ATOM 982 N LYS A 64 3.985 0.725 -3.299 1.00 0.00 N ATOM 983 CA LYS A 64 4.715 -0.398 -2.809 1.00 0.00 C ATOM 984 C LYS A 64 6.057 0.029 -2.293 1.00 0.00 C ATOM 985 O LYS A 64 6.807 0.742 -2.983 1.00 0.00 O ATOM 986 CB LYS A 64 4.871 -1.426 -3.901 1.00 0.00 C ATOM 987 CG LYS A 64 5.722 -2.602 -3.493 1.00 0.00 C ATOM 988 CD LYS A 64 5.555 -3.745 -4.439 1.00 0.00 C ATOM 989 CE LYS A 64 4.339 -4.620 -4.096 1.00 0.00 C ATOM 990 NZ LYS A 64 3.035 -3.906 -4.118 1.00 0.00 N ATOM 0 H LYS A 64 4.437 1.200 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 64 4.160 -0.843 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.885 -1.785 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.314 -0.952 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.770 -2.303 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.451 -2.918 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.447 -3.360 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.456 -4.359 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.295 -5.450 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.486 -5.050 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.262 -4.591 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.008 -3.209 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.922 -3.418 -5.030 1.00 0.00 H new ATOM 1004 N VAL A 65 6.353 -0.367 -1.085 1.00 0.00 N ATOM 1005 CA VAL A 65 7.615 -0.066 -0.468 1.00 0.00 C ATOM 1006 C VAL A 65 8.365 -1.350 -0.200 1.00 0.00 C ATOM 1007 O VAL A 65 7.893 -2.209 0.554 1.00 0.00 O ATOM 1008 CB VAL A 65 7.434 0.721 0.865 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.773 0.954 1.561 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.753 2.050 0.606 1.00 0.00 C ATOM 0 H VAL A 65 5.721 -0.911 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 65 8.181 0.564 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 65 6.808 0.117 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.611 1.505 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.238 -0.006 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.428 1.529 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.634 2.587 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.361 2.644 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.773 1.876 0.161 1.00 0.00 H new ATOM 1020 N ASP A 66 9.509 -1.491 -0.824 1.00 0.00 N ATOM 1021 CA ASP A 66 10.340 -2.645 -0.594 1.00 0.00 C ATOM 1022 C ASP A 66 11.190 -2.344 0.621 1.00 0.00 C ATOM 1023 O ASP A 66 12.029 -1.452 0.588 1.00 0.00 O ATOM 1024 CB ASP A 66 11.208 -2.950 -1.807 1.00 0.00 C ATOM 1025 CG ASP A 66 11.967 -4.271 -1.693 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.997 -4.328 -1.009 1.00 0.00 O ATOM 1027 OD2 ASP A 66 11.547 -5.278 -2.328 1.00 0.00 O ATOM 0 H ASP A 66 9.885 -0.821 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 66 9.726 -3.530 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.579 -2.976 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.923 -2.139 -1.946 1.00 0.00 H new ATOM 1032 N THR A 67 10.945 -3.056 1.688 1.00 0.00 N ATOM 1033 CA THR A 67 11.570 -2.803 2.972 1.00 0.00 C ATOM 1034 C THR A 67 13.049 -3.177 3.009 1.00 0.00 C ATOM 1035 O THR A 67 13.767 -2.831 3.961 1.00 0.00 O ATOM 1036 CB THR A 67 10.801 -3.515 4.097 1.00 0.00 C ATOM 1037 OG1 THR A 67 10.683 -4.908 3.779 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.407 -2.923 4.257 1.00 0.00 C ATOM 0 H THR A 67 10.296 -3.843 1.697 1.00 0.00 H new ATOM 0 HA THR A 67 11.524 -1.726 3.130 1.00 0.00 H new ATOM 0 HB THR A 67 11.348 -3.383 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.707 -5.435 4.605 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.881 -3.442 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.487 -1.864 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.853 -3.039 3.325 1.00 0.00 H new ATOM 1046 N ASP A 68 13.505 -3.883 1.995 1.00 0.00 N ATOM 1047 CA ASP A 68 14.905 -4.218 1.898 1.00 0.00 C ATOM 1048 C ASP A 68 15.623 -3.020 1.356 1.00 0.00 C ATOM 1049 O ASP A 68 16.682 -2.627 1.850 1.00 0.00 O ATOM 1050 CB ASP A 68 15.116 -5.406 0.981 1.00 0.00 C ATOM 1051 CG ASP A 68 16.563 -5.833 0.885 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.013 -6.609 1.742 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.253 -5.419 -0.060 1.00 0.00 O ATOM 0 H ASP A 68 12.927 -4.233 1.231 1.00 0.00 H new ATOM 0 HA ASP A 68 15.290 -4.489 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.519 -6.245 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.750 -5.158 -0.015 1.00 0.00 H new ATOM 1058 N GLU A 69 15.027 -2.440 0.337 1.00 0.00 N ATOM 1059 CA GLU A 69 15.499 -1.243 -0.268 1.00 0.00 C ATOM 1060 C GLU A 69 15.324 -0.048 0.654 1.00 0.00 C ATOM 1061 O GLU A 69 16.296 0.617 1.020 1.00 0.00 O ATOM 1062 CB GLU A 69 14.746 -1.001 -1.552 1.00 0.00 C ATOM 1063 CG GLU A 69 15.064 -1.975 -2.658 1.00 0.00 C ATOM 1064 CD GLU A 69 14.305 -1.686 -3.920 1.00 0.00 C ATOM 1065 OE1 GLU A 69 14.526 -0.625 -4.516 1.00 0.00 O ATOM 1066 OE2 GLU A 69 13.502 -2.540 -4.364 1.00 0.00 O ATOM 0 H GLU A 69 14.180 -2.808 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 69 16.563 -1.361 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.677 -1.043 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.963 0.009 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.133 -1.945 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.833 -2.986 -2.323 1.00 0.00 H new ATOM 1073 N LEU A 70 14.099 0.219 1.028 1.00 0.00 N ATOM 1074 CA LEU A 70 13.783 1.323 1.833 1.00 0.00 C ATOM 1075 C LEU A 70 13.644 0.936 3.296 1.00 0.00 C ATOM 1076 O LEU A 70 12.532 0.761 3.813 1.00 0.00 O ATOM 1077 CB LEU A 70 12.525 1.985 1.317 1.00 0.00 C ATOM 1078 CG LEU A 70 12.605 2.612 -0.079 1.00 0.00 C ATOM 1079 CD1 LEU A 70 11.270 3.216 -0.474 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.696 3.666 -0.130 1.00 0.00 C ATOM 0 H LEU A 70 13.293 -0.348 0.766 1.00 0.00 H new ATOM 0 HA LEU A 70 14.606 2.035 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.726 1.243 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.234 2.762 2.024 1.00 0.00 H new ATOM 0 HG LEU A 70 12.851 1.824 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.349 