USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 869 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 21 CYS SG : rot -50:sc= -1.43 USER MOD Set 1.2: A 125 SER OG : rot 72:sc= 1.4 USER MOD Set 2.1: A 92 TYR OH : rot 30:sc=-0.00459 USER MOD Set 2.2: A 118 ASN : amide:sc= -3.77! C(o=-14!,f=-14!) USER MOD Set 2.3: A 127 HIS : no HD1:sc= -9.99! C(o=-14!,f=-13!) USER MOD Set 3.1: A 17 THR OG1 : rot -128:sc= 1.31 USER MOD Set 3.2: A 47 HIS : no HD1:sc= -2.78! C(o=-1.5!,f=0.15!) USER MOD Single : A 7 SER OG : rot -93:sc= 1.41 USER MOD Single : A 8 TYR OH : rot -164:sc= 0.147 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.72 X(o=-3.7,f=-3.9!) USER MOD Single : A 19 SER OG : rot 178:sc= -1.52 USER MOD Single : A 20 SER OG : rot 62:sc= -1.1 USER MOD Single : A 23 GLN : amide:sc= 0.0238 X(o=0.024,f=0) USER MOD Single : A 38 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.2!) USER MOD Single : A 40 GLN : amide:sc= -0.245 K(o=-0.24,f=-2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.99! USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -154:sc= -1.04! (180deg=-3.72!) USER MOD Single : A 53 MET CE :methyl -171:sc= 0 (180deg=-0.0465) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -149:sc= -5.9! (180deg=-10.6!) USER MOD Single : A 70 SER OG : rot -53:sc= 1.16 USER MOD Single : A 71 MET CE :methyl -151:sc= -0.0106 (180deg=-0.576) USER MOD Single : A 72 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 79 CYS SG : rot -87:sc= 0.5 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 79:sc= 1.09 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-2.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 95:sc= 0.613 USER MOD Single : A 94 CYS SG : rot 160:sc= -2.58! USER MOD Single : A 96 THR OG1 : rot 100:sc= -1.22 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0.048 K(o=0.048,f=-1.3) USER MOD Single : A 115 TYR OH : rot 80:sc= -2.43 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot -179:sc= -0.541 USER MOD Single : A 121 ASN : amide:sc= -0.631 K(o=-0.63,f=-0.011) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.818 -8.070 -3.395 1.00 0.00 N ATOM 101 CA VAL A 6 3.135 -7.617 -2.188 1.00 0.00 C ATOM 102 C VAL A 6 3.142 -8.710 -1.122 1.00 0.00 C ATOM 103 O VAL A 6 3.084 -9.900 -1.437 1.00 0.00 O ATOM 104 CB VAL A 6 1.685 -7.178 -2.484 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.912 -6.947 -1.197 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.677 -5.923 -3.337 1.00 0.00 C ATOM 0 HA VAL A 6 3.680 -6.751 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 6 1.194 -7.980 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.106 -6.639 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.886 -7.870 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.401 -6.166 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.648 -5.626 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.190 -5.120 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.188 -6.120 -4.280 1.00 0.00 H new ATOM 116 N SER A 7 3.227 -8.299 0.138 1.00 0.00 N ATOM 117 CA SER A 7 3.260 -9.243 1.250 1.00 0.00 C ATOM 118 C SER A 7 1.859 -9.673 1.669 1.00 0.00 C ATOM 119 O SER A 7 1.474 -10.827 1.481 1.00 0.00 O ATOM 120 CB SER A 7 3.994 -8.631 2.445 1.00 0.00 C ATOM 121 OG SER A 7 4.762 -9.609 3.126 1.00 0.00 O ATOM 0 H SER A 7 3.274 -7.319 0.416 1.00 0.00 H new ATOM 0 HA SER A 7 3.795 -10.129 0.910 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.645 -7.826 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.272 -8.188 3.131 1.00 0.00 H new ATOM 0 HG SER A 7 4.233 -9.988 3.859 1.00 0.00 H new ATOM 127 N TYR A 8 1.105 -8.749 2.257 1.00 0.00 N ATOM 128 CA TYR A 8 -0.243 -9.056 2.720 1.00 0.00 C ATOM 129 C TYR A 8 -1.231 -7.955 2.358 1.00 0.00 C ATOM 130 O TYR A 8 -1.127 -6.832 2.840 1.00 0.00 O ATOM 131 CB TYR A 8 -0.236 -9.269 4.229 1.00 0.00 C ATOM 132 CG TYR A 8 0.943 -10.075 4.727 1.00 0.00 C ATOM 133 CD1 TYR A 8 0.916 -11.464 4.716 1.00 0.00 C ATOM 134 CD2 TYR A 8 2.084 -9.447 5.209 1.00 0.00 C ATOM 135 CE1 TYR A 8 1.990 -12.204 5.171 1.00 0.00 C ATOM 136 CE2 TYR A 8 3.163 -10.179 5.666 1.00 0.00 C ATOM 137 CZ TYR A 8 3.112 -11.557 5.644 1.00 0.00 C ATOM 138 OH TYR A 8 4.184 -12.289 6.098 1.00 0.00 O ATOM 0 H TYR A 8 1.403 -7.788 2.423 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.566 -9.969 2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.235 -8.298 4.723 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.158 -9.773 4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.039 -11.974 4.345 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.129 -8.368 5.227 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.951 -13.283 5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.042 -9.674 6.039 1.00 0.00 H new ATOM 0 HH TYR A 8 4.776 -11.711 6.623 1.00 0.00 H new ATOM 148 N VAL A 9 -2.204 -8.287 1.520 1.00 0.00 N ATOM 149 CA VAL A 9 -3.214 -7.308 1.119 1.00 0.00 C ATOM 150 C VAL A 9 -4.548 -7.602 1.786 1.00 0.00 C ATOM 151 O VAL A 9 -5.355 -8.375 1.273 1.00 0.00 O ATOM 152 CB VAL A 9 -3.422 -7.258 -0.411 1.00 0.00 C ATOM 153 CG1 VAL A 9 -4.033 -5.924 -0.812 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.116 -7.496 -1.157 1.00 0.00 C ATOM 0 H VAL A 9 -2.318 -9.213 1.108 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.838 -6.338 1.443 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.109 -8.058 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.175 -5.899 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.996 -5.801 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.366 -5.114 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.298 -7.454 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.394 -6.727 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.720 -8.477 -0.894 1.00 0.00 H new ATOM 164 N GLU A 10 -4.768 -6.987 2.942 1.00 0.00 N ATOM 165 CA GLU A 10 -5.999 -7.188 3.695 1.00 0.00 C ATOM 166 C GLU A 10 -7.025 -6.100 3.403 1.00 0.00 C ATOM 167 O GLU A 10 -6.877 -4.961 3.844 1.00 0.00 O ATOM 168 CB GLU A 10 -5.696 -7.218 5.194 1.00 0.00 C ATOM 169 CG GLU A 10 -6.351 -8.377 5.924 1.00 0.00 C ATOM 170 CD GLU A 10 -6.500 -8.123 7.411 1.00 0.00 C ATOM 171 OE1 GLU A 10 -7.476 -7.449 7.802 1.00 0.00 O ATOM 172 OE2 GLU A 10 -5.642 -8.596 8.183 1.00 0.00 O ATOM 0 H GLU A 10 -4.108 -6.344 3.379 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.423 -8.143 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.617 -7.273 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.030 -6.282 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.334 -8.565 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.758 -9.279 5.771 1.00 0.00 H new ATOM 179 N VAL A 11 -8.082 -6.465 2.686 1.00 0.00 N ATOM 180 CA VAL A 11 -9.144 -5.519 2.374 1.00 0.00 C ATOM 181 C VAL A 11 -10.080 -5.403 3.566 1.00 0.00 C ATOM 182 O VAL A 11 -10.287 -6.375 4.291 1.00 0.00 O ATOM 183 CB VAL A 11 -9.941 -5.935 1.126 1.00 0.00 C ATOM 184 CG1 VAL A 11 -10.942 -4.856 0.747 1.00 0.00 C ATOM 185 CG2 VAL A 11 -8.998 -6.226 -0.030 1.00 0.00 C ATOM 0 H VAL A 11 -8.225 -7.403 2.312 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.682 -4.555 2.160 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.495 -6.845 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.496 -5.168 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.636 -4.697 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.413 -3.927 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.576 -6.519 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.418 -5.332 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.323 -7.036 0.246 1.00 0.00 H new ATOM 195 N ILE A 12 -10.617 -4.212 3.795 1.00 0.00 N ATOM 196 CA ILE A 12 -11.493 -3.994 4.937 1.00 0.00 C ATOM 197 C ILE A 12 -12.805 -3.324 4.548 1.00 0.00 C ATOM 198 O ILE A 12 -12.815 -2.252 3.956 1.00 0.00 O ATOM 199 CB ILE A 12 -10.783 -3.123 5.994 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.656 -3.915 6.661 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.765 -2.609 7.034 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.284 -3.341 6.402 1.00 0.00 C ATOM 0 H ILE A 12 -10.463 -3.390 3.211 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.724 -4.978 5.345 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.353 -2.258 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.831 -3.946 7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.684 -4.944 6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.235 -1.999 7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.530 -2.006 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.235 -3.453 7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.533 -3.952 6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.089 -3.335 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.238 -2.322 6.785 1.00 0.00 H new ATOM 214 N LYS A 13 -13.911 -3.961 4.908 1.00 0.00 N ATOM 215 CA LYS A 13 -15.231 -3.410 4.615 1.00 0.00 C ATOM 216 C LYS A 13 -15.923 -2.914 5.886 1.00 0.00 C ATOM 217 O LYS A 13 -16.461 -3.706 6.660 1.00 0.00 O ATOM 218 CB LYS A 13 -16.116 -4.449 3.922 1.00 0.00 C ATOM 219 CG LYS A 13 -16.885 -3.894 2.736 1.00 0.00 C ATOM 220 CD LYS A 13 -17.904 -4.895 2.213 1.00 0.00 C ATOM 221 CE LYS A 13 -19.067 -4.198 1.527 1.00 0.00 C ATOM 222 NZ LYS A 13 -20.265 -4.113 2.411 1.00 0.00 N ATOM 0 H LYS A 13 -13.923 -4.854 5.400 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.085 -2.563 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.494 -5.278 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.823 -4.854 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.393 -2.975 3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.188 -3.633 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.421 -5.575 1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.277 -5.501 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.764 -3.194 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.326 -4.736 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.036 -3.631 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.570 -5.071 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.026 -3.577 3.270 1.00 0.00 H new ATOM 236 N ASN A 14 -15.922 -1.596 6.080 1.00 0.00 N ATOM 237 CA ASN A 14 -16.565 -0.987 7.242 1.00 0.00 C ATOM 238 C ASN A 14 -15.885 -1.394 8.547 1.00 0.00 C ATOM 239 O ASN A 14 -16.554 -1.640 9.552 1.00 0.00 O ATOM 240 CB ASN A 14 -18.046 -1.375 7.283 1.00 0.00 C ATOM 241 CG ASN A 14 -18.956 -0.180 7.485 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.596 0.779 8.170 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.142 -0.232 6.890 1.00 0.00 N ATOM 0 H ASN A 14 -15.482 -0.929 5.446 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.471 0.094 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.312 -1.877 6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.208 -2.091 8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.798 0.543 6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.397 -1.047 6.332 1.00 0.00 H new ATOM 250 N GLY A 15 -14.558 -1.468 8.534 1.00 0.00 N ATOM 251 CA GLY A 15 -13.830 -1.848 9.727 1.00 0.00 C ATOM 252 C GLY A 15 -13.839 -3.345 9.940 1.00 0.00 C ATOM 253 O GLY A 15 -13.615 -3.826 11.051 1.00 0.00 O ATOM 0 H GLY A 15 -13.976 -1.272 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.800 -1.498 9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.271 -1.355 10.594 1.00 0.00 H new ATOM 257 N GLU A 16 -14.094 -4.084 8.866 1.00 0.00 N ATOM 258 CA GLU A 16 -14.125 -5.533 8.929 1.00 0.00 C ATOM 259 C GLU A 16 -13.512 -6.128 7.671 1.00 0.00 C ATOM 260 O GLU A 16 -13.995 -5.900 6.563 1.00 0.00 O ATOM 261 CB GLU A 16 -15.558 -6.037 9.106 1.00 0.00 C ATOM 262 CG GLU A 16 -15.993 -6.137 10.558 1.00 0.00 C ATOM 263 CD GLU A 16 -15.477 -7.390 11.238 1.00 0.00 C ATOM 264 OE1 GLU A 16 -14.418 -7.316 11.895 1.00 0.00 O ATOM 265 OE2 GLU A 16 -16.130 -8.447 11.110 1.00 0.00 O ATOM 0 H GLU A 16 -14.282 -3.698 7.941 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.539 -5.851 9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.237 -5.368 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.649 -7.018 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.637 -5.261 11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.082 -6.123 10.609 1.00 0.00 H new ATOM 272 N THR A 17 -12.437 -6.878 7.852 1.00 0.00 N ATOM 273 CA THR A 17 -11.732 -7.495 6.735 1.00 0.00 C ATOM 274 C THR A 17 -12.681 -8.207 5.771 1.00 0.00 C ATOM 275 O THR A 17 -13.486 -9.047 6.178 1.00 0.00 O ATOM 276 CB THR A 17 -10.689 -8.482 7.252 1.00 0.00 C ATOM 277 OG1 THR A 17 -10.017 -7.958 8.382 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.643 -8.839 6.220 1.00 0.00 C ATOM 0 H THR A 17 -12.030 -7.076 8.766 1.00 0.00 H new ATOM 0 HA THR A 17 -11.242 -6.693 6.183 1.00 0.00 H new ATOM 0 HB THR A 17 -11.246 -9.383 7.509 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.049 -8.015 8.242 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.932 -9.544 6.651 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.126 -9.294 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.116 -7.937 5.909 1.00 0.00 H new ATOM 286 N ILE A 18 -12.550 -7.884 4.487 1.00 0.00 N ATOM 287 CA ILE A 18 -13.362 -8.505 3.441 1.00 0.00 C ATOM 288 C ILE A 18 -12.513 -9.491 2.665 1.00 0.00 C ATOM 289 O ILE A 18 -12.951 -10.588 2.319 1.00 0.00 O ATOM 290 CB ILE A 18 -13.926 -7.479 2.428 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.371 -6.078 2.688 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.445 -7.473 2.455 1.00 0.00 C ATOM 293 CD1 ILE A 18 -13.907 -5.029 1.739 1.00 0.00 C ATOM 0 H ILE A 18 -11.885 -7.191 