USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 796 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 69 ASN : amide:sc= -3.45 K(o=-4.1,f=-5.2!) USER MOD Set 1.2: A 73 TYR OH : rot 94:sc= 0.639 USER MOD Set 1.3: A 90 MET CE :methyl 180:sc= -1.28 (180deg=-1.27) USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 32 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.1!) USER MOD Single : A 12 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.16) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 63:sc= 0.811 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -53:sc= 0.982 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.058 USER MOD Single : A 36 SER OG : rot -107:sc= 1.23 USER MOD Single : A 39 ASN : amide:sc= -0.401! C(o=-0.4!,f=-8.5!) USER MOD Single : A 42 SER OG : rot 150:sc= 0 USER MOD Single : A 44 CYS SG : rot 71:sc= -0.552 USER MOD Single : A 48 HIS : no HD1:sc= -4.09! K(o=-4.1!,f=-2.2) USER MOD Single : A 49 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 57 TYR OH : rot 150:sc= -0.77 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.27! C(o=-3.3!,f=-2.7!) USER MOD Single : A 63 GLN : amide:sc= -11.1! C(o=-11!,f=-15!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.8) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -117:sc= -3.3! (180deg=-7.91!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 27:sc= 0.138 USER MOD Single : A 88 SER OG : rot 180:sc= -0.209 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -103:sc= -0.496 (180deg=-2.9!) USER MOD Single : A 103 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 104 TYR OH : rot 30:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.707 K(o=-0.71,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 12.003 1.275 -9.067 1.00 0.00 N ATOM 116 CA GLN A 12 11.079 0.599 -9.969 1.00 0.00 C ATOM 117 C GLN A 12 10.654 -0.751 -9.401 1.00 0.00 C ATOM 118 O GLN A 12 9.485 -1.128 -9.477 1.00 0.00 O ATOM 119 CB GLN A 12 11.722 0.408 -11.343 1.00 0.00 C ATOM 120 CG GLN A 12 10.812 -0.275 -12.351 1.00 0.00 C ATOM 121 CD GLN A 12 9.856 0.691 -13.023 1.00 0.00 C ATOM 122 OE1 GLN A 12 10.264 1.522 -13.835 1.00 0.00 O ATOM 123 NE2 GLN A 12 8.575 0.586 -12.689 1.00 0.00 N ATOM 0 HA GLN A 12 10.192 1.224 -10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.018 1.381 -11.735 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.632 -0.181 -11.230 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.421 -0.765 -13.111 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.240 -1.055 -11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.281 -0.117 -12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.885 1.209 -13.110 1.00 0.00 H new ATOM 132 N SER A 13 11.612 -1.476 -8.831 1.00 0.00 N ATOM 133 CA SER A 13 11.338 -2.787 -8.254 1.00 0.00 C ATOM 134 C SER A 13 10.029 -2.772 -7.470 1.00 0.00 C ATOM 135 O SER A 13 9.165 -3.627 -7.667 1.00 0.00 O ATOM 136 CB SER A 13 12.488 -3.216 -7.341 1.00 0.00 C ATOM 137 OG SER A 13 12.130 -4.348 -6.568 1.00 0.00 O ATOM 0 H SER A 13 12.584 -1.177 -8.757 1.00 0.00 H new ATOM 0 HA SER A 13 11.245 -3.504 -9.070 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.368 -3.446 -7.942 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.759 -2.392 -6.681 1.00 0.00 H new ATOM 0 HG SER A 13 12.882 -4.603 -5.994 1.00 0.00 H new ATOM 143 N LEU A 14 9.891 -1.795 -6.581 1.00 0.00 N ATOM 144 CA LEU A 14 8.688 -1.668 -5.765 1.00 0.00 C ATOM 145 C LEU A 14 7.475 -1.344 -6.632 1.00 0.00 C ATOM 146 O LEU A 14 6.501 -2.098 -6.663 1.00 0.00 O ATOM 147 CB LEU A 14 8.878 -0.580 -4.707 1.00 0.00 C ATOM 148 CG LEU A 14 7.610 -0.105 -3.996 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.177 -1.116 -2.946 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.832 1.261 -3.365 1.00 0.00 C ATOM 0 H LEU A 14 10.597 -1.079 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 14 8.513 -2.622 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.575 -0.950 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.349 0.281 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 14 6.814 -0.016 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.273 -0.761 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.976 -2.074 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.971 -1.238 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.919 1.583 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.642 1.199 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.094 1.982 -4.140 1.00 0.00 H new ATOM 162 N LEU A 15 7.541 -0.219 -7.335 1.00 0.00 N ATOM 163 CA LEU A 15 6.449 0.205 -8.205 1.00 0.00 C ATOM 164 C LEU A 15 5.834 -0.989 -8.928 1.00 0.00 C ATOM 165 O LEU A 15 4.614 -1.088 -9.059 1.00 0.00 O ATOM 166 CB LEU A 15 6.950 1.230 -9.224 1.00 0.00 C ATOM 167 CG LEU A 15 5.875 2.066 -9.919 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.594 3.336 -9.130 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.298 2.403 -11.341 1.00 0.00 C ATOM 0 H LEU A 15 8.339 0.416 -7.320 1.00 0.00 H new ATOM 0 HA LEU A 15 5.681 0.666 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.639 1.907 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.523 0.704 -9.988 1.00 0.00 H new ATOM 0 HG LEU A 15 4.958 1.479 -9.963 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.826 3.919 -9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.247 3.074 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.507 3.927 -9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.521 2.998 -11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.228 2.971 -11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.448 1.482 -11.904 1.00 0.00 H new ATOM 181 N VAL A 16 6.687 -1.896 -9.394 1.00 0.00 N ATOM 182 CA VAL A 16 6.228 -3.085 -10.101 1.00 0.00 C ATOM 183 C VAL A 16 5.498 -4.037 -9.159 1.00 0.00 C ATOM 184 O VAL A 16 4.346 -4.399 -9.397 1.00 0.00 O ATOM 185 CB VAL A 16 7.401 -3.834 -10.761 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.889 -4.991 -11.605 1.00 0.00 C ATOM 187 CG2 VAL A 16 8.237 -2.879 -11.600 1.00 0.00 C ATOM 0 H VAL A 16 7.700 -1.830 -9.294 1.00 0.00 H new ATOM 0 HA VAL A 16 5.541 -2.746 -10.876 1.00 0.00 H new ATOM 0 HB VAL A 16 8.037 -4.243 -9.976 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.732 -5.508 -12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.337 -5.686 -10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.230 -4.609 -12.385 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.061 -3.424 -12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.615 -2.439 -12.379 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.635 -2.088 -10.964 1.00 0.00 H new ATOM 197 N TRP A 17 6.176 -4.437 -8.090 1.00 0.00 N ATOM 198 CA TRP A 17 5.591 -5.346 -7.111 1.00 0.00 C ATOM 199 C TRP A 17 4.142 -4.974 -6.819 1.00 0.00 C ATOM 200 O TRP A 17 3.255 -5.828 -6.842 1.00 0.00 O ATOM 201 CB TRP A 17 6.406 -5.328 -5.816 1.00 0.00 C ATOM 202 CG TRP A 17 5.781 -6.122 -4.709 1.00 0.00 C ATOM 203 CD1 TRP A 17 5.858 -7.473 -4.525 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.982 -5.613 -3.636 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.155 -7.835 -3.401 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.609 -6.712 -2.837 1.00 0.00 C ATOM 207 CE3 TRP A 17 4.547 -4.337 -3.270 1.00 0.00 C ATOM 208 CZ2 TRP A 17 3.821 -6.571 -1.698 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.765 -4.198 -2.139 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.410 -5.310 -1.363 1.00 0.00 C ATOM 0 H TRP A 17 7.131 -4.147 -7.879 1.00 0.00 H new ATOM 0 HA TRP A 17 5.610 -6.352 -7.530 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.403 -5.721 -6.017 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.530 -4.296 -5.488 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.393 -8.156 -5.168 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.056 -8.785 -3.044 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.817 -3.474 -3.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.544 -7.427 -1.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.422 -3.216 -1.848 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.800 -5.168 -0.483 1.00 0.00 H new ATOM 221 N CYS A 18 3.908 -3.695 -6.545 1.00 0.00 N ATOM 222 CA CYS A 18 2.565 -3.210 -6.249 1.00 0.00 C ATOM 223 C CYS A 18 1.630 -3.437 -7.433 1.00 0.00 C ATOM 224 O CYS A 18 0.525 -3.957 -7.275 1.00 0.00 O ATOM 225 CB CYS A 18 2.604 -1.723 -5.892 1.00 0.00 C ATOM 226 SG CYS A 18 4.064 -1.229 -4.948 1.00 0.00 S ATOM 0 H CYS A 18 4.631 -2.976 -6.522 1.00 0.00 H new ATOM 0 HA CYS A 18 2.183 -3.771 -5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.564 -1.138 -6.811 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.712 -1.475 -5.317 1.00 0.00 H new ATOM 0 HG CYS A 18 5.131 -1.426 -5.664 1.00 0.00 H new ATOM 232 N LYS A 19 2.081 -3.043 -8.619 1.00 0.00 N ATOM 233 CA LYS A 19 1.286 -3.202 -9.831 1.00 0.00 C ATOM 234 C LYS A 19 1.075 -4.679 -10.152 1.00 0.00 C ATOM 235 O LYS A 19 0.108 -5.045 -10.820 1.00 0.00 O ATOM 236 CB LYS A 19 1.971 -2.506 -11.009 1.00 0.00 C ATOM 237 CG LYS A 19 2.167 -1.014 -10.804 1.00 0.00 C ATOM 238 CD LYS A 19 3.303 -0.478 -11.658 1.00 0.00 C ATOM 239 CE LYS A 19 2.809 -0.033 -13.026 1.00 0.00 C ATOM 240 NZ LYS A 19 3.690 1.011 -13.621 1.00 0.00 N ATOM 0 H LYS A 19 2.993 -2.611 -8.767 1.00 0.00 H new ATOM 0 HA LYS A 19 0.313 -2.742 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.942 -2.971 -11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.378 -2.666 -11.909 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.245 -0.488 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.376 -0.815 -9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.777 0.362 -11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.065 -1.249 -11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.764 -0.894 -13.693 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.794 0.355 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.320 1.288 -14.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.713 1.842 -12.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.653 0.632 -13.730 1.00 0.00 H new ATOM 254 N GLU A 20 1.984 -5.521 -9.672 1.00 0.00 N ATOM 255 CA GLU A 20 1.895 -6.957 -9.908 1.00 0.00 C ATOM 256 C GLU A 20 0.769 -7.575 -9.084 1.00 0.00 C ATOM 257 O GLU A 20 -0.170 -8.154 -9.630 1.00 0.00 O ATOM 258 CB GLU A 20 3.223 -7.636 -9.568 1.00 0.00 C ATOM 259 CG GLU A 20 3.499 -8.881 -10.393 1.00 0.00 C ATOM 260 CD GLU A 20 4.950 -9.315 -10.328 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.808 -8.605 -10.892 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.228 -10.365 -9.712 1.00 0.00 O ATOM 0 H GLU A 20 2.790 -5.234 -9.117 1.00 0.00 H new ATOM 0 HA GLU A 20 1.676 -7.113 -10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.034 -6.924 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.225 -7.903 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.865 -9.694 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.227 -8.692 -11.431 1.00 0.00 H new ATOM 269 N VAL A 21 0.872 -7.449 -7.764 1.00 0.00 N ATOM 270 CA VAL A 21 -0.136 -7.994 -6.863 1.00 0.00 C ATOM 271 C VAL A 21 -1.513 -7.413 -7.163 1.00 0.00 C ATOM 272 O VAL A 21 -2.536 -7.971 -6.765 1.00 0.00 O ATOM 273 CB VAL A 21 0.217 -7.715 -5.391 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.675 -8.052 -5.118 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.078 -6.265 -5.038 1.00 0.00 C ATOM 0 H VAL A 21 1.644 -6.974 -7.296 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.156 -9.072 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.403 -8.352 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.906 -7.848 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.850 -9.107 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.315 -7.443 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.177 -6.086 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.514 -5.608 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.138 -6.061 -5.192 1.00 0.00 H new ATOM 285 N THR A 22 -1.533 -6.287 -7.870 1.00 0.00 N ATOM 286 CA THR A 22 -2.785 -5.629 -8.224 1.00 0.00 C ATOM 287 C THR A 22 -3.008 -5.646 -9.731 1.00 0.00 C ATOM 288 O THR A 22 -3.776 -4.845 -10.265 1.00 0.00 O ATOM 289 CB THR A 22 -2.812 -4.170 -7.729 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.726 -3.437 -8.307 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.719 -4.112 -6.211 1.00 0.00 C ATOM 0 H THR A 22 -0.696 -5.812 -8.209 1.00 0.00 H new ATOM 0 HA THR A 22 -3.584 -6.186 -7.735 1.00 0.00 H new ATOM 0 HB THR A 22 -3.757 -3.722 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.884 -3.909 -8.134 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.740 -3.072 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.563 -4.646 -5.774 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.788 -4.576 -5.886 1.00 0.00 H new ATOM 387 N VAL A 28 -6.672 0.336 -10.089 1.00 0.00 N ATOM 388 CA VAL A 28 -5.418 0.284 -9.345 1.00 0.00 C ATOM 389 C VAL A 28 -4.243 0.706 -10.220 1.00 0.00 C ATOM 390 O VAL A 28 -3.584 -0.129 -10.839 1.00 0.00 O ATOM 391 CB VAL A 28 -5.152 -1.128 -8.792 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.776 -1.198 -8.146 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.235 -1.525 -7.801 1.00 0.00 C ATOM 0 HA VAL A 28 -5.515 0.980 -8.511 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.174 -1.834 -9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.606 -2.203 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.013 -0.959 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.722 -0.481 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.031 -2.526 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.247 -0.817 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.205 -1.517 -8.299 1.00 0.00 H new ATOM 403 N LYS A 29 -3.984 2.009 -10.266 1.00 0.00 N ATOM 404 CA LYS A 29 -2.886 2.543 -11.063 1.00 0.00 C ATOM 405 C LYS A 29 -1.850 3.224 -10.174 1.00 0.00 C ATOM 406 O LYS A 29 -2.058 4.346 -9.710 1.00 0.00 O ATOM 407 CB LYS A 29 -3.418 3.537 -12.098 1.00 0.00 C ATOM 408 CG LYS A 29 -3.788 2.895 -13.424 1.00 0.00 C ATOM 409 CD LYS A 29 -3.621 3.867 -14.580 1.00 0.00 C ATOM 410 CE LYS A 29 -3.269 3.142 -15.870 1.00 0.00 C ATOM 411 NZ LYS A 29 -3.677 3.922 -17.072 1.00 0.00 N ATOM 0 H LYS A 29 -4.520 2.714 -9.760 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.406 1.712 -11.579 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.295 4.039 -11.690 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.664 4.304 -12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.163 2.018 -13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.821 2.548 -13.386 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.543 4.432 -14.718 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.839 4.588 -14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.195 2.959 -15.903 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.759 2.168 -15.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.420 3.395 -17.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.706 4.075 -17.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.190 4.841 -17.071 1.00 0.00 H new ATOM 425 N ILE A 30 -0.735 2.540 -9.943 1.00 0.00 N ATOM 426 CA ILE A 30 0.334 3.081 -9.113 1.00 0.00 C ATOM 427 C ILE A 30 1.261 3.979 -9.926 1.00 0.00 C ATOM 428 O ILE A 30 2.466 3.735 -10.008 1.00 0.00 O ATOM 429 CB ILE A 30 1.165 1.959 -8.463 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.283 1.108 -7.546 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.334 2.547 -7.687 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.372 -0.059 -8.250 1.00 0.00 C ATOM 0 H ILE A 30 -0.548 1.610 -10.319 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.143 3.670 -8.329 1.00 0.00 H new ATOM 0 HB ILE A 30 1.563 1.319 -9.250 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.888 0.731 -6.721 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.491 1.740 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.912 1.742 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.972 3.114 -8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.957 3.207 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.981 -0.617 -7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.004 0.311 -9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.396 -0.713 -8.662 1.00 0.00 H new ATOM 444 N THR A 31 0.692 5.020 -10.525 1.00 0.00 N ATOM 445 CA THR A 31 1.467 5.955 -11.331 1.00 0.00 C ATOM 446 C THR A 31 2.366 6.821 -10.456 1.00 0.00 C ATOM 447 O THR A 31 3.414 7.289 -10.899 1.00 0.00 O ATOM 448 CB THR A 31 0.551 6.868 -12.168 1.00 0.00 C ATOM 449 OG1 THR A 31 -0.206 7.725 -11.306 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.394 6.044 -13.029 1.00 0.00 C ATOM 0 H THR A 31 -0.303 5.237 -10.467 1.00 0.00 H new ATOM 0 HA THR A 31 2.084 5.358 -12.002 1.00 0.00 H new ATOM 0 HB THR A 31 1.178 7.473 -12.822 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.784 8.303 -11.846 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.031 6.711 -13.611 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.185 5.414 -13.704 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.014 5.416 -12.390 1.00 0.00 H new ATOM 458 N ASN A 32 1.950 7.030 -9.211 1.00 0.00 N ATOM 459 CA ASN A 32 2.718 7.841 -8.274 1.00 0.00 C ATOM 460 C ASN A 32 2.700 7.223 -6.879 1.00 0.00 C ATOM 461 O ASN A 32 1.963 6.272 -6.619 1.00 0.00 O ATOM 462 CB ASN A 32 2.161 9.264 -8.221 1.00 0.00 C ATOM 463 CG ASN A 32 1.764 9.781 -9.591 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.516 9.652 -10.557 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.577 10.369 -9.680 1.00 0.00 N ATOM 0 H ASN A 32 1.085 6.649 -8.828 1.00 0.00 H new ATOM 0 HA ASN A 32 3.750 7.876 -8.624 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.294 9.287 -7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.909 9.928 -7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.255 10.736 -10.576 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.013 10.454 -8.853 1.00 0.00 H new ATOM 472 N PHE A 33 3.514 7.773 -5.984 1.00 0.00 N ATOM 473 CA PHE A 33 3.592 7.276 -4.615 1.00 0.00 C ATOM 474 C PHE A 33 3.085 8.324 -3.627 1.00 0.00 C ATOM 475 O PHE A 33 3.590 8.436 -2.509 1.00 0.00 O ATOM 476 CB PHE A 33 5.031 6.889 -4.271 1.00 0.00 C ATOM 477 CG PHE A 33 5.429 5.537 -4.792 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.924 4.382 -4.216 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.307 5.421 -5.857 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.289 3.137 -4.693 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.675 4.179 -6.339 1.00 0.00 C ATOM 482 CZ PHE A 33 6.164 3.036 -5.757 1.00 0.00 C ATOM 0 H PHE A 33 4.129 8.563 -6.182 1.00 0.00 H new ATOM 0 HA PHE A 33 2.958 6.393 -4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.708 7.640 -4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.154 6.903 -3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.238 4.455 -3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.709 6.312 -6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.890 2.244 -4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.361 4.103 -7.170 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.448 2.064 -6.133 1.00 0.00 H new ATOM 492 N THR A 34 2.084 9.090 -4.048 1.00 0.00 N ATOM 493 CA THR A 34 1.509 10.129 -3.203 1.00 0.00 C ATOM 494 C THR A 34 -0.012 10.045 -3.185 1.00 0.00 C ATOM 495 O THR A 34 -0.616 9.733 -2.158 1.00 0.00 O ATOM 496 CB THR A 34 1.929 11.534 -3.676 1.00 0.00 C ATOM 497 OG1 THR A 34 1.724 11.656 -5.088 1.00 0.00 O ATOM 498 CG2 THR A 34 3.389 11.803 -3.345 1.00 0.00 C ATOM 0 H THR A 34 1.654 9.010 -4.970 1.00 0.00 H new ATOM 0 HA THR A 34 1.891 9.963 -2.195 1.00 0.00 H new ATOM 0 HB THR A 34 1.314 12.268 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.991 12.552 -5.381 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.662 12.801 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.536 11.738 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.017 11.064 -3.842 1.00 0.00 H new ATOM 506 N THR A 35 -0.630 10.324 -4.329 1.00 0.00 N ATOM 507 CA THR A 35 -2.082 10.281 -4.444 1.00 0.00 C ATOM 508 C THR A 35 -2.576 8.850 -4.628 1.00 0.00 C ATOM 509 O THR A 35 -3.491 8.406 -3.935 1.00 0.00 O ATOM 510 CB THR A 35 -2.578 11.138 -5.624 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.962 10.701 -6.840 1.00 0.00 O ATOM 512 CG2 THR A 35 -2.266 12.609 -5.392 1.00 0.00 C ATOM 0 H THR A 35 -0.147 10.582 -5.189 1.00 0.00 H new ATOM 0 HA THR A 35 -2.485 10.686 -3.516 1.00 0.00 H new ATOM 0 HB THR A 35 -3.659 11.019 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.284 11.250 -7.585 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.625 13.195 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.760 12.946 -4.481 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.189 12.741 -5.291 1.00 0.00 H new ATOM 520 N SER A 36 -1.964 8.133 -5.564 1.00 0.00 N ATOM 521 CA SER A 36 -2.344 6.753 -5.841 1.00 0.00 C ATOM 522 C SER A 36 -2.671 6.010 -4.549 1.00 0.00 C ATOM 523 O SER A 36 -3.462 5.067 -4.546 1.00 0.00 O ATOM 524 CB SER A 36 -1.219 6.031 -6.586 1.00 0.00 C ATOM 525 OG SER A 36 -1.349 6.194 -7.987 1.00 0.00 O ATOM 0 H SER A 36 -1.202 8.485 -6.144 1.00 0.00 H new ATOM 0 HA SER A 36 -3.235 6.767 -6.468 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.254 6.420 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.236 4.970 -6.337 1.00 0.00 H new ATOM 0 HG SER A 36 -1.656 5.354 -8.387 1.00 0.00 H new ATOM 531 N TRP A 37 -2.058 6.443 -3.454 1.00 0.00 N ATOM 532 CA TRP A 37 -2.283 5.820 -2.154 1.00 0.00 C ATOM 533 C TRP A 37 -3.123 6.722 -1.257 1.00 0.00 C ATOM 534 O TRP A 37 -3.827 6.245 -0.366 1.00 0.00 O ATOM 535 CB TRP A 37 -0.948 5.507 -1.477 1.00 0.00 C ATOM 536 CG TRP A 37 0.028 4.814 -2.380 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.894 5.403 -3.255 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.234 3.402 -2.496 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.627 4.442 -3.909 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.242 3.206 -3.460 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.333 2.284 -1.877 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.692 1.939 -3.819 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.115 1.027 -2.235 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.119 0.862 -3.198 1.00 0.00 C ATOM 0 H TRP A 37 -1.401 7.223 -3.440 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.827 4.889 -2.314 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.504 6.436 -1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.130 4.882 -0.603 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.989 6.467 -3.411 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.342 4.620 -4.614 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.107 2.401 -1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.466 1.810 -4.