3.656 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.507 2.438 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.994 3.989 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.737 4.099 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.480 4.449 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.656 3.207 0.106 1.00 0.00 H new ATOM 1092 N LYS A 71 14.770 0.741 3.940 1.00 0.00 N ATOM 1093 CA LYS A 71 14.788 0.383 5.340 1.00 0.00 C ATOM 1094 C LYS A 71 14.344 1.550 6.210 1.00 0.00 C ATOM 1095 O LYS A 71 13.577 1.363 7.172 1.00 0.00 O ATOM 1096 CB LYS A 71 16.161 -0.133 5.784 1.00 0.00 C ATOM 1097 CG LYS A 71 16.633 -1.380 5.048 1.00 0.00 C ATOM 1098 CD LYS A 71 17.927 -1.909 5.642 1.00 0.00 C ATOM 1099 CE LYS A 71 18.432 -3.148 4.911 1.00 0.00 C ATOM 1100 NZ LYS A 71 18.817 -2.861 3.511 1.00 0.00 N ATOM 0 H LYS A 71 15.693 0.825 3.514 1.00 0.00 H new ATOM 0 HA LYS A 71 14.076 -0.432 5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.897 0.659 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.127 -0.347 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.864 -2.150 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.781 -1.149 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.688 -1.130 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.771 -2.148 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.290 -3.556 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.656 -3.914 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.674 -3.399 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.043 -3.138 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.005 -1.844 3.404 1.00 0.00 H new ATOM 1114 N SER A 72 14.800 2.752 5.855 1.00 0.00 N ATOM 1115 CA SER A 72 14.510 3.949 6.620 1.00 0.00 C ATOM 1116 C SER A 72 13.011 4.233 6.614 1.00 0.00 C ATOM 1117 O SER A 72 12.423 4.502 7.665 1.00 0.00 O ATOM 1118 CB SER A 72 15.260 5.133 6.034 1.00 0.00 C ATOM 1119 OG SER A 72 16.631 4.810 5.815 1.00 0.00 O ATOM 0 H SER A 72 15.378 2.915 5.031 1.00 0.00 H new ATOM 0 HA SER A 72 14.834 3.792 7.649 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.798 5.431 5.093 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.187 5.985 6.710 1.00 0.00 H new ATOM 0 HG SER A 72 17.093 5.586 5.436 1.00 0.00 H new ATOM 1125 N VAL A 73 12.396 4.117 5.440 1.00 0.00 N ATOM 1126 CA VAL A 73 10.958 4.339 5.293 1.00 0.00 C ATOM 1127 C VAL A 73 10.179 3.359 6.166 1.00 0.00 C ATOM 1128 O VAL A 73 9.240 3.739 6.869 1.00 0.00 O ATOM 1129 CB VAL A 73 10.505 4.208 3.809 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.000 4.384 3.677 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.228 5.229 2.946 1.00 0.00 C ATOM 0 H VAL A 73 12.872 3.870 4.573 1.00 0.00 H new ATOM 0 HA VAL A 73 10.747 5.358 5.618 1.00 0.00 H new ATOM 0 HB VAL A 73 10.761 3.206 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.713 4.287 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.491 3.620 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.716 5.371 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.902 5.127 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.998 6.234 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.303 5.060 3.006 1.00 0.00 H new ATOM 1141 N ALA A 74 10.604 2.106 6.151 1.00 0.00 N ATOM 1142 CA ALA A 74 9.969 1.078 6.948 1.00 0.00 C ATOM 1143 C ALA A 74 10.081 1.399 8.438 1.00 0.00 C ATOM 1144 O ALA A 74 9.104 1.295 9.180 1.00 0.00 O ATOM 1145 CB ALA A 74 10.580 -0.275 6.646 1.00 0.00 C ATOM 0 H ALA A 74 11.391 1.779 5.591 1.00 0.00 H new ATOM 0 HA ALA A 74 8.911 1.047 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.092 -1.038 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.443 -0.509 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.645 -0.253 6.877 1.00 0.00 H new ATOM 1151 N SER A 75 11.265 1.822 8.861 1.00 0.00 N ATOM 1152 CA SER A 75 11.496 2.156 10.250 1.00 0.00 C ATOM 1153 C SER A 75 10.735 3.417 10.677 1.00 0.00 C ATOM 1154 O SER A 75 10.346 3.552 11.840 1.00 0.00 O ATOM 1155 CB SER A 75 13.002 2.244 10.563 1.00 0.00 C ATOM 1156 OG SER A 75 13.679 3.164 9.704 1.00 0.00 O ATOM 0 H SER A 75 12.078 1.940 8.257 1.00 0.00 H new ATOM 0 HA SER A 75 11.092 1.341 10.851 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.139 2.550 11.600 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.451 1.256 10.461 1.00 0.00 H new ATOM 0 HG SER A 75 13.040 3.549 9.069 1.00 0.00 H new ATOM 1162 N ASP A 76 10.513 4.329 9.734 1.00 0.00 N ATOM 1163 CA ASP A 76 9.814 5.586 10.022 1.00 0.00 C ATOM 1164 C ASP A 76 8.379 5.307 10.458 1.00 0.00 C ATOM 1165 O ASP A 76 7.855 5.956 11.369 1.00 0.00 O ATOM 1166 CB ASP A 76 9.818 6.500 8.788 1.00 0.00 C ATOM 1167 CG ASP A 76 9.199 7.863 9.052 1.00 0.00 C ATOM 1168 OD1 ASP A 76 9.943 8.796 9.437 1.00 0.00 O ATOM 1169 OD2 ASP A 76 7.975 8.034 8.856 1.00 0.00 O ATOM 0 H ASP A 76 10.806 4.224 8.763 1.00 0.00 H new ATOM 0 HA ASP A 76 10.338 6.091 10.833 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.844 6.634 8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.274 6.011 7.980 1.00 0.00 H new ATOM 1174 N TRP A 77 7.768 4.310 9.845 1.00 0.00 N ATOM 1175 CA TRP A 77 6.412 3.923 10.183 1.00 0.00 C ATOM 1176 C TRP A 77 6.394 2.780 11.186 1.00 0.00 C ATOM 1177 O TRP A 77 5.337 2.230 11.488 1.00 0.00 O ATOM 1178 CB TRP A 77 5.625 3.549 8.941 1.00 0.00 C ATOM 1179 CG TRP A 77 5.484 4.667 7.968 1.00 0.00 C ATOM 1180 CD1 TRP A 77 6.225 4.865 6.851 1.00 0.00 C ATOM 1181 CD2 TRP A 77 4.553 5.754 8.030 1.00 0.00 C ATOM 1182 NE1 TRP A 77 5.813 5.996 6.212 1.00 0.00 N ATOM 1183 CE2 TRP A 77 4.791 6.562 6.909 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.540 6.120 8.920 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.059 7.715 6.650 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.813 7.269 8.660 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.076 8.050 7.533 1.00 0.00 C ATOM 0 H TRP A 77 8.193 3.751 9.106 1.00 0.00 H new ATOM 0 HA TRP A 77 5.934 4.786 10.646 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.116 2.709 8.449 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.633 3.209 9.238 1.00 0.00 H new ATOM 0 HD1 TRP A 77 7.025 4.221 6.516 1.00 0.00 H new ATOM 0 HE1 TRP A 77 6.209 6.361 5.346 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.329 5.519 9.