USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 518 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 2 ASN : amide:sc= 0.571 X(o=0.91,f=0.93) USER MOD Set 1.2: A 3 SER OG : rot 41:sc= 0.341 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0178 (180deg=-0.422) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= -0.0132 (180deg=-0.102) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0344) USER MOD Single : A 12 GLN : amide:sc=-0.00162 X(o=-0.0016,f=0) USER MOD Single : A 14 THR OG1 : rot -97:sc= 1.2 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0294 (180deg=-0.209) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 0.677 (180deg=0.216) USER MOD Single : A 25 THR OG1 : rot -77:sc= 1.52 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0168 F(o=-1.3!,f=-0.017) USER MOD Single : A 35 HIS : +bothHN:sc= -2.11! C(o=-2.1!,f=-11!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 2.43 (180deg=2.35) USER MOD Single : A 44 GLN : amide:sc= -1.04 K(o=-1,f=-3.1) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.534 USER MOD Single : A 50 SER OG : rot 143:sc= 0.652 USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.27) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.802 13.425 -4.282 1.00 0.00 N ATOM 2 CA MET A 1 10.726 12.571 -3.725 1.00 0.00 C ATOM 3 C MET A 1 11.208 11.130 -3.619 1.00 0.00 C ATOM 4 O MET A 1 12.285 10.799 -4.117 1.00 0.00 O ATOM 5 CB MET A 1 9.465 12.662 -4.603 1.00 0.00 C ATOM 6 CG MET A 1 9.677 12.268 -6.063 1.00 0.00 C ATOM 7 SD MET A 1 9.803 10.483 -6.308 1.00 0.00 S ATOM 8 CE MET A 1 10.286 10.408 -8.032 1.00 0.00 C ATOM 0 H1 MET A 1 11.396 14.088 -4.973 1.00 0.00 H new ATOM 0 H2 MET A 1 12.253 13.960 -3.513 1.00 0.00 H new ATOM 0 H3 MET A 1 12.512 12.827 -4.751 1.00 0.00 H new ATOM 0 HA MET A 1 10.472 12.925 -2.726 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.694 12.021 -4.176 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.086 13.684 -4.567 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.850 12.653 -6.660 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.585 12.744 -6.433 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.403 9.367 -8.332 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.518 10.878 -8.646 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.231 10.933 -8.168 1.00 0.00 H new ATOM 18 N ASN A 2 10.430 10.274 -2.967 1.00 0.00 N ATOM 19 CA ASN A 2 10.797 8.864 -2.859 1.00 0.00 C ATOM 20 C ASN A 2 9.588 7.961 -3.081 1.00 0.00 C ATOM 21 O ASN A 2 9.457 7.339 -4.133 1.00 0.00 O ATOM 22 CB ASN A 2 11.439 8.573 -1.499 1.00 0.00 C ATOM 23 CG ASN A 2 11.926 7.140 -1.373 1.00 0.00 C ATOM 24 OD1 ASN A 2 11.200 6.263 -0.903 1.00 0.00 O ATOM 25 ND2 ASN A 2 13.158 6.892 -1.795 1.00 0.00 N ATOM 0 H ASN A 2 9.553 10.525 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 2 11.527 8.650 -3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 2 12.278 9.252 -1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.715 8.777 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.536 5.947 -1.737 1.00 0.00 H new ATOM 0 HD22 ASN A 2 13.727 7.647 -2.178 1.00 0.00 H new ATOM 32 N SER A 3 8.696 7.903 -2.100 1.00 0.00 N ATOM 33 CA SER A 3 7.505 7.068 -2.198 1.00 0.00 C ATOM 34 C SER A 3 6.284 7.926 -2.512 1.00 0.00 C ATOM 35 O SER A 3 5.152 7.439 -2.554 1.00 0.00 O ATOM 36 CB SER A 3 7.291 6.307 -0.888 1.00 0.00 C ATOM 37 OG SER A 3 8.461 5.594 -0.522 1.00 0.00 O ATOM 0 H SER A 3 8.775 8.424 -1.227 1.00 0.00 H new ATOM 0 HA SER A 3 7.644 6.350 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.023 7.006 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.457 5.614 -0.997 1.00 0.00 H new ATOM 0 HG SER A 3 9.250 6.148 -0.698 1.00 0.00 H new ATOM 43 N ASP A 4 6.538 9.208 -2.747 1.00 0.00 N ATOM 44 CA ASP A 4 5.487 10.190 -3.000 1.00 0.00 C ATOM 45 C ASP A 4 4.690 9.845 -4.253 1.00 0.00 C ATOM 46 O ASP A 4 3.494 10.120 -4.332 1.00 0.00 O ATOM 47 CB ASP A 4 6.103 11.580 -3.162 1.00 0.00 C ATOM 48 CG ASP A 4 6.913 12.009 -1.956 1.00 0.00 C ATOM 49 OD1 ASP A 4 8.096 11.612 -1.854 1.00 0.00 O ATOM 50 OD2 ASP A 4 6.371 12.746 -1.105 1.00 0.00 O ATOM 0 H ASP A 4 7.480 9.598 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 4 4.809 10.178 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.743 11.588 -4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.309 12.306 -3.337 1.00 0.00 H new ATOM 55 N VAL A 5 5.362 9.229 -5.219 1.00 0.00 N ATOM 56 CA VAL A 5 4.757 8.919 -6.512 1.00 0.00 C ATOM 57 C VAL A 5 3.535 8.009 -6.388 1.00 0.00 C ATOM 58 O VAL A 5 2.523 8.232 -7.054 1.00 0.00 O ATOM 59 CB VAL A 5 5.781 8.274 -7.472 1.00 0.00 C ATOM 60 CG1 VAL A 5 6.811 9.299 -7.911 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.472 7.083 -6.823 1.00 0.00 C ATOM 0 H VAL A 5 6.334 8.932 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 5 4.426 9.873 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 5 5.239 7.916 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.526 8.830 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.311 10.120 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.337 9.684 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.187 6.651 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.997 7.411 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.728 6.333 -6.554 1.00 0.00 H new ATOM 71 N ILE A 6 3.619 7.001 -5.530 1.00 0.00 N ATOM 72 CA ILE A 6 2.546 6.022 -5.408 1.00 0.00 C ATOM 73 C ILE A 6 1.527 6.461 -4.363 1.00 0.00 C ATOM 74 O ILE A 6 0.332 6.215 -4.503 1.00 0.00 O ATOM 75 CB ILE A 6 3.089 4.625 -5.025 1.00 0.00 C ATOM 76 CG1 ILE A 6 4.335 4.285 -5.847 1.00 0.00 C ATOM 77 CG2 ILE A 6 2.013 3.565 -5.241 1.00 0.00 C ATOM 78 CD1 ILE A 6 4.980 2.968 -5.465 1.00 0.00 C ATOM 0 H ILE A 6 4.414 6.840 -4.911 1.00 0.00 H new ATOM 0 HA ILE A 6 2.065 5.957 -6.384 1.00 0.00 H new ATOM 0 HB ILE A 6 3.365 4.641 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.065 4.254 -6.903 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.066 5.085 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.407 2.586 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.147 3.794 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.715 3.557 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.856 2.797 -6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.283 3.001 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.266 2.157 -5.611 1.00 0.00 H new ATOM 90 N LYS A 7 2.004 7.136 -3.328 1.00 0.00 N ATOM 91 CA LYS A 7 1.157 7.504 -2.204 1.00 0.00 C ATOM 92 C LYS A 7 0.310 8.735 -2.527 1.00 0.00 C ATOM 93 O LYS A 7 -0.878 8.787 -2.201 1.00 0.00 O ATOM 94 CB LYS A 7 2.023 7.767 -0.971 1.00 0.00 C ATOM 95 CG LYS A 7 1.236 7.869 0.326 1.00 0.00 C ATOM 96 CD LYS A 7 2.152 8.129 1.511 1.00 0.00 C ATOM 97 CE LYS A 7 2.803 9.499 1.423 1.00 0.00 C ATOM 98 NZ LYS A 7 3.805 9.709 2.498 1.00 0.00 N ATOM 0 H LYS A 7 2.974 7.440 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 7 0.478 6.676 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.756 6.966 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.579 8.693 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.504 8.673 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.680 6.946 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.581 8.055 2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.924 7.360 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.285 9.610 