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.316 0.156 -1.764 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.447 -0.134 -3.455 1.00 0.00 H new ATOM 555 N ARG A 38 -3.045 8.027 -1.497 1.00 0.00 N ATOM 556 CA ARG A 38 -3.798 8.995 -0.709 1.00 0.00 C ATOM 557 C ARG A 38 -5.163 8.435 -0.319 1.00 0.00 C ATOM 558 O ARG A 38 -5.555 8.483 0.846 1.00 0.00 O ATOM 559 CB ARG A 38 -3.975 10.296 -1.493 1.00 0.00 C ATOM 560 CG ARG A 38 -4.953 11.267 -0.852 1.00 0.00 C ATOM 561 CD ARG A 38 -4.781 12.675 -1.400 1.00 0.00 C ATOM 562 NE ARG A 38 -5.609 12.907 -2.580 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.915 13.147 -2.527 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.537 13.187 -1.357 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.600 13.349 -3.645 1.00 0.00 N ATOM 0 H ARG A 38 -2.468 8.438 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.235 9.201 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.006 10.784 -1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.319 10.059 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.973 10.928 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.804 11.275 0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.040 13.399 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.734 12.840 -1.654 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.160 12.884 -3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.013 13.033 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.539 13.371 -1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.124 13.320 -4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.602 13.533 -3.603 1.00 0.00 H new ATOM 579 N ASN A 39 -5.882 7.904 -1.302 1.00 0.00 N ATOM 580 CA ASN A 39 -7.203 7.336 -1.062 1.00 0.00 C ATOM 581 C ASN A 39 -7.109 6.089 -0.187 1.00 0.00 C ATOM 582 O ASN A 39 -7.860 5.935 0.775 1.00 0.00 O ATOM 583 CB ASN A 39 -7.882 6.990 -2.389 1.00 0.00 C ATOM 584 CG ASN A 39 -6.891 6.539 -3.445 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.750 6.195 -3.135 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.323 6.540 -4.701 1.00 0.00 N ATOM 0 H ASN A 39 -5.572 7.855 -2.273 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.801 8.082 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.616 6.202 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.426 7.861 -2.754 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.701 6.248 -5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.277 6.833 -4.912 1.00 0.00 H new ATOM 593 N GLY A 40 -6.178 5.203 -0.528 1.00 0.00 N ATOM 594 CA GLY A 40 -6.001 3.982 0.237 1.00 0.00 C ATOM 595 C GLY A 40 -6.470 2.753 -0.517 1.00 0.00 C ATOM 596 O GLY A 40 -6.900 1.771 0.089 1.00 0.00 O ATOM 0 H GLY A 40 -5.544 5.309 -1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.948 3.867 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.551 4.061 1.175 1.00 0.00 H new ATOM 600 N LEU A 41 -6.388 2.807 -1.841 1.00 0.00 N ATOM 601 CA LEU A 41 -6.808 1.689 -2.680 1.00 0.00 C ATOM 602 C LEU A 41 -5.721 0.622 -2.749 1.00 0.00 C ATOM 603 O LEU A 41 -5.882 -0.478 -2.219 1.00 0.00 O ATOM 604 CB LEU A 41 -7.146 2.182 -4.088 1.00 0.00 C ATOM 605 CG LEU A 41 -8.340 3.130 -4.199 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.421 3.726 -5.596 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.632 2.405 -3.851 1.00 0.00 C ATOM 0 H LEU A 41 -6.035 3.612 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.698 1.245 -2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.269 2.685 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.337 1.314 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.200 3.943 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.277 4.398 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.508 4.282 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.536 2.926 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.471 3.096 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.778 1.571 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.574 2.028 -2.830 1.00 0.00 H new ATOM 619 N SER A 42 -4.614 0.954 -3.405 1.00 0.00 N ATOM 620 CA SER A 42 -3.500 0.023 -3.545 1.00 0.00 C ATOM 621 C SER A 42 -3.217 -0.689 -2.226 1.00 0.00 C ATOM 622 O SER A 42 -2.890 -1.875 -2.205 1.00 0.00 O ATOM 623 CB SER A 42 -2.247 0.762 -4.018 1.00 0.00 C ATOM 624 OG SER A 42 -2.429 1.296 -5.318 1.00 0.00 O ATOM 0 H SER A 42 -4.464 1.861 -3.848 1.00 0.00 H new ATOM 0 HA SER A 42 -3.775 -0.725 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.011 1.566 -3.321 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.397 0.080 -4.018 1.00 0.00 H new ATOM 0 HG SER A 42 -1.892 2.110 -5.416 1.00 0.00 H new ATOM 630 N PHE A 43 -3.346 0.046 -1.126 1.00 0.00 N ATOM 631 CA PHE A 43 -3.103 -0.513 0.199 1.00 0.00 C ATOM 632 C PHE A 43 -4.037 -1.689 0.473 1.00 0.00 C ATOM 633 O PHE A 43 -3.589 -2.788 0.801 1.00 0.00 O ATOM 634 CB PHE A 43 -3.290 0.562 1.272 1.00 0.00 C ATOM 635 CG PHE A 43 -2.084 1.436 1.461 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.836 0.878 1.685 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.197 2.816 1.415 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.276 1.680 1.860 1.00 0.00 C ATOM 639 CE2 PHE A 43 -1.089 3.623 1.589 1.00 0.00 C ATOM 640 CZ PHE A 43 0.149 3.054 1.811 1.00 0.00 C ATOM 0 H PHE A 43 -3.617 1.029 -1.126 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.075 -0.873 0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.143 1.186 1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.532 0.080 2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.731 -0.196 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.163 3.267 1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.243 1.232 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.191 4.697 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.017 3.683 1.946 1.00 0.00 H new ATOM 650 N CYS A 44 -5.336 -1.448 0.336 1.00 0.00 N ATOM 651 CA CYS A 44 -6.335 -2.485 0.570 1.00 0.00 C ATOM 652 C CYS A 44 -6.231 -3.587 -0.480 1.00 0.00 C ATOM 653 O CYS A 44 -6.437 -4.763 -0.183 1.00 0.00 O ATOM 654 CB CYS A 44 -7.740 -1.882 0.557 1.00 0.00 C ATOM 655 SG CYS A 44 -8.174 -0.988 2.067 1.00 0.00 S ATOM 0 H CYS A 44 -5.722 -0.544 0.064 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.145 -2.923 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.824 -1.203 -0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.465 -2.681 0.399 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.490 0.116 2.130 1.00 0.00 H new ATOM 661 N ALA A 45 -5.912 -3.196 -1.710 1.00 0.00 N ATOM 662 CA ALA A 45 -5.780 -4.150 -2.804 1.00 0.00 C ATOM 663 C ALA A 45 -4.658 -5.146 -2.533 1.00 0.00 C ATOM 664 O ALA A 45 -4.845 -6.356 -2.663 1.00 0.00 O ATOM 665 CB ALA A 45 -5.533 -3.418 -4.115 1.00 0.00 C ATOM 0 H ALA A 45 -5.740 -2.226 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.714 -4.707 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.436 -4.142 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.370 -2.752 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.615 -2.835 -4.039 1.00 0.00 H new ATOM 671 N ILE A 46 -3.493 -4.629 -2.156 1.00 0.00 N ATOM 672 CA ILE A 46 -2.342 -5.474 -1.866 1.00 0.00 C ATOM 673 C ILE A 46 -2.675 -6.511 -0.798 1.00 0.00 C ATOM 674 O ILE A 46 -2.496 -7.712 -1.006 1.00 0.00 O ATOM 675 CB ILE A 46 -1.135 -4.640 -1.396 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.585 -3.803 -2.553 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.053 -5.546 -0.829 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.323 -2.678 -2.107 1.00 0.00 C ATOM 0 H ILE A 46 -3.322 -3.630 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.083 -5.983 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.464 -3.964 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.036 -4.454 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.419 -3.384 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.793 -4.942 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.452 -6.102 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.277 -6.245 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.675 -2.127 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.228 -2.004 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.177 -3.091 -1.569 1.00 0.00 H new ATOM 690 N LEU A 47 -3.162 -6.039 0.344 1.00 0.00 N ATOM 691 CA LEU A 47 -3.523 -6.925 1.446 1.00 0.00 C ATOM 692 C LEU A 47 -4.639 -7.879 1.033 1.00 0.00 C ATOM 693 O LEU A 47 -4.785 -8.963 1.600 1.00 0.00 O ATOM 694 CB LEU A 47 -3.960 -6.107 2.662 1.00 0.00 C ATOM 695 CG LEU A 47 -4.271 -6.903 3.930 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.010 -7.561 4.469 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.897 -6.003 4.985 1.00 0.00 C ATOM 0 H LEU A 47 -3.316 -5.048 0.532 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.645 -7.514 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.174 -5.388 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.847 -5.534 2.390 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.986 -7.686 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.250 -8.123 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.603 -8.238 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.272 -6.794 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.112 -6.587 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.205 -5.198 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.823 -5.579 4.598 1.00 0.00 H new ATOM 709 N HIS A 48 -5.424 -7.471 0.041 1.00 0.00 N ATOM 710 CA HIS A 48 -6.526 -8.291 -0.450 1.00 0.00 C ATOM 711 C HIS A 48 -6.017 -9.376 -1.394 1.00 0.00 C ATOM 712 O HIS A 48 -6.595 -10.460 -1.479 1.00 0.00 O ATOM 713 CB HIS A 48 -7.559 -7.420 -1.165 1.00 0.00 C ATOM 714 CG HIS A 48 -8.822 -8.148 -1.509 1.00 0.00 C ATOM 715 ND1 HIS A 48 -8.957 -8.930 -2.636 1.00 0.00 N ATOM 716 CD2 HIS A 48 -10.010 -8.211 -0.864 1.00 0.00 C ATOM 717 CE1 HIS A 48 -10.175 -9.441 -2.671 1.00 0.00 C ATOM 718 NE2 HIS A 48 -10.834 -9.021 -1.607 1.00 0.00 N ATOM 0 H HIS A 48 -5.317 -6.577 -0.439 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.998 -8.772 0.407 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.802 -6.566 -0.532 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.117 -7.024 -2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.263 -7.717 0.062 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.565 -10.092 -3.440 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.798 -9.259 -1.374 1.00 0.00 H new ATOM 727 N HIS A 49 -4.932 -9.077 -2.101 1.00 0.00 N ATOM 728 CA HIS A 49 -4.345 -10.027 -3.039 1.00 0.00 C ATOM 729 C HIS A 49 -4.031 -11.351 -2.347 1.00 0.00 C ATOM 730 O HIS A 49 -4.585 -12.393 -2.699 1.00 0.00 O ATOM 731 CB HIS A 49 -3.072 -9.447 -3.656 1.00 0.00 C ATOM 732 CG HIS A 49 -2.569 -10.224 -4.834 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.374 -10.595 -5.890 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.334 -10.699 -5.119 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.656 -11.266 -6.773 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.415 -11.343 -6.329 1.00 0.00 N ATOM 0 H HIS A 49 -4.442 -8.185 -2.042 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.071 -10.214 -3.830 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.263 -8.419 -3.964 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.293 -9.412 -2.895 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.450 -10.592 -4.508 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.022 -11.681 -7.700 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.642 -11.806 -6.807 1.00 0.00 H new ATOM 745 N PHE A 50 -3.140 -11.302 -1.363 1.00 0.00 N ATOM 746 CA PHE A 50 -2.752 -12.497 -0.623 1.00 0.00 C ATOM 747 C PHE A 50 -3.955 -13.111 0.087 1.00 0.00 C ATOM 748 O PHE A 50 -4.228 -14.304 -0.050 1.00 0.00 O ATOM 749 CB PHE A 50 -1.662 -12.160 0.396 1.00 0.00 C ATOM 750 CG PHE A 50 -0.489 -11.434 -0.199 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.490 -10.051 -0.294 1.00 0.00 C ATOM 752 CD2 PHE A 50 0.613 -12.133 -0.662 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.588 -9.381 -0.842 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.694 -11.468 -1.211 1.00 0.00 C ATOM 755 CZ PHE A 50 1.681 -10.090 -1.300 1.00 0.00 C ATOM 0 H PHE A 50 -2.673 -10.448 -1.059 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.362 -13.224 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.093 -11.549 1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.311 -13.082 0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.342 -9.491 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.628 -13.211 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.575 -8.303 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.547 -12.025 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.524 -9.568 -1.727 1.00 0.00 H new ATOM 765 N ARG A 51 -4.670 -12.289 0.848 1.00 0.00 N ATOM 766 CA ARG A 51 -5.842 -12.751 1.581 1.00 0.00 C ATOM 767 C ARG A 51 -7.040 -11.843 1.318 1.00 0.00 C ATOM 768 O ARG A 51 -7.240 -10.828 1.986 1.00 0.00 O ATOM 769 CB ARG A 51 -5.545 -12.799 3.081 1.00 0.00 C ATOM 770 CG ARG A 51 -6.329 -13.869 3.823 1.00 0.00 C ATOM 771 CD ARG A 51 -5.738 -15.252 3.594 1.00 0.00 C ATOM 772 NE ARG A 51 -4.510 -15.456 4.357 1.00 0.00 N ATOM 773 CZ ARG A 51 -3.764 -16.552 4.269 1.00 0.00 C ATOM 774 NH1 ARG A 51 -4.120 -17.537 3.457 1.00 0.00 N ATOM 775 NH2 ARG A 51 -2.659 -16.663 4.996 1.00 0.00 N ATOM 0 H ARG A 51 -4.458 -11.299 0.973 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.085 -13.755 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.479 -12.975 3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.770 -11.826 3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.332 -13.645 4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.367 -13.856 3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.469 -16.010 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.532 -15.387 2.532 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.208 -14.717 4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.969 -17.455 2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.545 -18.377 3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.382 -15.907 5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.086 -17.504 4.928 1.00 0.00 H new ATOM 789 N PRO A 52 -7.858 -12.216 0.322 1.00 0.00 N ATOM 790 CA PRO A 52 -9.050 -11.450 -0.052 1.00 0.00 C ATOM 791 C PRO A 52 -10.145 -11.527 1.007 1.00 0.00 C ATOM 792 O PRO A 52 -11.235 -10.985 0.827 1.00 0.00 O ATOM 793 CB PRO A 52 -9.511 -12.122 -1.348 1.00 0.00 C ATOM 794 CG PRO A 52 -8.982 -13.512 -1.263 1.00 0.00 C ATOM 795 CD PRO A 52 -7.681 -13.415 -0.515 1.00 0.00 C ATOM 0 HA PRO A 52 -8.834 -10.387 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.598 -12.116 -1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.121 -11.603 -2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.683 -14.165 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.830 -13.933 -2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.498 -14.303 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.834 -13.310 -1.193 1.00 0.00 H new ATOM 803 N ASP A 53 -9.847 -12.204 2.110 1.00 0.00 N ATOM 804 CA ASP A 53 -10.806 -12.351 3.199 1.00 0.00 C ATOM 805 C ASP A 53 -10.335 -11.603 4.443 1.00 0.00 C ATOM 806 O ASP A 53 -10.659 -11.983 5.569 1.00 0.00 O ATOM 807 CB ASP A 53 -11.014 -13.830 3.527 1.00 0.00 C ATOM 808 CG ASP A 53 -12.337 -14.088 4.222 1.00 0.00 C ATOM 809 OD1 ASP A 53 -12.689 -13.313 5.135 1.00 0.00 O ATOM 810 OD2 ASP A 53 -13.021 -15.065 3.852 1.00 0.00 O ATOM 0 H ASP A 53 -8.949 -12.660 2.274 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.754 -11.921 2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.970 -14.413 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.199 -14.176 4.163 1.00 0.00 H new ATOM 815 N LEU A 54 -9.568 -10.539 4.232 1.00 0.00 N ATOM 816 CA LEU A 54 -9.051 -9.738 5.335 1.00 0.00 C ATOM 817 C LEU A 54 -9.651 -8.336 5.318 1.00 0.00 C ATOM 818 O LEU A 54 -9.884 -7.737 6.369 1.00 0.00 O ATOM 819 CB LEU A 54 -7.525 -9.653 5.259 1.00 0.00 C ATOM 820 CG LEU A 54 -6.754 -10.758 5.980 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.262 -10.630 5.713 1.00 0.00 C ATOM 822 CD2 LEU A 54 -7.036 -10.716 7.475 1.00 0.00 C ATOM 0 H LEU A 54 -9.291 -10.211 3.307 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.336 -10.224 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.233 -9.660 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.214 -8.693 5.670 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.090 -11.720 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.729 -11.425 6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.076 -10.710 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.910 -9.662 6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.479 -11.510 7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.729 -9.750 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.103 -10.858 7.648 1.00 0.00 H new ATOM 834 N ILE A 55 -9.902 -7.820 4.120 1.00 0.00 N ATOM 835 CA ILE A 55 -10.478 -6.490 3.967 1.00 0.00 C ATOM 836 C ILE A 55 -11.770 -6.541 3.158 1.00 0.00 C ATOM 837 O ILE A 55 -12.237 -7.616 2.782 1.00 0.00 O ATOM 838 CB ILE A 55 -9.494 -5.525 3.280 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.051 -5.947 3.564 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.737 -4.098 3.749 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.486 -6.900 2.534 1.00 0.00 C ATOM 0 H ILE A 55 -9.716 -8.303 3.241 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.693 -6.122 4.970 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.659 -5.565 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.423 -5.057 3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.005 -6.418 4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.034 -3.428 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.756 -3.802 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.595 -4.041 4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.460 -7.156 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.091 -7.806 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.499 -6.425 1.553 1.00 0.00 H new ATOM 853 N ASP A 56 -12.342 -5.371 2.894 1.00 0.00 N ATOM 854 CA ASP A 56 -13.580 -5.281 2.127 1.00 0.00 C ATOM 855 C ASP A 56 -13.336 -4.609 0.780 1.00 0.00 C ATOM 856 O ASP A 56 -14.228 -3.967 0.225 1.00 0.00 O ATOM 857 CB ASP A 56 -14.637 -4.507 2.914 1.00 0.00 C ATOM 858 CG ASP A 56 -15.245 -5.330 4.033 1.00 0.00 C ATOM 859 OD1 ASP A 56 -14.607 -5.442 5.100 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.358 -5.863 3.841 1.00 0.00 O ATOM 0 H ASP A 56 -11.969 -4.472 3.199 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.942 -6.293 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.187 -3.607 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.426 -4.183 2.235 1.00 0.00 H new ATOM 865 N TYR A 57 -12.123 -4.759 0.260 1.00 0.00 N ATOM 866 CA TYR A 57 -11.761 -4.163 -1.021 1.00 0.00 C ATOM 867 C TYR A 57 -12.721 -4.608 -2.119 1.00 0.00 C ATOM 868 O TYR A 57 -12.811 -3.980 -3.175 1.00 0.00 O ATOM 869 CB TYR A 57 -10.328 -4.543 -1.396 1.00 0.00 C ATOM 870 CG TYR A 57 -9.829 -3.860 -2.650 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.243 -4.283 -3.907 1.00 0.00 C ATOM 872 CD2 TYR A 57 -8.945 -2.791 -2.577 1.00 0.00 C ATOM 873 CE1 TYR A 57 -9.790 -3.663 -5.055 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.487 -2.163 -3.720 1.00 0.00 C ATOM 875 CZ TYR A 57 -8.912 -2.603 -4.956 1.00 0.00 C ATOM 876 OH TYR A 57 -8.459 -1.982 -6.097 1.00 0.00 O ATOM 0 H TYR A 57 -11.374 -5.288 0.706 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.829 -3.080 -0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.666 -4.292 -0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.271 -5.623 -1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.931 -5.111 -3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.610 -2.445 -1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.121 -4.006 -6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.800 -1.333 -3.646 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.273 -1.039 -5.904 1.00 0.00 H new ATOM 886 N LYS A 58 -13.440 -5.696 -1.864 1.00 0.00 N ATOM 887 CA LYS A 58 -14.396 -6.226 -2.828 1.00 0.00 C ATOM 888 C LYS A 58 -15.590 -5.289 -2.982 1.00 0.00 C ATOM 889 O LYS A 58 -16.299 -5.333 -3.987 1.00 0.00 O ATOM 890 CB LYS A 58 -14.876 -7.612 -2.392 1.00 0.00 C ATOM 891 CG LYS A 58 -15.738 -7.592 -1.141 1.00 0.00 C ATOM 892 CD LYS A 58 -16.103 -8.997 -0.693 1.00 0.00 C ATOM 893 CE LYS A 58 -17.180 -8.977 0.381 1.00 0.00 C ATOM 894 NZ LYS A 58 -17.518 -10.349 0.853 1.00 0.00 N ATOM 0 H LYS A 58 -13.378 -6.228 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.894 -6.308 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.443 -8.064 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.009 -8.249 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.206 -7.080 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.647 -7.023 -1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.452 -9.574 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.215 -9.500 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.841 -8.376 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.076 -8.497 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.255 -10.293 1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.866 -10.915 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.669 -10.798 1.252 1.00 0.00 H new ATOM 908 N SER A 59 -15.804 -4.441 -1.981 1.00 0.00 N ATOM 909 CA SER A 59 -16.913 -3.495 -2.005 1.00 0.00 C ATOM 910 C SER A 59 -16.442 -2.096 -1.616 1.00 0.00 C ATOM 911 O SER A 59 -17.231 -1.267 -1.160 1.00 0.00 O ATOM 912 CB SER A 59 -18.023 -3.953 -1.058 1.00 0.00 C ATOM 913 OG SER A 59 -18.924 -4.829 -1.713 1.00 0.00 O ATOM 0 H SER A 59 -15.224 -4.390 -1.144 1.00 0.00 H new ATOM 0 HA SER A 59 -17.305 -3.459 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.585 -4.455 -0.195 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.564 -3.085 -0.681 1.00 0.00 H new ATOM 0 HG SER A 59 -19.623 -5.109 -1.085 1.00 0.00 H new ATOM 919 N LEU A 60 -15.152 -1.841 -1.800 1.00 0.00 N ATOM 920 CA LEU A 60 -14.573 -0.543 -1.469 1.00 0.00 C ATOM 921 C LEU A 60 -14.708 0.427 -2.639 1.00 0.00 C ATOM 922 O LEU A 60 -15.327 0.109 -3.653 1.00 0.00 O ATOM 923 CB LEU A 60 -13.100 -0.701 -1.090 1.00 0.00 C ATOM 924 CG LEU A 60 -12.819 -1.088 0.363 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.350 -0.877 0.697 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.703 -0.288 1.308 1.00 0.00 C ATOM 0 H LEU A 60 -14.486 -2.516 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.119 -0.136 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.658 -1.457 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.588 0.238 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.051 -2.146 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.169 -1.157 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.736 -1.494 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.092 0.172 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.490 -0.576 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.503 0.776 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.751 -0.490 1.084 1.00 0.00 H new ATOM 938 N ASN A 61 -14.122 1.610 -2.489 1.00 0.00 N ATOM 939 CA ASN A 61 -14.175 2.627 -3.534 1.00 0.00 C ATOM 940 C ASN A 61 -13.259 3.800 -3.199 1.00 0.00 C ATOM 941 O ASN A 61 -12.879 4.014 -2.047 1.00 0.00 O ATOM 942 CB ASN A 61 -15.610 3.122 -3.720 1.00 0.00 C ATOM 943 CG ASN A 61 -16.406 2.247 -4.669 1.00 0.00 C ATOM 944 OD1 ASN A 61 -17.529 1.844 -4.365 1.00 0.00 O ATOM 945 ND2 ASN A 61 -15.826 1.949 -5.825 1.00 0.00 N ATOM 0 H ASN A 61 -13.605 1.889 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.830 2.175 -4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.110 3.151 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.593 4.143 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.313 1.364 -6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.894 2.305 -6.035 1.00 0.00 H new ATOM 952 N PRO A 62 -12.895 4.580 -4.227 1.00 0.00 N ATOM 953 CA PRO A 62 -12.021 5.745 -4.067 1.00 0.00 C ATOM 954 C PRO A 62 -12.705 6.884 -3.318 1.00 0.00 C ATOM 955 O PRO A 62 -12.132 7.960 -3.150 1.00 0.00 O ATOM 956 CB PRO A 62 -11.715 6.161 -5.508 1.00 0.00 C ATOM 957 CG PRO A 62 -12.870 5.654 -6.301 1.00 0.00 C ATOM 958 CD PRO A 62 -13.310 4.384 -5.627 1.00 0.00 C ATOM 0 HA PRO A 62 -11.133 5.510 -3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.619 7.243 -5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.776 5.728 -5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.679 6.384 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.581 5.467 -7.335 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.387 4.237 -5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.834 3.509 -6.069 1.00 0.00 H new ATOM 966 N GLN A 63 -13.932 6.639 -2.871 1.00 0.00 N ATOM 967 CA GLN A 63 -14.693 7.646 -2.140 1.00 0.00 C ATOM 968 C GLN A 63 -14.256 7.705 -0.680 1.00 0.00 C ATOM 969 O GLN A 63 -14.623 8.625 0.052 1.00 0.00 O ATOM 970 CB GLN A 63 -16.190 7.344 -2.224 1.00 0.00 C ATOM 971 CG GLN A 63 -16.549 5.923 -1.818 1.00 0.00 C ATOM 972 CD GLN A 63 -16.029 5.561 -0.441 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.115 6.355 0.496 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.487 4.356 -0.310 1.00 0.00 N ATOM 0 H GLN A 63 -14.420 5.753 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.498 8.616 -2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.729 8.043 -1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.530 7.518 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.633 5.807 -1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.142 5.226 -2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.436 3.730 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.122 4.057 0.594 1.00 0.00 H new ATOM 983 N ASP A 64 -13.470 6.718 -0.262 1.00 0.00 N ATOM 984 CA ASP A 64 -12.982 6.658 1.110 1.00 0.00 C ATOM 985 C ASP A 64 -11.474 6.883 1.161 1.00 0.00 C ATOM 986 O ASP A 64 -10.698 6.070 0.657 1.00 0.00 O ATOM 987 CB ASP A 64 -13.330 5.308 1.740 