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.262 8.323 5.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.029 7.566 9.341 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.488 8.939 7.357 1.00 0.00 H new ATOM 1198 N ALA A 78 7.587 2.434 11.694 1.00 0.00 N ATOM 1199 CA ALA A 78 7.775 1.380 12.703 1.00 0.00 C ATOM 1200 C ALA A 78 7.372 0.005 12.173 1.00 0.00 C ATOM 1201 O ALA A 78 7.095 -0.908 12.943 1.00 0.00 O ATOM 1202 CB ALA A 78 7.010 1.718 13.986 1.00 0.00 C ATOM 0 H ALA A 78 8.458 2.883 11.412 1.00 0.00 H new ATOM 0 HA ALA A 78 8.839 1.336 12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.162 0.926 14.720 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.376 2.662 14.390 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.947 1.807 13.763 1.00 0.00 H new ATOM 1208 N ILE A 79 7.395 -0.152 10.864 1.00 0.00 N ATOM 1209 CA ILE A 79 7.025 -1.405 10.233 1.00 0.00 C ATOM 1210 C ILE A 79 8.133 -2.424 10.459 1.00 0.00 C ATOM 1211 O ILE A 79 9.191 -2.374 9.813 1.00 0.00 O ATOM 1212 CB ILE A 79 6.763 -1.227 8.709 1.00 0.00 C ATOM 1213 CG1 ILE A 79 5.650 -0.188 8.466 1.00 0.00 C ATOM 1214 CG2 ILE A 79 6.410 -2.559 8.047 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.306 -0.545 9.079 1.00 0.00 C ATOM 0 H ILE A 79 7.669 0.581 10.210 1.00 0.00 H new ATOM 0 HA ILE A 79 6.097 -1.757 10.684 1.00 0.00 H new ATOM 0 HB ILE A 79 7.683 -0.861 8.253 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.974 0.772 8.867 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.521 -0.058 7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.233 -2.401 6.983 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.235 -3.260 8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.511 -2.967 8.508 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.585 0.242 8.858 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.954 -1.488 8.661 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.414 -0.645 10.159 1.00 0.00 H new ATOM 1227 N GLN A 80 7.919 -3.290 11.409 1.00 0.00 N ATOM 1228 CA GLN A 80 8.886 -4.286 11.769 1.00 0.00 C ATOM 1229 C GLN A 80 8.542 -5.595 11.106 1.00 0.00 C ATOM 1230 O GLN A 80 9.419 -6.336 10.660 1.00 0.00 O ATOM 1231 CB GLN A 80 8.896 -4.472 13.282 1.00 0.00 C ATOM 1232 CG GLN A 80 9.171 -3.205 14.064 1.00 0.00 C ATOM 1233 CD GLN A 80 9.208 -3.450 15.553 1.00 0.00 C ATOM 1234 OE1 GLN A 80 8.191 -3.373 16.236 1.00 0.00 O ATOM 1235 NE2 GLN A 80 10.366 -3.747 16.060 1.00 0.00 N ATOM 0 H GLN A 80 7.061 -3.324 11.959 1.00 0.00 H new ATOM 0 HA GLN A 80 9.872 -3.960 11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.932 -4.875 13.593 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.650 -5.215 13.540 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.123 -2.782 13.743 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.402 -2.467 13.838 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.188 -3.801 15.458 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.454 -3.926 17.060 1.00 0.00 H new ATOM 1244 N ALA A 81 7.268 -5.875 11.040 1.00 0.00 N ATOM 1245 CA ALA A 81 6.803 -7.101 10.468 1.00 0.00 C ATOM 1246 C ALA A 81 6.585 -6.951 8.981 1.00 0.00 C ATOM 1247 O ALA A 81 6.256 -5.865 8.487 1.00 0.00 O ATOM 1248 CB ALA A 81 5.540 -7.550 11.149 1.00 0.00 C ATOM 0 H ALA A 81 6.529 -5.260 11.381 1.00 0.00 H new ATOM 0 HA ALA A 81 7.567 -7.863 10.621 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.198 -8.484 10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.734 -7.704 12.210 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.771 -6.787 11.028 1.00 0.00 H new ATOM 1254 N MET A 82 6.786 -8.021 8.274 1.00 0.00 N ATOM 1255 CA MET A 82 6.639 -8.051 6.850 1.00 0.00 C ATOM 1256 C MET A 82 5.826 -9.273 6.446 1.00 0.00 C ATOM 1257 O MET A 82 6.030 -10.357 6.994 1.00 0.00 O ATOM 1258 CB MET A 82 8.003 -8.157 6.214 1.00 0.00 C ATOM 1259 CG MET A 82 8.919 -6.964 6.434 1.00 0.00 C ATOM 1260 SD MET A 82 10.627 -7.328 5.983 1.00 0.00 S ATOM 1261 CE MET A 82 10.394 -8.047 4.368 1.00 0.00 C ATOM 0 H MET A 82 7.062 -8.916 8.678 1.00 0.00 H new ATOM 0 HA MET A 82 6.135 -7.142 6.522 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.497 -9.049 6.600 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.875 -8.302 5.141 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.561 -6.119 5.845 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.877 -6.663 7.481 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.364 -8.213 3.900 1.00 0.00 H new ATOM 0 HE2 MET A 82 9.871 -8.998 4.465 1.00 0.00 H new ATOM 0 HE3 MET A 82 9.804 -7.370 3.750 1.00 0.00 H new ATOM 1271 N PRO A 83 4.896 -9.129 5.511 1.00 0.00 N ATOM 1272 CA PRO A 83 4.573 -7.855 4.907 1.00 0.00 C ATOM 1273 C PRO A 83 3.472 -7.138 5.704 1.00 0.00 C ATOM 1274 O PRO A 83 2.687 -7.774 6.398 1.00 0.00 O ATOM 1275 CB PRO A 83 4.055 -8.259 3.529 1.00 0.00 C ATOM 1276 CG PRO A 83 3.410 -9.591 3.743 1.00 0.00 C ATOM 1277 CD PRO A 83 4.088 -10.221 4.945 1.00 0.00 C ATOM 0 HA PRO A 83 5.417 -7.166 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.341 -7.530 3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.866 -8.324 2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.340 -9.478 3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.524 -10.221 2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.359 -10.593 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.709 -11.068 4.654 1.00 0.00 H new ATOM 1285 N THR A 84 3.432 -5.853 5.619 1.00 0.00 N ATOM 1286 CA THR A 84 2.425 -5.099 6.302 1.00 0.00 C ATOM 1287 C THR A 84 1.721 -4.190 5.316 1.00 0.00 C ATOM 1288 O THR A 84 2.371 -3.451 4.577 1.00 0.00 O ATOM 1289 CB THR A 84 3.017 -4.289 7.459 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.637 -5.178 8.413 1.00 0.00 O ATOM 1291 CG2 THR A 84 1.958 -3.445 8.164 1.00 0.00 C ATOM 0 H THR A 84 4.091 -5.293 5.078 1.00 0.00 H new ATOM 0 HA THR A 84 1.704 -5.794 6.732 1.00 0.00 H new ATOM 0 HB THR A 84 3.761 -3.612 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.593 -5.256 8.214 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.420 -2.887 8.978 