4.143 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.198 -8.991 3.943 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.604 -7.783 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.609 -5.786 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.284 -6.106 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.819 -6.745 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.817 -8.464 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.790 -7.206 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.470 -4.061 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.646 -5.297 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.991 -4.972 1.834 1.00 0.00 H new ATOM 305 N SER A 19 -11.291 -9.065 2.383 1.00 0.00 N ATOM 306 CA SER A 19 -10.348 -9.878 1.625 1.00 0.00 C ATOM 307 C SER A 19 -8.989 -9.935 2.316 1.00 0.00 C ATOM 308 O SER A 19 -8.779 -9.291 3.343 1.00 0.00 O ATOM 309 CB SER A 19 -10.201 -9.318 0.211 1.00 0.00 C ATOM 310 OG SER A 19 -11.223 -8.381 -0.070 1.00 0.00 O ATOM 0 H SER A 19 -10.926 -8.156 2.669 1.00 0.00 H new ATOM 0 HA SER A 19 -10.738 -10.894 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.226 -8.842 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.240 -10.132 -0.513 1.00 0.00 H new ATOM 0 HG SER A 19 -11.089 -8.010 -0.967 1.00 0.00 H new ATOM 316 N SER A 20 -8.070 -10.713 1.750 1.00 0.00 N ATOM 317 CA SER A 20 -6.740 -10.853 2.324 1.00 0.00 C ATOM 318 C SER A 20 -5.798 -11.601 1.387 1.00 0.00 C ATOM 319 O SER A 20 -6.049 -12.752 1.024 1.00 0.00 O ATOM 320 CB SER A 20 -6.822 -11.583 3.666 1.00 0.00 C ATOM 321 OG SER A 20 -7.164 -10.691 4.714 1.00 0.00 O ATOM 0 H SER A 20 -8.223 -11.253 0.898 1.00 0.00 H new ATOM 0 HA SER A 20 -6.338 -9.851 2.475 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.564 -12.379 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.865 -12.056 3.885 1.00 0.00 H new ATOM 0 HG SER A 20 -8.050 -10.309 4.543 1.00 0.00 H new ATOM 327 N CYS A 21 -4.701 -10.948 1.015 1.00 0.00 N ATOM 328 CA CYS A 21 -3.707 -11.554 0.140 1.00 0.00 C ATOM 329 C CYS A 21 -2.460 -11.894 0.945 1.00 0.00 C ATOM 330 O CYS A 21 -1.419 -11.252 0.799 1.00 0.00 O ATOM 331 CB CYS A 21 -3.349 -10.602 -1.004 1.00 0.00 C ATOM 332 SG CYS A 21 -1.986 -11.165 -2.054 1.00 0.00 S ATOM 0 H CYS A 21 -4.479 -9.996 1.308 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.122 -12.467 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.232 -10.454 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.089 -9.631 -0.583 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.979 -11.512 -1.309 1.00 0.00 H new ATOM 338 N PHE A 22 -2.582 -12.894 1.810 1.00 0.00 N ATOM 339 CA PHE A 22 -1.477 -13.309 2.661 1.00 0.00 C ATOM 340 C PHE A 22 -0.887 -14.622 2.170 1.00 0.00 C ATOM 341 O PHE A 22 -1.247 -15.698 2.647 1.00 0.00 O ATOM 342 CB PHE A 22 -1.953 -13.433 4.111 1.00 0.00 C ATOM 343 CG PHE A 22 -2.441 -12.127 4.671 1.00 0.00 C ATOM 344 CD1 PHE A 22 -1.900 -11.602 5.834 1.00 0.00 C ATOM 345 CD2 PHE A 22 -3.427 -11.408 4.011 1.00 0.00 C ATOM 346 CE1 PHE A 22 -2.335 -10.384 6.323 1.00 0.00 C ATOM 347 CE2 PHE A 22 -3.866 -10.199 4.498 1.00 0.00 C ATOM 348 CZ PHE A 22 -3.317 -9.683 5.652 1.00 0.00 C ATOM 0 H PHE A 22 -3.438 -13.433 1.940 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.694 -12.552 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.755 -14.170 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.135 -13.806 4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.133 -12.148 6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.856 -11.803 3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.907 -9.981 7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.640 -9.655 3.977 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.655 -8.730 6.031 1.00 0.00 H new ATOM 358 N GLN A 23 0.015 -14.518 1.202 1.00 0.00 N ATOM 359 CA GLN A 23 0.654 -15.697 0.628 1.00 0.00 C ATOM 360 C GLN A 23 2.094 -15.845 1.117 1.00 0.00 C ATOM 361 O GLN A 23 2.827 -14.862 1.215 1.00 0.00 O ATOM 362 CB GLN A 23 0.630 -15.621 -0.901 1.00 0.00 C ATOM 363 CG GLN A 23 1.418 -14.449 -1.463 1.00 0.00 C ATOM 364 CD GLN A 23 1.137 -14.212 -2.934 1.00 0.00 C ATOM 365 OE1 GLN A 23 1.387 -15.078 -3.773 1.00 0.00 O ATOM 366 NE2 GLN A 23 0.614 -13.034 -3.255 1.00 0.00 N ATOM 0 H GLN A 23 0.320 -13.632 0.798 1.00 0.00 H new ATOM 0 HA GLN A 23 0.092 -16.572 0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.032 -16.548 -1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.404 -15.547 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.174 -13.548 -0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.484 -14.632 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.423 -12.345 -2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.404 -12.818 -4.229 1.00 0.00 H new ATOM 587 N ASN A 38 9.741 -14.022 9.210 1.00 0.00 N ATOM 588 CA ASN A 38 8.625 -13.121 8.949 1.00 0.00 C ATOM 589 C ASN A 38 7.494 -13.843 8.224 1.00 0.00 C ATOM 590 O ASN A 38 6.775 -13.245 7.423 1.00 0.00 O ATOM 591 CB ASN A 38 9.096 -11.920 8.125 1.00 0.00 C ATOM 592 CG ASN A 38 9.054 -10.626 8.914 1.00 0.00 C ATOM 593 OD1 ASN A 38 8.029 -10.273 9.497 1.00 0.00 O ATOM 594 ND2 ASN A 38 10.172 -9.909 8.934 1.00 0.00 N ATOM 0 HA ASN A 38 8.244 -12.769 9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.114 -12.098 7.778 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.469 -11.823 7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.204 -9.028 9.447 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.999 -10.240 8.436 1.00 0.00 H new ATOM 601 N GLU A 39 7.334 -15.131 8.512 1.00 0.00 N ATOM 602 CA GLU A 39 6.284 -15.925 7.886 1.00 0.00 C ATOM 603 C GLU A 39 5.474 -16.683 8.934 1.00 0.00 C ATOM 604 O GLU A 39 4.913 -17.743 8.657 1.00 0.00 O ATOM 605 CB GLU A 39 6.887 -16.897 6.870 1.00 0.00 C ATOM 606 CG GLU A 39 5.869 -17.473 5.896 1.00 0.00 C ATOM 607 CD GLU A 39 6.466 -18.527 4.985 1.00 0.00 C ATOM 608 OE1 GLU A 39 7.353 -18.180 4.178 1.00 0.00 O ATOM 609 OE2 GLU A 39 6.047 -19.699 5.080 1.00 0.00 O ATOM 0 H GLU A 39 7.916 -15.645 9.173 1.00 0.00 H new ATOM 0 HA GLU A 39 5.610 -15.246 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.666 -16.383 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.369 -17.716 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.042 -17.909 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.455 -16.667 5.290 1.00 0.00 H new ATOM 616 N GLN A 40 5.406 -16.118 10.135 1.00 0.00 N ATOM 617 CA GLN A 40 4.652 -16.719 11.230 1.00 0.00 C ATOM 618 C GLN A 40 3.438 -15.858 11.560 1.00 0.00 C ATOM 619 O GLN A 40 2.366 -16.367 11.892 1.00 0.00 O ATOM 620 CB GLN A 40 5.535 -16.876 12.469 1.00 0.00 C ATOM 621 CG GLN A 40 6.748 -17.763 12.241 1.00 0.00 C ATOM 622 CD GLN A 40 7.933 -17.367 13.100 1.00 0.00 C ATOM 623 OE1 GLN A 40 8.047 -16.218 13.527 1.00 0.00 O ATOM 624 NE2 GLN A 40 8.822 -18.317 13.354 1.00 0.00 N ATOM 0 H GLN A 40 5.866 -15.240 10.376 1.00 0.00 H new ATOM 0 HA GLN A 40 4.315 -17.708 10.918 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.871 -15.891 12.793 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.938 -17.292 13.280 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.481 -18.798 12.453 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.035 -17.716 11.190 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.686 -19.256 12.979 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.642 -18.109 13.925 1.00 0.00 H new ATOM 633 N ILE A 41 3.619 -14.547 11.445 1.00 0.00 N ATOM 634 CA ILE A 41 2.559 -13.582 11.707 1.00 0.00 C ATOM 635 C ILE A 41 1.292 -13.943 10.930 1.00 0.00 C ATOM 636 O ILE A 41 1.285 -13.947 9.700 1.00 0.00 O ATOM 637 CB ILE A 41 3.032 -12.168 11.322 1.00 0.00 C ATOM 638 CG1 ILE A 41 4.283 -11.803 12.137 1.00 0.00 C ATOM 639 CG2 ILE A 41 1.923 -11.143 11.515 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.294 -10.385 12.671 1.00 0.00 C ATOM 0 H ILE A 41 4.505 -14.124 11.168 1.00 0.00 H new ATOM 0 HA ILE A 41 2.325 -13.605 12.771 1.00 0.00 H new ATOM 0 HB ILE A 41 3.291 -12.159 10.263 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.369 -12.494 12.975 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.164 -11.949 11.512 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.288 -10.155 11.235 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.071 -11.406 10.888 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.615 -11.133 12.560 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.212 -10.215 13.233 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.242 -9.683 11.839 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.435 -10.236 13.326 1.00 0.00 H new ATOM 652 N THR A 42 0.222 -14.249 11.661 1.00 0.00 N ATOM 653 CA THR A 42 -1.050 -14.613 11.047 1.00 0.00 C ATOM 654 C THR A 42 -1.767 -13.376 10.534 1.00 0.00 C ATOM 655 O THR A 42 -1.587 -12.285 11.073 1.00 0.00 O ATOM 656 CB THR A 42 -1.947 -15.328 12.068 1.00 0.00 C ATOM 657 OG1 THR A 42 -3.262 -15.475 11.567 1.00 0.00 O ATOM 658 CG2 THR A 42 -2.045 -14.606 13.394 1.00 0.00 C ATOM 0 H THR A 42 0.212 -14.252 12.681 1.00 0.00 H new ATOM 0 HA THR A 42 -0.844 -15.282 10.211 1.00 0.00 H new ATOM 0 HB THR A 42 -1.474 -16.296 12.232 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.816 -15.934 12.232 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.694 -15.167 14.067 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.052 -14.520 13.836 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.460 -13.610 13.236 1.00 0.00 H new ATOM 666 N PRO A 43 -2.621 -13.522 9.504 1.00 0.00 N ATOM 667 CA PRO A 43 -3.381 -12.394 8.968 1.00 0.00 C ATOM 668 C PRO A 43 -4.047 -11.606 10.093 1.00 0.00 C ATOM 669 O PRO A 43 -4.374 -10.434 9.937 1.00 0.00 O ATOM 670 CB PRO A 43 -4.426 -13.064 8.074 1.00 0.00 C ATOM 671 CG PRO A 43 -3.793 -14.345 7.654 1.00 0.00 C ATOM 672 CD PRO A 43 -2.933 -14.787 8.808 1.00 0.00 C ATOM 0 HA PRO A 43 -2.761 -11.677 8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.356 -13.240 8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.670 -12.441 7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.549 -15.095 7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.195 -14.207 6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.461 -15.484 9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.029 -15.291 8.466 1.00 0.00 H new ATOM 680 N VAL A 44 -4.221 -12.277 11.233 1.00 0.00 N ATOM 681 CA VAL A 44 -4.822 -11.682 12.417 1.00 0.00 C ATOM 682 C VAL A 44 -3.948 -10.566 12.972 1.00 0.00 C ATOM 683 O VAL A 44 -4.438 -9.476 13.235 1.00 0.00 O ATOM 684 CB VAL A 44 -5.007 -12.747 13.497 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.566 -12.154 14.777 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.884 -13.881 12.992 1.00 0.00 C ATOM 0 H VAL A 44 -3.946 -13.252 11.356 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.788 -11.266 12.130 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.023 -13.155 13.730 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.684 -12.941 15.522 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.881 -11.396 15.156 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.535 -11.699 14.574 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.002 -14.627 13.778 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.862 -13.489 12.715 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.418 -14.341 12.121 1.00 0.00 H new ATOM 696 N ILE A 45 -2.651 -10.832 13.149 1.00 0.00 N ATOM 697 CA ILE A 45 -1.751 -9.807 13.665 1.00 0.00 C ATOM 698 C ILE A 45 -1.803 -8.587 12.758 1.00 0.00 C ATOM 699 O ILE A 45 -1.661 -7.451 13.207 1.00 0.00 O ATOM 700 CB ILE A 45 -0.304 -10.325 13.786 1.00 0.00 C ATOM 701 CG1 ILE A 45 -0.186 -11.293 14.964 1.00 0.00 C ATOM 702 CG2 ILE A 45 0.685 -9.177 13.939 1.00 0.00 C ATOM 703 CD1 ILE A 45 0.030 -12.724 14.542 1.00 0.00 C ATOM 0 H ILE A 45 -2.211 -11.730 12.947 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.081 -9.535 14.667 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.058 -10.855 12.866 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.642 -10.980 15.600 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.092 -11.232 15.567 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.696 -9.576 14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.623 -8.525 13.068 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.445 -8.607 14.837 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.105 -13.357 15.426 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.810 -13.054 13.930 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.951 -12.798 13.964 1.00 0.00 H new ATOM 715 N PHE A 46 -2.041 -8.844 11.480 1.00 0.00 N ATOM 716 CA PHE A 46 -2.156 -7.790 10.497 1.00 0.00 C ATOM 717 C PHE A 46 -3.552 -7.186 10.558 1.00 0.00 C ATOM 718 O PHE A 46 -3.715 -5.968 10.534 1.00 0.00 O ATOM 719 CB PHE A 46 -1.904 -8.339 9.093 1.00 0.00 C ATOM 720 CG PHE A 46 -0.524 -8.888 8.888 1.00 0.00 C ATOM 721 CD1 PHE A 46 -0.288 -10.252 8.956 1.00 0.00 C ATOM 722 CD2 PHE A 46 0.532 -8.042 8.612 1.00 0.00 C ATOM 723 CE1 PHE A 46 0.979 -10.759 8.749 1.00 0.00 C ATOM 724 CE2 PHE A 46 1.803 -8.542 8.408 1.00 0.00 C ATOM 725 CZ PHE A 46 2.027 -9.903 8.475 1.00 0.00 C ATOM 0 H PHE A 46 -2.158 -9.784 11.102 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.412 -7.025 10.717 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.630 -9.125 8.886 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.079 -7.545 8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.104 -10.925 9.173 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.362 -6.977 8.555 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.150 -11.824 8.801 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.621 -7.869 8.196 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.020 -10.297 8.313 1.00 0.00 H new ATOM 735 N HIS A 47 -4.557 -8.058 10.652 1.00 0.00 N ATOM 736 CA HIS A 47 -5.944 -7.617 10.724 1.00 0.00 C ATOM 737 C HIS A 47 -6.185 -6.841 12.011 1.00 0.00 C ATOM 738 O HIS A 47 -7.065 -5.990 12.077 1.00 0.00 O ATOM 739 CB HIS A 47 -6.892 -8.827 10.612 1.00 0.00 C ATOM 740 CG HIS A 47 -7.895 -8.952 11.721 1.00 0.00 C ATOM 741 ND1 HIS A 47 -9.252 -9.076 11.504 1.00 0.00 N ATOM 742 CD2 HIS A 47 -7.729 -8.980 13.065 1.00 0.00 C ATOM 743 CE1 HIS A 47 -9.876 -9.175 12.665 1.00 0.00 C ATOM 744 NE2 HIS A 47 -8.974 -9.122 13.626 1.00 0.00 N ATOM 0 H HIS A 47 -4.433 -9.070 10.680 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.150 -6.949 9.888 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -7.427 -8.764 9.664 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.293 -9.737 10.580 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.792 -8.905 13.596 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.942 -9.281 12.803 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.170 -9.178 14.625 1.00 0.00 H new ATOM 753 N ASN A 48 -5.383 -7.131 13.025 1.00 0.00 N ATOM 754 CA ASN A 48 -5.494 -6.454 14.304 1.00 0.00 C ATOM 755 C ASN A 48 -4.605 -5.228 14.288 1.00 0.00 C ATOM 756 O ASN A 48 -4.905 -4.218 14.919 1.00 0.00 O ATOM 757 CB ASN A 48 -5.105 -7.386 15.453 1.00 0.00 C ATOM 758 CG ASN A 48 -6.095 -7.328 16.602 1.00 0.00 C ATOM 759 OD1 ASN A 48 -6.089 -6.387 17.395 1.00 0.00 O ATOM 760 ND2 ASN A 48 -6.952 -8.339 16.695 1.00 0.00 N ATOM 0 H ASN A 48 -4.646 -7.834 12.984 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.530 -6.154 14.463 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.041 -8.409 15.082 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.113 -7.117 15.817 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.641 -8.356 17.447 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.921 -9.098 16.015 1.00 0.00 H new ATOM 767 N LEU A 49 -3.527 -5.312 13.517 1.00 0.00 N ATOM 768 CA LEU A 49 -2.619 -4.193 13.356 1.00 0.00 C ATOM 769 C LEU A 49 -3.410 -3.057 12.755 1.00 0.00 C ATOM 770 O LEU A 49 -3.569 -1.989 13.337 1.00 0.00 O ATOM 771 CB LEU A 49 -1.484 -4.579 12.407 1.00 0.00 C ATOM 772 CG LEU A 49 -0.132 -4.813 13.058 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.961 -4.764 12.005 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.118 -3.778 14.140 1.00 0.00 C ATOM 0 H LEU A 49 -3.264 -6.147 12.994 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.188 -3.906 14.315 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.772 -5.486 11.875 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.376 -3.792 11.660 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.125 -5.799 13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.929 -4.932 12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.782 -5.538 11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.958 -3.787 11.523 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.091 -3.958 14.598 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.103 -2.781 13.700 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.660 -3.851 14.900 1.00 0.00 H new ATOM 786 N ILE A 50 -3.942 -3.354 11.585 1.00 0.00 N ATOM 787 CA ILE A 50 -4.785 -2.435 10.844 1.00 0.00 C ATOM 788 C ILE A 50 -5.933 -1.958 11.723 1.00 0.00 C ATOM 789 O ILE A 50 -6.051 -0.780 12.050 1.00 0.00 O ATOM 790 CB ILE A 50 -5.403 -3.139 9.617 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.351 -3.869 8.798 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.168 -2.158 8.750 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.863 -5.188 8.261 1.00 0.00 C ATOM 0 H ILE A 50 -3.800 -4.249 11.117 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.166 -1.596 10.527 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.105 -3.883 9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.036 -3.237 7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.470 -4.047 9.415 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.592 -2.683 7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.971 -1.707 9.333 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.492 -1.378 8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.078 -5.675 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.153 -5.831 9.092 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.727 -5.010 7.622 1.00 0.00 H new ATOM 805 N MET A 51 -6.778 -2.915 12.084 1.00 0.00 N ATOM 806 CA MET A 51 -7.950 -2.682 12.911 1.00 0.00 C ATOM 807 C MET A 51 -7.635 -1.885 14.180 1.00 0.00 C ATOM 808 O MET A 51 -8.418 -1.028 14.592 1.00 0.00 O ATOM 809 CB MET A 51 -8.555 -4.040 13.271 1.00 0.00 C ATOM 810 CG MET A 51 -10.013 -3.972 13.704 1.00 0.00 C ATOM 811 SD MET A 51 -11.025 -5.270 12.962 1.00 0.00 S ATOM 812 CE MET A 51 -10.326 -5.356 11.313 1.00 0.00 C ATOM 0 H MET A 51 -6.665 -3.890 11.805 1.00 0.00 H new ATOM 0 HA MET A 51 -8.657 -2.077 12.343 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.473 -4.703 12.410 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.968 -4.486 14.074 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.069 -4.050 14.790 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.423 -2.999 13.433 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.078 -5.731 10.618 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.007 -4.362 11.001 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.468 -6.028 11.316 1.00 0.00 H new ATOM 822 N ASP A 52 -6.510 -2.193 14.814 1.00 0.00 N ATOM 823 CA ASP A 52 -6.119 -1.525 16.057 1.00 0.00 C ATOM 824 C ASP A 52 -5.247 -0.285 15.828 1.00 0.00 C ATOM 825 O ASP A 52 -5.121 0.554 16.719 1.00 0.00 O ATOM 826 CB ASP A 52 -5.383 -2.506 16.969 1.00 0.00 C ATOM 827 CG ASP A 52 -5.412 -2.076 18.422 1.00 0.00 C ATOM 828 OD1 ASP A 52 -5.655 -0.879 18.682 1.00 0.00 O ATOM 829 OD2 ASP A 52 -5.192 -2.936 19.300 1.00 0.00 O ATOM 0 H ASP A 52 -5.850 -2.900 14.491 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.041 -1.185 16.529 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.835 -3.494 16.876 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.348 -2.597 16.640 1.00 0.00 H new ATOM 834 N MET A 53 -4.623 -0.181 14.660 1.00 0.00 N ATOM 835 CA MET A 53 -3.745 0.954 14.376 1.00 0.00 C ATOM 836 C MET A 53 -4.212 1.762 13.167 1.00 0.00 C ATOM 837 O MET A 53 -4.487 2.958 13.277 1.00 0.00 O ATOM 838 CB MET A 53 -2.317 0.468 14.140 1.00 0.00 C ATOM 839 CG MET A 53 -1.719 -0.270 15.325 1.00 0.00 C ATOM 840 SD MET A 53 -1.464 0.800 16.753 1.00 0.00 S ATOM 841 CE MET A 53 0.011 1.686 16.253 1.00 0.00 C ATOM 0 H MET A 53 -4.705 -0.858 13.902 1.00 0.00 H new ATOM 0 HA MET A 53 -3.779 1.609 15.247 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.305 -0.189 13.271 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.686 1.324 13.901 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.377 -1.093 15.605 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.766 -0.710 15.031 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.387 2.270 17.093 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.773 0.974 15.935 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.229 2.354 15.426 1.00 0.00 H new ATOM 851 N VAL A 54 -4.280 1.110 12.016 1.00 0.00 N ATOM 852 CA VAL A 54 -4.688 1.773 10.783 1.00 0.00 C ATOM 853 C VAL A 54 -6.137 2.261 10.834 1.00 0.00 C ATOM 854 O VAL A 54 -6.417 3.415 10.519 1.00 0.00 O ATOM 855 CB VAL A 54 -4.511 0.838 9.570 1.00 0.00 C ATOM 856 CG1 VAL A 54 -5.026 1.492 8.295 1.00 0.00 C ATOM 857 CG2 VAL A 54 -3.052 0.433 9.419 1.00 0.00 C ATOM 0 H VAL A 54 -4.058 0.120 11.908 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.040 2.643 10.675 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.102 -0.061 9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.889 0.811 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.086 1.722 8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.473 2.413 8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.945 -0.227 8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.441 1.323 9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.724 -0.088 10.319 1.00 0.00 H new ATOM 867 N LEU A 55 -7.056 1.374 11.199 1.00 0.00 N ATOM 868 CA LEU A 55 -8.473 1.724 11.253 1.00 0.00 C ATOM 869 C LEU A 55 -8.729 2.932 12.148 1.00 0.00 C ATOM 870 O LEU A 55 -9.354 3.903 11.720 1.00 0.00 O ATOM 871 CB LEU A 55 -9.302 0.526 11.704 1.00 0.00 C ATOM 872 CG LEU A 55 -9.743 -0.397 10.566 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.964 0.158 9.860 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.611 -0.614 9.579 1.00 0.00 C ATOM 0 H LEU A 55 -6.848 0.411 11.461 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.781 2.002 10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.722 -0.053 12.422 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.187 0.887 12.227 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.010 -1.361 11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.257 -0.517 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.784 0.252 10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.730 1.138 9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.947 -1.273 8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.308 0.344 9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.763 -1.069 10.092 1.00 0.00 H new ATOM 886 N PRO A 56 -8.242 2.908 13.399 1.00 0.00 N ATOM 887 CA PRO A 56 -8.421 4.023 14.331 1.00 0.00 C ATOM 888 C PRO A 56 -7.619 5.257 13.915 1.00 0.00 C ATOM 889 O PRO A 56 -7.611 6.265 14.622 1.00 0.00 O ATOM 890 CB PRO A 56 -7.899 3.476 15.670 1.00 0.00 C ATOM 891 CG PRO A 56 -7.756 2.004 15.470 1.00 0.00 C ATOM 892 CD PRO A 56 -7.477 1.816 14.008 1.00 0.00 C ATOM 0 HA PRO A 56 -9.460 4.350 14.371 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.944 3.931 15.934 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.593 3.696 16.481 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.944 1.604 16.078 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.664 1.479 15.766 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.413 1.891 13.784 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.809 0.840 13.653 1.00 0.00 H new ATOM 900 N LYS A 57 -6.952 5.179 12.761 1.00 0.00 N ATOM 901 CA LYS A 57 -6.161 6.298 12.264 1.00 0.00 C ATOM 902 C LYS A 57 -6.216 6.346 10.744 1.00 0.00 C ATOM 903 O LYS A 57 -5.324 6.893 10.093 1.00 0.00 O ATOM 904 CB LYS A 57 -4.709 6.180 12.738 1.00 0.00 C ATOM 905 CG LYS A 57 -4.217 7.404 13.496 1.00 0.00 C ATOM 906 CD LYS A 57 -4.616 7.352 14.962 1.00 0.00 C ATOM 907 CE LYS A 57 -5.306 8.635 15.401 1.00 0.00 C ATOM 908 NZ LYS A 57 -4.333 9.740 15.620 1.00 0.00 N ATOM 0 H LYS A 57 -6.946 4.356 12.159 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.581 7.223 12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.614 5.303 13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.065 6.014 11.874 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.132 7.471 13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.626 8.305 13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.282 6.505 15.129 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.730 7.187 15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.032 8.934 14.645 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.861 8.452 16.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.842 10.597 15.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.656 9.465 16.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.821 9.932 14.736 1.00 0.00 H new ATOM 922 N VAL A 58 -7.270 5.764 10.185 1.00 0.00 N ATOM 923 CA VAL A 58 -7.453 5.729 8.744 1.00 0.00 C ATOM 924 C VAL A 58 -8.143 6.992 8.257 1.00 0.00 C ATOM 925 O VAL A 58 -8.723 7.742 9.042 1.00 0.00 O ATOM 926 CB VAL A 58 -8.281 4.499 8.316 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.762 4.717 8.593 1.00 0.00 C ATOM 928 CG2 VAL A 58 -8.066 4.182 6.844 1.00 0.00 C ATOM 0 H VAL A 58 -8.014 5.308 10.714 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.463 5.662 8.293 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.938 3.649 8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.324 3.836 8.283 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.912 4.886 9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.112 5.586 8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.661 3.311 6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.372 5.036 6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.011 3.971 6.667 1.00 0.00 H new ATOM 938 N VAL A 59 -8.092 7.207 6.956 1.00 0.00 N ATOM 939 CA VAL A 59 -8.720 8.360 6.352 1.00 0.00 C ATOM 940 C VAL A 59 -9.337 7.980 5.017 1.00 0.00 C ATOM 941 O VAL A 59 -8.808 7.126 4.306 1.00 0.00 O ATOM 942 CB VAL A 59 -7.714 9.507 6.141 1.00 0.00 C ATOM 943 CG1 VAL A 59 -7.011 9.845 7.446 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.699 9.149 5.062 1.00 0.00 C ATOM 0 H VAL A 59 -7.618 6.591 6.295 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.497 8.706 7.034 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.266 10.386 5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.304 10.657 7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.748 10.153 8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.476 8.967 7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.000 9.975 4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.152 8.254 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.218 8.961 4.122 1.00 0.00 H new ATOM 1052 N VAL A 66 -3.786 4.905 -0.688 1.00 0.00 N ATOM 1053 CA VAL A 66 -2.750 3.967 -0.261 1.00 0.00 C ATOM 1054 C VAL A 66 -1.673 4.685 0.548 1.00 0.00 C ATOM 1055 O VAL A 66 -0.479 4.543 0.279 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.089 3.277 -1.469 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.346 2.020 -1.037 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.119 2.958 -2.541 1.00 0.00 C ATOM 0 HA VAL A 66 -3.234 3.213 0.360 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.362 3.968 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.888 1.551 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.571 2.285 -0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.046 1.324 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.628 2.471 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.878 2.293 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.590 3.881 -2.879 1.00 0.00 H new ATOM 1068 N THR A 67 -2.104 5.465 1.532 1.00 0.00 N ATOM 1069 CA THR A 67 -1.178 6.217 2.373 1.00 0.00 C ATOM 1070 C THR A 67 -0.578 5.334 3.463 1.00 0.00 C ATOM 1071 O THR A 67 -1.301 4.709 4.237 1.00 0.00 O ATOM 1072 CB THR A 67 -1.890 7.409 3.003 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.384 8.285 2.005 1.00 0.00 O ATOM 1074 CG2 THR A 67 -1.009 8.218 3.930 1.00 0.00 C ATOM 0 H THR A 67 -3.088 5.594 1.768 1.00 0.00 H new ATOM 0 HA THR A 67 -0.366 6.575 1.741 1.00 0.00 H new ATOM 0 HB THR A 67 -2.702 6.979 3.589 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.839 9.042 2.430 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.581 9.049 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.656 7.583 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.155 8.605 3.374 1.00 0.00 H new ATOM 1082 N LYS A 68 0.749 5.299 3.519 1.00 0.00 N ATOM 1083 CA LYS A 68 1.446 4.503 4.522 1.00 0.00 C ATOM 1084 C LYS A 68 1.298 5.139 5.898 1.00 0.00 C ATOM 1085 O LYS A 68 1.525 6.338 6.064 1.00 0.00 O ATOM 1086 CB LYS A 68 2.927 4.366 4.165 1.00 0.00 C ATOM 1087 CG LYS A 68 3.497 2.987 4.461 1.00 0.00 C ATOM 1088 CD LYS A 68 5.019 2.983 4.401 1.00 0.00 C ATOM 1089 CE LYS A 68 5.628 2.491 5.705 1.00 0.00 C ATOM 1090 NZ LYS A 68 6.902 3.192 6.022 1.00 0.00 N ATOM 0 H LYS A 68 1.362 5.811 2.884 1.00 0.00 H new ATOM 0 HA LYS A 68 0.999 3.509 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.059 4.585 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.497 5.112 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.171 2.663 5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.102 2.268 3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.350 2.346 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.378 3.990 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.918 2.644 6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.811 1.418 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.285 2.828 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.589 3.026 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.724 4.213 6.111 1.00 0.00 H new ATOM 1104 N MET A 69 0.913 4.336 6.882 1.00 0.00 N ATOM 1105 CA MET A 69 0.733 4.833 8.241 1.00 0.00 C ATOM 1106 C MET A 69 2.017 5.469 8.767 1.00 0.00 C ATOM 1107 O MET A 69 1.978 6.324 9.651 1.00 0.00 O ATOM 1108 CB MET A 69 0.290 3.703 9.171 1.00 0.00 C ATOM 1109 CG MET A 69 -0.001 4.165 10.589 1.00 0.00 C ATOM 1110 SD MET A 69 -1.215 5.499 10.650 1.00 0.00 S ATOM 1111 CE MET A 69 -2.696 4.624 10.150 1.00 0.00 C ATOM 0 H MET A 69 0.720 3.341 6.766 1.00 0.00 H new ATOM 0 HA MET A 69 -0.044 5.597 8.217 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.604 3.234 8.760 1.00 0.00 H new ATOM 0 HB3 MET A 69 1.067 2.939 9.198 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.365 3.321 11.175 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.925 4.500 11.055 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.360 5.306 9.619 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.426 3.797 9.494 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.205 4.236 11.032 1.00 0.00 H new ATOM 1121 N SER A 70 3.152 5.043 8.220 1.00 0.00 N ATOM 1122 CA SER A 70 4.447 5.571 8.637 1.00 0.00 C ATOM 1123 C SER A 70 4.620 5.469 10.148 1.00 0.00 C ATOM 1124 O SER A 70 5.353 6.249 10.755 1.00 0.00 O ATOM 1125 CB SER A 70 4.600 7.025 8.189 1.00 0.00 C ATOM 1126 OG SER A 70 5.820 7.576 8.649 1.00 0.00 O ATOM 0 H SER A 70 3.201 4.335 7.488 1.00 0.00 H new ATOM 0 HA SER A 70 5.223 4.970 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.561 7.079 7.101 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.766 7.615 8.568 1.00 0.00 H new ATOM 0 HG SER A 70 5.889 7.454 9.619 1.00 0.00 H new ATOM 1132 N MET A 71 3.939 4.498 10.745 1.00 0.00 N ATOM 1133 CA MET A 71 4.015 4.285 12.186 1.00 0.00 C ATOM 1134 C MET A 71 4.842 3.043 12.517 1.00 0.00 C ATOM 1135 O MET A 71 5.188 2.810 13.675 1.00 0.00 O ATOM 1136 CB MET A 71 2.609 4.146 12.774 1.00 0.00 C ATOM 1137 CG MET A 71 2.595 3.849 14.267 1.00 0.00 C ATOM 1138 SD MET A 71 3.443 5.112 15.234 1.00 0.00 S ATOM 1139 CE MET A 71 4.314 4.095 16.426 1.00 0.00 C ATOM 0 H MET A 71 3.328 3.846 10.254 1.00 0.00 H new ATOM 0 HA MET A 71 4.507 5.151 12.629 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.056 5.067 12.591 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.083 3.349 12.249 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.563 3.768 14.608 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.066 2.883 14.446 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.447 4.654 17.353 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.736 3.193 16.626 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.289 3.819 16.025 1.00 0.00 H new ATOM 1149 N ASN A 72 5.156 2.247 11.498 1.00 0.00 N ATOM 1150 CA ASN A 72 5.939 1.031 11.691 1.00 0.00 C ATOM 1151 C ASN A 72 5.179 0.039 12.566 1.00 0.00 C ATOM 1152 O ASN A 72 5.665 -0.377 13.619 1.00 0.00 O ATOM 1153 CB ASN A 72 7.293 1.363 12.322 1.00 0.00 C ATOM 1154 CG ASN A 72 8.418 0.519 11.757 1.00 0.00 C ATOM 1155 OD1 ASN A 72 9.493 1.027 11.440 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.174 -0.781 11.628 1.00 0.00 N ATOM 0 H ASN A 72 4.880 2.422 10.532 1.00 0.00 H new ATOM 0 HA ASN A 72 6.110 0.574 10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.517 2.417 12.160 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.235 1.211 13.400 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.893 -1.400 11.253 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.268 -1.160 11.904 1.00 0.00 H new ATOM 1163 N LEU A 73 3.984 -0.337 12.121 1.00 0.00 N ATOM 1164 CA LEU A 73 3.158 -1.281 12.859 1.00 0.00 C ATOM 1165 C LEU A 73 3.879 -2.612 13.025 1.00 0.00 C ATOM 1166 O LEU A 73 3.908 -3.187 14.114 1.00 0.00 O ATOM 1167 CB LEU A 73 1.826 -1.493 12.139 1.00 0.00 C ATOM 1168 CG LEU A 73 0.835 -0.336 12.262 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.349 0.893 11.531 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.524 -0.743 11.721 1.00 0.00 C ATOM 0 H LEU A 73 3.568 -0.001 11.253 1.00 0.00 H new ATOM 0 HA LEU A 73 2.965 -0.867 13.848 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.025 -1.670 11.082 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.358 -2.396 12.531 1.00 0.00 H new ATOM 0 HG LEU A 73 0.730 -0.087 13.318 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.628 1.704 11.632 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.303 1.200 11.961 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.486 0.658 10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.218 0.092 11.816 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.430 -1.019 10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.901 -1.595 12.287 1.00 0.00 H new ATOM 1182 N ILE A 74 4.460 -3.092 11.936 1.00 0.00 N ATOM 1183 CA ILE A 74 5.189 -4.353 11.947 1.00 0.00 C ATOM 1184 C ILE A 74 6.534 -4.204 11.243 1.00 0.00 C ATOM 1185 O ILE A 74 6.718 -3.319 10.409 1.00 0.00 O ATOM 1186 CB ILE A 74 4.363 -5.481 11.278 1.00 0.00 C ATOM 1187 CG1 ILE A 74 3.826 -6.445 12.341 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.182 -6.244 10.243 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.056 -7.614 11.765 1.00 0.00 C ATOM 0 H ILE A 74 4.441 -2.626 11.029 1.00 0.00 H new ATOM 0 HA ILE A 74 5.364 -4.625 12.988 1.00 0.00 H new ATOM 0 HB ILE A 74 3.526 -5.014 10.759 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.661 -6.825 12.930 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.178 -5.895 13.024 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.567 -7.026 9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.516 -5.557 9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.049 -6.695 10.726 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.706 -8.254 12.575 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.201 -7.243 11.200 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.706 -8.188 11.104 1.00 0.00 H new ATOM 1201 N ASP A 75 7.468 -5.085 11.578 1.00 0.00 N ATOM 1202 CA ASP A 75 8.790 -5.062 10.970 1.00 0.00 C ATOM 1203 C ASP A 75 8.887 -6.111 9.872 1.00 0.00 C ATOM 1204 O ASP A 75 8.360 -7.216 10.004 1.00 0.00 O ATOM 1205 CB ASP A 75 9.870 -5.303 12.023 1.00 0.00 C ATOM 1206 CG ASP A 75 11.253 -4.921 11.533 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.618 -3.732 11.657 1.00 0.00 O ATOM 1208 OD2 ASP A 75 11.971 -5.810 11.029 1.00 0.00 O ATOM 0 H ASP A 75 7.333 -5.824 12.268 1.00 0.00 H new ATOM 0 HA ASP A 75 8.947 -4.077 10.530 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.634 -4.729 12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.867 -6.355 12.308 1.00 0.00 H new ATOM 1213 N GLY A 76 9.557 -5.754 8.786 1.00 0.00 N ATOM 1214 CA GLY A 76 9.704 -6.669 7.673 1.00 0.00 C ATOM 1215 C GLY A 76 8.894 -6.241 6.469 1.00 0.00 C ATOM 1216 O GLY A 76 9.308 -6.451 5.329 1.00 0.00 O ATOM 0 H GLY A 76 10.002 -4.846 8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.756 -6.735 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.393 -7.667 7.982 1.00 0.00 H new ATOM 1220 N PHE A 77 7.733 -5.637 6.717 1.00 0.00 N ATOM 1221 CA PHE A 77 6.870 -5.179 5.630 1.00 0.00 C ATOM 1222 C PHE A 77 6.389 -3.750 5.875 1.00 0.00 C ATOM 1223 O PHE A 77 6.544 -3.210 6.971 1.00 0.00 O ATOM 1224 CB PHE A 77 5.663 -6.112 5.456 1.00 0.00 C ATOM 1225 CG PHE A 77 5.718 -7.370 6.282 1.00 0.00 C ATOM 1226 CD1 PHE A 77 4.882 -7.528 7.373 1.00 0.00 C ATOM 1227 CD2 PHE A 77 6.599 -8.392 5.964 1.00 0.00 C ATOM 1228 CE1 PHE A 77 4.917 -8.682 8.132 1.00 0.00 C ATOM 1229 CE2 PHE A 77 6.642 -9.549 6.723 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.797 -9.693 7.808 1.00 0.00 C ATOM 0 H PHE A 77 7.371 -5.455 7.653 1.00 0.00 H new ATOM 0 HA PHE A 77 7.461 -5.196 4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.757 -5.564 5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.582 -6.387 4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.193 -6.739 7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.259 -8.285 5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.256 -8.792 8.979 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.334 -10.338 6.468 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.826 -10.595 8.401 1.00 0.00 H new ATOM 1240 N ASP A 78 5.799 -3.146 4.847 1.00 0.00 N ATOM 1241 CA ASP A 78 5.285 -1.782 4.944 1.00 0.00 C ATOM 1242 C ASP A 78 3.758 -1.791 5.002 1.00 0.00 C ATOM 1243 O ASP A 78 3.116 -2.622 4.359 1.00 0.00 O ATOM 1244 CB ASP A 78 5.759 -0.946 3.754 1.00 0.00 C ATOM 1245 CG ASP A 78 7.230 -0.594 3.844 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.786 -0.645 4.962 1.00 0.00 O ATOM 1247 OD2 ASP A 78 7.827 -0.265 2.798 1.00 0.00 O ATOM 0 H ASP A 78 5.665 -3.581 3.934 1.00 0.00 H new ATOM 0 HA ASP A 78 5.669 -1.335 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.576 -1.496 2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.172 -0.029 3.701 1.00 0.00 H new ATOM 1252 N CYS A 79 3.182 -0.883 5.789 1.00 0.00 N ATOM 1253 CA CYS A 79 1.728 -0.815 5.945 1.00 0.00 C ATOM 1254 C CYS A 79 1.112 0.387 5.226 1.00 0.00 C ATOM 1255 O CYS A 79 1.347 1.539 5.596 1.00 0.00 O ATOM 1256 CB CYS A 79 1.363 -0.764 7.429 1.00 0.00 C ATOM 1257 SG CYS A 79 2.308 -1.906 8.465 1.00 0.00 S ATOM 0 H CYS A 79 3.697 -0.186 6.327 1.00 0.00 H new ATOM 0 HA CYS A 79 1.318 -1.715 5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.516 0.251 7.794 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.301 -0.986 7.538 1.00 0.00 H new ATOM 0 HG CYS A 79 1.722 -3.066 8.479 1.00 0.00 H new ATOM 1263 N PHE A 80 0.298 0.100 4.212 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.391 1.137 3.443 1.00 0.00 C ATOM 1265 C PHE A 80 -1.902 0.928 3.506 1.00 0.00 C ATOM 1266 O PHE A 80 -2.381 -0.201 3.391 1.00 0.00 O ATOM 1267 CB PHE A 80 0.064 1.111 1.980 1.00 0.00 C ATOM 1268 CG PHE A 80 1.531 1.369 1.788 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.992 2.647 1.516 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.446 0.332 1.868 1.00 0.00 C ATOM 1271 CE1 PHE A 80 3.341 2.886 1.328 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.796 0.565 1.684 1.00 0.00 C ATOM 1273 CZ PHE A 80 4.243 1.844 1.413 1.00 0.00 C ATOM 0 H PHE A 80 0.098 -0.851 3.901 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.142 2.105 3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.182 0.139 1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.501 1.858 1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.290 3.465 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.101 -0.670 2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.689 3.886 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.500 -0.251 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.297 