1.00 0.00 C ATOM 988 CG ASP A 64 -14.684 5.320 2.422 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.160 6.419 2.778 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.268 4.231 2.599 1.00 0.00 O ATOM 0 H ASP A 64 -13.158 5.949 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.469 7.451 1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.321 4.537 0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.563 5.041 2.467 1.00 0.00 H new ATOM 995 N ILE A 65 -11.066 7.990 1.772 1.00 0.00 N ATOM 996 CA ILE A 65 -9.652 8.321 1.888 1.00 0.00 C ATOM 997 C ILE A 65 -9.116 7.968 3.272 1.00 0.00 C ATOM 998 O ILE A 65 -8.032 7.400 3.404 1.00 0.00 O ATOM 999 CB ILE A 65 -9.399 9.816 1.619 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -10.003 10.224 0.274 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.908 10.116 1.649 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.650 11.634 -0.145 1.00 0.00 C ATOM 0 H ILE A 65 -11.695 8.673 2.194 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.128 7.731 1.136 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.882 10.397 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.662 9.530 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -11.088 10.131 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.746 11.177 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.505 9.859 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.403 9.528 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.112 11.854 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.015 12.338 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.568 11.727 -0.233 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.884 8.306 4.302 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.490 8.022 5.676 1.00 0.00 C ATOM 1016 C LYS A 66 -9.763 6.564 6.030 1.00 0.00 C ATOM 1017 O LYS A 66 -8.939 5.906 6.665 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.240 8.941 6.643 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.568 9.076 7.999 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.898 10.406 8.655 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.218 10.343 9.409 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.757 11.700 9.699 1.00 0.00 N ATOM 0 H LYS A 66 -10.784 8.778 4.211 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.419 8.205 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.333 9.929 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.251 8.558 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.888 8.260 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.488 8.985 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.098 10.683 9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.949 11.185 7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.945 9.781 8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.076 9.801 10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.657 11.614 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.075 12.227 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.916 12.208 8.806 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.923 6.065 5.615 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.302 4.684 5.889 1.00 0.00 C ATOM 1038 C GLU A 67 -10.390 3.712 5.145 1.00 0.00 C ATOM 1039 O GLU A 67 -9.655 2.941 5.760 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.758 4.442 5.487 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.330 3.141 6.024 1.00 0.00 C ATOM 1042 CD GLU A 67 -13.976 3.305 7.386 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -13.619 4.266 8.099 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -14.839 2.474 7.739 1.00 0.00 O ATOM 0 H GLU A 67 -11.616 6.596 5.088 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.194 4.510 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.367 5.272 5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.830 4.439 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.068 2.755 5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.534 2.399 6.091 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.445 3.756 3.818 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.626 2.879 2.990 1.00 0.00 C ATOM 1053 C ASN A 68 -8.260 2.647 3.629 1.00 0.00 C ATOM 1054 O ASN A 68 -7.842 1.507 3.827 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.453 3.478 1.592 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.650 3.217 0.699 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.704 2.785 1.165 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.492 3.479 -0.593 1.00 0.00 N ATOM 0 H ASN A 68 -11.048 4.390 3.293 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.136 1.919 2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.294 4.553 1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.559 3.060 1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.263 3.323 -1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.600 3.836 -0.936 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.570 3.737 3.948 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.251 3.652 4.565 1.00 0.00 C ATOM 1067 C ASN A 69 -6.329 2.962 5.924 1.00 0.00 C ATOM 1068 O ASN A 69 -5.538 2.068 6.225 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.649 5.050 4.724 1.00 0.00 C ATOM 1070 CG ASN A 69 -5.068 5.580 3.427 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.850 5.669 3.270 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.940 5.935 2.491 1.00 0.00 N ATOM 0 H ASN A 69 -7.902 4.689 3.790 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.610 3.059 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.418 5.735 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.868 5.022 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.609 6.299 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.941 5.844 2.665 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.288 3.384 6.741 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.472 2.807 8.067 1.00 0.00 C ATOM 1081 C LYS A 70 -7.600 1.289 7.987 1.00 0.00 C ATOM 1082 O LYS A 70 -6.958 0.561 8.744 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.714 3.400 8.736 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.957 2.876 10.141 1.00 0.00 C ATOM 1085 CD LYS A 70 -7.964 3.458 11.132 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.143 2.857 12.518 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.373 3.363 13.187 1.00 0.00 N ATOM 0 H LYS A 70 -7.950 4.124 6.508 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.594 3.049 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.613 4.485 8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.587 3.183 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.972 3.124 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.880 1.789 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.948 3.273 10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.091 4.539 11.184 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.193 1.771 12.439 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.273 3.092 13.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.459 2.930 14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.314 4.397 13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.206 3.116 12.615 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.432 0.818 7.065 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.643 -0.613 6.883 1.00 0.00 C ATOM 1103 C LYS A 71 -7.312 -1.355 6.822 1.00 0.00 C ATOM 1104 O LYS A 71 -7.045 -2.237 7.638 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.443 -0.873 5.605 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.765 -0.126 5.552 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.790 -0.865 4.709 1.00 0.00 C ATOM 1108 CE LYS A 71 -13.208 -0.576 5.176 1.00 0.00 C ATOM 1109 NZ LYS A 71 -14.224 -1.224 4.300 1.00 0.00 N ATOM 0 H LYS A 71 -8.972 1.407 6.431 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.207 -0.984 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.839 -0.587 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.636 -1.942 5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.151 0.005 6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.605 0.870 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.683 -0.572 3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.600 -1.937 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.332 -0.930 6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.374 0.501 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.807 -0.493 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.744 -1.789 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.832 -1.844 4.873 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.481 -0.992 5.851 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.176 -1.621 5.687 1.00 0.00 C ATOM 1125 C ALA A 72 -4.424 -1.681 7.012 1.00 0.00 C ATOM 1126 O ALA A 72 -4.265 -2.752 7.599 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.357 -0.873 4.646 1.00 0.00 C ATOM 0 H ALA A 72 -6.688 -0.265 5.166 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.334 -2.643 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.385 -1.353 4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.882 -0.888 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.217 0.159 4.967 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.964 -0.525 7.478 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.226 -0.447 8.733 1.00 0.00 C ATOM 1135 C TYR A 73 -3.747 -1.472 9.736 1.00 0.00 C ATOM 1136 O TYR A 73 -2.976 -2.240 10.312 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.331 0.960 9.324 1.00 0.00 C ATOM 1138 CG TYR A 73 -3.047 2.059 8.324 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -2.071 1.901 7.348 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.753 3.255 8.357 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.807 2.902 6.433 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.497 4.261 7.446 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.524 4.080 6.486 1.00 0.00 C ATOM 1144 OH TYR A 73 -2.265 5.080 5.577 1.00 0.00 O ATOM 0 H TYR A 73 -4.089 0.370 7.006 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.180 -0.669 8.524 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.332 1.100 9.731 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.633 1.048 10.157 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.509 0.980 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.515 3.401 9.108 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.044 2.763 5.681 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.056 5.184 7.485 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.875 4.995 4.815 1.00 0.00 H new ATOM 1154 N ASP A 74 -5.060 -1.477 9.939 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.686 -2.407 10.871 1.00 0.00 C ATOM 1156 C ASP A 74 -5.257 -3.842 10.577 1.00 0.00 C ATOM 1157 O ASP A 74 -4.905 -4.594 11.484 1.00 0.00 O ATOM 1158 CB ASP A 74 -7.209 -2.291 10.795 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.909 -3.197 11.789 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.306 -4.214 12.193 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -9.060 -2.890 12.163 1.00 0.00 O ATOM 0 H ASP A 74 -5.711 -0.847 9.470 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.360 -2.148 11.878 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.501 -1.258 10.981 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.539 -2.539 9.786 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.292 -4.214 9.301 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.906 -5.558 8.910 1.00 0.00 C ATOM 1168 C GLY A 75 -3.403 -5.750 8.901 1.00 0.00 C ATOM 1169 O GLY A 75 -2.882 -6.664 9.541 1.00 0.00 O ATOM 0 H GLY A 75 -5.580 -3.610 8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.357 -6.276 9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.302 -5.772 7.918 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.702 -4.887 8.172 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.249 -4.968 8.080 1.00 0.00 C ATOM 1175 C PHE A 76 -0.621 -5.074 9.467 1.00 0.00 C ATOM 1176 O PHE A 76 0.123 -6.011 9.753 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.694 -3.743 7.349 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.980 -3.745 5.875 