0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.035 10.270 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.225 10.656 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.341 9.629 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.552 8.989 2.422 1.00 0.00 H new ATOM 112 N GLY A 8 0.923 9.712 -3.184 1.00 0.00 N ATOM 113 CA GLY A 8 0.246 10.968 -3.453 1.00 0.00 C ATOM 114 C GLY A 8 -0.780 10.868 -4.565 1.00 0.00 C ATOM 115 O GLY A 8 -1.768 11.601 -4.572 1.00 0.00 O ATOM 0 H GLY A 8 1.879 9.657 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.247 11.310 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.986 11.723 -3.718 1.00 0.00 H new ATOM 119 N LYS A 9 -0.554 9.962 -5.502 1.00 0.00 N ATOM 120 CA LYS A 9 -1.456 9.796 -6.636 1.00 0.00 C ATOM 121 C LYS A 9 -2.020 8.379 -6.669 1.00 0.00 C ATOM 122 O LYS A 9 -2.326 7.836 -7.732 1.00 0.00 O ATOM 123 CB LYS A 9 -0.726 10.129 -7.938 1.00 0.00 C ATOM 124 CG LYS A 9 -0.394 11.607 -8.069 1.00 0.00 C ATOM 125 CD LYS A 9 0.370 11.913 -9.344 1.00 0.00 C ATOM 126 CE LYS A 9 0.577 13.412 -9.510 1.00 0.00 C ATOM 127 NZ LYS A 9 1.384 13.999 -8.403 1.00 0.00 N ATOM 0 H LYS A 9 0.246 9.329 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.293 10.485 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.195 9.549 -7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.343 9.824 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.316 12.188 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.197 11.922 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.336 11.409 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.176 11.520 -10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.075 13.604 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.393 13.908 -9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.627 14.983 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.832 13.977 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.257 13.447 -8.279 1.00 0.00 H new ATOM 141 N TRP A 10 -2.181 7.819 -5.478 1.00 0.00 N ATOM 142 CA TRP A 10 -2.714 6.473 -5.283 1.00 0.00 C ATOM 143 C TRP A 10 -4.027 6.261 -6.038 1.00 0.00 C ATOM 144 O TRP A 10 -4.184 5.279 -6.765 1.00 0.00 O ATOM 145 CB TRP A 10 -2.917 6.243 -3.780 1.00 0.00 C ATOM 146 CG TRP A 10 -3.586 4.948 -3.426 1.00 0.00 C ATOM 147 CD1 TRP A 10 -4.805 4.802 -2.834 1.00 0.00 C ATOM 148 CD2 TRP A 10 -3.076 3.625 -3.628 1.00 0.00 C ATOM 149 NE1 TRP A 10 -5.082 3.472 -2.647 1.00 0.00 N ATOM 150 CE2 TRP A 10 -4.039 2.729 -3.129 1.00 0.00 C ATOM 151 CE3 TRP A 10 -1.901 3.108 -4.182 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -3.864 1.350 -3.161 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -1.729 1.737 -4.214 1.00 0.00 C ATOM 154 CH2 TRP A 10 -2.707 0.872 -3.709 1.00 0.00 C ATOM 0 H TRP A 10 -1.942 8.292 -4.606 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.001 5.753 -5.684 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.946 6.281 -3.287 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.511 7.064 -3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.458 5.615 -2.553 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.928 3.097 -2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.142 3.767 -4.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.615 0.681 -2.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.824 1.326 -4.636 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.544 -0.195 -3.753 1.00 0.00 H new ATOM 165 N LYS A 11 -4.952 7.198 -5.890 1.00 0.00 N ATOM 166 CA LYS A 11 -6.273 7.069 -6.494 1.00 0.00 C ATOM 167 C LYS A 11 -6.192 7.161 -8.016 1.00 0.00 C ATOM 168 O LYS A 11 -7.037 6.617 -8.729 1.00 0.00 O ATOM 169 CB LYS A 11 -7.215 8.145 -5.953 1.00 0.00 C ATOM 170 CG LYS A 11 -7.324 8.150 -4.435 1.00 0.00 C ATOM 171 CD LYS A 11 -8.257 9.246 -3.950 1.00 0.00 C ATOM 172 CE LYS A 11 -8.221 9.396 -2.435 1.00 0.00 C ATOM 173 NZ LYS A 11 -8.589 8.142 -1.729 1.00 0.00 N ATOM 0 H LYS A 11 -4.814 8.057 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.668 6.088 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.867 9.122 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.207 7.996 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.688 7.182 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.335 8.292 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.978 10.192 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.275 9.023 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.221 9.702 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.904 10.191 -2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.615 8.316 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.526 7.825 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.884 7.406 -1.938 1.00 0.00 H new ATOM 187 N GLN A 12 -5.160 7.831 -8.512 1.00 0.00 N ATOM 188 CA GLN A 12 -4.982 7.999 -9.947 1.00 0.00 C ATOM 189 C GLN A 12 -4.303 6.773 -10.549 1.00 0.00 C ATOM 190 O GLN A 12 -4.527 6.429 -11.709 1.00 0.00 O ATOM 191 CB GLN A 12 -4.157 9.256 -10.242 1.00 0.00 C ATOM 192 CG GLN A 12 -3.963 9.522 -11.726 1.00 0.00 C ATOM 193 CD GLN A 12 -3.125 10.752 -11.998 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.647 11.859 -12.110 1.00 0.00 O ATOM 195 NE2 GLN A 12 -1.819 10.567 -12.127 1.00 0.00 N ATOM 0 H GLN A 12 -4.435 8.266 -7.942 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.966 8.112 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.647 10.117 -9.788 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.180 9.159 -9.768 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.488 8.656 -12.186 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.938 9.640 -12.199 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.424 9.632 -12.027 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.209 11.360 -12.326 1.00 0.00 H new ATOM 204 N LEU A 13 -3.488 6.105 -9.747 1.00 0.00 N ATOM 205 CA LEU A 13 -2.723 4.957 -10.216 1.00 0.00 C ATOM 206 C LEU A 13 -3.541 3.669 -10.159 1.00 0.00 C ATOM 207 O LEU A 13 -3.091 2.629 -10.634 1.00 0.00 O ATOM 208 CB LEU A 13 -1.447 4.799 -9.385 1.00 0.00 C ATOM 209 CG LEU A 13 -0.443 5.944 -9.508 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.771 5.684 -8.635 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.020 6.133 -10.954 1.00 0.00 C ATOM 0 H LEU A 13 -3.338 6.338 -8.765 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.460 5.141 -11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.726 4.693 -8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.954 3.872 -9.678 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.927 6.859 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.475 6.510 -8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.459 5.598 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.252 4.757 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.695 6.953 -11.020 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.444 5.217 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.895 6.365 -11.562 1.00 0.00 H new ATOM 223 N THR A 14 -4.742 3.757 -9.593 1.00 0.00 N ATOM 224 CA THR A 14 -5.615 2.595 -9.401 1.00 0.00 C ATOM 225 C THR A 14 -5.731 1.721 -10.656 1.00 0.00 C ATOM 226 O THR A 14 -5.461 0.518 -10.609 1.00 0.00 O ATOM 227 CB THR A 14 -7.025 3.046 -8.970 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.482 4.111 -9.818 1.00 0.00 O ATOM 229 CG2 THR A 14 -7.030 3.511 -7.523 1.00 0.00 C ATOM 0 H THR A 14 -5.140 