2.029 1.268 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.655 2.013 3.677 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.112 1.919 3.741 1.00 0.00 C ATOM 1285 C TYR A 81 -4.776 2.866 2.749 1.00 0.00 C ATOM 1286 O TYR A 81 -4.468 4.057 2.706 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.618 2.194 5.162 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.203 3.534 5.732 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -4.966 4.678 5.512 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -3.057 3.651 6.510 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -4.594 5.895 6.049 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -2.680 4.867 7.048 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.451 5.984 6.814 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.079 7.197 7.351 1.00 0.00 O ATOM 0 H TYR A 81 -2.285 2.959 3.773 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.384 0.900 3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.706 2.135 5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.255 1.406 5.821 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.862 4.613 4.913 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.451 2.777 6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.196 6.773 5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.786 4.941 7.649 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.251 7.088 7.864 1.00 0.00 H new ATOM 1304 N SER A 82 -5.689 2.319 1.951 1.00 0.00 N ATOM 1305 CA SER A 82 -6.406 3.099 0.946 1.00 0.00 C ATOM 1306 C SER A 82 -7.902 2.807 0.994 1.00 0.00 C ATOM 1307 O SER A 82 -8.322 1.672 0.777 1.00 0.00 O ATOM 1308 CB SER A 82 -5.874 2.775 -0.449 1.00 0.00 C ATOM 1309 OG SER A 82 -6.052 3.869 -1.331 1.00 0.00 O ATOM 0 H SER A 82 -5.951 1.334 1.981 1.00 0.00 H new ATOM 0 HA SER A 82 -6.246 4.155 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.816 2.522 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.389 1.899 -0.843 1.00 0.00 H new ATOM 0 HG SER A 82 -5.358 4.541 -1.163 1.00 0.00 H new ATOM 1315 N THR A 83 -8.709 3.826 1.270 1.00 0.00 N ATOM 1316 CA THR A 83 -10.152 3.644 1.321 1.00 0.00 C ATOM 1317 C THR A 83 -10.743 3.655 -0.084 1.00 0.00 C ATOM 1318 O THR A 83 -10.207 4.296 -0.987 1.00 0.00 O ATOM 1319 CB THR A 83 -10.811 4.720 2.180 1.00 0.00 C ATOM 1320 OG1 THR A 83 -10.704 5.990 1.561 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.216 4.828 3.566 1.00 0.00 C ATOM 0 H THR A 83 -8.391 4.776 1.460 1.00 0.00 H new ATOM 0 HA THR A 83 -10.351 2.674 1.777 1.00 0.00 H new ATOM 0 HB THR A 83 -11.853 4.416 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.134 6.666 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.730 5.611 4.123 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.331 3.877 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.157 5.074 3.489 1.00 0.00 H new ATOM 1329 N ASP A 84 -11.848 2.934 -0.265 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.508 2.853 -1.567 1.00 0.00 C ATOM 1331 C ASP A 84 -12.644 4.233 -2.206 1.00 0.00 C ATOM 1332 O ASP A 84 -12.808 5.239 -1.513 1.00 0.00 O ATOM 1333 CB ASP A 84 -13.885 2.201 -1.429 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.396 1.645 -2.744 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -15.319 0.805 -2.712 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -13.875 2.050 -3.804 1.00 0.00 O ATOM 0 H ASP A 84 -12.305 2.398 0.473 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.886 2.237 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.832 1.398 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.595 2.935 -1.048 1.00 0.00 H new ATOM 1341 N ASP A 85 -12.565 4.270 -3.530 1.00 0.00 N ATOM 1342 CA ASP A 85 -12.668 5.521 -4.273 1.00 0.00 C ATOM 1343 C ASP A 85 -14.035 6.182 -4.090 1.00 0.00 C ATOM 1344 O ASP A 85 -14.203 7.364 -4.398 1.00 0.00 O ATOM 1345 CB ASP A 85 -12.410 5.275 -5.761 1.00 0.00 C ATOM 1346 CG ASP A 85 -13.294 4.183 -6.328 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -14.524 4.249 -6.124 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -12.757 3.260 -6.976 1.00 0.00 O ATOM 0 H ASP A 85 -12.429 3.445 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.912 6.198 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.579 6.199 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.364 5.004 -5.906 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.009 5.425 -3.593 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.351 5.963 -3.388 1.00 0.00 C ATOM 1355 C HIS A 86 -17.092 5.222 -2.275 1.00 0.00 C ATOM 1356 O HIS A 86 -18.322 5.240 -2.223 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.154 5.880 -4.687 1.00 0.00 C ATOM 1358 CG HIS A 86 -17.436 4.477 -5.130 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -16.933 3.367 -4.484 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -18.177 4.005 -6.162 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -17.350 2.276 -5.097 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -18.107 2.635 -6.119 1.00 0.00 N ATOM 0 H HIS A 86 -14.897 4.447 -3.327 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.247 7.006 -3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.099 6.407 -4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.608 6.398 -5.475 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -18.721 4.597 -6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -17.113 1.262 -4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -18.565 1.997 -6.770 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.347 4.571 -1.387 1.00 0.00 N ATOM 1372 CA ASP A 87 -16.952 3.832 -0.290 1.00 0.00 C ATOM 1373 C ASP A 87 -16.037 3.815 0.936 1.00 0.00 C ATOM 1374 O ASP A 87 -15.155 2.963 1.045 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.265 2.400 -0.725 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.530 1.862 -0.083 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -18.423 1.182 0.960 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.625 2.121 -0.622 1.00 0.00 O ATOM 0 H ASP A 87 -15.328 4.541 -1.407 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.880 4.336 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.370 2.368 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.427 1.753 -0.466 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.241 4.750 1.881 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.429 4.823 3.101 1.00 0.00 C ATOM 1385 C PRO A 88 -15.572 3.566 3.956 1.00 0.00 C ATOM 1386 O PRO A 88 -14.757 3.313 4.844 1.00 0.00 O ATOM 1387 CB PRO A 88 -15.984 6.045 3.837 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.348 6.252 3.274 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.275 5.799 1.845 1.00 0.00 C ATOM 0 HA PRO A 88 -14.364 4.902 2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -16.024 5.873 4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.355 6.921 3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.091 5.678 3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.642 7.300 3.337 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.232 5.411 1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -16.999 6.615 1.177 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.602 2.772 3.670 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.844 1.535 4.397 1.00 0.00 C ATOM 1399 C LYS A 89 -16.251 0.355 3.635 1.00 0.00 C ATOM 1400 O LYS A 89 -16.754 -0.767 3.710 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.343 1.328 4.609 1.00 0.00 C ATOM 1402 CG LYS A 89 -18.988 2.410 5.460 1.00 0.00 C ATOM 1403 CD LYS A 89 -20.503 2.375 5.353 1.00 0.00 C ATOM 1404 CE LYS A 89 -21.036 3.561 4.565 1.00 0.00 C ATOM 1405 NZ LYS A 89 -22.243 4.158 5.205 1.00 0.00 N ATOM 0 H LYS A 89 -17.283 2.968 2.936 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.362 1.602 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -18.839 1.296 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.505 0.359 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.693 2.279 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.623 3.388 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.813 1.448 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.939 2.376 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.258 4.319 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.282 3.242 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.575 4.963 4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.995 3.442 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.002 4.486 6.162 1.00 0.00 H new ATOM 1419 N THR A 90 -15.175 0.623 2.906 1.00 0.00 N ATOM 1420 CA THR A 90 -14.489 -0.395 2.122 1.00 0.00 C ATOM 1421 C THR A 90 -13.034 -0.001 1.934 1.00 0.00 C ATOM 1422 O THR A 90 -12.616 0.416 0.855 1.00 0.00 O ATOM 1423 CB THR A 90 -15.175 -0.572 0.764 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.499 -1.050 0.929 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.454 -1.531 -0.159 1.00 0.00 C ATOM 0 H THR A 90 -14.754 1.550 2.842 1.00 0.00 H new ATOM 0 HA THR A 90 -14.533 -1.345 2.654 1.00 0.00 H new ATOM 0 HB THR A 90 -15.163 0.418 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 90 -17.121 -0.293 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 90 -14.997 -1.607 -1.101 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.446 -1.164 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.400 -2.514 0.308 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.276 -0.134 3.008 1.00 0.00 N ATOM 1434 CA VAL A 91 -10.867 0.207 2.997 1.00 0.00 C ATOM 1435 C VAL A 91 -10.057 -0.821 2.218 1.00 0.00 C ATOM 1436 O VAL A 91 -10.587 -1.829 1.754 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.299 0.333 4.429 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.206 1.391 4.482 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.405 0.661 5.425 1.00 0.00 C ATOM 0 H VAL A 91 -12.618 -0.479 3.905 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.782 1.175 2.503 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.864 -0.628 4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.819 1.464 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.398 1.113 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.617 2.354 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.981 0.745 6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.874 1.606 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.152 -0.132 5.413 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.769 -0.550 2.083 1.00 0.00 N ATOM 1450 CA TYR A 92 -7.861 -1.434 1.365 1.00 0.00 C ATOM 1451 C TYR A 92 -6.458 -1.313 1.943 1.00 0.00 C ATOM 1452 O TYR A 92 -5.698 -0.418 1.575 1.00 0.00 O ATOM 1453 CB TYR A 92 -7.837 -1.095 -0.128 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.166 -1.291 -0.824 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -10.099 -0.264 -0.888 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -9.486 -2.504 -1.420 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -11.313 -0.438 -1.526 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -10.698 -2.687 -2.059 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.606 -1.654 -2.111 1.00 0.00 C ATOM 1460 OH TYR A 92 -12.814 -1.836 -2.749 1.00 0.00 O ATOM 0 H TYR A 92 -8.324 0.284 2.465 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.215 -2.458 1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.524 -0.058 -0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.086 -1.714 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.872 0.688 -0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.776 -3.317 -1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -12.027 0.371 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.932 -3.637 -2.516 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.121 -0.982 -3.118 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.132 -2.207 2.864 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.830 -2.189 3.508 1.00 0.00 C ATOM 1472 C VAL A 93 -3.881 -3.187 2.861 1.00 0.00 C ATOM 1473 O VAL A 93 -4.156 -4.386 2.808 1.00 0.00 O ATOM 1474 CB VAL A 93 -4.976 -2.467 5.016 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.634 -2.757 5.681 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.658 -1.282 5.674 1.00 0.00 C ATOM 0 H VAL A 93 -6.751 -2.953 3.181 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.400 -1.196 3.379 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.585 -3.362 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.788 -2.947 6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.180 -3.633 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.974 -1.899 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.765 -1.471 6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.056 -0.386 5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.643 -1.137 5.231 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.765 -2.672 2.357 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.773 -3.503 1.696 1.00 0.00 C ATOM 1488 C CYS A 94 -0.463 -3.531 2.478 1.00 0.00 C ATOM 1489 O CYS A 94 -0.009 -2.511 2.997 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.525 -2.987 0.274 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.199 -3.839 -0.612 1.00 0.00 S ATOM 0 H CYS A 94 -2.527 -1.681 2.395 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.159 -4.521 1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -2.447 -3.082 -0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.288 -1.924 0.323 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.339 -3.649 -1.890 1.00 0.00 H new ATOM 1497 N PHE A 95 0.146 -4.709 2.537 1.00 0.00 N ATOM 1498 CA PHE