USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 30 THR OG1 : rot -76:sc= -0.169 USER MOD Set 1.2: A 33 GLN :FLIP amide:sc= 0.59 F(o=-1.2,f=0.42) USER MOD Single : A 36 SER OG : rot 180:sc= -1.09 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 41 LYS NZ :NH3+ -142:sc= 1.17 (180deg=0.237) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -130:sc= 0.42 (180deg=-0.454) USER MOD Single : A 49 GLN : amide:sc= 0.242 X(o=0.24,f=-0.072) USER MOD Single : A 51 HIS : no HE2:sc= -1.45 X(o=-1.5,f=-1.9) USER MOD Single : A 53 SER OG : rot -130:sc= 0.152 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.397 K(o=-0.4,f=-1.3) USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= -0.047 (180deg=-0.0563) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -30:sc= 0.202 USER MOD Single : A 74 ASN : amide:sc= -0.47 K(o=-0.47,f=-4!) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0.638 (180deg=0.533) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 77:sc= 0.233 USER MOD Single : A 82 TYR OH : rot 50:sc= 0.313 USER MOD Single : A 83 ASN : amide:sc= 0.741 K(o=0.74,f=-0.0004) USER MOD Single : A 84 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.29) USER MOD Single : A 88 THR OG1 : rot -110:sc= 0.0511 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -6.119 4.157 1.049 1.00 0.00 N ATOM 96 CA ARG A 27 -5.182 4.447 -0.041 1.00 0.00 C ATOM 97 C ARG A 27 -3.916 5.136 0.513 1.00 0.00 C ATOM 98 O ARG A 27 -4.001 6.025 1.374 1.00 0.00 O ATOM 99 CB ARG A 27 -5.852 5.279 -1.183 1.00 0.00 C ATOM 100 CG ARG A 27 -5.993 6.810 -0.972 1.00 0.00 C ATOM 101 CD ARG A 27 -6.870 7.199 0.231 1.00 0.00 C ATOM 102 NE ARG A 27 -8.244 6.675 0.142 1.00 0.00 N ATOM 103 CZ ARG A 27 -9.089 6.552 1.176 1.00 0.00 C ATOM 104 NH1 ARG A 27 -8.712 6.845 2.413 1.00 0.00 N ATOM 105 NH2 ARG A 27 -10.321 6.130 0.958 1.00 0.00 N ATOM 0 HA ARG A 27 -4.882 3.501 -0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.279 5.118 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.848 4.871 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.001 7.241 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.415 7.253 -1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.406 6.829 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.907 8.286 0.309 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.578 6.383 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.763 7.171 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.371 6.744 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.622 5.901 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.972 6.033 1.737 1.00 0.00 H new ATOM 119 N ALA A 28 -2.756 4.667 0.063 1.00 0.00 N ATOM 120 CA ALA A 28 -1.458 5.234 0.458 1.00 0.00 C ATOM 121 C ALA A 28 -1.221 6.537 -0.320 1.00 0.00 C ATOM 122 O ALA A 28 -0.736 7.530 0.231 1.00 0.00 O ATOM 123 CB ALA A 28 -0.341 4.217 0.206 1.00 0.00 C ATOM 0 H ALA A 28 -2.683 3.883 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.459 5.462 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.616 4.647 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.530 3.316 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.313 3.963 -0.854 1.00 0.00 H new ATOM 129 N TRP A 29 -1.571 6.494 -1.618 1.00 0.00 N ATOM 130 CA TRP A 29 -1.526 7.647 -2.540 1.00 0.00 C ATOM 131 C TRP A 29 -2.790 7.617 -3.408 1.00 0.00 C ATOM 132 O TRP A 29 -3.413 6.559 -3.545 1.00 0.00 O ATOM 133 CB TRP A 29 -0.263 7.576 -3.452 1.00 0.00 C ATOM 134 CG TRP A 29 1.034 7.411 -2.687 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.780 8.389 -2.085 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.718 6.174 -2.429 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.877 7.833 -1.472 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.864 6.478 -1.674 1.00 0.00 C ATOM 139 CE3 TRP A 29 1.469 4.843 -2.776 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.746 5.494 -1.245 1.00 0.00 C ATOM 141 CZ3 TRP A 29 2.347 3.871 -2.354 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.470 4.203 -1.590 1.00 0.00 C ATOM 0 H TRP A 29 -1.900 5.639 -2.066 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.477 8.571 -1.964 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.373 6.743 -4.146 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.207 8.485 -4.052 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.541 9.442 -2.091 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.587 8.347 -0.950 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.602 4.582 -3.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.619 5.742 -0.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.166 2.839 -2.616 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.136 3.418 -1.265 1.00 0.00 H new ATOM 153 N THR A 30 -3.155 8.763 -4.002 1.00 0.00 N ATOM 154 CA THR A 30 -4.312 8.852 -4.926 1.00 0.00 C ATOM 155 C THR A 30 -3.845 8.465 -6.337 1.00 0.00 C ATOM 156 O THR A 30 -2.638 8.394 -6.572 1.00 0.00 O ATOM 157 CB THR A 30 -4.919 10.293 -4.927 1.00 0.00 C ATOM 158 OG1 THR A 30 -3.903 11.239 -5.290 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.513 10.674 -3.557 1.00 0.00 C ATOM 0 H THR A 30 -2.668 9.648 -3.863 1.00 0.00 H new ATOM 0 HA THR A 30 -5.093 8.168 -4.593 1.00 0.00 H new ATOM 0 HB THR A 30 -5.731 10.310 -5.654 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.305 11.385 -4.528 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.923 11.683 -3.606 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.306 9.973 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.731 10.636 -2.798 1.00 0.00 H new ATOM 167 N VAL A 31 -4.787 8.252 -7.282 1.00 0.00 N ATOM 168 CA VAL A 31 -4.453 7.767 -8.643 1.00 0.00 C ATOM 169 C VAL A 31 -3.523 8.758 -9.384 1.00 0.00 C ATOM 170 O VAL A 31 -2.586 8.338 -10.071 1.00 0.00 O ATOM 171 CB VAL A 31 -5.736 7.443 -9.504 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.663 8.672 -9.669 1.00 0.00 C ATOM 173 CG2 VAL A 31 -5.350 6.840 -10.883 1.00 0.00 C ATOM 0 H VAL A 31 -5.783 8.407 -7.129 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.915 6.828 -8.512 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.304 6.693 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.530 8.396 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.994 9.012 -8.688 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.118 9.474 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.254 6.627 -11.453 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.734 7.552 -11.432 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.790 5.917 -10.733 1.00 0.00 H new ATOM 183 N GLU A 32 -3.784 10.068 -9.203 1.00 0.00 N ATOM 184 CA GLU A 32 -2.975 11.158 -9.791 1.00 0.00 C ATOM 185 C GLU A 32 -1.532 11.157 -9.230 1.00 0.00 C ATOM 186 O GLU A 32 -0.578 11.464 -9.961 1.00 0.00 O ATOM 187 CB GLU A 32 -3.666 12.530 -9.534 1.00 0.00 C ATOM 188 CG GLU A 32 -3.779 12.918 -8.044 1.00 0.00 C ATOM 189 CD GLU A 32 -4.571 14.211 -7.803 1.00 0.00 C ATOM 190 OE1 GLU A 32 -3.976 15.310 -7.878 1.00 0.00 O ATOM 191 OE2 GLU A 32 -5.793 14.132 -7.548 1.00 0.00 O ATOM 0 H GLU A 32 -4.567 10.403 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.907 10.991 -10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.110 13.307 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.666 12.506 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.257 12.103 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.777 13.033 -7.630 1.00 0.00 H new ATOM 198 N GLN A 33 -1.386 10.811 -7.930 1.00 0.00 N ATOM 199 CA GLN A 33 -0.074 10.659 -7.276 1.00 0.00 C ATOM 200 C GLN A 33 0.663 9.418 -7.813 1.00 0.00 C ATOM 201 O GLN A 33 1.865 9.488 -8.100 1.00 0.00 O ATOM 202 CB GLN A 33 -0.228 10.588 -5.730 1.00 0.00 C ATOM 203 CG GLN A 33 -0.693 11.900 -5.065 1.00 0.00 C ATOM 204 CD GLN A 33 -0.770 11.807 -3.536 1.00 0.00 C ATOM 205 OE1 GLN A 33 -1.935 11.470 -3.001 1.00 0.00 O flip ATOM 206 NE2 GLN A 33 0.213 12.039 -2.839 1.00 0.00 N flip ATOM 0 H GLN A 33 -2.175 10.631 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 33 0.526 11.538 -7.513 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.941 9.801 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.729 10.297 -5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.008 12.702 -5.340 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.674 12.171 -5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.098 12.296 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.145 11.974 -1.823 1.00 0.00 H new ATOM 215 N LEU A 34 -0.080 8.306 -7.982 1.00 0.00 N ATOM 216 CA LEU A 34 0.489 7.007 -8.400 1.00 0.00 C ATOM 217 C LEU A 34 1.091 7.096 -9.798 1.00 0.00 C ATOM 