4.633 -9.254 1.00 0.00 H new ATOM 0 HA THR A 14 -5.154 1.993 -8.618 1.00 0.00 H new ATOM 0 HB THR A 14 -7.696 2.192 -9.063 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.317 4.972 -9.380 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.036 3.824 -7.245 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.712 2.693 -6.877 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.345 4.351 -7.408 1.00 0.00 H new ATOM 237 N GLY A 15 -6.119 2.333 -11.771 1.00 0.00 N ATOM 238 CA GLY A 15 -6.306 1.597 -13.008 1.00 0.00 C ATOM 239 C GLY A 15 -5.031 0.933 -13.500 1.00 0.00 C ATOM 240 O GLY A 15 -5.053 -0.216 -13.936 1.00 0.00 O ATOM 0 H GLY A 15 -6.308 3.333 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.072 0.836 -12.860 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.676 2.276 -13.776 1.00 0.00 H new ATOM 244 N LYS A 16 -3.919 1.654 -13.428 1.00 0.00 N ATOM 245 CA LYS A 16 -2.627 1.119 -13.856 1.00 0.00 C ATOM 246 C LYS A 16 -2.173 -0.018 -12.949 1.00 0.00 C ATOM 247 O LYS A 16 -1.626 -1.018 -13.417 1.00 0.00 O ATOM 248 CB LYS A 16 -1.570 2.224 -13.878 1.00 0.00 C ATOM 249 CG LYS A 16 -1.774 3.230 -14.995 1.00 0.00 C ATOM 250 CD LYS A 16 -0.751 4.353 -14.943 1.00 0.00 C ATOM 251 CE LYS A 16 -0.893 5.285 -16.135 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.265 5.846 -16.249 1.00 0.00 N ATOM 0 H LYS A 16 -3.883 2.611 -13.078 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.749 0.724 -14.865 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.581 2.747 -12.922 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.584 1.771 -13.982 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.706 2.722 -15.957 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.777 3.650 -14.926 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.875 4.919 -14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.254 3.932 -14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.175 6.100 -16.044 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.647 4.744 -17.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.273 6.600 -16.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.926 5.093 -16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.557 6.238 -15.331 1.00 0.00 H new ATOM 266 N ILE A 17 -2.408 0.133 -11.655 1.00 0.00 N ATOM 267 CA ILE A 17 -2.025 -0.882 -10.688 1.00 0.00 C ATOM 268 C ILE A 17 -2.821 -2.167 -10.906 1.00 0.00 C ATOM 269 O ILE A 17 -2.251 -3.258 -10.950 1.00 0.00 O ATOM 270 CB ILE A 17 -2.225 -0.381 -9.243 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.296 0.802 -8.962 1.00 0.00 C ATOM 272 CG2 ILE A 17 -1.971 -1.506 -8.251 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.499 1.430 -7.600 1.00 0.00 C ATOM 0 H ILE A 17 -2.863 0.951 -11.250 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.966 -1.093 -10.837 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.257 -0.049 -9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.262 0.468 -9.047 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.449 1.562 -9.728 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.116 -1.136 -7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.666 -2.323 -8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.948 -1.866 -8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.805 2.261 -7.475 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.522 1.797 -7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.317 0.685 -6.825 1.00 0.00 H new ATOM 285 N LYS A 18 -4.130 -2.027 -11.075 1.00 0.00 N ATOM 286 CA LYS A 18 -5.001 -3.178 -11.287 1.00 0.00 C ATOM 287 C LYS A 18 -4.749 -3.797 -12.660 1.00 0.00 C ATOM 288 O LYS A 18 -5.097 -4.947 -12.910 1.00 0.00 O ATOM 289 CB LYS A 18 -6.470 -2.770 -11.160 1.00 0.00 C ATOM 290 CG LYS A 18 -7.419 -3.948 -10.986 1.00 0.00 C ATOM 291 CD LYS A 18 -8.871 -3.501 -10.989 1.00 0.00 C ATOM 292 CE LYS A 18 -9.804 -4.612 -10.533 1.00 0.00 C ATOM 293 NZ LYS A 18 -9.594 -5.875 -11.290 1.00 0.00 N ATOM 0 H LYS A 18 -4.612 -1.128 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.775 -3.920 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.579 -2.098 -10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.760 -2.209 -12.048 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.258 -4.668 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.197 -4.460 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.987 -2.637 -10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.151 -3.180 -11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.650 -4.799 -9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.837 -4.287 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.477 -6.424 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.313 -5.652 -12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.845 -6.433 -10.833 1.00 0.00 H new ATOM 307 N GLU A 19 -4.144 -3.020 -13.549 1.00 0.00 N ATOM 308 CA GLU A 19 -3.809 -3.506 -14.876 1.00 0.00 C ATOM 309 C GLU A 19 -2.556 -4.376 -14.812 1.00 0.00 C ATOM 310 O GLU A 19 -2.341 -5.251 -15.653 1.00 0.00 O ATOM 311 CB GLU A 19 -3.600 -2.327 -15.831 1.00 0.00 C ATOM 312 CG GLU A 19 -3.598 -2.724 -17.296 1.00 0.00 C ATOM 313 CD GLU A 19 -4.870 -3.443 -17.699 1.00 0.00 C ATOM 314 OE1 GLU A 19 -5.955 -2.833 -17.610 1.00 0.00 O ATOM 315 OE2 GLU A 19 -4.792 -4.618 -18.116 1.00 0.00 O ATOM 0 H GLU A 19 -3.876 -2.052 -13.373 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.633 -4.112 -15.253 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.387 -1.591 -15.664 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.653 -1.841 -15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.477 -1.833 -17.911 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.741 -3.368 -17.495 1.00 0.00 H new ATOM 322 N ARG A 20 -1.723 -4.128 -13.808 1.00 0.00 N ATOM 323 CA ARG A 20 -0.558 -4.962 -13.570 1.00 0.00 C ATOM 324 C ARG A 20 -0.964 -6.160 -12.729 1.00 0.00 C ATOM 325 O ARG A 20 -0.716 -7.310 -13.097 1.00 0.00 O ATOM 326 CB ARG A 20 0.553 -4.179 -12.863 1.00 0.00 C ATOM 327 CG ARG A 20 1.845 -4.973 -12.735 1.00 0.00 C ATOM 328 CD ARG A 20 2.977 -4.133 -12.164 1.00 0.00 C ATOM 329 NE ARG A 20 4.212 -4.907 -12.018 1.00 0.00 N ATOM 330 CZ ARG A 20 5.393 -4.523 -12.500 1.00 0.00 C ATOM 331 NH1 ARG A 20 5.502 -3.381 -13.169 1.00 0.00 N ATOM 332 NH2 ARG A 20 6.465 -5.285 -12.316 1.00 0.00 N ATOM 0 H ARG A 20 -1.835 -3.358 -13.149 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.169 -5.297 -14.532 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.750 -3.259 -13.414 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.211 -3.888 -11.870 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.677 -5.838 -12.094 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.135 -5.354 -13.714 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.159 -3.278 -12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.680 -3.736 -11.193 1.00 0.00 H new ATOM 0 HE ARG A 20 4.165 -5.794 -11.517 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.680 -2.795 -13.315 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.408 -3.090 -13.537 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.384 -6.164 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.369 -4.991 -12.685 1.00 0.00 H new ATOM 346 N TRP A 21 -1.612 -5.875 -11.611 1.00 0.00 N ATOM 347 CA TRP A 21 -2.092 -6.911 -10.714 1.00 0.00 C ATOM 348 C TRP A 21 -3.615 -6.927 -10.730 1.00 0.00 C ATOM 349 O TRP