A 95 1.414 -4.891 3.230 1.00 0.00 C ATOM 1499 C PHE A 95 2.492 -5.267 2.226 1.00 0.00 C ATOM 1500 O PHE A 95 2.555 -6.410 1.775 1.00 0.00 O ATOM 1501 CB PHE A 95 1.304 -5.983 4.296 1.00 0.00 C ATOM 1502 CG PHE A 95 0.954 -5.471 5.663 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.337 -5.062 5.955 1.00 0.00 C ATOM 1504 CD2 PHE A 95 1.915 -5.408 6.657 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.663 -4.599 7.217 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.596 -4.946 7.919 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.306 -4.541 8.199 1.00 0.00 C ATOM 0 H PHE A 95 -0.222 -5.559 2.109 1.00 0.00 H new ATOM 0 HA PHE A 95 1.676 -3.954 3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.548 -6.704 3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.252 -6.518 4.352 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.097 -5.105 5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.926 -5.724 6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.673 -4.284 7.434 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.355 -4.902 8.686 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.055 -4.179 9.185 1.00 0.00 H new ATOM 1517 N THR A 96 3.333 -4.308 1.870 1.00 0.00 N ATOM 1518 CA THR A 96 4.395 -4.563 0.907 1.00 0.00 C ATOM 1519 C THR A 96 5.756 -4.554 1.578 1.00 0.00 C ATOM 1520 O THR A 96 6.112 -3.605 2.275 1.00 0.00 O ATOM 1521 CB THR A 96 4.357 -3.535 -0.221 1.00 0.00 C ATOM 1522 OG1 THR A 96 4.162 -2.232 0.298 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.260 -3.800 -1.228 1.00 0.00 C ATOM 0 H THR A 96 3.302 -3.354 2.229 1.00 0.00 H new ATOM 0 HA THR A 96 4.230 -5.554 0.484 1.00 0.00 H new ATOM 0 HB THR A 96 5.320 -3.617 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.022 -1.764 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.286 -3.035 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.410 -4.780 -1.680 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.292 -3.776 -0.727 1.00 0.00 H new ATOM 1531 N LEU A 97 6.514 -5.624 1.355 1.00 0.00 N ATOM 1532 CA LEU A 97 7.848 -5.767 1.924 1.00 0.00 C ATOM 1533 C LEU A 97 8.596 -4.435 1.928 1.00 0.00 C ATOM 1534 O LEU A 97 8.593 -3.714 0.934 1.00 0.00 O ATOM 1535 CB LEU A 97 8.626 -6.813 1.140 1.00 0.00 C ATOM 1536 CG LEU A 97 7.921 -8.163 1.031 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.645 -9.056 0.055 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.821 -8.829 2.395 1.00 0.00 C ATOM 0 H LEU A 97 6.221 -6.412 0.777 1.00 0.00 H new ATOM 0 HA LEU A 97 7.750 -6.091 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.816 -6.432 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.596 -6.959 1.614 1.00 0.00 H new ATOM 0 HG LEU A 97 6.910 -7.995 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.130 -10.015 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.661 -8.584 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.667 -9.216 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.315 -9.789 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.822 -8.986 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.254 -8.189 3.071 1.00 0.00 H new ATOM 1550 N VAL A 98 9.210 -4.100 3.060 1.00 0.00 N ATOM 1551 CA VAL A 98 9.942 -2.838 3.196 1.00 0.00 C ATOM 1552 C VAL A 98 10.827 -2.564 1.979 1.00 0.00 C ATOM 1553 O VAL A 98 11.066 -1.410 1.624 1.00 0.00 O ATOM 1554 CB VAL A 98 10.813 -2.802 4.473 1.00 0.00 C ATOM 1555 CG1 VAL A 98 10.082 -2.086 5.596 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.219 -4.203 4.904 1.00 0.00 C ATOM 0 H VAL A 98 9.217 -4.683 3.897 1.00 0.00 H new ATOM 0 HA VAL A 98 9.183 -2.059 3.270 1.00 0.00 H new ATOM 0 HB VAL A 98 11.723 -2.248 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.710 -2.070 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.859 -1.064 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.152 -2.610 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.830 -4.144 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.326 -4.793 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.792 -4.677 4.107 1.00 0.00 H new ATOM 1566 N ASP A 99 11.305 -3.628 1.342 1.00 0.00 N ATOM 1567 CA ASP A 99 12.154 -3.492 0.163 1.00 0.00 C ATOM 1568 C ASP A 99 11.366 -2.907 -1.006 1.00 0.00 C ATOM 1569 O ASP A 99 11.929 -2.248 -1.881 1.00 0.00 O ATOM 1570 CB ASP A 99 12.742 -4.848 -0.228 1.00 0.00 C ATOM 1571 CG ASP A 99 13.608 -5.442 0.866 1.00 0.00 C ATOM 1572 OD1 ASP A 99 13.079 -5.705 1.965 1.00 0.00 O ATOM 1573 OD2 ASP A 99 14.816 -5.645 0.621 1.00 0.00 O ATOM 0 H ASP A 99 11.120 -4.591 1.621 1.00 0.00 H new ATOM 0 HA ASP A 99 12.969 -2.810 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.931 -5.539 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.335 -4.735 -1.136 1.00 0.00 H new ATOM 1578 N ILE A 100 10.061 -3.154 -1.011 1.00 0.00 N ATOM 1579 CA ILE A 100 9.184 -2.657 -2.064 1.00 0.00 C ATOM 1580 C ILE A 100 9.053 -1.138 -2.002 1.00 0.00 C ATOM 1581 O ILE A 100 8.797 -0.574 -0.938 1.00 0.00 O ATOM 1582 CB ILE A 100 7.773 -3.272 -1.949 1.00 0.00 C ATOM 1583 CG1 ILE A 100 7.861 -4.799 -1.852 1.00 0.00 C ATOM 1584 CG2 ILE A 100 6.907 -2.848 -3.130 1.00 0.00 C ATOM 1585 CD1 ILE A 100 8.010 -5.491 -3.189 1.00 0.00 C ATOM 0 H ILE A 100 9.585 -3.699 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 100 9.635 -2.947 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 100 7.305 -2.901 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.708 -5.065 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.965 -5.174 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.916 -3.291 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.819 -1.762 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.366 -3.188 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.066 -6.569 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.151 -5.257 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.921 -5.146 -3.678 1.00 0.00 H new ATOM 1597 N PRO A 101 9.216 -0.445 -3.146 1.00 0.00 N ATOM 1598 CA PRO A 101 9.101 1.015 -3.198 1.00 0.00 C ATOM 1599 C PRO A 101 7.720 1.486 -2.756 1.00 0.00 C ATOM 1600 O PRO A 101 6.856 0.675 -2.420 1.00 0.00 O ATOM 1601 CB PRO A 101 9.330 1.352 -4.677 1.00 0.00 C ATOM 1602 CG PRO A 101 10.021 0.161 -5.245 1.00 0.00 C ATOM 1603 CD PRO A 101 9.512 -1.020 -4.468 1.00 0.00 C ATOM 0 HA PRO A 101 9.810 1.504 -2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.386 1.541 -5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.938 2.250 -4.787 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.803 0.053 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.103 0.255 -5.149 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.624 -1.453 -4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.257 -1.813 -4.405 1.00 0.00 H new ATOM 1611 N LYS A 102 7.514 2.798 -2.760 1.00 0.00 N ATOM 1612 CA LYS A 102 6.232 3.368 -2.362 1.00 0.00 C ATOM 1613 C LYS A 102 5.388 3.703 -3.587 1.00 0.00 C ATOM 1614 O LYS A 102 5.064 4.866 -3.830 1.00 0.00 O ATOM 1615 CB LYS A 102 6.449 4.623 -1.513 1.00 0.00 C ATOM 1616 CG LYS A 102 5.366 4.848 -0.473 1.00 0.00 C ATOM 1617 CD LYS A 102 5.371 6.278 0.037 1.00 0.00 C ATOM 1618 CE LYS A 102 4.544 6.423 1.305 1.00 0.00 C ATOM 1619 NZ LYS A 102 4.915 7.642 2.076 1.00 0.00 N ATOM 0 H LYS A 102 8.216 3.486 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 102 5.698 2.627 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.414 4.549 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.497 5.492 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.392 4.618 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.514 4.163 0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.396 6.591 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.977 6.941 -0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.486 6.466 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.683 5.542 1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.328 7.703 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.918 7.590 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.759 8.486 1.488 1.00 0.00 H new ATOM 1633 N ILE A 103 5.040 2.678 -4.361 1.00 0.00 N ATOM 1634 CA ILE A 103 4.239 2.876 -5.562 1.00 0.00 C ATOM 1635 C ILE A 103 3.463 1.614 -5.941 1.00 0.00 C ATOM 1636 O ILE A 103 2.315 1.703 -6.375 1.00 0.00 O ATOM 1637 CB ILE A 103 5.114 3.348 -6.746 1.00 0.00 C ATOM 1638 CG1 ILE A 103 4.285 3.471 -8.029 1.00 0.00 C ATOM 1639 CG2 ILE A 103 6.293 2.410 -6.947 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.391 4.692 -8.056 1.00 0.00 C ATOM 0 H ILE A 103 5.299 1.708 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 103 3.514 3.658 -5.336 1.00 0.00 H new ATOM 0 HB ILE A 103 5.503 4.338 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.959 3.505 -8.885 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.670 2.578 -8.142 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.897 2.759 -7.785 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.902 2.392 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.927 1.405 -7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.834 4.715 -8.993 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.693 4.650 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.001 5.592 -7.975 1.00 0.00 H new ATOM 1652 N LEU A 104 4.066 0.440 -5.763 1.00 0.00 N ATOM 1653 CA LEU A 104 3.371 -0.804 -6.084 1.00 0.00 C ATOM 1654 C LEU A 104 2.116 -0.919 -5.230 1.00 0.00 C ATOM 1655 O LEU A 104 1.006 -0.946 -5.760 1.00 0.00 O ATOM 1656 CB LEU A 104 4.260 -2.046 -5.883 1.00 0.00 C ATOM 1657 CG LEU A 104 3.504 -3.387 -5.862 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.323 -3.936 -7.272 1.00 0.00 C ATOM 1659 CD2 LEU A 104 4.219 -4.406 -4.987 1.00 0.00 C ATOM 0 H LEU A 104 5.014 0.324 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 104 3.106 -0.769 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.002 -2.076 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.804 -1.937 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 104 2.518 -3.201 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.786 -4.884 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.753 -3.224 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.300 -4.094 -7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.663 -5.343 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.223 -4.578 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.285 -4.027 -3.967 1.00 0.00 H new ATOM 1671 N PRO A 105 2.267 -0.967 -3.889 1.00 0.00 N ATOM 1672 CA PRO A 105 1.135 -1.059 -2.967 1.00 0.00 C ATOM 1673 C PRO A 105 0.036 -0.084 -3.350 1.00 0.00 C ATOM 1674 O PRO A 105 -1.153 -0.389 -3.255 1.00 0.00 O ATOM 1675 CB PRO A 105 1.734 -0.684 -1.598 1.00 0.00 C ATOM 1676 CG PRO A 105 3.140 -0.252 -1.873 1.00 0.00 C ATOM 1677 CD PRO A 105 3.539 -0.909 -3.162 1.00 0.00 C ATOM 0 HA PRO A 105 0.677 -2.048 -2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.164 0.117 -1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.712 -1.534 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.204 0.833 -1.954 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.804 -0.551 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.289 -0.328 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.960 -1.901 -3.000 1.00 0.00 H new ATOM 1685 N ILE A 106 0.455 1.090 -3.803 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.468 2.122 -4.229 1.00 0.00 C ATOM 1687 C ILE A 106 -1.267 1.646 -5.437 1.00 0.00 C ATOM 1688 O ILE A 106 -2.461 1.924 -5.561 1.00 0.00 O ATOM 1689 CB ILE A 106 0.290 3.421 -4.568 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.904 4.027 -3.304 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.613 4.430 -5.259 1.00 0.00 C ATOM 1692 CD1 ILE A 106 2.229 3.412 -2.918 1.00 0.00 C ATOM 0 H ILE A 106 1.438 1.348 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.157 2.330 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 106 1.092 3.167 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.041 5.098 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.204 3.908 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.045 5.333 -5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.994 4.002 -6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.448 4.679 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.603 3.892 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.096 2.346 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.946 3.554 -3.727 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.596 0.909 -6.313 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.233 0.371 -7.506 1.00 0.00 C ATOM 1706 C ARG A 107 -1.963 -0.934 -7.191 1.00 0.00 C ATOM 1707 O ARG A 107 -2.833 -1.358 -7.950 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.197 0.149 -8.608 1.00 0.00 C ATOM 1709 CG ARG A 107 -0.057 1.334 -9.554 1.00 0.00 C ATOM 1710 CD ARG A 107 0.224 2.623 -8.797 1.00 0.00 C ATOM 1711 NE ARG A 107 0.064 3.802 -9.646 1.00 0.00 N ATOM 1712 CZ ARG A 107 -1.117 4.339 -9.952 1.00 0.00 C ATOM 1713 NH1 ARG A 107 -2.237 3.809 -9.480 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -1.174 5.410 -10.732 1.00 0.00 N ATOM 0 H ARG A 107 0.391 0.670 -6.218 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.967 1.096 -7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.771 -0.058 -8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.473 -0.735 -9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.750 1.143 -10.261 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.971 1.445 -10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.450 2.697 -7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 