218 O LEU A 34 2.277 6.818 -9.987 1.00 0.00 O ATOM 219 CB LEU A 34 -0.604 5.913 -8.402 1.00 0.00 C ATOM 220 CG LEU A 34 -1.217 5.552 -7.022 1.00 0.00 C ATOM 221 CD1 LEU A 34 -2.433 4.639 -7.204 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.172 4.911 -6.080 1.00 0.00 C ATOM 0 H LEU A 34 -1.089 8.282 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 34 1.272 6.749 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.410 6.236 -9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.181 5.007 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.546 6.477 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.853 4.394 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.185 5.150 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.127 3.722 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.640 4.673 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.214 3.997 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.649 5.610 -5.917 1.00 0.00 H new ATOM 234 N ARG A 35 0.263 7.574 -10.751 1.00 0.00 N ATOM 235 CA ARG A 35 0.592 7.596 -12.187 1.00 0.00 C ATOM 236 C ARG A 35 1.777 8.530 -12.493 1.00 0.00 C ATOM 237 O ARG A 35 2.448 8.366 -13.513 1.00 0.00 O ATOM 238 CB ARG A 35 -0.644 7.996 -13.034 1.00 0.00 C ATOM 239 CG ARG A 35 -1.154 9.441 -12.799 1.00 0.00 C ATOM 240 CD ARG A 35 -2.141 9.913 -13.884 1.00 0.00 C ATOM 241 NE ARG A 35 -1.543 9.862 -15.230 1.00 0.00 N ATOM 242 CZ ARG A 35 -0.587 10.685 -15.706 1.00 0.00 C ATOM 243 NH1 ARG A 35 -0.130 11.705 -14.989 1.00 0.00 N ATOM 244 NH2 ARG A 35 -0.109 10.486 -16.914 1.00 0.00 N ATOM 0 H ARG A 35 -0.659 7.958 -10.541 1.00 0.00 H new ATOM 0 HA ARG A 35 0.890 6.584 -12.461 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.396 7.880 -14.089 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.455 7.300 -12.819 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.640 9.495 -11.825 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.303 10.121 -12.769 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.034 9.288 -13.859 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.459 10.933 -13.667 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.884 9.136 -15.860 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.503 11.880 -14.056 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.594 12.313 -15.371 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.461 9.715 -17.481 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.614 11.102 -17.284 1.00 0.00 H new ATOM 258 N SER A 36 2.015 9.494 -11.587 1.00 0.00 N ATOM 259 CA SER A 36 3.125 10.445 -11.689 1.00 0.00 C ATOM 260 C SER A 36 4.477 9.698 -11.696 1.00 0.00 C ATOM 261 O SER A 36 4.710 8.815 -10.859 1.00 0.00 O ATOM 262 CB SER A 36 3.060 11.447 -10.518 1.00 0.00 C ATOM 263 OG SER A 36 4.011 12.498 -10.658 1.00 0.00 O ATOM 0 H SER A 36 1.436 9.632 -10.759 1.00 0.00 H new ATOM 0 HA SER A 36 3.039 10.994 -12.626 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.058 11.871 -10.460 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.238 10.920 -9.581 1.00 0.00 H new ATOM 0 HG SER A 36 3.935 13.111 -9.897 1.00 0.00 H new ATOM 269 N GLU A 37 5.350 10.068 -12.649 1.00 0.00 N ATOM 270 CA GLU A 37 6.628 9.376 -12.900 1.00 0.00 C ATOM 271 C GLU A 37 7.610 9.541 -11.717 1.00 0.00 C ATOM 272 O GLU A 37 8.536 8.732 -11.565 1.00 0.00 O ATOM 273 CB GLU A 37 7.286 9.869 -14.229 1.00 0.00 C ATOM 274 CG GLU A 37 6.501 9.561 -15.537 1.00 0.00 C ATOM 275 CD GLU A 37 5.206 10.385 -15.711 1.00 0.00 C ATOM 276 OE1 GLU A 37 5.293 11.565 -16.109 1.00 0.00 O ATOM 277 OE2 GLU A 37 4.105 9.878 -15.419 1.00 0.00 O ATOM 0 H GLU A 37 5.189 10.860 -13.271 1.00 0.00 H new ATOM 0 HA GLU A 37 6.402 8.314 -13.001 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.430 10.947 -14.161 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.276 9.420 -14.309 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.153 9.747 -16.390 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.248 8.501 -15.554 1.00 0.00 H new ATOM 284 N GLN A 38 7.396 10.581 -10.883 1.00 0.00 N ATOM 285 CA GLN A 38 8.222 10.828 -9.681 1.00 0.00 C ATOM 286 C GLN A 38 7.973 9.756 -8.604 1.00 0.00 C ATOM 287 O GLN A 38 8.873 9.452 -7.816 1.00 0.00 O ATOM 288 CB GLN A 38 7.965 12.251 -9.116 1.00 0.00 C ATOM 289 CG GLN A 38 6.533 12.508 -8.597 1.00 0.00 C ATOM 290 CD GLN A 38 6.302 13.938 -8.094 1.00 0.00 C ATOM 291 OE1 GLN A 38 6.912 14.891 -8.583 1.00 0.00 O ATOM 292 NE2 GLN A 38 5.430 14.099 -7.111 1.00 0.00 N ATOM 0 H GLN A 38 6.654 11.267 -11.021 1.00 0.00 H new ATOM 0 HA GLN A 38 9.269 10.765 -9.977 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.667 12.433 -8.302 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.187 12.979 -9.896 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.824 12.296 -9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.320 11.810 -7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.940 13.291 -6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.248 15.031 -6.738 1.00 0.00 H new ATOM 301 N LEU A 39 6.750 9.185 -8.577 1.00 0.00 N ATOM 302 CA LEU A 39 6.395 8.112 -7.630 1.00 0.00 C ATOM 303 C LEU A 39 6.814 6.766 -8.257 1.00 0.00 C ATOM 304 O LEU A 39 6.224 6.365 -9.275 1.00 0.00 O ATOM 305 CB LEU A 39 4.866 8.148 -7.297 1.00 0.00 C ATOM 306 CG LEU A 39 4.428 7.523 -5.917 1.00 0.00 C ATOM 307 CD1 LEU A 39 2.986 7.907 -5.568 1.00 0.00 C ATOM 308 CD2 LEU A 39 4.595 5.987 -5.850 1.00 0.00 C ATOM 0 H LEU A 39 5.991 9.452 -9.204 1.00 0.00 H new ATOM 0 HA LEU A 39 6.920 8.250 -6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.537 9.187 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.332 7.627 -8.092 1.00 0.00 H new ATOM 0 HG LEU A 39 5.108 7.947 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.712 7.462 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.905 8.992 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.314 7.541 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.274 5.628 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.987 5.521 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.642 5.728 -6.006 1.00 0.00 H new ATOM 320 N PRO A 40 7.830 6.047 -7.672 1.00 0.00 N ATOM 321 CA PRO A 40 8.309 4.764 -8.218 1.00 0.00 C ATOM 322 C PRO A 40 7.303 3.620 -7.974 1.00 0.00 C ATOM 323 O PRO A 40 6.577 3.598 -6.972 1.00 0.00 O ATOM 324 CB PRO A 40 9.645 4.542 -7.474 1.00 0.00 C ATOM 325 CG PRO A 40 9.438 5.205 -6.149 1.00 0.00 C ATOM 326 CD PRO A 40 8.576 6.419 -6.434 1.00 0.00 C ATOM 0 HA PRO A 40 8.429 4.780 -9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.866 3.481 -7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.481 4.985 -8.015 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.948 4.532 -5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.389 5.495 -5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.898 6.630 -5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.182 7.312 -6.586 1.00 0.00 H new ATOM 334 N LYS A 41 7.301 2.668 -8.905 1.00 0.00 N ATOM 335 CA LYS A 41 6.364 1.533 -8.929 1.00 0.00 C ATOM 336 C LYS A 41 6.614 0.553 -7.769 1.00 0.00 C ATOM 337 O LYS A 41 5.713 -0.195 -7.383 1.00 0.00 O ATOM 338 CB LYS A 41 6.503 0.812 -10.285 1.00 0.00 C ATOM 339 CG LYS A 41 6.184 1.711 -11.503 1.00 0.00 C ATOM 340 CD LYS A 41 6.333 0.978 -12.847 1.00 0.00 C ATOM 341 CE LYS A 41 7.736 0.381 -13.041 1.00 0.00 C ATOM 342 NZ LYS A 41 7.832 -0.432 -14.271 1.00 0.00 N ATOM 0 H LYS A 41 7.962 2.659 -9.682 1.00 0.00 H new ATOM 0 HA LYS A 41 5.350 1.913 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.520 0.432 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.837 -0.051 -10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.165 2.088 -11.412 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.847 2.576 -11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.592 0.181 -12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.121 1.672 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.469 1.187 -13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.989 -0.236 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.430 -1.264 -14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.882 -0.744 -14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.252 0.139 -15.032 1.00 0.00 H new ATOM 356 N LYS A 42 7.833 0.602 -7.213 1.00 0.00 N ATOM 357 CA LYS A 42 8.250 -0.228 -6.078 1.00 0.00 C ATOM 358 C LYS A 42 7.445 0.121 -4.807 1.00 0.00 C ATOM 359 O LYS A 42 7.160 -0.745 -3.973 1.00 0.00 O ATOM 360 CB LYS A 42 9.774 -0.037 -5.836 1.00 0.00 C ATOM 361 CG LYS A 42 10.175 1.398 -5.408 1.00 0.00 C ATOM 362 CD LYS A 42 11.697 1.641 -5.371 1.00 0.00 C ATOM 363 