A 21 -4.267 -6.168 -10.010 1.00 0.00 O ATOM 350 CB TRP A 21 -1.565 -6.674 -9.296 1.00 0.00 C ATOM 351 CG TRP A 21 -0.087 -6.416 -9.258 1.00 0.00 C ATOM 352 CD1 TRP A 21 0.899 -7.240 -9.713 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.571 -5.252 -8.742 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.129 -6.657 -9.521 1.00 0.00 N ATOM 355 CE2 TRP A 21 1.953 -5.439 -8.922 1.00 0.00 C ATOM 356 CE3 TRP A 21 0.127 -4.073 -8.145 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.890 -4.484 -8.535 1.00 0.00 C ATOM 358 CZ3 TRP A 21 1.058 -3.128 -7.758 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.425 -3.340 -7.953 1.00 0.00 C ATOM 0 H TRP A 21 -1.819 -4.925 -11.302 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.725 -7.880 -11.051 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.088 -5.825 -8.856 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.793 -7.543 -8.679 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.737 -8.210 -10.159 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.026 -7.065 -9.782 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.928 -3.901 -7.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.947 -4.643 -8.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.723 -2.210 -7.297 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.128 -2.584 -7.637 1.00 0.00 H new ATOM 370 N GLY A 22 -4.169 -7.789 -11.571 1.00 0.00 N ATOM 371 CA GLY A 22 -5.598 -7.793 -11.818 1.00 0.00 C ATOM 372 C GLY A 22 -6.422 -8.259 -10.633 1.00 0.00 C ATOM 373 O GLY A 22 -7.593 -7.892 -10.516 1.00 0.00 O ATOM 0 H GLY A 22 -3.648 -8.494 -12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.912 -6.787 -12.094 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.808 -8.438 -12.671 1.00 0.00 H new ATOM 377 N ASP A 23 -5.818 -9.053 -9.753 1.00 0.00 N ATOM 378 CA ASP A 23 -6.547 -9.633 -8.625 1.00 0.00 C ATOM 379 C ASP A 23 -6.866 -8.576 -7.573 1.00 0.00 C ATOM 380 O ASP A 23 -7.855 -8.685 -6.849 1.00 0.00 O ATOM 381 CB ASP A 23 -5.756 -10.784 -7.998 1.00 0.00 C ATOM 382 CG ASP A 23 -6.544 -11.505 -6.922 1.00 0.00 C ATOM 383 OD1 ASP A 23 -7.595 -12.095 -7.249 1.00 0.00 O ATOM 384 OD2 ASP A 23 -6.112 -11.497 -5.754 1.00 0.00 O ATOM 0 H ASP A 23 -4.832 -9.309 -9.797 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.488 -10.027 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.474 -11.494 -8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.832 -10.396 -7.570 1.00 0.00 H new ATOM 389 N LEU A 24 -6.033 -7.543 -7.501 1.00 0.00 N ATOM 390 CA LEU A 24 -6.291 -6.422 -6.604 1.00 0.00 C ATOM 391 C LEU A 24 -7.562 -5.703 -7.037 1.00 0.00 C ATOM 392 O LEU A 24 -7.656 -5.223 -8.165 1.00 0.00 O ATOM 393 CB LEU A 24 -5.112 -5.447 -6.603 1.00 0.00 C ATOM 394 CG LEU A 24 -3.819 -5.992 -5.996 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.693 -4.985 -6.162 1.00 0.00 C ATOM 396 CD2 LEU A 24 -4.021 -6.320 -4.525 1.00 0.00 C ATOM 0 H LEU A 24 -5.178 -7.459 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.418 -6.806 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.912 -5.142 -7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.403 -4.551 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.548 -6.908 -6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.779 -5.386 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.533 -4.789 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.959 -4.056 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.091 -6.707 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.312 -5.417 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.804 -7.071 -4.424 1.00 0.00 H new ATOM 408 N THR A 25 -8.545 -5.648 -6.153 1.00 0.00 N ATOM 409 CA THR A 25 -9.840 -5.093 -6.504 1.00 0.00 C ATOM 410 C THR A 25 -9.826 -3.570 -6.480 1.00 0.00 C ATOM 411 O THR A 25 -8.880 -2.947 -5.987 1.00 0.00 O ATOM 412 CB THR A 25 -10.946 -5.592 -5.556 1.00 0.00 C ATOM 413 OG1 THR A 25 -10.680 -5.152 -4.217 1.00 0.00 O ATOM 414 CG2 THR A 25 -11.048 -7.108 -5.598 1.00 0.00 C ATOM 0 H THR A 25 -8.471 -5.980 -5.191 1.00 0.00 H new ATOM 0 HA THR A 25 -10.052 -5.434 -7.517 1.00 0.00 H new ATOM 0 HB THR A 25 -11.898 -5.175 -5.886 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.972 -5.705 -3.825 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.836 -7.439 -4.921 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.284 -7.429 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.098 -7.545 -5.291 1.00 0.00 H new ATOM 422 N ASP A 26 -10.894 -2.979 -7.005 1.00 0.00 N ATOM 423 CA ASP A 26 -11.069 -1.532 -6.985 1.00 0.00 C ATOM 424 C ASP A 26 -11.322 -1.057 -5.562 1.00 0.00 C ATOM 425 O ASP A 26 -11.310 0.139 -5.282 1.00 0.00 O ATOM 426 CB ASP A 26 -12.239 -1.116 -7.881 1.00 0.00 C ATOM 427 CG ASP A 26 -12.039 -1.500 -9.331 1.00 0.00 C ATOM 428 OD1 ASP A 26 -11.414 -0.722 -10.078 1.00 0.00 O ATOM 429 OD2 ASP A 26 -12.516 -2.581 -9.734 1.00 0.00 O ATOM 0 H ASP A 26 -11.657 -3.486 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.157 -1.072 -7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.155 -1.578 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.376 -0.037 -7.812 1.00 0.00 H new ATOM 434 N ASP A 27 -11.574 -2.008 -4.673 1.00 0.00 N ATOM 435 CA ASP A 27 -11.766 -1.709 -3.261 1.00 0.00 C ATOM 436 C ASP A 27 -10.420 -1.663 -2.553 1.00 0.00 C ATOM 437 O ASP A 27 -10.111 -0.698 -1.854 1.00 0.00 O ATOM 438 CB ASP A 27 -12.665 -2.759 -2.605 1.00 0.00 C ATOM 439 CG ASP A 27 -12.855 -2.514 -1.122 1.00 0.00 C ATOM 440 OD1 ASP A 27 -13.684 -1.651 -0.761 1.00 0.00 O ATOM 441 OD2 ASP A 27 -12.179 -3.184 -0.311 1.00 0.00 O ATOM 0 H ASP A 27 -11.650 -2.998 -4.907 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.250 -0.736 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.637 -2.759 -3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.232 -3.748 -2.754 1.00 0.00 H new ATOM 446 N ASP A 28 -9.616 -2.706 -2.762 1.00 0.00 N ATOM 447 CA ASP A 28 -8.283 -2.792 -2.165 1.00 0.00 C ATOM 448 C ASP A 28 -7.436 -1.593 -2.567 1.00 0.00 C ATOM 449 O ASP A 28 -6.747 -0.995 -1.744 1.00 0.00 O ATOM 450 CB ASP A 28 -7.559 -4.076 -2.599 1.00 0.00 C ATOM 451 CG ASP A 28 -8.236 -5.344 -2.117 1.00 0.00 C ATOM 452 OD1 ASP A 28 -8.335 -5.542 -0.891 1.00 0.00 O ATOM 453 OD2 ASP A 28 -8.667 -6.153 -2.969 1.00 0.00 O ATOM 0 H ASP A 28 -9.866 -3.506 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.415 -2.804 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.496 -4.098 -3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.537 -4.053 -2.221 1.00 0.00 H new ATOM 458 N LEU A 29 -7.521 -1.229 -3.837 1.00 0.00 N ATOM 459 CA LEU A 29 -6.695 -0.163 -4.389 1.00 0.00 C ATOM 460 C LEU A 29 -7.323 1.210 -4.170 1.00 0.00 C ATOM 461 O LEU A 29 -6.903 2.191 -4.775 1.00 0.00 O ATOM 462 CB LEU A 29 -6.478 -0.397 -5.883 1.00 0.00 C ATOM 463 CG LEU A 29 -5.798 -1.719 -6.239 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.654 -1.854 -7.747 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.443 -1.821 -5.557 1.00 0.00 C ATOM 0 H LEU A 29 -8.157 -1.658 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.738 -0.180 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.444 -0.356 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.877 0.421 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.423 -2.537 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.168 -2.801 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.640 -1.827 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.050 -1.031 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.973 -2.768 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.808 -0.997 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.575 -1.771 -4.476 1.00 0.00 H new ATOM 477 N GLN A 30 -8.320 1.289 -3.302 1.00 0.00 N ATOM 478 CA GLN A 30 -8.994 2.554 -3.050 1.00 0.00 C ATOM 479 C GLN A 30 -9.324 2.691 -1.567 1.00 0.00 C ATOM 480 O GLN A 30 -10.152 3.515 -1.169 1.00 0.00 O ATOM 481 CB GLN A 30 -10.267 2.627 -3.895 1.00 0.00 C ATOM 482 CG GLN A 30 -10.771 4.039 -4.145 1.00 0.00 C ATOM 483 CD GLN A 30 -11.990 4.068 -5.044 1.00 0.00 C ATOM 484 OE1 GLN A 30 -12.100 3.087 -5.923 1.00 0.00 O flip ATOM 485 NE2 GLN A 30 -12.829 4.964 -4.945 1.00 0.00 N flip ATOM 0 H GLN A 30 -8.678 0.500 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.335 3.377 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.080 2.145 -4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.052 2.056 -3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.015 4.509 -3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.975 4.631 -4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.706 5.703 -4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.646 4.967 -5.555 1.00 0.00 H new ATOM 494 N ALA A 31 -8.651 1.890 -0.751 1.00 0.00 N ATOM 495 CA ALA A 31 -8.918 1.863 0.678 1.00 0.00 C ATOM 496 C ALA A 31 -8.090 2.907 1.430 1.00 0.00 C ATOM 497 O ALA A 31 -8.552 4.026 1.657 1.00 0.00 O ATOM 498 CB ALA A 31 -8.665 0.469 1.232 1.00 0.00 C ATOM 0 H ALA A 31 -7.917 1.251 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.967 2.117 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.868 0.461 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.320 -0.245 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.625 0.191 1.058 1.00 0.00 H new ATOM 504 N ALA A 32 -6.860 2.551 1.792 1.00 0.00 N ATOM 505 CA ALA A 32 -6.029 3.423 2.618 1.00 0.00 C ATOM 506 C ALA A 32 -5.182 4.371 1.774 1.00 0.00 C ATOM 507 O ALA A 32 -5.656 5.423 1.342 1.00 0.00 O ATOM 508 CB ALA A 32 -5.153 2.597 3.555 1.00 0.00 C ATOM 0 H ALA A 32 -6.419 1.670 1.528 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.697 4.040 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.541 3.263 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.785 1.992 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.506 1.945 2.968 1.00 0.00 H new ATOM 514 N ASP A 33 -3.939 3.988 1.521 1.00 0.00 N ATOM 515 CA ASP A 33 -3.006 4.836 0.792 1.00 0.00 C ATOM 516 C ASP A 33 -2.092 3.978 -0.068 1.00 0.00 C ATOM 517 O ASP A 33 -2.293 2.769 -0.171 1.00 0.00 O ATOM 518 CB ASP A 33 -2.168 5.682 1.759 1.00 0.00 C ATOM 519 CG ASP A 33 -1.234 4.848 2.614 1.00 0.00 C ATOM 520 OD1 ASP A 33 -0.155 4.465 2.122 1.00 0.00 O ATOM 521 OD2 ASP A 33 -1.570 4.577 3.785 1.00 0.00 O ATOM 0 H ASP A 33 -3.551 3.090 1.811 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.579 5.508 0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.583 6.404 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.834 6.252 2.407 1.00 0.00 H new ATOM 526 N GLY A 34 -1.076 4.595 -0.658 1.00 0.00 N ATOM 527 CA GLY A 34 -0.213 3.873 -1.567 1.00 0.00 C ATOM 528 C GLY A 34 1.257 3.935 -1.205 1.00 0.00 C ATOM 529 O GLY A 34 2.107 4.018 -2.088 1.00 0.00 O ATOM 0 H GLY A 34 -0.837 5.577 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.525 2.829 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.346 4.273 -2.572 1.00 0.00 H new ATOM 533 N HIS A 35 1.582 3.907 0.078 1.00 0.00 N ATOM 534 CA HIS A 35 2.982 3.797 0.464 1.00 0.00 C ATOM 535 C HIS A 35 3.421 2.343 0.288 1.00 0.00 C ATOM 536 O HIS A 35 2.617 1.426 0.469 1.00 0.00 O ATOM 537 CB HIS A 35 3.237 4.322 1.893 1.00 0.00 C ATOM 538 CG HIS A 35 2.875 3.391 3.014 1.00 0.00 C ATOM 539 ND1 HIS A 35 1.581 3.089 3.365 1.00 0.00 N ATOM 540 CD2 HIS A 35 3.661 2.710 3.875 1.00 0.00 C ATOM 541 CE1 HIS A 35 1.589 2.262 4.391 1.00 0.00 C ATOM 542 NE2 HIS A 35 2.837 2.015 4.721 1.00 0.00 N ATOM 0 H HIS A 35 0.918 3.957 0.851 1.00 0.00 H new ATOM 0 HA HIS A 35 3.586 4.432 -0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.294 4.572 1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.678 5.249 2.023 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.745 3.449 2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.741 2.713 3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.716 1.855 4.879 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.142 1.407 5.481 1.00 0.00 H new ATOM 551 N ALA A 36 4.687 2.147 -0.070 1.00 0.00 N ATOM 552 CA ALA A 36 5.203 0.842 -0.506 1.00 0.00 C ATOM 553 C ALA A 36 4.817 -0.309 0.424 1.00 0.00 C ATOM 554 O ALA A 36 4.475 -1.398 -0.043 1.00 0.00 O ATOM 555 CB ALA A 36 6.713 0.907 -0.658 1.00 0.00 C ATOM 0 H ALA A 36 5.389 2.887 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 36 4.736 0.629 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.088 -0.064 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.972 1.662 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.164 1.170 0.299 1.00 0.00 H new ATOM 561 N GLU A 37 4.865 -0.067 1.731 1.00 0.00 N ATOM 562 CA GLU A 37 4.545 -1.102 2.717 1.00 0.00 C ATOM 563 C GLU A 37 3.135 -1.657 2.519 1.00 0.00 C ATOM 564 O GLU A 37 2.893 -2.846 2.734 1.00 0.00 O ATOM 565 CB GLU A 37 4.672 -0.553 4.137 1.00 0.00 C ATOM 566 CG GLU A 37 6.041 0.016 4.455 1.00 0.00 C ATOM 567 CD GLU A 37 7.154 -0.981 4.211 1.00 0.00 C ATOM 568 OE1 GLU A 37 7.134 -2.063 4.829 1.00 0.00 O ATOM 569 OE2 GLU A 37 8.043 -0.701 3.379 1.00 0.00 O ATOM 0 H GLU A 37 5.122 0.834 2.134 1.00 0.00 H new ATOM 0 HA GLU A 37 5.260 -1.911 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.923 0.225 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.447 -1.350 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.213 0.903 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.065 0.335 5.497 1.00 0.00 H new ATOM 576 N TYR A 38 2.212 -0.802 2.092 1.00 0.00 N ATOM 577 CA TYR A 38 0.826 -1.213 1.923 1.00 0.00 C ATOM 578 C TYR A 38 0.688 -2.131 0.718 1.00 0.00 C ATOM 579 O TYR A 38 -0.023 -3.137 0.778 1.00 0.00 O ATOM 580 CB TYR A 38 -0.092 0.003 1.774 1.00 0.00 C ATOM 581 CG TYR A 38 -1.560 -0.361 1.702 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.252 -0.756 2.839 1.00 0.00 C ATOM 583 CD2 TYR A 38 -2.250 -0.318 0.495 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.589 -1.097 2.777 1.00 0.00 C ATOM 585 CE2 TYR A 38 -3.587 -0.659 0.427 1.00 0.00 C ATOM 586 CZ TYR A 38 -4.250 -1.048 1.570 1.00 0.00 C ATOM 587 OH TYR A 38 -5.580 -1.391 1.509 1.00 0.00 O ATOM 0 H TYR A 38 2.398 0.173 1.858 1.00 0.00 H new ATOM 0 HA TYR A 38 0.524 -1.760 2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.068 0.676 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.184 0.550 0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.737 -0.797 3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.733 -0.013 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.114 -1.401 3.671 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.110 -0.621 -0.517 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.899 -1.303 0.586 1.00 0.00 H new ATOM 597 N LEU A 39 1.379 -1.788 -0.367 1.00 0.00 N ATOM 598 CA LEU A 39 1.377 -2.618 -1.565 1.00 0.00 C ATOM 599 C LEU A 39 1.900 -4.005 -1.244 1.00 0.00 C ATOM 600 O LEU A 39 1.232 -4.998 -1.514 1.00 