107 1.239 2.597 -8.400 1.00 0.00 H new ATOM 0 HE ARG A 107 0.904 4.239 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.198 2.986 -8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.138 4.225 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.315 5.822 -11.097 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.077 5.822 -10.967 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.620 -1.563 -6.066 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.272 -2.808 -5.668 1.00 0.00 C ATOM 1730 C ILE A 108 -3.704 -2.529 -5.239 1.00 0.00 C ATOM 1731 O ILE A 108 -4.636 -3.196 -5.683 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.534 -3.520 -4.514 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.031 -3.515 -4.759 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.029 -4.951 -4.365 1.00 0.00 C ATOM 1735 CD1 ILE A 108 0.376 -4.282 -5.994 1.00 0.00 C ATOM 0 H ILE A 108 -0.902 -1.234 -5.421 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.252 -3.467 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.743 -2.978 -3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.312 -2.484 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.473 -3.942 -3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.497 -5.437 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.098 -4.946 -4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.847 -5.497 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.459 -4.238 -6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.063 -5.322 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.100 -3.841 -6.870 1.00 0.00 H new ATOM 1747 N LEU A 109 -3.875 -1.520 -4.391 1.00 0.00 N ATOM 1748 CA LEU A 109 -5.201 -1.140 -3.928 1.00 0.00 C ATOM 1749 C LEU A 109 -5.942 -0.417 -5.039 1.00 0.00 C ATOM 1750 O LEU A 109 -7.088 -0.745 -5.348 1.00 0.00 O ATOM 1751 CB LEU A 109 -5.110 -0.265 -2.676 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.644 -0.985 -1.401 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.846 -2.491 -1.514 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.186 -0.666 -1.113 1.00 0.00 C ATOM 0 H LEU A 109 -3.115 -0.954 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.754 -2.041 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.426 0.559 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.090 0.173 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.252 -0.625 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.507 -2.973 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.904 -2.706 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.272 -2.873 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.872 -1.184 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.570 -0.994 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.069 0.409 -0.975 1.00 0.00 H new ATOM 1766 N SER A 110 -5.269 0.542 -5.666 1.00 0.00 N ATOM 1767 CA SER A 110 -5.864 1.270 -6.775 1.00 0.00 C ATOM 1768 C SER A 110 -6.109 0.306 -7.929 1.00 0.00 C ATOM 1769 O SER A 110 -7.039 0.476 -8.716 1.00 0.00 O ATOM 1770 CB SER A 110 -4.955 2.416 -7.223 1.00 0.00 C ATOM 1771 OG SER A 110 -5.394 2.968 -8.451 1.00 0.00 O ATOM 0 H SER A 110 -4.320 0.830 -5.426 1.00 0.00 H new ATOM 0 HA SER A 110 -6.811 1.702 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.939 3.192 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.933 2.053 -7.329 1.00 0.00 H new ATOM 0 HG SER A 110 -4.796 3.699 -8.713 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.269 -0.727 -7.998 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.410 -1.733 -9.028 1.00 0.00 C ATOM 1779 C GLY A 111 -6.560 -2.666 -8.726 1.00 0.00 C ATOM 1780 O GLY A 111 -7.382 -2.949 -9.597 1.00 0.00 O ATOM 0 H GLY A 111 -4.493 -0.881 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.573 -1.250 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.486 -2.305 -9.110 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.641 -3.122 -7.473 1.00 0.00 N ATOM 1785 CA LEU A 112 -7.730 -3.998 -7.057 1.00 0.00 C ATOM 1786 C LEU A 112 -9.054 -3.304 -7.338 1.00 0.00 C ATOM 1787 O LEU A 112 -10.044 -3.940 -7.698 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.625 -4.340 -5.563 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.463 -5.266 -5.172 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -5.968 -4.944 -3.770 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -6.883 -6.724 -5.250 1.00 0.00 C ATOM 0 H LEU A 112 -5.970 -2.899 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.668 -4.930 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.529 -3.410 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.559 -4.807 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.651 -5.099 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.145 -5.611 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.622 -3.911 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.781 -5.079 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.044 -7.360 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.716 -6.900 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.192 -6.960 -6.268 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.048 -1.981 -7.195 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.231 -1.180 -7.460 1.00 0.00 C ATOM 1805 C GLN A 113 -10.517 -1.142 -8.958 1.00 0.00 C ATOM 1806 O GLN A 113 -11.618 -0.787 -9.379 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.045 0.241 -6.925 1.00 0.00 C ATOM 1808 CG GLN A 113 -10.106 0.335 -5.409 1.00 0.00 C ATOM 1809 CD GLN A 113 -9.958 1.757 -4.908 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -10.105 2.715 -5.668 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -9.667 1.905 -3.621 1.00 0.00 N ATOM 0 H GLN A 113 -8.234 -1.444 -6.896 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.079 -1.636 -6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.084 0.625 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.815 0.884 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.055 -0.072 -5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.318 -0.282 -4.978 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.554 1.084 -3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.557 2.839 -3.227 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.521 -1.521 -9.764 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.682 -1.536 -11.207 1.00 0.00 C ATOM 1822 C GLU A 114 -10.552 -2.712 -11.631 1.00 0.00 C ATOM 1823 O GLU A 114 -11.138 -2.701 -12.713 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.317 -1.616 -11.895 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.179 -0.678 -13.084 1.00 0.00 C ATOM 1826 CD GLU A 114 -8.172 -1.414 -14.410 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -7.716 -2.575 -14.443 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -8.624 -0.828 -15.416 1.00 0.00 O ATOM 0 H GLU A 114 -8.602 -1.819 -9.437 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.172 -0.611 -11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.539 -1.384 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.147 -2.640 -12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.001 0.038 -13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.257 -0.106 -12.985 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.638 -3.729 -10.773 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.441 -4.899 -11.077 1.00 0.00 C ATOM 1837 C TYR A 115 -12.902 -4.679 -10.677 1.00 0.00 C ATOM 1838 O TYR A 115 -13.677 -4.120 -11.452 1.00 0.00 O ATOM 1839 CB TYR A 115 -10.865 -6.135 -10.385 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.548 -6.590 -10.972 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -9.406 -7.864 -11.505 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -8.449 -5.741 -11.002 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -8.206 -8.281 -12.048 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -7.247 -6.148 -11.543 1.00 0.00 C ATOM 1845 CZ TYR A 115 -7.130 -7.419 -12.064 1.00 0.00 C ATOM 1846 OH TYR A 115 -5.934 -7.827 -12.604 1.00 0.00 O ATOM 0 H TYR A 115 -10.163 -3.761 -9.871 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.412 -5.064 -12.154 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.727 -5.919 -9.326 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.586 -6.950 -10.453 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -10.248 -8.541 -11.495 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.537 -4.745 -10.595 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.111 -9.276 -12.457 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.403 -5.475 -11.558 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.975 -7.757 -13.581 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.269 -5.110 -9.465 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.635 -4.956 -8.959 1.00 0.00 C ATOM 1858 C GLU A 116 -14.888 -5.909 -7.790 1.00 0.00 C ATOM 1859 O GLU A 116 -15.732 -5.646 -6.935 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.670 -5.213 -10.066 1.00 0.00 C ATOM 1861 CG GLU A 116 -17.099 -5.350 -9.559 1.00 0.00 C ATOM 1862 CD GLU A 116 -17.600 -4.090 -8.881 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -18.560 -3.480 -9.400 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -17.035 -3.713 -7.833 1.00 0.00 O ATOM 0 H GLU A 116 -12.634 -5.571 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.743 -3.928 -8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.628 -4.395 -10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.396 -6.123 -10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.755 -5.594 -10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.153 -6.182 -8.857 1.00 0.00 H new ATOM 1871 N SER A 117 -14.158 -7.020 -7.767 1.00 0.00 N ATOM 1872 CA SER A 117 -14.312 -8.015 -6.711 1.00 0.00 C ATOM 1873 C SER A 117 -13.360 -7.747 -5.553 1.00 0.00 C ATOM 1874 O SER A 117 -13.702 -7.019 -4.622 1.00 0.00 O ATOM 1875 CB SER A 117 -14.093 -9.423 -7.273 1.00 0.00 C ATOM 1876 OG SER A 117 -15.233 -9.871 -7.987 1.00 0.00 O ATOM 0 H SER A 117 -13.454 -7.254 -8.467 1.00 0.00 H new ATOM 0 HA SER A 117 -15.329 -7.944 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.224 -9.424 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.876 -10.113 -6.458 1.00 0.00 H new ATOM 0 HG SER A 117 -15.067 -10.771 -8.337 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.167 -8.340 -5.607 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.169 -8.170 -4.552 1.00 0.00 C ATOM 1884 C ASN A 118 -11.826 -8.158 -3.173 1.00 0.00 C ATOM 1885 O ASN A 118 -11.377 -7.452 -2.272 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.389 -6.871 -4.767 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.294 -5.692 -5.061 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -11.458 -5.293 -6.214 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -11.891 -5.127 -4.018 1.00 0.00 N ATOM 0 H ASN A 118 -11.868 -8.944 -6.373 1.00 0.00 H new ATOM 0 HA ASN A 118 -10.481 -9.014 -4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.795 -6.656 -3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.690 -7.003 -5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.513 -4.331 -4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -11.727 -5.489 -3.079 1.00 0.00 H new ATOM 1896 N ALA A 119 -12.911 -8.918 -3.029 1.00 0.00 N ATOM 1897 CA ALA A 119 -13.647 -8.968 -1.768 1.00 0.00 C ATOM 1898 C ALA A 119 -13.591 -10.339 -1.092 1.00 0.00 C ATOM 1899 O ALA A 119 -14.559 -10.749 -0.450 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.092 -8.571 -2.016 1.00 0.00 C ATOM 0 H ALA A 119 -13.298 -9.505 -3.768 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.167 -8.267 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -15.645 -8.607 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.127 -7.559 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -15.542 -9.262 -2.729 1.00 0.00 H new ATOM 1906 N THR A 120 -12.468 -11.046 -1.211 1.00 0.00 N ATOM 1907 CA THR A 120 -12.342 -12.353 -0.572 1.00 0.00 C ATOM 1908 C THR A 120 -10.892 -12.633 -0.200 1.00 0.00 C ATOM 1909 O THR A 120 -9.968 -12.147 -0.852 1.00 0.00 O ATOM 1910 CB THR A 120 -12.899 -13.469 -1.474 1.00 0.00 C ATOM 1911 OG1 THR A 120 -11.863 -14.304 -1.958 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.672 -12.960 -2.675 1.00 0.00 C ATOM 0 H THR A 120 -11.647 -10.742 -1.734 1.00 0.00 H new ATOM 0 HA THR A 120 -12.934 -12.337 0.343 1.00 0.00 H new ATOM 0 HB THR A 120 -13.584 -14.022 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.244 -14.995 -2.539 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.032 -13.806 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.521 -12.366 -2.336 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.020 -12.342 -3.292 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.691 -13.423 0.850 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.346 -13.761 1.307 1.00 0.00 C ATOM 1922 C ASN A 121 -8.636 -14.697 0.340 1.00 0.00 C ATOM 1923 O ASN A 121 -7.771 -15.475 0.737 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.399 -14.389 2.701 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.243 -15.649 2.735 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -9.735 -16.755 2.552 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -11.540 -15.486 2.969 1.00 0.00 N ATOM 0 H ASN A 121 -11.441 -13.841 1.400 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.775 -12.834 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -8.387 -14.624 3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -9.804 -13.665 3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.158 -16.297 