CE LYS A 42 12.360 1.528 -6.756 1.00 0.00 C ATOM 364 NZ LYS A 42 13.794 1.893 -6.729 1.00 0.00 N ATOM 0 H LYS A 42 8.566 1.229 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 42 8.050 -1.274 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.099 -0.738 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.311 -0.295 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.721 2.111 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.761 1.600 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.891 2.632 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.158 0.921 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.255 0.507 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.837 2.175 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.194 1.801 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.896 2.876 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.301 1.259 -6.079 1.00 0.00 H new ATOM 378 N ASP A 43 7.103 1.409 -4.674 1.00 0.00 N ATOM 379 CA ASP A 43 6.319 1.931 -3.544 1.00 0.00 C ATOM 380 C ASP A 43 4.874 1.445 -3.605 1.00 0.00 C ATOM 381 O ASP A 43 4.273 1.118 -2.570 1.00 0.00 O ATOM 382 CB ASP A 43 6.390 3.485 -3.521 1.00 0.00 C ATOM 383 CG ASP A 43 7.648 4.020 -2.821 1.00 0.00 C ATOM 384 OD1 ASP A 43 8.766 3.591 -3.171 1.00 0.00 O ATOM 385 OD2 ASP A 43 7.521 4.847 -1.897 1.00 0.00 O ATOM 0 H ASP A 43 7.364 2.125 -5.352 1.00 0.00 H new ATOM 0 HA ASP A 43 6.749 1.551 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.364 3.859 -4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.507 3.876 -3.016 1.00 0.00 H new ATOM 390 N ILE A 44 4.336 1.395 -4.825 1.00 0.00 N ATOM 391 CA ILE A 44 2.949 0.984 -5.069 1.00 0.00 C ATOM 392 C ILE A 44 2.779 -0.517 -4.767 1.00 0.00 C ATOM 393 O ILE A 44 1.884 -0.903 -4.017 1.00 0.00 O ATOM 394 CB ILE A 44 2.514 1.296 -6.549 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.833 2.786 -6.896 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.012 0.970 -6.782 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.499 3.203 -8.319 1.00 0.00 C ATOM 0 H ILE A 44 4.848 1.638 -5.673 1.00 0.00 H new ATOM 0 HA ILE A 44 2.304 1.556 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 44 3.086 0.654 -7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.284 3.429 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.894 2.964 -6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.746 1.197 -7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.835 -0.087 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.401 1.571 -6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.757 4.253 -8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.068 2.592 -9.020 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.433 3.064 -8.498 1.00 0.00 H new ATOM 409 N ILE A 45 3.669 -1.346 -5.351 1.00 0.00 N ATOM 410 CA ILE A 45 3.685 -2.811 -5.126 1.00 0.00 C ATOM 411 C ILE A 45 3.901 -3.136 -3.631 1.00 0.00 C ATOM 412 O ILE A 45 3.324 -4.101 -3.124 1.00 0.00 O ATOM 413 CB ILE A 45 4.801 -3.505 -5.990 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.567 -3.228 -7.502 1.00 0.00 C ATOM 415 CG2 ILE A 45 4.896 -5.035 -5.722 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.648 -3.758 -8.429 1.00 0.00 C ATOM 0 H ILE A 45 4.395 -1.023 -5.990 1.00 0.00 H new ATOM 0 HA ILE A 45 2.715 -3.201 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 45 5.755 -3.071 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.613 -3.668 -7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.480 -2.152 -7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.681 -5.465 -6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.130 -5.207 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.943 -5.506 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.394 -3.515 -9.461 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.603 -3.300 -8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.723 -4.840 -8.319 1.00 0.00 H new ATOM 428 N LYS A 46 4.730 -2.322 -2.937 1.00 0.00 N ATOM 429 CA LYS A 46 4.933 -2.442 -1.477 1.00 0.00 C ATOM 430 C LYS A 46 3.604 -2.260 -0.717 1.00 0.00 C ATOM 431 O LYS A 46 3.261 -3.078 0.131 1.00 0.00 O ATOM 432 CB LYS A 46 6.014 -1.447 -0.963 1.00 0.00 C ATOM 433 CG LYS A 46 6.013 -1.227 0.579 1.00 0.00 C ATOM 434 CD LYS A 46 7.328 -0.605 1.115 1.00 0.00 C ATOM 435 CE LYS A 46 8.444 -1.646 1.296 1.00 0.00 C ATOM 436 NZ LYS A 46 8.069 -2.671 2.305 1.00 0.00 N ATOM 0 H LYS A 46 5.271 -1.572 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 46 5.299 -3.450 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.996 -1.811 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.866 -0.485 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.178 -0.578 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.844 -2.183 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.667 0.169 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.132 -0.118 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.650 -2.131 0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.363 -1.147 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.840 -2.777 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.203 -2.373 2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.902 -3.581 1.830 1.00 0.00 H new ATOM 450 N PHE A 47 2.855 -1.192 -1.066 1.00 0.00 N ATOM 451 CA PHE A 47 1.514 -0.925 -0.489 1.00 0.00 C ATOM 452 C PHE A 47 0.585 -2.145 -0.677 1.00 0.00 C ATOM 453 O PHE A 47 -0.081 -2.599 0.267 1.00 0.00 O ATOM 454 CB PHE A 47 0.883 0.352 -1.142 1.00 0.00 C ATOM 455 CG PHE A 47 -0.610 0.555 -0.830 1.00 0.00 C ATOM 456 CD1 PHE A 47 -1.050 0.626 0.487 1.00 0.00 C ATOM 457 CD2 PHE A 47 -1.570 0.625 -1.842 1.00 0.00 C ATOM 458 CE1 PHE A 47 -2.385 0.768 0.791 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.914 0.761 -1.535 1.00 0.00 C ATOM 460 CZ PHE A 47 -3.317 0.833 -0.213 1.00 0.00 C ATOM 0 H PHE A 47 3.156 -0.496 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 47 1.630 -0.747 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.435 1.229 -0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.011 0.293 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.329 0.568 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.261 0.573 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.699 0.828 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.647 0.811 -2.327 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.364 0.940 0.028 1.00 0.00 H new ATOM 470 N LEU A 48 0.601 -2.683 -1.894 1.00 0.00 N ATOM 471 CA LEU A 48 -0.277 -3.774 -2.305 1.00 0.00 C ATOM 472 C LEU A 48 0.098 -5.110 -1.628 1.00 0.00 C ATOM 473 O LEU A 48 -0.790 -5.878 -1.277 1.00 0.00 O ATOM 474 CB LEU A 48 -0.250 -3.886 -3.851 1.00 0.00 C ATOM 475 CG LEU A 48 -0.734 -2.605 -4.616 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.588 -2.757 -6.144 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.183 -2.224 -4.224 1.00 0.00 C ATOM 0 H LEU A 48 1.232 -2.369 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.293 -3.550 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.768 -4.116 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.875 -4.728 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.083 -1.786 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.935 -1.848 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.459 -2.928 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.185 -3.603 -6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.486 -1.332 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.855 -3.047 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.230 -2.025 -3.153 1.00 0.00 H new ATOM 489 N GLN A 49 1.406 -5.393 -1.448 1.00 0.00 N ATOM 490 CA GLN A 49 1.863 -6.694 -0.886 1.00 0.00 C ATOM 491 C GLN A 49 1.883 -6.714 0.655 1.00 0.00 C ATOM 492 O GLN A 49 1.566 -7.737 1.274 1.00 0.00 O ATOM 493 CB GLN A 49 3.239 -7.138 -1.477 1.00 0.00 C ATOM 494 CG GLN A 49 4.463 -6.340 -0.998 1.00 0.00 C ATOM 495 CD GLN A 49 5.811 -6.892 -1.490 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.811 -6.814 -0.779 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.868 -7.401 -2.717 1.00 0.00 N ATOM 0 H GLN A 49 2.162 -4.749 -1.679 1.00 0.00 H new ATOM 0 HA GLN A 49 1.117 -7.426 -1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.396 -8.189 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.186 -7.068 -2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.363 -5.308 -1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.467 -6.323 0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.024 -7.454 -3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.756 -7.738 -3.089 1.00 0.00 H new ATOM 506 N GLU A 50 2.247 -5.576 1.262 1.00 0.00 N ATOM 507 CA GLU A 50 2.522 -5.468 2.711 1.00 0.00 C ATOM 508 C GLU A 50 1.237 -5.631 3.546 1.00 0.00 C ATOM 509 O GLU A 50 1.260 -6.243 4.622 1.00 0.00 O ATOM 510 CB GLU A 50 3.205 -4.104 2.995 1.00 0.00 C ATOM 511 CG GLU A 50 3.773 -3.914 4.414 1.00 0.00 C ATOM 512 CD GLU A 50 4.543 -2.590 4.576 1.00 0.00 C ATOM 513 OE1 GLU A 50 5.712 -2.502 4.124 1.00 0.00 O ATOM 514 OE2 GLU A 50 3.986 -1.631 5.150 1.00 0.00 O ATOM 0 H GLU A 50 2.361 -4.695 0.762 1.00 0.00 H new ATOM 0 HA GLU A 50 3.191 -6.276 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.017 -3.971 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.481 -3.312 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.956 -3.944 5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.437 -4.746 4.649 1.00 0.00 H new ATOM 521 N HIS A 51 0.122 -5.084 3.028 1.00 0.00 N ATOM 522 CA HIS A 51 -1.185 -5.136 3.721 1.00 0.00 C ATOM 523 C HIS A 51 -2.372 -5.371 2.760 1.00 0.00 C ATOM 524 O HIS A 51 -3.517 -5.205 3.166 1.00 0.00 O ATOM 525 CB HIS A 51 -1.377 -3.906 4.672 1.00 0.00 C ATOM 526 CG HIS A 51 -1.072 -2.527 4.119 1.00 0.00 C ATOM 527 ND1 HIS A 51 -1.748 -1.400 4.536 1.00 0.00 N ATOM 528 CD2 HIS A 51 -0.093 -2.080 3.292 1.00 0.00 C ATOM 529 CE1 HIS A 51 -1.212 -0.332 3.986 1.00 0.00 C ATOM 530 NE2 HIS A 51 -0.208 -0.720 3.226 1.00 0.00 N ATOM 0 H HIS A 51 0.097 -4.600 2.131 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.175 -6.019 4.360 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.411 -3.907 5.016 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.749 -4.061 5.550 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -2.543 -1.395 5.174 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.640 -2.686 2.781 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.539 0.687 4.132 1.00 0.00 H new ATOM 539 N GLY A 52 -2.092 -5.782 1.509 1.00 0.00 N ATOM 540 CA GLY A 52 -3.108 -6.394 0.627 1.00 0.00 C ATOM 541 C GLY A 52 -2.909 -7.908 0.545 1.00 0.00 C ATOM 542 O GLY A 52 -1.766 -8.376 0.652 1.00 0.00 O ATOM 0 H GLY A 52 -1.168 -5.702 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.106 -6.173 1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.041 -5.959 -0.370 1.00 0.00 H new ATOM 546 N SER A 53 -4.002 -8.675 0.333 1.00 0.00 N ATOM 547 CA SER A 53 -3.987 -10.156 0.443 1.00 0.00 C ATOM 548 C SER A 53 -3.156 -10.843 -0.661 1.00 0.00 C ATOM 549 O SER A 53 -2.937 -10.277 -1.732 1.00 0.00 O ATOM 550 CB SER A 53 -5.426 -10.703 0.410 1.00 0.00 C ATOM 551 OG SER A 53 -6.087 -10.356 -0.798 1.00 0.00 O ATOM 0 H SER A 53 -4.913 -8.291 0.083 1.00 0.00 H new ATOM 0 HA SER A 53 -3.510 -10.387 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.407 -11.788 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.986 -10.309 1.258 1.00 0.00 H new ATOM 0 HG SER A 53 -6.964 -9.970 -0.592 1.00 0.00 H new ATOM 557 N ASP A 54 -2.750 -12.095 -0.374 1.00 0.00 N ATOM 558 CA ASP A 54 -1.897 -12.923 -1.256 1.00 0.00 C ATOM 559 C ASP A 54 -2.627 -13.289 -2.562 1.00 0.00 C ATOM 560 O ASP A 54 -2.021 -13.313 -3.634 1.00 0.00 O ATOM 561 CB ASP A 54 -1.479 -14.206 -0.493 1.00 0.00 C ATOM 562 CG ASP A 54 -0.627 -15.186 -1.322 1.00 0.00 C ATOM 563 OD1 ASP A 54 0.602 -15.000 -1.403 1.00 0.00 O ATOM 564 OD2 ASP A 54 -1.177 -16.165 -1.870 1.00 0.00 O ATOM 0 H ASP A 54 -3.009 -12.569 0.491 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.011 -12.349 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.919 -13.919 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.377 -14.721 -0.153 1.00 0.00 H new ATOM 569 N SER A 55 -3.933 -13.578 -2.440 1.00 0.00 N ATOM 570 CA SER A 55 -4.794 -13.964 -3.578 1.00 0.00 C ATOM 571 C SER A 55 -4.988 -12.781 -4.551 1.00 0.00 C ATOM 572 O SER A 55 -5.136 -12.973 -5.764 1.00 0.00 O ATOM 573 CB SER A 55 -6.155 -14.462 -3.047 1.00 0.00 C ATOM 574 OG SER A 55 -6.923 -15.066 -4.069 1.00 0.00 O ATOM 0 H SER A 55 -4.426 -13.551 -1.548 1.00 0.00 H new ATOM 0 HA SER A 55 -4.309 -14.769 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.992 -15.178 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.709 -13.625 -2.622 1.00 0.00 H new ATOM 0 HG SER A 55 -7.777 -15.371 -3.699 1.00 0.00 H new ATOM 580 N PHE A 56 -4.968 -11.564 -3.989 1.00 0.00 N ATOM 581 CA PHE A 56 -4.938 -10.313 -4.757 1.00 0.00 C ATOM 582 C PHE A 56 -3.608 -10.197 -5.540 1.00 0.00 C ATOM 583 O PHE A 56 -3.610 -9.920 -6.738 1.00 0.00 O ATOM 584 CB PHE A 56 -5.137 -9.109 -3.787 1.00 0.00 C ATOM 585 CG PHE A 56 -4.763 -7.745 -4.363 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.474 -7.195 -5.424 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.691 -7.021 -3.844 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.129 -5.975 -5.947 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.347 -5.800 -4.372 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.064 -5.276 -5.420 1.00 0.00 C ATOM 0 H PHE A 56 -4.972 -11.420 -2.979 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.749 -10.308 -5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.182 -9.081 -3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.543 -9.283 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.310 -7.736 -5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.124 -7.424 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.691 -5.562 -6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.512 -5.251 -3.962 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.793 -4.315 -5.832 1.00 0.00 H new ATOM 600 N LEU A 57 -2.484 -10.427 -4.839 1.00 0.00 N ATOM 601 CA LEU A 57 -1.130 -10.307 -5.428 1.00 0.00 C ATOM 602 C LEU A 57 -0.939 -11.285 -6.589 1.00 0.00 C ATOM 603 O LEU A 57 -0.492 -10.891 -7.664 1.00 0.00 O ATOM 604 CB LEU A 57 -0.054 -10.557 -4.352 1.00 0.00 C ATOM 605 CG LEU A 57 -0.145 -9.651 -3.104 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.975 -9.981 -2.108 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.153 -8.161 -3.503 1.00 0.00 C ATOM 0 H LEU A 57 -2.483 -10.699 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.025 -9.293 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.119 -11.597 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.928 -10.424 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.091 -9.850 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.891 -9.331 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.888 -11.021 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.943 -9.826 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.218 -7.545 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.765 -7.924 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.012 -7.961 -4.144 1.00 0.00 H new ATOM 619 N ALA A 58 -1.369 -12.530 -6.358 1.00 0.00 N ATOM 620 CA ALA A 58 -1.211 -13.681 -7.264 1.00 0.00 C ATOM 621 C ALA A 58 -1.721 -13.418 -8.698 1.00 0.00 C ATOM 622 O ALA A 58 -1.219 -14.035 -9.646 1.00 0.00 O ATOM 623 CB ALA A 58 -1.927 -14.889 -6.656 1.00 0.00 C ATOM 0 H ALA A 58 -1.858 -12.777 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.142 -13.872 -7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.817 -15.748 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.489 -15.121 -5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.985 -14.660 -6.531 1.00 0.00 H new ATOM 629 N GLU A 59 -2.687 -12.488 -8.835 1.00 0.00 N ATOM 630 CA GLU A 59 -3.287 -12.108 -10.135 1.00 0.00 C ATOM 631 C GLU A 59 -2.215 -11.621 -11.143 1.00 0.00 C ATOM 632 O GLU A 59 -2.181 -12.069 -12.296 1.00 0.00 O ATOM 633 CB GLU A 59 -4.343 -11.001 -9.916 1.00 0.00 C ATOM 634 CG GLU A 59 -5.473 -11.372 -8.931 1.00 0.00 C ATOM 635 CD GLU A 59 -6.466 -10.225 -8.688 1.00 0.00 C ATOM 636 OE1 GLU A 59 -6.018 -9.098 -8.397 1.00 0.00 O ATOM 637 OE2 GLU A 59 -7.695 -10.437 -8.815 1.00 0.00 O ATOM 0 H GLU A 59 -3.077 -11.975 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.760 -12.994 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.840 -10.106 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.787 -10.746 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.014 -12.236 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.033 -11.671 -7.979 1.00 0.00 H new ATOM 644 N HIS A 60 -1.345 -10.695 -10.686 1.00 0.00 N ATOM 645 CA HIS A 60 -0.224 -10.157 -11.497 1.00 0.00 C ATOM 646 C HIS A 60 1.141 -10.658 -10.960 1.00 0.00 C ATOM 647 O HIS A 60 2.184 -10.431 -11.589 1.00 0.00 O ATOM 648 CB HIS A 60 -0.269 -8.595 -11.509 1.00 0.00 C ATOM 649 CG HIS A 60 0.807 -7.973 -12.365 1.00 0.00 C ATOM 650 ND1 HIS A 60 2.050 -7.628 -11.870 1.00 0.00 N ATOM 651 CD2 HIS A 60 0.864 -7.747 -13.693 