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.635 -4.834 5.090 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.593 -2.658 5.273 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.897 -4.839 3.733 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.858 -2.658 3.917 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.509 -3.749 3.145 1.00 0.00 C ATOM 0 H PHE A 76 -3.117 -4.124 7.637 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.995 -5.865 7.516 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.118 -2.842 7.792 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.384 -3.696 7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.156 -5.689 5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.867 -1.801 5.870 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.624 -5.694 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.338 -1.805 3.461 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.714 -3.750 2.085 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.927 -4.105 10.324 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.394 -4.089 11.681 1.00 0.00 C ATOM 1195 C ALA A 77 -0.902 -5.282 12.483 1.00 0.00 C ATOM 1196 O ALA A 77 -0.444 -5.532 13.599 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.762 -2.787 12.377 1.00 0.00 C ATOM 0 H ALA A 77 -1.541 -3.321 10.103 1.00 0.00 H new ATOM 0 HA ALA A 77 0.692 -4.161 11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.358 -2.789 13.389 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.345 -1.947 11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.847 -2.691 12.420 1.00 0.00 H new ATOM 1203 N SER A 78 -1.850 -6.015 11.909 1.00 0.00 N ATOM 1204 CA SER A 78 -2.423 -7.180 12.574 1.00 0.00 C ATOM 1205 C SER A 78 -1.445 -8.351 12.556 1.00 0.00 C ATOM 1206 O SER A 78 -1.351 -9.110 13.522 1.00 0.00 O ATOM 1207 CB SER A 78 -3.734 -7.585 11.898 1.00 0.00 C ATOM 1208 OG SER A 78 -4.556 -8.327 12.783 1.00 0.00 O ATOM 0 H SER A 78 -2.238 -5.823 10.985 1.00 0.00 H new ATOM 0 HA SER A 78 -2.625 -6.914 13.612 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.265 -6.694 11.564 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.520 -8.180 11.010 1.00 0.00 H new ATOM 0 HG SER A 78 -5.388 -8.573 12.328 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.720 -8.491 11.452 1.00 0.00 N ATOM 1215 CA ILE A 79 0.251 -9.569 11.308 1.00 0.00 C ATOM 1216 C ILE A 79 1.582 -9.199 11.956 1.00 0.00 C ATOM 1217 O ILE A 79 2.301 -10.063 12.457 1.00 0.00 O ATOM 1218 CB ILE A 79 0.493 -9.915 9.827 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.656 -8.637 9.002 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.652 -10.759 9.287 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.374 -8.853 7.688 1.00 0.00 C ATOM 0 H ILE A 79 -0.786 -7.872 10.644 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.167 -10.440 11.812 1.00 0.00 H new ATOM 0 HB ILE A 79 1.413 -10.494 9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.329 -8.214 8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.205 -7.902 9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.467 -10.996 8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.725 -11.683 9.860 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.586 -10.204 9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.453 -7.905 7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.372 -9.247 7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.814 -9.564 7.080 1.00 0.00 H new ATOM 1233 N GLY A 80 1.902 -7.909 11.943 1.00 0.00 N ATOM 1234 CA GLY A 80 3.145 -7.447 12.533 1.00 0.00 C ATOM 1235 C GLY A 80 3.816 -6.371 11.704 1.00 0.00 C ATOM 1236 O GLY A 80 5.044 -6.320 11.618 1.00 0.00 O ATOM 0 H GLY A 80 1.323 -7.175 11.535 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.947 -7.060 13.533 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.825 -8.291 12.646 1.00 0.00 H new ATOM 1240 N ILE A 81 3.011 -5.511 11.090 1.00 0.00 N ATOM 1241 CA ILE A 81 3.535 -4.431 10.263 1.00 0.00 C ATOM 1242 C ILE A 81 3.330 -3.076 10.932 1.00 0.00 C ATOM 1243 O ILE A 81 2.279 -2.453 10.786 1.00 0.00 O ATOM 1244 CB ILE A 81 2.868 -4.411 8.874 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.004 -5.778 8.200 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.483 -3.323 8.007 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.561 -5.784 6.754 1.00 0.00 C ATOM 0 H ILE A 81 1.993 -5.541 11.149 1.00 0.00 H new ATOM 0 HA ILE A 81 4.602 -4.616 10.142 1.00 0.00 H new ATOM 0 HB ILE A 81 1.808 -4.192 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.044 -6.099 8.254 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.415 -6.508 8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.001 -3.321 7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.340 -2.353 8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.549 -3.514 7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.685 -6.785 6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.512 -5.493 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.166 -5.078 6.185 1.00 0.00 H new ATOM 1259 N SER A 82 4.343 -2.626 11.665 1.00 0.00 N ATOM 1260 CA SER A 82 4.274 -1.345 12.359 1.00 0.00 C ATOM 1261 C SER A 82 3.683 -0.268 11.455 1.00 0.00 C ATOM 1262 O SER A 82 4.119 -0.090 10.317 1.00 0.00 O ATOM 1263 CB SER A 82 5.666 -0.922 12.833 1.00 0.00 C ATOM 1264 OG SER A 82 6.561 -0.801 11.741 1.00 0.00 O ATOM 0 H SER A 82 5.221 -3.129 11.794 1.00 0.00 H new ATOM 0 HA SER A 82 3.624 -1.464 13.225 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.600 0.029 13.361 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.050 -1.655 13.543 1.00 0.00 H new ATOM 0 HG SER A 82 6.058 -0.584 10.928 1.00 0.00 H new ATOM 1270 N ARG A 83 2.688 0.447 11.969 1.00 0.00 N ATOM 1271 CA ARG A 83 2.035 1.506 11.208 1.00 0.00 C ATOM 1272 C ARG A 83 2.888 2.771 11.195 1.00 0.00 C ATOM 1273 O ARG A 83 3.259 3.294 12.247 1.00 0.00 O ATOM 1274 CB ARG A 83 0.658 1.813 11.798 1.00 0.00 C ATOM 1275 CG ARG A 83 0.709 2.333 13.225 1.00 0.00 C ATOM 1276 CD ARG A 83 -0.638 2.195 13.917 1.00 0.00 C ATOM 1277 NE ARG A 83 -1.066 0.801 14.008 1.00 0.00 N ATOM 1278 CZ ARG A 83 -2.161 0.409 14.651 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -2.933 1.300 15.256 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -2.484 -0.877 14.688 1.00 0.00 N ATOM 0 H ARG A 83 2.316 0.313 12.909 1.00 0.00 H new ATOM 0 HA ARG A 83 1.914 1.159 10.182 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.159 2.550 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.051 0.908 11.771 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.465 1.785 13.786 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.012 3.380 13.221 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.577 2.622 14.918 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.387 2.769 13.371 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.493 0.090 13.553 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.687 2.290 15.229 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.773 0.996 15.749 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.892 -1.565 14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.324 -1.178 15.182 1.00 0.00 H new ATOM 1294 N LEU A 84 3.197 3.258 9.998 1.00 0.00 N ATOM 1295 CA LEU A 84 4.007 4.462 9.848 1.00 0.00 C ATOM 1296 C LEU A 84 3.153 5.638 9.386 1.00 0.00 C ATOM 1297 O LEU A 84 3.188 6.716 9.982 1.00 0.00 O ATOM 1298 CB LEU A 84 5.140 4.217 8.850 1.00 0.00 C ATOM 1299 CG LEU A 84 6.034 3.009 9.133 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.015 2.792 7.991 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.775 3.190 10.449 1.00 0.00 C ATOM 0 H LEU A 84 2.899 2.838 9.118 1.00 0.00 H new ATOM 0 HA LEU A 84 4.434 4.707 10.821 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.704 4.097 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.767 5.108 8.817 1.00 0.00 H new ATOM 0 HG LEU A 84 5.402 2.125 9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.643 1.928 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.464 2.616 7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.642 3.676 7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.406 2.321 10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.396 4.085 10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.055 3.295 11.261 1.00 0.00 H new ATOM 1313 N LEU A 85 2.385 5.424 8.324 1.00 0.00 N ATOM 1314 CA LEU A 85 1.520 6.466 7.783 1.00 0.00 C ATOM 1315 C LEU A 85 0.139 6.417 8.429 1.00 0.00 C ATOM 1316 O LEU A 85 -0.350 5.347 8.789 1.00 0.00 O ATOM 1317 CB LEU A 85 1.391 6.314 6.266 1.00 0.00 C ATOM 1318 CG LEU A 85 0.889 7.544 5.508 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.886 8.687 5.625 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.636 7.203 4.047 1.00 0.00 C ATOM 0 H LEU A 85 2.344 4.538 7.820 1.00 0.00 H new ATOM 0 HA LEU A 85 1.973 7.432 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.366 6.038 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.715 5.484 6.060 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.053 7.863 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.512 9.553 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.018 8.949 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.843 8.379 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.279 8.090 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.563 6.858 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.116 6.416 3.982 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.485 7.582 8.570 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.811 7.670 9.171 1.00 0.00 C ATOM 1334 C GLU A 86 -2.884 7.845 8.100 1.00 0.00 C ATOM 1335 O GLU A 86 -2.670 8.484 7.070 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.869 8.835 10.162 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.841 8.738 11.277 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.314 9.386 12.564 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -1.535 10.616 12.562 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -1.462 8.665 13.572 1.00 0.00 O ATOM 0 H GLU A 86 -0.094 8.477 8.277 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.003 6.739 9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.718 9.769 9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.866 8.878 10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.613 7.689 11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.085 9.213 10.954 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.066 7.262 8.348 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.196 7.338 7.417 1.00 0.00 C ATOM 1349 C PRO A 87 -5.792 8.740 7.342 1.00 0.00 C ATOM 1350 O PRO A 87 -6.101 9.236 6.259 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.211 6.357 8.010 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.881 6.302 9.462 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.391 6.484 9.555 1.00 0.00 C ATOM 0 HA PRO A 87 -4.899 7.100 6.396 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.233 6.699 7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.128 5.373 7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.405 7.084 10.011 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.186 5.350 9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.107 7.015 10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.869 5.527 9.569 1.00 0.00 H new ATOM 1361 N SER A 88 -5.950 9.374 8.500 1.00 0.00 N ATOM 1362 CA SER A 88 -6.511 10.718 8.566 1.00 0.00 C ATOM 1363 C SER A 88 -5.570 11.732 7.924 1.00 0.00 C ATOM 1364 O SER A 88 -5.978 12.524 7.074 1.00 0.00 O ATOM 1365 CB SER A 88 -6.786 11.108 10.019 1.00 0.00 C ATOM 1366 OG SER A 88 -5.580 11.211 10.756 1.00 0.00 O ATOM 0 H SER A 88 -5.697 8.978 9.405 1.00 0.00 H new ATOM 0 HA SER A 88 -7.450 10.720 8.013 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.317 12.060 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.436 10.365 10.481 1.00 0.00 H new ATOM 0 HG SER A 88 -5.782 11.463 11.681 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.308 11.702 8.337 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.306 12.617 7.802 1.00 0.00 C ATOM 1374 C ASP A 89 -3.538 12.868 6.316 1.00 0.00 C ATOM 1375 O ASP A 89 -3.520 14.011 5.859 1.00 0.00 O ATOM 1376 CB ASP A 89 -1.901 12.055 8.024 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.363 