3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.918 -14.550 3.115 1.00 0.00 H new ATOM 1934 N GLU A 122 -8.990 -14.602 -0.933 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.371 -15.420 -1.953 1.00 0.00 C ATOM 1936 C GLU A 122 -8.832 -14.962 -3.324 1.00 0.00 C ATOM 1937 O GLU A 122 -8.887 -15.749 -4.270 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.715 -16.897 -1.745 1.00 0.00 C ATOM 1939 CG GLU A 122 -7.634 -17.849 -2.235 1.00 0.00 C ATOM 1940 CD GLU A 122 -7.322 -18.942 -1.231 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -7.295 -20.125 -1.631 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -7.104 -18.616 -0.046 1.00 0.00 O ATOM 0 H GLU A 122 -9.705 -13.963 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.289 -15.310 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.890 -17.075 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.647 -17.121 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.953 -18.303 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -6.726 -17.284 -2.446 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.171 -13.677 -3.429 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.632 -13.123 -4.678 1.00 0.00 C ATOM 1951 C LEU A 123 -8.888 -11.835 -4.965 1.00 0.00 C ATOM 1952 O LEU A 123 -8.324 -11.656 -6.042 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.130 -12.880 -4.601 1.00 0.00 C ATOM 1954 CG LEU A 123 -11.791 -12.533 -5.919 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.296 -12.577 -5.760 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.329 -11.168 -6.384 1.00 0.00 C ATOM 0 H LEU A 123 -9.131 -13.010 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.436 -13.822 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.607 -13.772 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.316 -12.071 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.505 -13.263 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.770 -12.327 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.601 -13.578 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.603 -11.857 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -11.808 -10.925 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -11.598 -10.419 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.247 -11.176 -6.516 1.00 0.00 H new ATOM 1968 N LEU A 124 -8.860 -10.952 -3.978 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.146 -9.697 -4.118 1.00 0.00 C ATOM 1970 C LEU A 124 -6.701 -10.001 -4.482 1.00 0.00 C ATOM 1971 O LEU A 124 -6.135 -9.395 -5.391 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.247 -8.882 -2.825 1.00 0.00 C ATOM 1973 CG LEU A 124 -6.971 -8.783 -1.984 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -6.707 -7.339 -1.605 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.080 -9.662 -0.749 1.00 0.00 C ATOM 0 H LEU A 124 -9.321 -11.082 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.589 -9.094 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.567 -7.872 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.032 -9.318 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.128 -9.140 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -5.797 -7.280 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.586 -6.742 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.547 -6.955 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.165 -9.580 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.928 -9.338 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.225 -10.699 -1.052 1.00 0.00 H new ATOM 1987 N SER A 125 -6.120 -10.972 -3.779 1.00 0.00 N ATOM 1988 CA SER A 125 -4.748 -11.385 -4.044 1.00 0.00 C ATOM 1989 C SER A 125 -4.541 -11.593 -5.542 1.00 0.00 C ATOM 1990 O SER A 125 -3.443 -11.393 -6.070 1.00 0.00 O ATOM 1991 CB SER A 125 -4.433 -12.682 -3.297 1.00 0.00 C ATOM 1992 OG SER A 125 -3.195 -13.229 -3.722 1.00 0.00 O ATOM 0 H SER A 125 -6.578 -11.484 -3.025 1.00 0.00 H new ATOM 0 HA SER A 125 -4.076 -10.600 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 125 -4.400 -12.489 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.231 -13.405 -3.466 1.00 0.00 H new ATOM 0 HG SER A 125 -2.460 -12.680 -3.379 1.00 0.00 H new ATOM 1998 N SER A 126 -5.615 -11.989 -6.221 1.00 0.00 N ATOM 1999 CA SER A 126 -5.569 -12.226 -7.654 1.00 0.00 C ATOM 2000 C SER A 126 -5.221 -10.959 -8.406 1.00 0.00 C ATOM 2001 O SER A 126 -4.234 -10.908 -9.138 1.00 0.00 O ATOM 2002 CB SER A 126 -6.918 -12.750 -8.135 1.00 0.00 C ATOM 2003 OG SER A 126 -6.759 -13.730 -9.147 1.00 0.00 O ATOM 0 H SER A 126 -6.528 -12.152 -5.797 1.00 0.00 H new ATOM 0 HA SER A 126 -4.794 -12.967 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.465 -13.177 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.516 -11.923 -8.517 1.00 0.00 H new ATOM 0 HG SER A 126 -7.640 -14.049 -9.435 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.036 -9.935 -8.219 1.00 0.00 N ATOM 2010 CA HIS A 127 -5.805 -8.669 -8.881 1.00 0.00 C ATOM 2011 C HIS A 127 -4.428 -8.147 -8.517 1.00 0.00 C ATOM 2012 O HIS A 127 -3.717 -7.616 -9.358 1.00 0.00 O ATOM 2013 CB HIS A 127 -6.883 -7.650 -8.512 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.274 -8.204 -8.560 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -9.377 -7.504 -8.114 1.00 0.00 N ATOM 2016 CD2 HIS A 127 -8.741 -9.391 -9.012 1.00 0.00 C ATOM 2017 CE1 HIS A 127 -10.461 -8.240 -8.289 1.00 0.00 C ATOM 2018 NE2 HIS A 127 -10.101 -9.390 -8.831 1.00 0.00 N ATOM 0 H HIS A 127 -6.859 -9.958 -7.617 1.00 0.00 H new ATOM 0 HA HIS A 127 -5.854 -8.825 -9.959 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -6.686 -7.272 -7.509 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.816 -6.800 -9.191 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -8.152 -10.191 -9.436 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.469 -7.951 -8.033 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -10.732 -10.153 -9.075 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.045 -8.322 -7.259 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.735 -7.874 -6.805 1.00 0.00 C ATOM 2029 C VAL A 128 -1.647 -8.383 -7.739 1.00 0.00 C ATOM 2030 O VAL A 128 -0.766 -7.628 -8.145 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.430 -8.344 -5.370 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.098 -7.771 -4.891 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.561 -7.951 -4.433 1.00 0.00 C ATOM 0 H VAL A 128 -4.617 -8.767 -6.541 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.751 -6.784 -6.812 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.349 -9.431 -5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -0.899 -8.113 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.299 -8.108 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.145 -6.682 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.331 -8.290 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.675 -6.867 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.489 -8.414 -4.769 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.718 -9.668 -8.088 1.00 0.00 N ATOM 2044 CA GLY A 129 -0.720 -10.229 -8.983 1.00 0.00 C ATOM 2045 C GLY A 129 -0.855 -9.702 -10.400 1.00 0.00 C ATOM 2046 O GLY A 129 0.134 -9.296 -11.013 1.00 0.00 O ATOM 0 H GLY A 129 -2.436 -10.320 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.276 -9.997 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.812 -11.315 -8.991 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.079 -9.700 -10.923 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.333 -9.211 -12.275 1.00 0.00 C ATOM 2052 C GLN A 130 -2.045 -7.714 -12.374 1.00 0.00 C ATOM 2053 O GLN A 130 -1.756 -7.197 -13.452 1.00 0.00 O ATOM 2054 CB GLN A 130 -3.779 -9.493 -12.683 1.00 0.00 C ATOM 2055 CG GLN A 130 -3.983 -10.872 -13.291 1.00 0.00 C ATOM 2056 CD GLN A 130 -4.158 -10.823 -14.797 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -3.206 -10.572 -15.536 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -5.380 -11.067 -15.260 1.00 0.00 N ATOM 0 H GLN A 130 -2.909 -10.031 -10.431 1.00 0.00 H new ATOM 0 HA GLN A 130 -1.665 -9.738 -12.956 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.421 -9.393 -11.808 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -4.099 -8.738 -13.401 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.128 -11.503 -13.048 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -4.860 -11.338 -12.842 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -6.140 -11.271 -14.611 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -5.558 -11.051 -16.264 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.102 -7.033 -11.233 1.00 0.00 N ATOM 2068 CA ILE A 131 -1.825 -5.604 -11.173 1.00 0.00 C ATOM 2069 C ILE A 131 -0.320 -5.393 -11.028 1.00 0.00 C ATOM 2070 O ILE A 131 0.229 -4.378 -11.456 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.570 -4.942 -9.998 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.072 -5.113 -10.168 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.241 -3.458 -9.882 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -4.811 -5.042 -8.860 1.00 0.00 C ATOM 0 H ILE A 131 -2.339 -7.452 -10.334 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.177 -5.138 -12.094 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.240 -5.436 -9.084 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.449 -4.340 -10.837 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.274 -6.073 -10.644 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.787 -3.029 -9.042 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.170 -3.334 -9.721 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.531 -2.948 -10.801 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.879 -5.170 -9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.456 -5.832 -8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.634 -4.072 -8.394 1.00 0.00 H new ATOM 2086 N LEU A 132 0.338 -6.389 -10.430 1.00 0.00 N ATOM 2087 CA LEU A 132 1.779 -6.363 -10.225 1.00 0.00 C ATOM 2088 C LEU A 132 2.515 -6.403 -11.563 1.00 0.00 C ATOM 2089 O LEU A 132 3.445 -5.634 -11.795 1.00 0.00 O ATOM 2090 CB LEU A 132 2.203 -7.561 -9.370 1.00 0.00 C ATOM 2091 CG LEU A 132 2.739 -7.220 -7.979 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.591 -6.966 -7.013 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.630 -8.341 -7.467 1.00 0.00 C ATOM 0 H LEU A 132 -0.116 -7.231 -10.077 1.00 0.00 H new ATOM 0 HA LEU A 132 2.038 -5.437 -9.711 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.347 -8.226 -9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.970 -8.117 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 132 3.335 -6.310 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.991 -6.725 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.989 -6.132 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.970 -7.859 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.004 -8.084 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 132 3.055 -9.265 -7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.470 -8.478 -8.148 1.00 0.00 H new ATOM 2105 N ASP A 133 2.087 -7.309 -12.439 1.00 0.00 N ATOM 2106 CA ASP A 133 2.706 -7.451 -13.753 1.00 0.00 C ATOM 2107 C ASP A 133 2.429 -6.223 -14.610 1.00 0.00 C ATOM 2108 O ASP A 133 3.323 -5.701 -15.276 1.00 0.00 O ATOM 2109 CB ASP A 133 2.189 -8.708 -14.452 1.00 0.00 C ATOM 2110 CG ASP A 133 3.283 -9.444 -15.201 1.00 0.00 C ATOM 2111 OD1 ASP A 133 3.031 -9.879 -16.344 1.00 0.00 O ATOM 2112 OD2 ASP A 133 4.392 -9.583 -14.646 1.00 0.00 O ATOM 0 H ASP A 133 1.316 -7.954 -12.263 1.00 0.00 H new ATOM 0 HA ASP A 133 3.783 -7.544 -13.616 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.746 -9.375 -13.713 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.397 -8.433 -15.149 1.00 0.00 H new ATOM 2117 N SER A 134 1.184 -5.764 -14.578 1.00 0.00 N ATOM 2118 CA SER A 134 0.784 -4.589 -15.341 1.00 0.00 C ATOM 2119 C SER A 134 1.191 -3.306 -14.616 1.00 0.00 C ATOM 2120 O SER A 134 1.010 -2.205 -15.135 1.00 0.00 O ATOM 2121 CB SER A 134 -0.728 -4.598 -15.574 1.00 0.00 C ATOM 2122 OG SER A 134 -1.093 -5.584 -16.524 1.00 0.00 O ATOM 0 H SER A 134 0.434 -6.188 -14.032 1.00 0.00 H new ATOM 0 HA SER A 134 1.294 -4.620 -16.304 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.243 -4.788 -14.632 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.051 -3.617 -15.922 1.00 0.00 H new ATOM 0 HG SER A 134 -2.064 -5.570 -16.653 1.00 0.00 H new ATOM 2128 N PHE A 135 1.741 -3.461 -13.415 1.00 0.00 N ATOM 2129 CA PHE A 135 2.175 -2.327 -12.609 1.00 0.00 C ATOM 2130 C PHE A 135 3.162 -1.450 -13.378 1.00 0.00 C ATOM 2131 O PHE A 135 2.896 -0.274 -13.629 1.00 0.00 O ATOM 2132 CB PHE A 135 2.819 -2.828 -11.316 1.00 0.00 C ATOM 2133 CG PHE A 135 3.389 -1.735 -10.462 1.00 0.00 C ATOM 2134 CD1 PHE A 135 4.693 -1.805 -10.008 1.00 0.00 C ATOM 2135 CD2 PHE A 135 2.617 -0.637 -10.118 1.00 0.00 C ATOM 2136 CE1 PHE A 135 5.222 -0.800 -9.224 1.00 0.00 C ATOM 2137 CE2 PHE A 135 3.141 0.371 -9.334 1.00 0.00 C ATOM 2138 CZ PHE A 135 4.444 0.289 -8.887 1.00 0.00 C ATOM 0 H PHE A 135 1.897 -4.369 -12.977 1.00 0.00 H new ATOM 0 HA PHE A 135 1.300 -1.722 -12.370 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.075 -3.377 -10.739 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.612 -3.533 -11.565 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.305 -2.656 -10.270 1.00 0.00 H new ATOM 0 HD2 PHE A 135 1.597 -0.569 -10.466 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.242 -0.866 -8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 135 2.532 1.223 -9.071 1.00 0.00 H new ATOM 0 HZ PHE A 135 4.855 1.077 -8.273 1.00 0.00 H new