0.00 O ATOM 601 CB LEU A 39 2.220 -1.989 -2.678 1.00 0.00 C ATOM 602 CG LEU A 39 1.558 -0.828 -3.413 1.00 0.00 C ATOM 603 CD1 LEU A 39 2.533 -0.180 -4.383 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.317 -1.305 -4.152 1.00 0.00 C ATOM 0 H LEU A 39 1.945 -0.943 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 39 0.348 -2.693 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.158 -1.639 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.471 -2.763 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 39 1.260 -0.083 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.041 0.646 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.396 0.197 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.863 -0.918 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.143 -0.464 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.597 -2.070 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.393 -1.723 -3.439 1.00 0.00 H new ATOM 616 N VAL A 40 3.084 -4.057 -0.642 1.00 0.00 N ATOM 617 CA VAL A 40 3.703 -5.322 -0.263 1.00 0.00 C ATOM 618 C VAL A 40 2.743 -6.168 0.571 1.00 0.00 C ATOM 619 O VAL A 40 2.564 -7.361 0.311 1.00 0.00 O ATOM 620 CB VAL A 40 5.013 -5.091 0.523 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.618 -6.412 0.978 1.00 0.00 C ATOM 622 CG2 VAL A 40 6.010 -4.319 -0.331 1.00 0.00 C ATOM 0 H VAL A 40 3.636 -3.233 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 40 3.940 -5.857 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 40 4.778 -4.503 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.539 -6.220 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.911 -6.933 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.838 -7.030 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.929 -4.163 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.232 -4.887 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.584 -3.354 -0.605 1.00 0.00 H new ATOM 632 N GLY A 41 2.102 -5.533 1.546 1.00 0.00 N ATOM 633 CA GLY A 41 1.147 -6.225 2.386 1.00 0.00 C ATOM 634 C GLY A 41 -0.027 -6.775 1.596 1.00 0.00 C ATOM 635 O GLY A 41 -0.378 -7.949 1.729 1.00 0.00 O ATOM 0 H GLY A 41 2.229 -4.546 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.648 -7.043 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.778 -5.542 3.151 1.00 0.00 H new ATOM 639 N LYS A 42 -0.620 -5.933 0.752 1.00 0.00 N ATOM 640 CA LYS A 42 -1.776 -6.328 -0.046 1.00 0.00 C ATOM 641 C LYS A 42 -1.405 -7.374 -1.092 1.00 0.00 C ATOM 642 O LYS A 42 -2.222 -8.215 -1.450 1.00 0.00 O ATOM 643 CB LYS A 42 -2.403 -5.107 -0.726 1.00 0.00 C ATOM 644 CG LYS A 42 -3.440 -4.397 0.128 1.00 0.00 C ATOM 645 CD LYS A 42 -4.654 -5.281 0.356 1.00 0.00 C ATOM 646 CE LYS A 42 -5.726 -4.579 1.174 1.00 0.00 C ATOM 647 NZ LYS A 42 -6.926 -5.440 1.358 1.00 0.00 N ATOM 0 H LYS A 42 -0.317 -4.970 0.604 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.505 -6.772 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.614 -4.401 -0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.868 -5.422 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.000 -4.122 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.746 -3.471 -0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.070 -5.580 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.347 -6.193 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.321 -4.306 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.015 -3.652 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.686 -4.886 1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.247 -5.791 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.685 -6.246 1.969 1.00 0.00 H new ATOM 661 N LEU A 43 -0.175 -7.322 -1.577 1.00 0.00 N ATOM 662 CA LEU A 43 0.294 -8.284 -2.565 1.00 0.00 C ATOM 663 C LEU A 43 0.475 -9.662 -1.934 1.00 0.00 C ATOM 664 O LEU A 43 0.135 -10.682 -2.540 1.00 0.00 O ATOM 665 CB LEU A 43 1.591 -7.787 -3.205 1.00 0.00 C ATOM 666 CG LEU A 43 1.431 -6.513 -4.039 1.00 0.00 C ATOM 667 CD1 LEU A 43 2.782 -5.909 -4.382 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.638 -6.803 -5.306 1.00 0.00 C ATOM 0 H LEU A 43 0.518 -6.625 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.457 -8.380 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.324 -7.604 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.995 -8.575 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 43 0.881 -5.786 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.637 -5.006 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.313 -5.659 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.367 -6.628 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.533 -5.887 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.162 -7.552 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.350 -7.178 -5.039 1.00 0.00 H new ATOM 680 N GLN A 44 0.984 -9.691 -0.705 1.00 0.00 N ATOM 681 CA GLN A 44 1.119 -10.946 0.031 1.00 0.00 C ATOM 682 C GLN A 44 -0.250 -11.437 0.490 1.00 0.00 C ATOM 683 O GLN A 44 -0.463 -12.633 0.681 1.00 0.00 O ATOM 684 CB GLN A 44 2.039 -10.782 1.246 1.00 0.00 C ATOM 685 CG GLN A 44 3.449 -10.330 0.898 1.00 0.00 C ATOM 686 CD GLN A 44 4.362 -10.242 2.109 1.00 0.00 C ATOM 687 OE1 GLN A 44 5.245 -9.390 2.172 1.00 0.00 O ATOM 688 NE2 GLN A 44 4.181 -11.135 3.072 1.00 0.00 N ATOM 0 H GLN A 44 1.308 -8.866 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 44 1.563 -11.680 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.595 -10.059 1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.094 -11.732 1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.879 -11.024 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.402 -9.355 0.414 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.439 -11.830 2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.784 -11.127 3.895 1.00 0.00 H new ATOM 697 N GLU A 45 -1.173 -10.502 0.661 1.00 0.00 N ATOM 698 CA GLU A 45 -2.527 -10.818 1.098 1.00 0.00 C ATOM 699 C GLU A 45 -3.360 -11.372 -0.058 1.00 0.00 C ATOM 700 O GLU A 45 -3.909 -12.469 0.026 1.00 0.00 O ATOM 701 CB GLU A 45 -3.195 -9.561 1.666 1.00 0.00 C ATOM 702 CG GLU A 45 -4.613 -9.780 2.165 1.00 0.00 C ATOM 703 CD GLU A 45 -5.224 -8.523 2.748 1.00 0.00 C ATOM 704 OE1 GLU A 45 -4.857 -8.153 3.885 1.00 0.00 O ATOM 705 OE2 GLU A 45 -6.078 -7.902 2.080 1.00 0.00 O ATOM 0 H GLU A 45 -1.007 -9.508 0.502 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.468 -11.582 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.588 -9.180 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.208 -8.790 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.234 -10.134 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.611 -10.564 2.922 1.00 0.00 H new ATOM 712 N ARG A 46 -3.438 -10.603 -1.135 1.00 0.00 N ATOM 713 CA ARG A 46 -4.282 -10.945 -2.273 1.00 0.00 C ATOM 714 C ARG A 46 -3.698 -12.115 -3.062 1.00 0.00 C ATOM 715 O ARG A 46 -4.344 -13.149 -3.223 1.00 0.00 O ATOM 716 CB ARG A 46 -4.447 -9.722 -3.178 1.00 0.00 C ATOM 717 CG ARG A 46 -5.893 -9.405 -3.532 1.00 0.00 C ATOM 718 CD ARG A 46 -6.751 -9.262 -2.286 1.00 0.00 C ATOM 719 NE ARG A 46 -8.089 -8.757 -2.589 1.00 0.00 N ATOM 720 CZ ARG A 46 -9.152 -9.531 -2.808 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.021 -10.847 -2.906 1.00 0.00 N ATOM 722 NH2 ARG A 46 -10.345 -8.979 -2.971 1.00 0.00 N ATOM 0 H ARG A 46 -2.922 -9.730 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.259 -11.251 