12.370 9.406 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -2.138 12.276 10.381 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.166 12.710 9.513 1.00 0.00 O ATOM 0 H ASP A 89 -3.954 11.054 9.041 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.397 13.566 8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.918 10.974 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.226 12.465 7.272 1.00 0.00 H new ATOM 1384 N MET A 90 -3.755 11.793 5.565 1.00 0.00 N ATOM 1385 CA MET A 90 -3.990 11.898 4.130 1.00 0.00 C ATOM 1386 C MET A 90 -5.068 12.935 3.830 1.00 0.00 C ATOM 1387 O MET A 90 -4.895 13.791 2.963 1.00 0.00 O ATOM 1388 CB MET A 90 -4.400 10.539 3.558 1.00 0.00 C ATOM 1389 CG MET A 90 -3.355 9.454 3.762 1.00 0.00 C ATOM 1390 SD MET A 90 -2.057 9.496 2.511 1.00 0.00 S ATOM 1391 CE MET A 90 -2.039 7.785 1.984 1.00 0.00 C ATOM 0 H MET A 90 -3.773 10.839 5.927 1.00 0.00 H new ATOM 0 HA MET A 90 -3.061 12.218 3.657 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.334 10.225 4.024 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.596 10.647 2.491 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.907 9.568 4.749 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.841 8.479 3.743 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.284 7.651 1.209 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.804 7.145 2.834 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.018 7.516 1.587 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.180 12.852 4.553 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.286 13.783 4.364 1.00 0.00 C ATOM 1403 C VAL A 91 -6.903 15.189 4.815 1.00 0.00 C ATOM 1404 O VAL A 91 -7.106 16.162 4.089 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.539 13.331 5.138 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.728 14.214 4.791 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.846 11.870 4.847 1.00 0.00 C ATOM 0 H VAL A 91 -6.339 12.149 5.275 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.512 13.795 3.298 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.342 13.431 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.604 13.880 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.503 15.247 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.930 14.148 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.734 11.567 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.024 11.741 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.000 11.253 5.151 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.348 15.287 6.018 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.935 16.574 6.567 1.00 0.00 C ATOM 1419 C LEU A 92 -5.254 17.427 5.502 1.00 0.00 C ATOM 1420 O LEU A 92 -5.707 18.529 5.190 1.00 0.00 O ATOM 1421 CB LEU A 92 -4.990 16.366 7.752 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.518 15.486 8.885 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.428 15.231 9.915 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.732 16.130 9.539 1.00 0.00 C ATOM 0 H LEU A 92 -6.174 14.491 6.632 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.827 17.098 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.064 15.928 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.737 17.342 8.165 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.823 14.528 8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.822 14.603 10.714 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.588 14.727 9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.092 16.180 10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.095 15.490 10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.453 17.102 9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.519 16.260 8.796 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.164 16.910 4.945 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.421 17.624 3.912 1.00 0.00 C ATOM 1438 C LEU A 93 -3.863 17.183 2.521 1.00 0.00 C ATOM 1439 O LEU A 93 -4.745 16.336 2.378 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.919 17.387 4.082 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.463 15.927 4.065 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.838 15.267 2.747 1.00 0.00 C ATOM 1443 CD2 LEU A 93 0.037 15.834 4.302 1.00 0.00 C ATOM 0 H LEU A 93 -3.775 16.000 5.191 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.629 18.689 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.395 17.919 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.606 17.834 5.026 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.971 15.398 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.506 14.229 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.920 15.301 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.357 15.797 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.344 14.788 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.564 16.378 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.280 16.269 5.271 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.243 17.761 1.498 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.569 17.425 0.117 1.00 0.00 C ATOM 1457 C ALA A 94 -2.734 16.247 -0.373 1.00 0.00 C ATOM 1458 O ALA A 94 -3.261 15.163 -0.627 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.361 18.633 -0.784 1.00 0.00 C ATOM 0 H ALA A 94 -2.512 18.465 1.599 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.619 17.134 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.608 18.367 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.006 19.448 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.320 18.951 -0.732 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.430 16.466 -0.504 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.523 15.421 -0.963 1.00 0.00 C ATOM 1467 C ILE A 95 0.404 14.965 0.159 1.00 0.00 C ATOM 1468 O ILE A 95 1.037 15.771 0.841 1.00 0.00 O ATOM 1469 CB ILE A 95 0.329 15.899 -2.154 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.572 16.414 -3.279 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.219 14.772 -2.655 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.684 15.457 -3.649 1.00 0.00 C ATOM 0 H ILE A 95 -0.978 17.357 -0.299 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.143 14.583 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 95 0.967 16.718 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.008 17.366 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.038 16.609 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.815 15.126 -3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.881 14.447 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.600 13.934 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.282 15.887 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.255 14.512 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.317 15.281 -2.779 1.00 0.00 H new ATOM 1484 N PRO A 96 0.488 13.641 0.355 1.00 0.00 N ATOM 1485 CA PRO A 96 1.337 13.047 1.392 1.00 0.00 C ATOM 1486 C PRO A 96 2.822 13.194 1.080 1.00 0.00 C ATOM 1487 O PRO A 96 3.204 13.909 0.154 1.00 0.00 O ATOM 1488 CB PRO A 96 0.931 11.571 1.380 1.00 0.00 C ATOM 1489 CG PRO A 96 0.408 11.333 0.005 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.239 12.622 -0.420 1.00 0.00 C ATOM 0 HA PRO A 96 1.201 13.533 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.781 10.925 1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.172 11.363 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.213 11.057 -0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.311 10.514 -0.003 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.140 12.787 -1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.305 12.630 -0.194 1.00 0.00 H new ATOM 1498 N ASP A 97 3.655 12.512 1.858 1.00 0.00 N ATOM 1499 CA ASP A 97 5.100 12.566 1.664 1.00 0.00 C ATOM 1500 C ASP A 97 5.592 11.336 0.906 1.00 0.00 C ATOM 1501 O ASP A 97 5.794 10.273 1.491 1.00 0.00 O ATOM 1502 CB ASP A 97 5.814 12.668 3.012 1.00 0.00 C ATOM 1503 CG ASP A 97 5.792 14.077 3.573 1.00 0.00 C ATOM 1504 OD1 ASP A 97 6.162 15.015 2.836 1.00 0.00 O ATOM 1505 OD2 ASP A 97 5.405 14.241 4.748 1.00 0.00 O ATOM 0 H ASP A 97 3.355 11.915 2.629 1.00 0.00 H new ATOM 0 HA ASP A 97 5.330 13.452 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.342 11.990 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.848 12.341 2.898 1.00 0.00 H new ATOM 1510 N LYS A 98 5.781 11.490 -0.400 1.00 0.00 N ATOM 1511 CA LYS A 98 6.249 10.393 -1.240 1.00 0.00 C ATOM 1512 C LYS A 98 7.220 9.499 -0.476 1.00 0.00 C ATOM 1513 O LYS A 98 7.020 8.287 -0.381 1.00 0.00 O ATOM 1514 CB LYS A 98 6.926 10.941 -2.499 1.00 0.00 C ATOM 1515 CG LYS A 98 7.147 9.892 -3.575 1.00 0.00 C ATOM 1516 CD LYS A 98 8.026 10.421 -4.696 1.00 0.00 C ATOM 1517 CE LYS A 98 8.836 9.308 -5.343 1.00 0.00 C ATOM 1518 NZ LYS A 98 8.105 8.677 -6.477 1.00 0.00 N ATOM 0 H LYS A 98 5.617 12.364 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 98 5.385 9.796 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.316 11.747 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.887 11.376 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.610 9.009 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.186 9.579 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.404 10.905 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.700 11.182 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.784 9.710 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.072 8.550 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.690 7.924 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.212 8.271 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.902 9.395 -7.201 1.00 0.00 H new ATOM 1532 N LEU A 99 8.270 10.104 0.069 1.00 0.00 N ATOM 1533 CA LEU A 99 9.272 9.362 0.827 1.00 0.00 C ATOM 1534 C LEU A 99 8.614 8.495 1.895 1.00 0.00 C ATOM 1535 O LEU A 99 8.836 7.284 1.952 1.00 0.00 O ATOM 1536 CB LEU A 99 10.265 10.327 1.477 1.00 0.00 C ATOM 1537 CG LEU A 99 11.109 11.168 0.518 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.818 12.284 1.271 1.00 0.00 C ATOM 1539 CD2 LEU A 99 12.115 10.294 -0.216 1.00 0.00 C ATOM 0 H LEU A 99 8.450 11.106 0.000 1.00 0.00 H new ATOM 0 HA LEU A 99 9.807 8.711 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.711 11.002 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.938 9.751 2.112 1.00 0.00 H new ATOM 0 HG LEU A 99 10.445 11.619 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.414 12.872 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.079 12.927 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.470 11.853 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.706 10.910 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.775 9.813 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.586 9.531 -0.787 1.00 0.00 H new ATOM 1551 N THR A 100 7.802 9.121 2.741 1.00 0.00 N ATOM 1552 CA THR A 100 7.111 8.407 3.807 1.00 0.00 C ATOM 1553 C THR A 100 6.328 7.221 3.257 1.00 0.00 C ATOM 1554 O THR A 100 6.623 6.068 3.573 1.00 0.00 O ATOM 1555 CB THR A 100 6.147 9.334 4.571 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.876 10.406 5.179 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.385 8.562 5.638 1.00 0.00 C ATOM 0 H THR A 100 7.607 10.122 2.708 1.00 0.00 H new ATOM 0 HA THR A 100 7.877 8.046 4.493 1.00 0.00 H new ATOM 0 HB THR A 100 5.430 9.742 3.859 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.255 10.991 5.661 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.711 9.238 6.164 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.807 7.766 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.090 8.129 6.347 1.00 0.00 H new ATOM 1565 N VAL A 101 5.328 7.510 2.430 1.00 0.00 N ATOM 1566 CA VAL A 101 4.503 6.466 1.834 1.00 0.00 C ATOM 1567 C VAL A 101 5.357 5.301 1.348 1.00 0.00 C ATOM 1568 O VAL A 101 5.203 4.170 1.809 1.00 0.00 O ATOM 1569 CB VAL A 101 3.676 7.010 0.653 1.00 0.00 C ATOM 1570 CG1 VAL A 101 2.856 5.897 0.018 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.779 8.149 1.112 1.00 0.00 C ATOM 0 H VAL A 101 5.070 8.458 2.158 1.00 0.00 H new ATOM 0 HA VAL A 101 3.825 6.116 2.612 1.00 0.00 H new ATOM 0 HB VAL A 101 4.361 7.398 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.279 6.300 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.523 