1.00 0.00 C ATOM 652 CE1 HIS A 60 2.819 -7.229 -12.859 1.00 0.00 C ATOM 653 NE2 HIS A 60 2.124 -7.290 -13.969 1.00 0.00 N ATOM 0 H HIS A 60 -1.397 -10.298 -9.748 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.336 -10.519 -12.519 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.244 -8.269 -11.870 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.169 -8.228 -10.488 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.066 -7.898 -14.405 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.846 -6.907 -12.772 1.00 0.00 H new ATOM 0 HE2 HIS A 60 2.469 -7.036 -14.895 1.00 0.00 H new ATOM 662 N LYS A 61 1.109 -11.380 -9.824 1.00 0.00 N ATOM 663 CA LYS A 61 2.299 -11.777 -9.052 1.00 0.00 C ATOM 664 C LYS A 61 3.000 -10.523 -8.484 1.00 0.00 C ATOM 665 O LYS A 61 4.161 -10.258 -8.787 1.00 0.00 O ATOM 666 CB LYS A 61 3.276 -12.675 -9.874 1.00 0.00 C ATOM 667 CG LYS A 61 2.631 -13.950 -10.457 1.00 0.00 C ATOM 668 CD LYS A 61 3.643 -14.834 -11.228 1.00 0.00 C ATOM 669 CE LYS A 61 4.845 -15.266 -10.366 1.00 0.00 C ATOM 670 NZ LYS A 61 4.427 -15.960 -9.120 1.00 0.00 N ATOM 0 H LYS A 61 0.237 -11.710 -9.410 1.00 0.00 H new ATOM 0 HA LYS A 61 1.967 -12.395 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.691 -12.086 -10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.110 -12.964 -9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.190 -14.532 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.818 -13.668 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.132 -15.722 -11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.005 -14.287 -12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.488 -15.926 -10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.438 -14.389 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.270 -16.276 -8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.878 -15.306 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.841 -16.784 -9.362 1.00 0.00 H new ATOM 684 N LEU A 62 2.251 -9.754 -7.664 1.00 0.00 N ATOM 685 CA LEU A 62 2.764 -8.556 -6.943 1.00 0.00 C ATOM 686 C LEU A 62 3.469 -8.964 -5.632 1.00 0.00 C ATOM 687 O LEU A 62 3.949 -8.116 -4.877 1.00 0.00 O ATOM 688 CB LEU A 62 1.594 -7.581 -6.647 1.00 0.00 C ATOM 689 CG LEU A 62 0.846 -7.015 -7.897 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.412 -6.223 -7.480 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.789 -6.152 -8.774 1.00 0.00 C ATOM 0 H LEU A 62 1.266 -9.944 -7.479 1.00 0.00 H new ATOM 0 HA LEU A 62 3.495 -8.054 -7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.869 -8.095 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.982 -6.742 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 62 0.520 -7.862 -8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.913 -5.841 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.091 -6.879 -6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.122 -5.389 -6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.239 -5.773 -9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.166 -5.315 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.625 -6.761 -9.117 1.00 0.00 H new ATOM 703 N LEU A 63 3.488 -10.277 -5.379 1.00 0.00 N ATOM 704 CA LEU A 63 4.172 -10.897 -4.237 1.00 0.00 C ATOM 705 C LEU A 63 5.671 -11.091 -4.538 1.00 0.00 C ATOM 706 O LEU A 63 6.094 -11.125 -5.705 1.00 0.00 O ATOM 707 CB LEU A 63 3.455 -12.243 -3.853 1.00 0.00 C ATOM 708 CG LEU A 63 2.877 -13.116 -5.028 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.985 -13.731 -5.906 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.902 -14.196 -4.504 1.00 0.00 C ATOM 0 H LEU A 63 3.017 -10.956 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 63 4.112 -10.234 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.164 -12.855 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.636 -12.007 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 63 2.310 -12.441 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.532 -14.323 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.586 -12.934 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.621 -14.371 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.522 -14.780 -5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.426 -14.854 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.070 -13.716 -3.989 1.00 0.00 H new ATOM 722 N GLY A 64 6.452 -11.222 -3.461 1.00 0.00 N ATOM 723 CA GLY A 64 7.881 -11.500 -3.551 1.00 0.00 C ATOM 724 C GLY A 64 8.732 -10.250 -3.719 1.00 0.00 C ATOM 725 O GLY A 64 8.387 -9.179 -3.197 1.00 0.00 O ATOM 0 H GLY A 64 6.107 -11.138 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.198 -12.028 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.061 -12.169 -4.393 1.00 0.00 H new ATOM 729 N ASN A 65 9.843 -10.403 -4.461 1.00 0.00 N ATOM 730 CA ASN A 65 10.849 -9.348 -4.672 1.00 0.00 C ATOM 731 C ASN A 65 10.228 -8.186 -5.468 1.00 0.00 C ATOM 732 O ASN A 65 9.915 -8.351 -6.648 1.00 0.00 O ATOM 733 CB ASN A 65 12.072 -9.947 -5.419 1.00 0.00 C ATOM 734 CG ASN A 65 12.741 -11.103 -4.671 1.00 0.00 C ATOM 735 OD1 ASN A 65 12.795 -11.122 -3.443 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.242 -12.086 -5.406 1.00 0.00 N ATOM 0 H ASN A 65 10.070 -11.276 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 65 11.185 -8.958 -3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.752 -10.297 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.807 -9.159 -5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.687 -12.885 -4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.183 -12.043 -6.423 1.00 0.00 H new ATOM 743 N ILE A 66 10.058 -7.035 -4.792 1.00 0.00 N ATOM 744 CA ILE A 66 9.274 -5.883 -5.294 1.00 0.00 C ATOM 745 C ILE A 66 9.769 -5.379 -6.672 1.00 0.00 C ATOM 746 O ILE A 66 8.974 -5.229 -7.605 1.00 0.00 O ATOM 747 CB ILE A 66 9.279 -4.694 -4.258 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.728 -5.159 -2.872 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.459 -3.500 -4.783 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.675 -4.079 -1.792 1.00 0.00 C ATOM 0 H ILE A 66 10.465 -6.873 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 66 8.253 -6.244 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 66 10.312 -4.372 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.723 -5.556 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.347 -5.980 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.479 -2.694 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.889 -3.148 -5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.428 -3.812 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.278 -4.505 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.679 -3.695 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.030 -3.265 -2.123 1.00 0.00 H new ATOM 762 N LYS A 67 11.086 -5.123 -6.779 1.00 0.00 N ATOM 763 CA LYS A 67 11.702 -4.526 -7.991 1.00 0.00 C ATOM 764 C LYS A 67 11.718 -5.548 -9.139 1.00 0.00 C ATOM 765 O LYS A 67 11.615 -5.183 -10.321 1.00 0.00 O ATOM 766 CB LYS A 67 13.148 -3.991 -7.726 1.00 0.00 C ATOM 767 CG LYS A 67 13.318 -3.166 -6.415 1.00 0.00 C ATOM 768 CD LYS A 67 13.697 -4.051 -5.196 1.00 0.00 C ATOM 769 CE LYS A 67 13.690 -3.299 -3.865 1.00 0.00 C ATOM 770 NZ LYS A 67 14.685 -2.201 -3.829 1.00 0.00 N ATOM 0 H LYS A 67 11.755 -5.321 -6.035 1.00 0.00 H new ATOM 0 HA LYS A 67 11.088 -3.670 -8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.832 -4.839 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.449 -3.370 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.089 -2.410 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.390 -2.637 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.000 -4.887 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.688 -4.474 -5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.695 -2.890 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.896 -3.999 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.641 -1.723 -2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.638 -2.592 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.475 -1.517 -4.584 1.00 0.00 H new ATOM 784 N ASN A 68 11.852 -6.828 -8.764 1.00 0.00 N ATOM 785 CA ASN A 68 11.790 -7.969 -9.707 1.00 0.00 C ATOM 786 C ASN A 68 10.396 -8.054 -10.379 1.00 0.00 C ATOM 787 O ASN A 68 10.277 -8.431 -11.547 1.00 0.00 O ATOM 788 CB ASN A 68 12.107 -9.292 -8.955 1.00 0.00 C ATOM 789 CG ASN A 68 12.122 -10.557 -9.827 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.493 -10.519 -11.001 1.00 0.00 O ATOM 791 ND2 ASN A 68 11.706 -11.689 -9.264 1.00 0.00 N ATOM 0 H ASN A 68 12.007 -7.109 -7.796 1.00 0.00 H new ATOM 0 HA ASN