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.006 -8.856 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.886 -9.885 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.933 -8.482 -4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.296 -10.196 -4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.834 -10.230 -1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.260 -8.587 -1.585 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.218 -7.746 -2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.100 -11.276 -2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.841 -11.430 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.448 -7.965 -2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.161 -9.568 -3.139 1.00 0.00 H new ATOM 736 N TYR A 47 -2.470 -11.957 -3.533 1.00 0.00 N ATOM 737 CA TYR A 47 -1.826 -12.997 -4.326 1.00 0.00 C ATOM 738 C TYR A 47 -1.177 -14.039 -3.431 1.00 0.00 C ATOM 739 O TYR A 47 -1.423 -15.235 -3.573 1.00 0.00 O ATOM 740 CB TYR A 47 -0.776 -12.393 -5.259 1.00 0.00 C ATOM 741 CG TYR A 47 -1.356 -11.709 -6.473 1.00 0.00 C ATOM 742 CD1 TYR A 47 -1.841 -10.409 -6.402 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.413 -12.367 -7.695 1.00 0.00 C ATOM 744 CE1 TYR A 47 -2.365 -9.785 -7.516 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.937 -11.749 -8.813 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.411 -10.459 -8.717 1.00 0.00 C ATOM 747 OH TYR A 47 -2.929 -9.838 -9.828 1.00 0.00 O ATOM 0 H TYR A 47 -1.901 -11.124 -3.382 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.597 -13.481 -4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.179 -11.673 -4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.099 -13.182 -5.587 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.808 -9.879 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.042 -13.378 -7.772 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.737 -8.774 -7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.975 -12.273 -9.756 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.888 -10.449 -10.593 1.00 0.00 H new ATOM 757 N GLY A 48 -0.360 -13.573 -2.501 1.00 0.00 N ATOM 758 CA GLY A 48 0.345 -14.481 -1.621 1.00 0.00 C ATOM 759 C GLY A 48 1.793 -14.640 -2.019 1.00 0.00 C ATOM 760 O GLY A 48 2.347 -15.739 -1.967 1.00 0.00 O ATOM 0 H GLY A 48 -0.172 -12.584 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.288 -14.111 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.145 -15.455 -1.636 1.00 0.00 H new ATOM 764 N TRP A 49 2.405 -13.542 -2.438 1.00 0.00 N ATOM 765 CA TRP A 49 3.808 -13.550 -2.818 1.00 0.00 C ATOM 766 C TRP A 49 4.687 -13.409 -1.590 1.00 0.00 C ATOM 767 O TRP A 49 4.197 -13.135 -0.493 1.00 0.00 O ATOM 768 CB TRP A 49 4.113 -12.410 -3.788 1.00 0.00 C ATOM 769 CG TRP A 49 3.389 -12.510 -5.094 1.00 0.00 C ATOM 770 CD1 TRP A 49 2.910 -13.642 -5.687 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.091 -11.430 -5.983 1.00 0.00 C ATOM 772 NE1 TRP A 49 2.320 -13.330 -6.887 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.421 -11.976 -7.093 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.323 -10.052 -5.945 1.00 0.00 C ATOM 775 CZ2 TRP A 49 1.980 -11.191 -8.156 1.00 0.00 C ATOM 776 CZ3 TRP A 49 2.887 -9.275 -6.999 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.223 -9.844 -8.092 1.00 0.00 C ATOM 0 H TRP A 49 1.950 -12.633 -2.523 1.00 0.00 H new ATOM 0 HA TRP A 49 4.017 -14.501 -3.309 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.854 -11.464 -3.313 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.186 -12.388 -3.980 1.00 0.00 H new ATOM 0 HD1 TRP A 49 2.984 -14.637 -5.273 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.879 -13.995 -7.522 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.834 -9.604 -5.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.466 -11.628 -8.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.061 -8.209 -6.980 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.896 -9.208 -8.901 1.00 0.00 H new ATOM 788 N SER A 50 5.981 -13.609 -1.769 1.00 0.00 N ATOM 789 CA SER A 50 6.930 -13.387 -0.702 1.00 0.00 C ATOM 790 C SER A 50 7.269 -11.902 -0.608 1.00 0.00 C ATOM 791 O SER A 50 6.976 -11.128 -1.527 1.00 0.00 O ATOM 792 CB SER A 50 8.192 -14.224 -0.929 1.00 0.00 C ATOM 793 OG SER A 50 8.832 -13.887 -2.151 1.00 0.00 O ATOM 0 H SER A 50 6.395 -13.925 -2.646 1.00 0.00 H new ATOM 0 HA SER A 50 6.484 -13.699 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.884 -14.071 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.931 -15.282 -0.934 1.00 0.00 H new ATOM 0 HG SER A 50 9.804 -13.921 -2.031 1.00 0.00 H new ATOM 799 N LYS A 51 7.886 -11.517 0.496 1.00 0.00 N ATOM 800 CA LYS A 51 8.213 -10.123 0.762 1.00 0.00 C ATOM 801 C LYS A 51 9.132 -9.580 -0.325 1.00 0.00 C ATOM 802 O LYS A 51 8.935 -8.471 -0.822 1.00 0.00 O ATOM 803 CB LYS A 51 8.881 -10.018 2.136 1.00 0.00 C ATOM 804 CG LYS A 51 8.569 -8.741 2.905 1.00 0.00 C ATOM 805 CD LYS A 51 9.303 -7.530 2.351 1.00 0.00 C ATOM 806 CE LYS A 51 9.062 -6.308 3.223 1.00 0.00 C ATOM 807 NZ LYS A 51 9.797 -5.111 2.740 1.00 0.00 N ATOM 0 H LYS A 51 8.175 -12.160 1.234 1.00 0.00 H new ATOM 0 HA LYS A 51 7.300 -9.527 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.574 -10.872 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.961 -10.092 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.495 -8.556 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.839 -8.877 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.371 -7.739 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.966 -7.329 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.995 -6.089 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.367 -6.530 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.640 -4.319 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.814 -5.324 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.452 -4.850 1.794 1.00 0.00 H new ATOM 821 N GLU A 52 10.121 -10.380 -0.704 1.00 0.00 N ATOM 822 CA GLU A 52 11.083 -9.987 -1.732 1.00 0.00 C ATOM 823 C GLU A 52 10.389 -9.816 -3.079 1.00 0.00 C ATOM 824 O GLU A 52 10.662 -8.865 -3.811 1.00 0.00 O ATOM 825 CB GLU A 52 12.208 -11.022 -1.887 1.00 0.00 C ATOM 826 CG GLU A 52 12.524 -11.819 -0.633 1.00 0.00 C ATOM 827 CD GLU A 52 11.506 -12.912 -0.380 1.00 0.00 C ATOM 828 OE1 GLU A 52 11.521 -13.925 -1.106 1.00 0.00 O ATOM 829 OE2 GLU A 52 10.669 -12.745 0.523 1.00 0.00 O ATOM 0 H GLU A 52 10.280 -11.309 -0.314 1.00 0.00 H new ATOM 0 HA GLU A 52 11.518 -9.040 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.935 -11.716 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.113 -10.507 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.515 -12.262 -0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.555 -11.147 0.225 1.00 0.00 H new ATOM 836 N ARG A 53 9.489 -10.743 -3.398 1.00 0.00 N ATOM 837 CA ARG A 53 8.793 -10.715 -4.677 1.00 0.00 C ATOM 838 C ARG A 53 7.903 -9.481 -4.771 1.00 0.00 C ATOM 839 O ARG A 53 7.811 -8.844 -5.821 1.00 0.00 O ATOM 840 CB ARG A 53 7.952 -11.979 -4.867 1.00 0.00 C ATOM 841 CG ARG A 53 7.435 -12.140 -6.291 1.00 0.00 C ATOM 842 CD ARG A 53 6.553 -13.368 -6.452 1.00 0.00 C ATOM 843 NE ARG A 53 7.195 -14.592 -5.970 1.00 0.00 N ATOM 844 CZ ARG A 53 8.031 -15.339 -6.693 1.00 0.00 C ATOM 845 NH1 ARG A 53 8.374 -14.975 -7.922 1.00 0.00 N ATOM 846 NH2 ARG A 53 8.530 -16.458 -6.185 1.00 0.00 N ATOM 0 H ARG