5.117 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.178 5.476 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.202 8.521 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.099 7.788 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.392 8.955 1.516 1.00 0.00 H new ATOM 1581 N MET A 102 6.259 5.585 0.413 1.00 0.00 N ATOM 1582 CA MET A 102 7.140 4.560 -0.135 1.00 0.00 C ATOM 1583 C MET A 102 7.776 3.737 0.981 1.00 0.00 C ATOM 1584 O MET A 102 7.797 2.507 0.926 1.00 0.00 O ATOM 1585 CB MET A 102 8.229 5.201 -0.996 1.00 0.00 C ATOM 1586 CG MET A 102 7.758 5.573 -2.393 1.00 0.00 C ATOM 1587 SD MET A 102 9.087 6.225 -3.423 1.00 0.00 S ATOM 1588 CE MET A 102 9.500 4.779 -4.397 1.00 0.00 C ATOM 0 H MET A 102 6.399 6.516 0.020 1.00 0.00 H new ATOM 0 HA MET A 102 6.540 3.895 -0.756 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.597 6.096 -0.495 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.070 4.512 -1.076 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.329 4.694 -2.874 1.00 0.00 H new ATOM 0 HG3 MET A 102 6.963 6.315 -2.319 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.417 4.332 -4.014 1.00 0.00 H new ATOM 0 HE2 MET A 102 8.689 4.054 -4.333 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.645 5.070 -5.437 1.00 0.00 H new ATOM 1598 N THR A 103 8.296 4.423 1.994 1.00 0.00 N ATOM 1599 CA THR A 103 8.934 3.756 3.122 1.00 0.00 C ATOM 1600 C THR A 103 8.034 2.670 3.699 1.00 0.00 C ATOM 1601 O THR A 103 8.456 1.525 3.868 1.00 0.00 O ATOM 1602 CB THR A 103 9.292 4.757 4.237 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.160 5.773 3.724 1.00 0.00 O ATOM 1604 CG2 THR A 103 9.965 4.049 5.403 1.00 0.00 C ATOM 0 H THR A 103 8.288 5.441 2.056 1.00 0.00 H new ATOM 0 HA THR A 103 9.850 3.302 2.744 1.00 0.00 H new ATOM 0 HB THR A 103 8.369 5.215 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.649 6.380 3.149 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.209 4.776 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.290 3.296 5.810 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.879 3.567 5.057 1.00 0.00 H new ATOM 1612 N TYR A 104 6.793 3.034 4.000 1.00 0.00 N ATOM 1613 CA TYR A 104 5.833 2.090 4.560 1.00 0.00 C ATOM 1614 C TYR A 104 5.604 0.918 3.610 1.00 0.00 C ATOM 1615 O TYR A 104 5.678 -0.244 4.009 1.00 0.00 O ATOM 1616 CB TYR A 104 4.506 2.792 4.852 1.00 0.00 C ATOM 1617 CG TYR A 104 3.512 1.925 5.591 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.906 1.154 6.678 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.179 1.877 5.203 1.00 0.00 C ATOM 1620 CE1 TYR A 104 3.002 0.360 7.356 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.267 1.086 5.876 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.683 0.329 6.951 1.00 0.00 C ATOM 1623 OH TYR A 104 0.779 -0.459 7.625 1.00 0.00 O ATOM 0 H TYR A 104 6.428 3.977 3.866 1.00 0.00 H new ATOM 0 HA TYR A 104 6.244 1.703 5.493 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.701 3.689 5.440 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.062 3.118 3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.937 1.176 6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.850 2.468 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.325 -0.233 8.198 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.234 1.061 5.562 1.00 0.00 H new ATOM 0 HH TYR A 104 1.049 -0.537 8.564 1.00 0.00 H new ATOM 1633 N LEU A 105 5.325 1.233 2.350 1.00 0.00 N ATOM 1634 CA LEU A 105 5.085 0.208 1.340 1.00 0.00 C ATOM 1635 C LEU A 105 6.154 -0.878 1.402 1.00 0.00 C ATOM 1636 O LEU A 105 5.850 -2.051 1.619 1.00 0.00 O ATOM 1637 CB LEU A 105 5.058 0.835 -0.055 1.00 0.00 C ATOM 1638 CG LEU A 105 3.696 1.332 -0.541 1.00 0.00 C ATOM 1639 CD1 LEU A 105 3.857 2.205 -1.776 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.773 0.158 -0.832 1.00 0.00 C ATOM 0 H LEU A 105 5.259 2.190 2.003 1.00 0.00 H new ATOM 0 HA LEU A 105 4.117 -0.249 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.754 1.674 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.430 0.100 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 105 3.247 1.934 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.878 2.550 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.482 3.065 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.327 1.627 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.808 0.530 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.216 -0.471 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.632 -0.428 0.076 1.00 0.00 H new ATOM 1652 N TYR A 106 7.407 -0.479 1.211 1.00 0.00 N ATOM 1653 CA TYR A 106 8.522 -1.418 1.245 1.00 0.00 C ATOM 1654 C TYR A 106 8.307 -2.480 2.318 1.00 0.00 C ATOM 1655 O TYR A 106 8.542 -3.666 2.089 1.00 0.00 O ATOM 1656 CB TYR A 106 9.834 -0.675 1.501 1.00 0.00 C ATOM 1657 CG TYR A 106 10.426 -0.045 0.261 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.760 -0.818 -0.844 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.649 1.325 0.193 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.301 -0.247 -1.979 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.188 1.906 -0.938 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.513 1.116 -2.021 1.00 0.00 C ATOM 1663 OH TYR A 106 12.051 1.689 -3.151 1.00 0.00 O ATOM 0 H TYR A 106 7.676 0.488 1.031 1.00 0.00 H new ATOM 0 HA TYR A 106 8.577 -1.914 0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.662 0.102 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.558 -1.370 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.594 -1.885 -0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.396 1.946 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.557 -0.863 -2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.354 2.973 -0.974 1.00 0.00 H new ATOM 0 HH TYR A 106 12.135 2.656 -3.019 1.00 0.00 H new ATOM 1673 N GLN A 107 7.858 -2.044 3.491 1.00 0.00 N ATOM 1674 CA GLN A 107 7.611 -2.957 4.601 1.00 0.00 C ATOM 1675 C GLN A 107 6.681 -4.090 4.178 1.00 0.00 C ATOM 1676 O GLN A 107 7.053 -5.263 4.228 1.00 0.00 O ATOM 1677 CB GLN A 107 7.007 -2.201 5.786 1.00 0.00 C ATOM 1678 CG GLN A 107 7.843 -1.016 6.241 1.00 0.00 C ATOM 1679 CD GLN A 107 9.113 -1.436 6.954 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.065 -2.085 8.000 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.258 -1.068 6.392 1.00 0.00 N ATOM 0 H GLN A 107 7.658 -1.065 3.697 1.00 0.00 H new ATOM 0 HA GLN A 107 8.565 -3.389 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.012 -1.850 5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.884 -2.890 6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.102 -0.405 5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.248 -0.390 6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.251 -0.531 5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.145 -1.322 6.827 1.00 0.00 H new ATOM 1690 N ILE A 108 5.471 -3.731 3.762 1.00 0.00 N ATOM 1691 CA ILE A 108 4.489 -4.718 3.330 1.00 0.00 C ATOM 1692 C ILE A 108 5.103 -5.712 2.350 1.00 0.00 C ATOM 1693 O ILE A 108 5.025 -6.925 2.550 1.00 0.00 O ATOM 1694 CB ILE A 108 3.271 -4.047 2.668 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.549 -3.146 3.672 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.323 -5.100 2.114 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.061 -1.723 3.684 1.00 0.00 C ATOM 0 H ILE A 108 5.147 -2.765 3.715 1.00 0.00 H new ATOM 0 HA ILE A 108 4.160 -5.249 4.224 1.00 0.00 H new ATOM 0 HB ILE A 108 3.620 -3.429 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.484 -3.138 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.655 -3.570 4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.467 -4.611 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.844 -5.703 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.978 -5.742 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.504 -1.142 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.119 -1.719 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.930 -1.281 2.696 1.00 0.00 H new ATOM 1709 N ARG A 109 5.715 -5.191 1.292 1.00 0.00 N ATOM 1710 CA ARG A 109 6.344 -6.033 0.282 1.00 0.00 C ATOM 1711 C ARG A 109 7.456 -6.879 0.894 1.00 0.00 C ATOM 1712 O ARG A 109 7.654 -8.032 0.513 1.00 0.00 O ATOM 1713 CB ARG A 109 6.908 -5.172 -0.851 1.00 0.00 C ATOM 1714 CG ARG A 109 7.792 -5.942 -1.818 1.00 0.00 C ATOM 1715 CD ARG A 109 8.758 -5.018 -2.545 1.00 0.00 C ATOM 1716 NE ARG A 109 9.667 -5.755 -3.419 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.699 -6.464 -2.975 1.00 0.00 C ATOM 1718 NH1 ARG A 109 10.951 -6.532 -1.675 1.00 0.00 N ATOM 1719 NH2 ARG A 109 11.481 -7.108 -3.833 1.00 0.00 N ATOM 0 H ARG A 109 5.789 -4.190 1.112 1.00 0.00 H new ATOM 0 HA ARG A 109 5.584 -6.701 -0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.081 -4.727 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.483 -4.352 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.353 -6.702 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.170 -6.465 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.194 -4.296 -3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.336 -4.451 -1.815 1.00 0.00 H new ATOM 0 HE ARG A 109 9.500 -5.724 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.352 -6.039 -1.013 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.744 -7.077 -1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.290 -7.059 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.273 -7.652 -3.492 1.00 0.00 H new ATOM 1733 N ALA A 110 8.180 -6.297 1.844 1.00 0.00 N ATOM 1734 CA ALA A 110 9.272 -6.997 2.510 1.00 0.00 C ATOM 1735 C ALA A 110 8.755 -8.196 3.298 1.00 0.00 C ATOM 1736 O ALA A 110 9.311 -9.292 3.217 1.00 0.00 O ATOM 1737 CB ALA A 110 10.027 -6.047 3.427 1.00 0.00 C ATOM 0 H ALA A 110 8.030 -5.342 2.170 1.00 0.00 H new ATOM 0 HA ALA A 110 9.955 -7.365 1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 110 10.839 -6.583 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.437 -5.225 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.346 -5.651 4.181 1.00 0.00 H new ATOM 1743 N HIS A 111 7.687 -7.982 4.060 1.00 0.00 N ATOM 1744 CA HIS A 111 7.095 -9.046 4.863 1.00 0.00 C ATOM 1745 C HIS A 111 6.793 -10.270 4.005 1.00 0.00 C ATOM 1746 O HIS A 111 7.335 -11.352 4.236 1.00 0.00 O ATOM 1747 CB HIS A 111 5.814 -8.552 5.537 1.00 0.00 C ATOM 1748 CG HIS A 111 4.995 -9.650 6.143 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.397 -10.364 7.252 1.00 0.00 N ATOM 1750 CD2 HIS A 111 3.789 -10.153 5.790 1.00 0.00 C ATOM 1751 CE1 HIS A 111 4.474 -11.261 7.554 1.00 0.00 C ATOM 1752 NE2 HIS A 111 3.488 -11.153 6.682 1.00 0.00 N ATOM 0 H HIS A 111 7.214 -7.082 4.138 1.00 0.00 H new ATOM 0 HA HIS A 111 7.814 -9.331 5.631 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.076 -7.834 6.314 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.208 -8.021 4.803 1.00 0.00 H new ATOM 0 HD2 HIS A 111 3.177 -9.828 4.961 1.00 0.00 H new ATOM 0 HE1 HIS A 111 4.519 -11.962 8.374 1.00 0.00 H new ATOM 0 HE2 HIS A 111 2.640 -11.720 6.673 1.00 0.00 H new ATOM 1761 N PHE A 112 5.924 -10.094 3.015 1.00 0.00 N ATOM 1762 CA PHE A 112 5.549 -11.185 2.123 1.00 0.00 C ATOM 1763 C PHE A 112 6.737 -11.628 1.275 1.00 0.00 C ATOM 1764 O PHE A 112 7.154 -12.785 1.327 1.00 0.00 O ATOM 1765 CB PHE A 112 4.393 -10.756 1.217 1.00 0.00 C ATOM 1766 CG PHE A 112 3.077 -10.649 1.934 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.340 -11.784 2.231 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.577 -9.413 2.311 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.129 -11.689 2.891 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.368 -9.311 2.971 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.642 -10.451 3.261 1.00 0.00 C ATOM 0 H PHE A 112 5.466 -9.206 2.810 1.00 0.00 H new ATOM 0 HA PHE A 112 5.229 -12.028 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.632 -9.792 0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.296 -11.472 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.716 -12.755 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.139 -8.519 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.565 -12.582 3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 112 0.990 -8.341 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.304 -10.374 3.776 1.00 0.00 H new