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.515 -2.749 7.452 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.182 -4.096 8.566 1.00 0.00 H new ATOM 1299 N PHE A 85 0.417 -4.249 5.295 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.363 -3.480 4.392 1.00 0.00 C ATOM 1301 C PHE A 85 -0.975 -2.341 5.144 1.00 0.00 C ATOM 1302 O PHE A 85 -1.704 -2.549 6.101 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.465 -4.352 3.823 1.00 0.00 C ATOM 1304 CG PHE A 85 -0.973 -5.546 3.069 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.700 -5.456 1.722 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.775 -6.758 3.713 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.245 -6.549 1.022 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.319 -7.853 3.019 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.052 -7.745 1.672 1.00 0.00 C ATOM 0 H PHE A 85 -0.131 -4.843 5.917 1.00 0.00 H new ATOM 0 HA PHE A 85 0.260 -3.103 3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.104 -4.689 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.086 -3.748 3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.845 -4.516 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.981 -6.842 4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.040 -6.468 -0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.171 -8.794 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.310 -8.603 1.125 1.00 0.00 H new ATOM 1319 N MET A 86 -0.689 -1.159 4.725 1.00 0.00 N ATOM 1320 CA MET A 86 -1.153 0.008 5.406 1.00 0.00 C ATOM 1321 C MET A 86 -2.201 0.707 4.568 1.00 0.00 C ATOM 1322 O MET A 86 -1.958 1.086 3.425 1.00 0.00 O ATOM 1323 CB MET A 86 0.035 0.910 5.673 1.00 0.00 C ATOM 1324 CG MET A 86 -0.245 2.169 6.454 1.00 0.00 C ATOM 1325 SD MET A 86 1.256 3.139 6.671 1.00 0.00 S ATOM 1326 CE MET A 86 0.631 4.511 7.595 1.00 0.00 C ATOM 0 H MET A 86 -0.124 -0.968 3.897 1.00 0.00 H new ATOM 0 HA MET A 86 -1.616 -0.259 6.356 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.788 0.334 6.211 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.473 1.192 4.715 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.995 2.765 5.934 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.661 1.912 7.428 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.000 5.440 7.161 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.459 4.504 7.565 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.966 4.436 8.630 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.350 0.860 5.144 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.479 1.452 4.526 1.00 0.00 C ATOM 1338 C PHE A 87 -4.746 2.800 5.128 1.00 0.00 C ATOM 1339 O PHE A 87 -5.043 2.919 6.336 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.687 0.567 4.760 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.689 -0.737 4.017 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -4.962 -1.823 4.478 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.424 -0.875 2.851 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -4.969 -3.017 3.789 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.435 -2.068 2.158 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.707 -3.140 2.626 1.00 0.00 C ATOM 0 H PHE A 87 -3.529 0.560 6.102 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.287 1.563 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.760 0.357 5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.582 1.124 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.384 -1.733 5.386 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.996 -0.038 2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.398 -3.856 4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.013 -2.161 1.251 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.713 -4.075 2.085 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.658 3.808 4.331 1.00 0.00 N ATOM 1357 CA LEU A 88 -4.916 5.120 4.799 1.00 0.00 C ATOM 1358 C LEU A 88 -6.086 5.673 4.010 1.00 0.00 C ATOM 1359 O LEU A 88 -6.432 5.153 2.964 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.702 6.081 4.601 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.315 5.678 5.155 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.678 4.571 4.331 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.395 6.885 5.217 1.00 0.00 C ATOM 0 H LEU A 88 -4.407 3.745 3.344 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.121 5.061 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.590 6.250 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.967 7.039 5.048 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.466 5.294 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.706 4.317 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.321 3.691 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.550 4.910 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.424 6.583 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.269 7.299 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.830 7.641 5.870 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.685 6.698 4.506 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.718 7.376 3.790 1.00 0.00 C ATOM 1377 C LYS A 89 -7.446 8.840 3.884 1.00 0.00 C ATOM 1378 O LYS A 89 -7.306 9.379 4.989 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.091 7.051 4.341 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.240 7.664 3.555 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.575 7.353 4.192 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.734 7.930 3.388 1.00 0.00 C ATOM 1383 NZ LYS A 89 -12.837 7.328 2.042 1.00 0.00 N ATOM 0 H LYS A 89 -6.475 7.094 5.422 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.717 7.049 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.216 5.968 4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.147 7.396 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.107 8.744 3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.226 7.285 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.694 6.273 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.598 7.757 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.666 7.766 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.606 