A 68 12.534 -7.814 -10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.079 -9.192 -8.472 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.370 -9.426 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.689 -12.552 -9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.404 -11.693 -8.290 1.00 0.00 H new ATOM 798 N VAL A 69 9.349 -7.716 -9.608 1.00 0.00 N ATOM 799 CA VAL A 69 7.980 -7.578 -10.137 1.00 0.00 C ATOM 800 C VAL A 69 7.857 -6.276 -10.964 1.00 0.00 C ATOM 801 O VAL A 69 7.278 -6.274 -12.057 1.00 0.00 O ATOM 802 CB VAL A 69 6.906 -7.572 -8.982 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.467 -7.422 -9.543 1.00 0.00 C ATOM 804 CG2 VAL A 69 7.031 -8.840 -8.095 1.00 0.00 C ATOM 0 H VAL A 69 9.425 -7.532 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 69 7.787 -8.440 -10.776 1.00 0.00 H new ATOM 0 HB VAL A 69 7.105 -6.703 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.753 -7.422 -8.719 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.387 -6.484 -10.093 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.249 -8.254 -10.212 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.278 -8.809 -7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.879 -9.729 -8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.024 -8.874 -7.647 1.00 0.00 H new ATOM 814 N ALA A 70 8.473 -5.190 -10.446 1.00 0.00 N ATOM 815 CA ALA A 70 8.375 -3.819 -11.013 1.00 0.00 C ATOM 816 C ALA A 70 9.109 -3.659 -12.364 1.00 0.00 C ATOM 817 O ALA A 70 9.044 -2.586 -12.970 1.00 0.00 O ATOM 818 CB ALA A 70 8.875 -2.784 -9.983 1.00 0.00 C ATOM 0 H ALA A 70 9.060 -5.238 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 70 7.321 -3.639 -11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.799 -1.783 -10.407 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.265 -2.843 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.915 -2.994 -9.731 1.00 0.00 H new ATOM 824 N LYS A 71 9.774 -4.725 -12.855 1.00 0.00 N ATOM 825 CA LYS A 71 10.396 -4.708 -14.196 1.00 0.00 C ATOM 826 C LYS A 71 9.311 -4.858 -15.288 1.00 0.00 C ATOM 827 O LYS A 71 9.427 -4.285 -16.377 1.00 0.00 O ATOM 828 CB LYS A 71 11.459 -5.832 -14.336 1.00 0.00 C ATOM 829 CG LYS A 71 10.881 -7.265 -14.411 1.00 0.00 C ATOM 830 CD LYS A 71 11.961 -8.352 -14.603 1.00 0.00 C ATOM 831 CE LYS A 71 11.354 -9.758 -14.769 1.00 0.00 C ATOM 832 NZ LYS A 71 12.394 -10.796 -14.981 1.00 0.00 N ATOM 0 H LYS A 71 9.894 -5.602 -12.348 1.00 0.00 H new ATOM 0 HA LYS A 71 10.900 -3.750 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.049 -5.646 -15.234 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.142 -5.775 -13.488 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.325 -7.473 -13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.170 -7.320 -15.236 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.562 -8.113 -15.480 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.633 -8.348 -13.745 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.770 -10.007 -13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.666 -9.757 -15.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.940 -11.726 -15.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.935 -10.574 -15.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.036 -10.816 -14.163 1.00 0.00 H new ATOM 846 N THR A 72 8.252 -5.632 -14.972 1.00 0.00 N ATOM 847 CA THR A 72 7.155 -5.945 -15.902 1.00 0.00 C ATOM 848 C THR A 72 5.831 -5.342 -15.401 1.00 0.00 C ATOM 849 O THR A 72 4.854 -5.263 -16.158 1.00 0.00 O ATOM 850 CB THR A 72 7.017 -7.497 -16.100 1.00 0.00 C ATOM 851 OG1 THR A 72 6.005 -7.790 -17.081 1.00 0.00 O ATOM 852 CG2 THR A 72 6.687 -8.234 -14.785 1.00 0.00 C ATOM 0 H THR A 72 8.136 -6.060 -14.053 1.00 0.00 H new ATOM 0 HA THR A 72 7.391 -5.499 -16.868 1.00 0.00 H new ATOM 0 HB THR A 72 7.986 -7.856 -16.447 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.317 -7.092 -17.060 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.603 -9.303 -14.979 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.482 -8.058 -14.060 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.743 -7.862 -14.386 1.00 0.00 H new ATOM 860 N ALA A 73 5.805 -4.911 -14.129 1.00 0.00 N ATOM 861 CA ALA A 73 4.660 -4.204 -13.553 1.00 0.00 C ATOM 862 C ALA A 73 4.687 -2.757 -14.019 1.00 0.00 C ATOM 863 O ALA A 73 5.409 -1.937 -13.458 1.00 0.00 O ATOM 864 CB ALA A 73 4.665 -4.302 -12.017 1.00 0.00 C ATOM 0 H ALA A 73 6.577 -5.045 -13.476 1.00 0.00 H new ATOM 0 HA ALA A 73 3.736 -4.670 -13.896 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.804 -3.768 -11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.614 -5.349 -11.719 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.581 -3.858 -11.627 1.00 0.00 H new ATOM 870 N ASN A 74 3.958 -2.477 -15.113 1.00 0.00 N ATOM 871 CA ASN A 74 3.820 -1.111 -15.639 1.00 0.00 C ATOM 872 C ASN A 74 2.876 -0.309 -14.732 1.00 0.00 C ATOM 873 O ASN A 74 2.016 -0.891 -14.047 1.00 0.00 O ATOM 874 CB ASN A 74 3.338 -1.100 -17.124 1.00 0.00 C ATOM 875 CG ASN A 74 1.875 -1.514 -17.346 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.324 -2.311 -16.611 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.246 -0.982 -18.385 1.00 0.00 N ATOM 0 H ASN A 74 3.454 -3.182 -15.651 1.00 0.00 H new ATOM 0 HA ASN A 74 4.802 -0.638 -15.636 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.479 -0.097 -17.526 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.978 -1.768 -17.701 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.279 -1.239 -18.582 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.729 -0.316 -18.987 1.00 0.00 H new ATOM 884 N LYS A 75 3.037 1.022 -14.757 1.00 0.00 N ATOM 885 CA LYS A 75 2.312 1.952 -13.875 1.00 0.00 C ATOM 886 C LYS A 75 0.777 1.795 -14.009 1.00 0.00 C ATOM 887 O LYS A 75 0.050 1.841 -13.009 1.00 0.00 O ATOM 888 CB LYS A 75 2.736 3.409 -14.198 1.00 0.00 C ATOM 889 CG LYS A 75 2.156 4.462 -13.237 1.00 0.00 C ATOM 890 CD LYS A 75 2.679 4.297 -11.788 1.00 0.00 C ATOM 891 CE LYS A 75 4.151 4.732 -11.614 1.00 0.00 C ATOM 892 NZ LYS A 75 4.339 6.186 -11.871 1.00 0.00 N ATOM 0 H LYS A 75 3.680 1.489 -15.396 1.00 0.00 H new ATOM 0 HA LYS A 75 2.572 1.714 -12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.824 3.473 -14.175 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.424 3.650 -15.214 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.409 5.458 -13.600 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.068 4.389 -13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.053 4.882 -11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.579 3.253 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.481 4.498 -10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.781 4.159 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.303 6.465 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.196 6.381 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.650 6.729 -11.313 1.00 0.00 H new ATOM 906 N ASP A 76 0.321 1.581 -15.254 1.00 0.00 N ATOM 907 CA ASP A 76 -1.109 1.464 -15.602 1.00 0.00 C ATOM 908 C ASP A 76 -1.801 0.306 -14.855 1.00 0.00 C ATOM 909 O ASP A 76 -2.862 0.486 -14.247 1.00 0.00 O ATOM 910 CB ASP A 76 -1.253 1.262 -17.129 1.00 0.00 C ATOM 911 CG ASP A 76 -2.714 1.169 -17.599 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.359 2.227 -17.780 1.00 0.00 O ATOM 913 OD2 ASP A 76 -3.234 0.041 -17.780 1.00 0.00 O ATOM 0 H ASP A 76 0.940 1.483 -16.058 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.600 2.387 -15.295 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.765 2.089 -17.645 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.728 0.352 -17.419 1.00 0.00 H new ATOM 918 N HIS A 77 -1.177 -0.883 -14.899 1.00 0.00 N ATOM 919 CA HIS A 77 -1.732 -2.113 -14.300 1.00 0.00 C ATOM 920 C HIS A 77 -1.689 -2.037 -12.764 1.00 0.00 C ATOM 921 O HIS A 77 -2.501 -2.670 -12.088 1.00 0.00 O ATOM 922 CB HIS A 77 -0.962 -3.352 -14.813 1.00 0.00 C ATOM 923 CG HIS A 77 -1.665 -4.664 -14.600 1.00 0.00 C ATOM 924 ND1 HIS A 77 -2.340 -5.325 -15.602 1.00 0.00 N ATOM 925 CD2 HIS A 77 -1.793 -5.431 -13.499 1.00 0.00 C ATOM 926 CE1 HIS A 77 -2.853 -6.435 -15.121 1.00 0.00 C ATOM 927 NE2 HIS A 77 -2.537 -6.524 -13.846 1.00 0.00 N ATOM 0 H HIS A 77 -0.273 -1.021 -15.351 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.775 -2.207 -14.602 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.770 -3.227 -15.879 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.008 -3.391 -14.317 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.383 -5.221 -12.522 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.436 -7.154 -15.678 