9.008 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.745 7.595 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.057 7.673 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.781 6.292 2.120 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.316 9.470 2.727 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.019 10.900 2.600 1.00 0.00 C ATOM 1399 C GLU A 90 -5.608 11.201 3.145 1.00 0.00 C ATOM 1400 O GLU A 90 -5.257 12.357 3.426 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.061 11.747 3.330 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.493 11.509 2.889 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.490 12.264 3.729 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -10.614 11.961 4.929 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.189 13.142 3.196 1.00 0.00 O ATOM 0 H GLU A 90 -7.415 8.998 1.828 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.054 11.161 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.987 11.548 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.820 12.800 3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.603 11.807 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.713 10.443 2.941 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.803 10.155 3.253 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.474 10.266 3.803 1.00 0.00 C ATOM 1414 C GLY A 91 -3.435 9.996 5.304 1.00 0.00 C ATOM 1415 O GLY A 91 -2.366 9.976 5.897 1.00 0.00 O ATOM 0 H GLY A 91 -5.058 9.211 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.814 9.563 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.086 11.266 3.607 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.595 9.769 5.907 1.00 0.00 N ATOM 1420 CA LYS A 92 -4.684 9.488 7.346 1.00 0.00 C ATOM 1421 C LYS A 92 -4.777 7.997 7.572 1.00 0.00 C ATOM 1422 O LYS A 92 -5.531 7.312 6.885 1.00 0.00 O ATOM 1423 CB LYS A 92 -5.894 10.199 8.025 1.00 0.00 C ATOM 1424 CG LYS A 92 -5.839 11.735 8.057 1.00 0.00 C ATOM 1425 CD LYS A 92 -5.926 12.348 6.672 1.00 0.00 C ATOM 1426 CE LYS A 92 -5.757 13.845 6.713 1.00 0.00 C ATOM 1427 NZ LYS A 92 -5.842 14.434 5.361 1.00 0.00 N ATOM 0 H LYS A 92 -5.494 9.773 5.425 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.778 9.884 7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.805 9.898 7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.975 9.836 9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.658 12.112 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.912 12.052 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.158 11.913 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.890 12.103 6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.525 14.282 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.794 14.092 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.155 15.210 5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.629 13.705 4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.802 14.802 5.202 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.023 7.507 8.530 1.00 0.00 N ATOM 1442 CA ILE A 93 -3.945 6.079 8.838 1.00 0.00 C ATOM 1443 C ILE A 93 -5.290 5.565 9.336 1.00 0.00 C ATOM 1444 O ILE A 93 -5.859 6.128 10.264 1.00 0.00 O ATOM 1445 CB ILE A 93 -2.901 5.822 9.960 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.535 6.396 9.575 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -2.789 4.322 10.261 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.480 6.254 10.658 1.00 0.00 C ATOM 0 H ILE A 93 -3.436 8.087 9.129 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.656 5.562 7.923 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.242 6.330 10.862 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.184 5.897 8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.651 7.452 9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.053 4.163 11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.758 3.943 10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.477 3.793 9.361 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.459 6.684 10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.808 6.777 11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.333 5.198 10.887 1.00 0.00 H new ATOM 1460 N LEU A 94 -5.800 4.526 8.719 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.012 3.911 9.178 1.00 0.00 C ATOM 1462 C LEU A 94 -6.781 2.491 9.604 1.00 0.00 C ATOM 1463 O LEU A 94 -7.047 2.120 10.751 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.109 3.950 8.125 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.760 5.298 7.832 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.934 5.103 6.900 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.213 5.983 9.115 1.00 0.00 C ATOM 0 H LEU A 94 -5.388 4.090 7.894 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.340 4.493 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.693 3.568 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.893 3.258 8.431 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.021 5.941 7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.398 6.067 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.588 4.658 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.664 4.443 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.673 6.941 8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.938 5.352 9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.352 6.147 9.763 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.284 1.692 8.702 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.116 0.285 8.972 1.00 0.00 C ATOM 1481 C ASP A 95 -4.781 -0.177 8.522 1.00 0.00 C ATOM 1482 O ASP A 95 -4.145 0.451 7.688 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.172 -0.569 8.268 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.600 -0.287 8.679 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -9.068 -0.863 9.686 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -9.278 0.509 7.984 1.00 0.00 O ATOM 0 H ASP A 95 -5.987 1.987 7.772 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.222 0.165 10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.083 -0.417 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.955 -1.620 8.460 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.346 -1.247 9.085 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.125 -1.877 8.686 1.00 0.00 C ATOM 1493 C LYS A 96 -3.221 -3.369 8.948 1.00 0.00 C ATOM 1494 O LYS A 96 -3.830 -3.797 9.932 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.886 -1.249 9.365 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.885 -1.309 10.878 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.593 -0.749 11.447 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.547 -0.896 12.961 1.00 0.00 C ATOM 1499 NZ LYS A 96 -0.650 -2.314 13.386 1.00 0.00 N ATOM 0 H LYS A 96 -4.830 -1.721 9.847 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.987 -1.713 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.993 -1.754 8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.812 -0.206 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.732 -0.745 11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.012 -2.341 11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.257 -1.267 11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.501 0.303 11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.383 -0.471 13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.362 -0.324 13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.332 -2.405 14.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.639 -2.628 13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.052 -2.904 12.773 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.675 -4.146 8.062 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.694 -5.585 8.178 1.00 0.00 C ATOM 1515 C VAL A 97 -1.275 -6.069 8.338 1.00 0.00 C ATOM 1516 O VAL A 97 -0.428 -5.813 7.478 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.324 -6.251 6.914 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.369 -7.768 7.049 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.718 -5.703 6.650 1.00 0.00 C ATOM 0 H VAL A 97 -2.198 -3.803 7.228 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.301 -5.859 9.041 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.687 -6.006 6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.813 -8.200 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.357 -8.152 7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.969 -8.038 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.136 -6.182 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.358 -5.907 7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.661 -4.627 6.487 1.00 0.00 H new ATOM 1529 N VAL A 98 -1.011 -6.731 9.430 1.00 0.00 N ATOM 1530 CA VAL A 98 0.302 -7.227 9.713 1.00 0.00 C ATOM 1531 C VAL A 98 0.415 -8.723 9.377 1.00 0.00 C ATOM 1532 O VAL A 98 -0.274 -9.577 9.967 1.00 0.00 O ATOM 1533 CB VAL A 98 0.726 -6.927 11.191 1.00 0.00 C ATOM 1534 CG1 VAL A 98 -0.239 -7.522 12.210 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.130 -7.395 11.454 1.00 0.00 C ATOM 0 H VAL A 98 -1.704 -6.941 10.149 1.00 0.00 H new ATOM 0 HA VAL A 98 1.002 -6.695 9.069 1.00 0.00 H new ATOM 0 HB VAL A 98 0.689 -5.844 11.312 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.103 -7.284 13.217 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.234 -7.104 12.056 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.277 -8.604 12.086 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.399 -7.175 12.487 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.193 -8.470 11.284 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.817 -6.880 10.782 1.00 0.00 H new ATOM 1545 N GLY A 99 1.257 -9.022 8.417 1.00 0.00 N ATOM 1546 CA GLY A 99 1.453 -10.378 7.989 1.00 0.00 C ATOM 1547 C GLY A 99 0.690 -10.635 6.718 1.00 0.00 C ATOM 1548 O GLY A 99 -0.303 -9.950 6.444 1.00 0.00 O ATOM 0 H GLY A 99 1.820 -8.335 7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.515 -10.567 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.120 -11.065 8.767 1.00 0.00 H new ATOM 1552 N ALA A 100 1.130 -11.598 5.925 1.00 0.00 N ATOM 1553 CA ALA A 100 0.421 -11.884 4.704 1.00 0.00 C ATOM 1554 C ALA A 100 -0.838 -12.641 5.044 1.00 0.00 C ATOM 1555 O ALA A 100 -0.788 -13.806 5.441 1.00 0.00 O ATOM 1556 CB ALA A 100 1.292 -12.690 3.745 1.00 0.00 C ATOM 0 H ALA A 100 1.951 -12.176 6.103 1.00 0.00 H new ATOM 0 HA ALA A 100 0.165 -10.950 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.735 -12.893 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.190 -12.121 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.575 -13.632 4.215 1.00 0.00 H new ATOM 1562 N LYS A 101 -1.942 -11.973 4.900 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.228 -12.501 5.211 1.00 0.00 C ATOM 1564 C LYS A 101 -4.126 -12.382 4.017 1.00 0.00 C ATOM 1565 O LYS A 101 -4.434 -11.286 3.598 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.823 -11.725 6.378 1.00 0.00 C ATOM 1567 CG LYS A 101 -3.116 -11.923 7.703 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.759 -11.132 8.760 1.00 0.00 C ATOM 1569 CE LYS A 101 -3.172 -11.406 10.122 1.00 0.00 C ATOM 1570 NZ LYS A 101 -3.819 -10.586 11.168 1.00 0.00 N ATOM 0 H LYS A 101 -1.969 -11.015 4.551 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.132 -13.552 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.812 -10.663 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.867 -12.015 6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.129 -12.979 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.070 -11.631 7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.656 -10.072 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.826 -11.352 8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.288 -12.463 10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.102 -11.199 10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.502 -10.906 12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.559 -9.588 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.852 -10.687 11.099 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.523 -13.493 3.455 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.390 -13.479 2.307 1.00 0.00 C ATOM 1586 C LYS A 102 -6.802 -13.002 2.688 1.00 0.00 C ATOM 1587 O LYS A 102 -7.369 -12.098 2.070 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.478 -14.891 1.738 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.342 -15.008 0.502 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.442 -16.450 -0.045 1.00 0.00 C ATOM 1591 CE LYS A 102 -7.280 -17.423 0.831 1.00 0.00 C ATOM 1592 NZ LYS A 102 -6.727 -17.672 2.187 1.00 0.00 N ATOM 0 H LYS A 102 -4.258 -14.424 3.776 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.980 -12.791 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.473 -15.238 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.871 -15.557 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.344 -14.645 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.939 -14.360 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.878 -16.415 -1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.435 -16.854 -0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.288 -17.021 0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.368 -18.376 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.872 -18.669 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.709 -17.458 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.212 -17.063 2.877 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.337 -13.618 3.709 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.714 -13.406 4.131 1.00 0.00 C ATOM 1608 C ASP A 103 -8.928 -12.077 4.833 1.00 0.00 C ATOM 1609 O ASP A 103 -9.838 -11.316 4.476 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.168 -14.565 5.013 1.00 0.00 C ATOM 1611 CG ASP A 103 -9.078 -15.888 4.294 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -7.961 -16.456 4.206 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.105 -16.374 3.779 1.00 0.00 O ATOM 0 H ASP A 103 -6.830 -14.291 4.284 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.324 -13.370 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.554 -14.598 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.196 -14.396 5.334 1.00 0.00 H new ATOM 1618 N GLU A 104 -8.078 -11.775 5.805 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.226 -10.552 6.597 1.00 0.00 C ATOM 1620 C GLU A 104 -8.005 -9.319 5.740 1.00 0.00 C ATOM 1621 O GLU A 104 -8.633 -8.268 5.963 1.00 0.00 O ATOM 1622 CB GLU A 104 -7.262 -10.535 7.782 1.00 0.00 C ATOM 1623 CG GLU A 104 -7.481 -9.361 8.725 1.00 0.00 C ATOM 1624 CD GLU A 104 -6.459 -9.282 9.817 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -6.522 -10.073 10.784 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -5.564 -8.433 9.734 1.00 0.00 O ATOM 0 H GLU A 104 -7.280 -12.355 6.067 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.246 -10.539 6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.369 -11.465 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.239 -10.504 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.463 -8.434 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.473 -9.441 9.170 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.126 -9.444 4.754 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.841 -8.350 3.852 1.00 0.00 C ATOM 1635 C LEU A 105 -8.113 -7.946 3.167 1.00 0.00 C ATOM 1636 O LEU A 105 -8.485 -6.789 3.174 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.828 -8.770 2.810 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.323 -7.672 1.878 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.649 -6.564 2.670 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.365 -8.238 0.851 1.00 0.00 C ATOM 0 H LEU A 105 -6.600 -10.297 4.563 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.431 -7.516 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.970 -9.205 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.270 -9.559 2.202 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.182 -7.252 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.296 -5.791 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.363 -6.131 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.803 -6.974 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.018 -7.438 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.512 -8.688 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.875 -8.996 0.257 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.788 -8.934 2.619 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.073 -8.739 1.931 1.00 0.00 C ATOM 1654 C GLN A 106 -11.106 -8.090 2.827 1.00 0.00 C ATOM 1655 O GLN A 106 -11.866 -7.235 2.384 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.601 -10.053 1.393 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.726 -10.647 0.330 1.00 0.00 C ATOM 1658 CD GLN A 106 -10.241 -11.965 -0.171 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -11.025 -12.021 -1.119 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -9.798 -13.032 0.442 1.00 0.00 N ATOM 0 H GLN A 106 -8.471 -9.903 2.631 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.887 -8.063 1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.697 -10.763 2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.601 -9.897 0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.650 -9.950 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.719 -10.781 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.149 -12.939 1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.101 -13.957 0.139 1.00 0.00 H new ATOM 1669 N SER A 107 -11.109 -8.461 4.086 1.00 0.00 N ATOM 1670 CA SER A 107 -12.056 -7.893 5.022 1.00 0.00 C ATOM 1671 C SER A 107 -11.721 -6.418 5.277 1.00 0.00 C ATOM 1672 O SER A 107 -12.610 -5.586 5.490 1.00 0.00 O ATOM 1673 CB SER A 107 -12.062 -8.709 6.307 1.00 0.00 C ATOM 1674 OG SER A 107 -12.361 -10.082 6.015 1.00 0.00 O ATOM 0 H SER A 107 -10.471 -9.149 4.486 1.00 0.00 H new ATOM 0 HA SER A 107 -13.061 -7.931 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.092 -8.636 6.798 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.801 -8.307 7.000 1.00 0.00 H new ATOM 0 HG SER A 107 -11.599 -10.492 5.555 1.00 0.00 H new ATOM 1680 N THR A 108 -10.447 -6.105 5.204 1.00 0.00 N ATOM 1681 CA THR A 108 -9.988 -4.755 5.352 1.00 0.00 C ATOM 1682 C THR A 108 -10.312 -3.964 4.064 1.00 0.00 C ATOM 1683 O THR A 108 -10.695 -2.790 4.116 1.00 0.00 O ATOM 1684 CB