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.804 -7.284 -13.220 1.00 0.00 H new ATOM 936 N LEU A 78 -0.721 -1.279 -12.226 1.00 0.00 N ATOM 937 CA LEU A 78 -0.602 -1.045 -10.772 1.00 0.00 C ATOM 938 C LEU A 78 -1.747 -0.181 -10.235 1.00 0.00 C ATOM 939 O LEU A 78 -2.168 -0.352 -9.095 1.00 0.00 O ATOM 940 CB LEU A 78 0.748 -0.388 -10.435 1.00 0.00 C ATOM 941 CG LEU A 78 1.997 -1.267 -10.699 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.268 -0.502 -10.328 1.00 0.00 C ATOM 943 CD2 LEU A 78 1.906 -2.615 -9.945 1.00 0.00 C ATOM 0 H LEU A 78 -0.002 -0.813 -12.779 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.660 -2.019 -10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.841 0.530 -11.015 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.741 -0.102 -9.383 1.00 0.00 H new ATOM 0 HG LEU A 78 2.037 -1.499 -11.763 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.139 -1.130 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.336 0.404 -10.930 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.237 -0.235 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.797 -3.208 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.834 -2.428 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.023 -3.160 -10.279 1.00 0.00 H new ATOM 955 N VAL A 79 -2.213 0.756 -11.075 1.00 0.00 N ATOM 956 CA VAL A 79 -3.421 1.551 -10.814 1.00 0.00 C ATOM 957 C VAL A 79 -4.660 0.631 -10.824 1.00 0.00 C ATOM 958 O VAL A 79 -5.498 0.700 -9.925 1.00 0.00 O ATOM 959 CB VAL A 79 -3.573 2.710 -11.872 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.946 3.416 -11.760 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.405 3.730 -11.739 1.00 0.00 C ATOM 0 H VAL A 79 -1.759 0.984 -11.959 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.332 2.013 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.525 2.260 -12.864 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.010 4.208 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.743 2.692 -11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.054 3.846 -10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.528 4.522 -12.478 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.412 4.163 -10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.456 3.221 -11.908 1.00 0.00 H new ATOM 971 N THR A 80 -4.728 -0.252 -11.837 1.00 0.00 N ATOM 972 CA THR A 80 -5.809 -1.250 -11.989 1.00 0.00 C ATOM 973 C THR A 80 -5.887 -2.181 -10.759 1.00 0.00 C ATOM 974 O THR A 80 -6.980 -2.490 -10.272 1.00 0.00 O ATOM 975 CB THR A 80 -5.594 -2.089 -13.291 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.450 -1.192 -14.404 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.757 -3.065 -13.569 1.00 0.00 C ATOM 0 H THR A 80 -4.030 -0.295 -12.580 1.00 0.00 H new ATOM 0 HA THR A 80 -6.754 -0.713 -12.066 1.00 0.00 H new ATOM 0 HB THR A 80 -4.695 -2.690 -13.152 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.551 -0.801 -14.395 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.554 -3.621 -14.484 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.855 -3.761 -12.736 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.684 -2.503 -13.683 1.00 0.00 H new ATOM 985 N ALA A 81 -4.714 -2.577 -10.237 1.00 0.00 N ATOM 986 CA ALA A 81 -4.594 -3.429 -9.046 1.00 0.00 C ATOM 987 C ALA A 81 -5.029 -2.661 -7.788 1.00 0.00 C ATOM 988 O ALA A 81 -5.821 -3.159 -6.983 1.00 0.00 O ATOM 989 CB ALA A 81 -3.150 -3.931 -8.903 1.00 0.00 C ATOM 0 H ALA A 81 -3.814 -2.311 -10.636 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.252 -4.290 -9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.070 -4.562 -8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.876 -4.509 -9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.477 -3.079 -8.804 1.00 0.00 H new ATOM 995 N TYR A 82 -4.517 -1.424 -7.678 1.00 0.00 N ATOM 996 CA TYR A 82 -4.797 -0.491 -6.570 1.00 0.00 C ATOM 997 C TYR A 82 -6.312 -0.328 -6.356 1.00 0.00 C ATOM 998 O TYR A 82 -6.808 -0.595 -5.271 1.00 0.00 O ATOM 999 CB TYR A 82 -4.088 0.866 -6.883 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.627 2.119 -6.170 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -4.193 2.478 -4.890 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -5.555 2.963 -6.807 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -4.670 3.620 -4.276 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -6.024 4.099 -6.201 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.585 4.426 -4.941 1.00 0.00 C ATOM 1006 OH TYR A 82 -6.062 5.572 -4.343 1.00 0.00 O ATOM 0 H TYR A 82 -3.881 -1.034 -8.374 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.404 -0.885 -5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.032 0.762 -6.632 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.145 1.038 -7.958 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.476 1.855 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.906 2.710 -7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.333 3.885 -3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.734 4.733 -6.711 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.310 6.105 -4.011 1.00 0.00 H new ATOM 1016 N ASN A 83 -7.035 0.044 -7.423 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.491 0.290 -7.358 1.00 0.00 C ATOM 1018 C ASN A 83 -9.270 -1.003 -7.025 1.00 0.00 C ATOM 1019 O ASN A 83 -10.239 -0.967 -6.256 1.00 0.00 O ATOM 1020 CB ASN A 83 -9.012 0.916 -8.677 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.572 2.373 -8.880 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -9.182 3.291 -8.349 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.539 2.596 -9.674 1.00 0.00 N ATOM 0 H ASN A 83 -6.634 0.183 -8.351 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.663 1.002 -6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.660 0.318 -9.517 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.101 0.869 -8.687 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.233 3.552 -9.857 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.048 1.812 -10.104 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.810 -2.140 -7.591 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.404 -3.479 -7.351 1.00 0.00 C ATOM 1032 C HIS A 84 -9.208 -3.947 -5.894 1.00 0.00 C ATOM 1033 O HIS A 84 -10.009 -4.755 -5.398 1.00 0.00 O ATOM 1034 CB HIS A 84 -8.829 -4.526 -8.344 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.402 -4.444 -9.730 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -8.698 -4.805 -10.855 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -10.631 -4.080 -10.159 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -9.468 -4.665 -11.914 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.645 -4.228 -11.517 1.00 0.00 N ATOM 0 H HIS A 84 -8.014 -2.158 -8.229 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.477 -3.389 -7.522 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.748 -4.399 -8.402 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.011 -5.525 -7.947 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.449 -3.736 -9.543 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.183 -4.873 -12.935 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.440 -4.032 -12.126 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.150 -3.446 -5.218 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.889 -3.763 -3.798 1.00 0.00 C ATOM 1050 C LEU A 85 -9.084 -3.345 -2.923 1.00 0.00 C ATOM 1051 O LEU A 85 -9.623 -4.138 -2.155 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.608 -3.028 -3.305 1.00 0.00 C ATOM 1053 CG LEU A 85 -6.139 -3.359 -1.851 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.904 -4.872 -1.655 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.885 -2.540 -1.460 1.00 0.00 C ATOM 0 H LEU A 85 -7.462 -2.819 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.743 -4.840 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.793 -3.263 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.782 -1.954 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.947 -3.067 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.579 -5.060 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.831 -5.412 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.135 -5.214 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.586 -2.795 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.071 -2.772 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.114 -1.476 -1.515 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.467 -2.081 -3.088 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.571 -1.450 -2.350 1.00 0.00 C ATOM 1069 C PHE A 86 -11.944 -1.910 -2.873 1.00 0.00 C ATOM 1070 O PHE A 86 -12.899 -2.000 -2.096 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.456 0.082 -2.448 1.00 0.00 C ATOM 1072 CG PHE A 86 -9.044 0.589 -2.171 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -8.513 0.608 -0.882 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -8.252 1.038 -3.207 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -7.226 1.063 -0.657 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.982 1.487 -2.978 1.00 0.00 C ATOM 1077 CZ PHE A 86 -6.470 1.507 -1.708 1.00 0.00 C ATOM 0 H PHE A 86 -9.014 -1.451 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.495 -1.758 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.763 0.402 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.147 0.539 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -9.112 0.264 -0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.641 1.035 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.820 1.068 0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.377 1.829 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.469 1.873 -1.536 1.00 0.00 H new ATOM 1087 N GLU A 87 -12.018 -2.190 -4.198 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.283 -2.494 -4.911 1.00 0.00 C ATOM 1089 C GLU A 87 -14.042 -3.673 -4.277 1.00 0.00 C ATOM 1090 O GLU A 87 -15.258 -3.605 -4.064 1.00 0.00 O ATOM 1091 CB GLU A 87 -13.003 -2.793 -6.413 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.268 -3.054 -7.266 1.00 0.00 C ATOM 1093 CD GLU A 87 -13.963 -3.409 -8.729 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -13.747 -2.488 -9.543 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -13.922 -4.613 -9.071 1.00 0.00 O ATOM 0 H GLU A 87 -11.198 -2.211 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.916 -1.610 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.459 -1.951 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.349 -3.663 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.838 -3.866 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.902 -2.168 -7.241 1.00 0.00 H new ATOM 1102 N THR A 88 -13.304 -4.744 -3.970 1.00 0.00 N ATOM 1103 CA THR A 88 -13.842 -5.957 -3.321 1.00 0.00 C ATOM 1104 C THR A 88 -13.281 -6.128 -1.897 1.00 0.00 C ATOM 1105 O THR A 88 -13.602 -7.121 -1.222 1.00 0.00 O ATOM 1106 CB THR A 88 -13.524 -7.207 -4.199 1.00 0.00 C ATOM 1107 OG1 THR A 88 -12.153 -7.162 -4.608 1.00 0.00 O ATOM 1108 CG2 THR A 88 -14.418 -7.273 -5.450 1.00 0.00 C ATOM 0 H THR A 88 -12.304 -4.800 -4.165 1.00 0.00 H new ATOM 0 HA THR A 88 -14.923 -5.851 -3.231 1.00 0.00 H new ATOM 0 HB THR A 88 -13.719 -8.094 -3.597 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.104 -6.983 -5.570 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.163 -8.158 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.464 -7.326 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.261 -6.381 -6.057 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.469 -5.138 -1.448 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.845 -5.105 -0.108 1.00 0.00 C ATOM 1118 C LYS A 89 -11.082 -6.419 0.169 1.00 0.00 C ATOM 1119 O LYS A 89 -11.464 -7.224 1.019 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.891 -4.761 0.997 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.647 -3.432 0.747 1.00 0.00 C ATOM 1122 CD LYS A 89 -14.571 -3.017 1.918 1.00 0.00 C ATOM 1123 CE LYS A 89 -13.791 -2.596 3.180 1.00 0.00 C ATOM 1124 NZ LYS A 89 -14.692 -2.235 4.298 1.00 0.00 N ATOM 0 H LYS A 89 -12.228 -4.328 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.108 -4.302 -0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.615 -5.573 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.384 -4.705 1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.921 -2.639 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.244 -3.528 -0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.206 -2.191 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.231 -3.849 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.138 -3.411 3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.150 -1.747 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.125 -1.959 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.298 -1.440 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.286 -3.053 4.543 1.00 0.00 H new ATOM 1138 N ARG A 90 -10.035 -6.634 -0.635 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.255 -7.883 -0.672 1.00 0.00 C ATOM 1140 C ARG A 90 -8.266 -7.977 0.487 1.00 0.00 C ATOM 1141 O ARG A 90 -8.001 -9.065 0.982 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.519 -7.966 -2.030 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.483 -8.051 -3.226 1.00 0.00 C ATOM 1144 CD ARG A 90 -8.774 -7.974 -4.577 1.00 0.00 C ATOM 1145 NE ARG A 90 -9.697 -8.197 -5.692 1.00 0.00 N ATOM 1146 CZ ARG A 90 -9.380 -8.141 -6.984 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -8.209 -7.674 -7.381 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -10.262 -8.529 -7.879 1.00 0.00 N ATOM 0 H ARG A 90 -9.697 -5.932 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.938 -8.725 -0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.880 -7.091 -2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.867 -8.839 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.041 -8.985 -3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.209 -7.241 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.304 -6.997 -4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.977 -8.717 -4.611 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.666 -8.414 -5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.530 -7.349 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.984 -7.639 -8.375 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.177 -8.868 -7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.032 -8.491 -8.872 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.739 -6.823 0.902 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.789 -6.702 2.034 1.00 0.00 C ATOM 1164 C PHE A 91 -7.285 -7.393 3.333 1.00 0.00 C ATOM 1165 O PHE A 91 -8.483 -7.646 3.486 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.478 -5.196 2.290 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.671 -4.236 2.183 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.858 -4.453 2.884 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -7.597 -3.112 1.367 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.920 -3.586 2.765 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -8.662 -2.248 1.249 1.00 0.00 C ATOM 1172 CZ PHE A 91 -9.822 -2.482 1.949 1.00 0.00 C ATOM 0 H PHE A 91 -7.957 -5.929 0.462 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.878 -7.228 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.047 -5.099 3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.715 -4.877 1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.944 -5.314 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.689 -2.914 0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.832 -3.772 3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.586 -1.384 0.605 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.655 -1.801 1.859 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.331 -7.671 4.249 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.594 -8.295 5.565 1.00 0.00 C ATOM 1184 C LYS A 92 -7.082 -9.763 5.421 1.00 0.00 C ATOM 1185 O LYS A 92 -8.308 -9.999 5.306 1.00 0.00 O ATOM 1186 CB LYS A 92 -7.585 -7.432 6.422 1.00 0.00 C ATOM 1187 CG LYS A 92 -7.109 -6.004 6.801 1.00 0.00 C ATOM 1188 CD LYS A 92 -5.985 -5.966 7.878 1.00 0.00 C ATOM 1189 CE LYS A 92 -4.564 -6.230 7.325 1.00 0.00 C ATOM 1190 NZ LYS A 92 -3.542 -6.305 8.394 1.00 0.00 N ATOM 1191 OXT LYS A 92 -6.242 -10.678 5.450 1.00 0.00 O ATOM 0 H LYS A 92 -5.344 -7.466 4.093 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.646 -8.328 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -8.523 -7.345 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.802 -7.975 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.751 -5.503 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.964 -5.434 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.997 -4.991 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.207 -6.708 8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.565 -7.163 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.297 -5.437 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.609 -6.483 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.519 -5.406 8.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.779 -7.079 9.047 1.00 0.00 H new