THR A 108 -8.466 -4.730 5.625 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.171 -5.554 6.774 1.00 0.00 O ATOM 1686 CG2 THR A 108 -7.991 -3.313 5.907 1.00 0.00 C ATOM 0 H THR A 108 -9.704 -6.785 5.040 1.00 0.00 H new ATOM 0 HA THR A 108 -10.495 -4.293 6.200 1.00 0.00 H new ATOM 0 HB THR A 108 -7.952 -5.109 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.316 -6.496 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.918 -3.320 6.096 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.204 -2.680 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.511 -2.922 6.782 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.176 -4.631 2.919 1.00 0.00 N ATOM 1695 CA ILE A 109 -10.484 -4.032 1.628 1.00 0.00 C ATOM 1696 C ILE A 109 -11.959 -3.673 1.576 1.00 0.00 C ATOM 1697 O ILE A 109 -12.314 -2.554 1.248 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.173 -4.992 0.444 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -8.710 -5.436 0.464 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -10.486 -4.298 -0.880 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -8.368 -6.468 -0.595 1.00 0.00 C ATOM 0 H ILE A 109 -9.851 -5.596 2.863 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.858 -3.146 1.526 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.799 -5.878 0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.073 -4.562 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.478 -5.847 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.267 -4.974 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.540 -4.023 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.875 -3.400 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.314 -6.733 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.978 -7.359 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.566 -6.054 -1.584 1.00 0.00 H new ATOM 1713 N ALA A 110 -12.805 -4.626 1.945 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.253 -4.442 1.927 1.00 0.00 C ATOM 1715 C ALA A 110 -14.696 -3.352 2.894 1.00 0.00 C ATOM 1716 O ALA A 110 -15.707 -2.685 2.666 1.00 0.00 O ATOM 1717 CB ALA A 110 -14.968 -5.746 2.205 1.00 0.00 C ATOM 0 H ALA A 110 -12.509 -5.548 2.265 1.00 0.00 H new ATOM 0 HA ALA A 110 -14.529 -4.114 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.045 -5.581 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.699 -6.478 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.675 -6.119 3.186 1.00 0.00 H new ATOM 1723 N LYS A 111 -13.955 -3.201 3.977 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.193 -2.155 4.954 1.00 0.00 C ATOM 1725 C LYS A 111 -14.030 -0.801 4.295 1.00 0.00 C ATOM 1726 O LYS A 111 -14.825 0.113 4.496 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.182 -2.290 6.052 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.332 -1.312 7.203 1.00 0.00 C ATOM 1729 CD LYS A 111 -12.304 -1.591 8.282 1.00 0.00 C ATOM 1730 CE LYS A 111 -12.371 -0.576 9.414 1.00 0.00 C ATOM 1731 NZ LYS A 111 -13.703 -0.509 10.050 1.00 0.00 N ATOM 0 H LYS A 111 -13.166 -3.805 4.204 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.203 -2.244 5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -13.237 -3.303 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.187 -2.169 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.215 -0.292 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -14.335 -1.387 7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.463 -2.592 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.306 -1.578 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.627 -0.831 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.109 0.409 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -13.658 0.108 10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -14.392 -0.125 9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.998 -1.463 10.340 1.00 0.00 H new ATOM 1745 N HIS A 112 -12.992 -0.697 3.511 1.00 0.00 N ATOM 1746 CA HIS A 112 -12.683 0.508 2.799 1.00 0.00 C ATOM 1747 C HIS A 112 -13.549 0.697 1.562 1.00 0.00 C ATOM 1748 O HIS A 112 -13.935 1.819 1.252 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.203 0.562 2.436 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.295 0.839 3.592 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -9.763 2.075 3.837 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.824 0.038 4.568 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.010 2.026 4.903 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.029 0.800 5.375 1.00 0.00 N ATOM 0 H HIS A 112 -12.331 -1.456 3.348 1.00 0.00 H new ATOM 0 HA HIS A 112 -12.909 1.335 3.472 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -10.917 -0.388 1.984 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.054 1.333 1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.036 -1.014 4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.463 2.855 5.326 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.533 0.473 6.204 1.00 0.00 H new ATOM 1763 N LEU A 113 -13.851 -0.383 0.857 1.00 0.00 N ATOM 1764 CA LEU A 113 -14.636 -0.320 -0.320 1.00 0.00 C ATOM 1765 C LEU A 113 -16.098 -0.049 0.033 1.00 0.00 C ATOM 1766 O LEU A 113 -16.844 -0.962 0.418 1.00 0.00 O ATOM 1767 CB LEU A 113 -14.432 -1.624 -1.078 1.00 0.00 C ATOM 1768 CG LEU A 113 -14.984 -1.776 -2.497 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -16.498 -1.923 -2.547 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -14.525 -0.642 -3.392 1.00 0.00 C ATOM 0 H LEU A 113 -13.546 -1.324 1.105 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.330 0.505 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -13.359 -1.807 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -14.865 -2.422 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.571 -2.711 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -16.820 -2.026 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -16.796 -2.808 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.964 -1.040 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.934 -0.780 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -14.874 0.307 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -13.436 -0.637 -3.443 1.00 0.00 H new