A 53 9.227 -11.519 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 53 9.542 -10.674 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.551 -12.851 -4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.106 -11.953 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.870 -11.251 -6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.280 -12.211 -6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.620 -13.214 -5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.294 -13.489 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 53 6.989 -14.894 -5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.998 -14.116 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.014 -15.554 -8.465 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.275 -16.748 -5.241 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.169 -17.029 -6.738 1.00 0.00 H new ATOM 860 N ALA A 54 7.256 -9.146 -3.661 1.00 0.00 N ATOM 861 CA ALA A 54 6.424 -7.957 -3.594 1.00 0.00 C ATOM 862 C ALA A 54 7.279 -6.705 -3.772 1.00 0.00 C ATOM 863 O ALA A 54 6.917 -5.800 -4.526 1.00 0.00 O ATOM 864 CB ALA A 54 5.671 -7.915 -2.274 1.00 0.00 C ATOM 0 H ALA A 54 7.294 -9.684 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 54 5.694 -7.991 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.051 -7.019 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.038 -8.798 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.383 -7.898 -1.449 1.00 0.00 H new ATOM 870 N GLU A 55 8.423 -6.675 -3.086 1.00 0.00 N ATOM 871 CA GLU A 55 9.381 -5.577 -3.218 1.00 0.00 C ATOM 872 C GLU A 55 9.779 -5.371 -4.675 1.00 0.00 C ATOM 873 O GLU A 55 9.829 -4.240 -5.161 1.00 0.00 O ATOM 874 CB GLU A 55 10.638 -5.859 -2.388 1.00 0.00 C ATOM 875 CG GLU A 55 10.464 -5.628 -0.898 1.00 0.00 C ATOM 876 CD GLU A 55 10.274 -4.165 -0.558 1.00 0.00 C ATOM 877 OE1 GLU A 55 10.955 -3.311 -1.173 1.00 0.00 O ATOM 878 OE2 GLU A 55 9.472 -3.861 0.353 1.00 0.00 O ATOM 0 H GLU A 55 8.709 -7.402 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 55 8.898 -4.672 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.943 -6.893 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.449 -5.227 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.603 -6.195 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.337 -6.010 -0.370 1.00 0.00 H new ATOM 885 N GLN A 56 10.062 -6.471 -5.363 1.00 0.00 N ATOM 886 CA GLN A 56 10.454 -6.425 -6.765 1.00 0.00 C ATOM 887 C GLN A 56 9.366 -5.770 -7.610 1.00 0.00 C ATOM 888 O GLN A 56 9.627 -4.828 -8.358 1.00 0.00 O ATOM 889 CB GLN A 56 10.739 -7.838 -7.284 1.00 0.00 C ATOM 890 CG GLN A 56 11.209 -7.870 -8.728 1.00 0.00 C ATOM 891 CD GLN A 56 11.425 -9.277 -9.253 1.00 0.00 C ATOM 892 OE1 GLN A 56 10.518 -9.893 -9.818 1.00 0.00 O ATOM 893 NE2 GLN A 56 12.628 -9.797 -9.073 1.00 0.00 N ATOM 0 H GLN A 56 10.027 -7.411 -4.969 1.00 0.00 H new ATOM 0 HA GLN A 56 11.362 -5.827 -6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.497 -8.302 -6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.835 -8.440 -7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.474 -7.364 -9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.140 -7.310 -8.813 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.352 -9.256 -8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.831 -10.739 -9.406 1.00 0.00 H new ATOM 902 N GLU A 57 8.143 -6.264 -7.458 1.00 0.00 N ATOM 903 CA GLU A 57 7.006 -5.778 -8.232 1.00 0.00 C ATOM 904 C GLU A 57 6.714 -4.302 -7.967 1.00 0.00 C ATOM 905 O GLU A 57 6.541 -3.522 -8.904 1.00 0.00 O ATOM 906 CB GLU A 57 5.776 -6.630 -7.935 1.00 0.00 C ATOM 907 CG GLU A 57 5.717 -7.903 -8.756 1.00 0.00 C ATOM 908 CD GLU A 57 5.601 -7.622 -10.239 1.00 0.00 C ATOM 909 OE1 GLU A 57 4.503 -7.240 -10.692 1.00 0.00 O ATOM 910 OE2 GLU A 57 6.607 -7.774 -10.964 1.00 0.00 O ATOM 0 H GLU A 57 7.912 -7.008 -6.799 1.00 0.00 H new ATOM 0 HA GLU A 57 7.262 -5.865 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.768 -6.888 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.879 -6.041 -8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.613 -8.496 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.865 -8.502 -8.434 1.00 0.00 H new ATOM 917 N VAL A 58 6.670 -3.919 -6.697 1.00 0.00 N ATOM 918 CA VAL A 58 6.401 -2.534 -6.326 1.00 0.00 C ATOM 919 C VAL A 58 7.480 -1.605 -6.879 1.00 0.00 C ATOM 920 O VAL A 58 7.185 -0.549 -7.440 1.00 0.00 O ATOM 921 CB VAL A 58 6.320 -2.369 -4.793 1.00 0.00 C ATOM 922 CG1 VAL A 58 6.146 -0.907 -4.407 1.00 0.00 C ATOM 923 CG2 VAL A 58 5.185 -3.207 -4.225 1.00 0.00 C ATOM 0 H VAL A 58 6.817 -4.547 -5.907 1.00 0.00 H new ATOM 0 HA VAL A 58 5.438 -2.265 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 58 7.260 -2.721 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.092 -0.821 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.995 -0.330 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.227 -0.521 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.143 -3.078 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.241 -2.887 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.356 -4.258 -4.459 1.00 0.00 H new ATOM 933 N ARG A 59 8.726 -2.026 -6.738 1.00 0.00 N ATOM 934 CA ARG A 59 9.862 -1.218 -7.149 1.00 0.00 C ATOM 935 C ARG A 59 9.925 -1.087 -8.669 1.00 0.00 C ATOM 936 O ARG A 59 10.211 -0.010 -9.195 1.00 0.00 O ATOM 937 CB ARG A 59 11.142 -1.838 -6.593 1.00 0.00 C ATOM 938 CG ARG A 59 12.402 -1.035 -6.848 1.00 0.00 C ATOM 939 CD ARG A 59 13.490 -1.417 -5.854 1.00 0.00 C ATOM 940 NE ARG A 59 13.267 -0.799 -4.543 1.00 0.00 N ATOM 941 CZ ARG A 59 12.701 -1.407 -3.492 1.00 0.00 C ATOM 942 NH1 ARG A 59 12.252 -2.655 -3.580 1.00 0.00 N ATOM 943 NH2 ARG A 59 12.577 -0.752 -2.347 1.00 0.00 N ATOM 0 H ARG A 59 8.977 -2.930 -6.339 1.00 0.00 H new ATOM 0 HA ARG A 59 9.750 -0.211 -6.748 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.026 -1.973 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.266 -2.830 -7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.753 -1.211 -7.865 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.184 0.030 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.519 -2.501 -5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.461 -1.109 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 59 13.566 0.169 -4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.336 -3.166 -4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.824 -3.101 -2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.911 0.209 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.147 -1.208 -1.542 1.00 0.00 H new ATOM 957 N ASP A 60 9.627 -2.174 -9.372 1.00 0.00 N ATOM 958 CA ASP A 60 9.624 -2.161 -10.832 1.00 0.00 C ATOM 959 C ASP A 60 8.446 -1.347 -11.365 1.00 0.00 C ATOM 960 O ASP A 60 8.516 -0.769 -12.448 1.00 0.00 O ATOM 961 CB ASP A 60 9.574 -3.588 -11.385 1.00 0.00 C ATOM 962 CG ASP A 60 9.550 -3.626 -12.902 1.00 0.00 C ATOM 963 OD1 ASP A 60 10.526 -3.160 -13.535 1.00 0.00 O ATOM 964 OD2 ASP A 60 8.555 -4.121 -13.469 1.00 0.00 O ATOM 0 H ASP A 60 9.385 -3.074 -8.957 1.00 0.00 H new ATOM 0 HA ASP A 60 10.549 -1.690 -11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.440 -4.144 -11.025 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.688 -4.093 -10.999 1.00 0.00 H new ATOM 969 N PHE A 61 7.365 -1.298 -10.595 1.00 0.00 N ATOM 970 CA PHE A 61 6.209 -0.488 -10.959 1.00 0.00 C ATOM 971 C PHE A 61 6.523 0.994 -10.758 1.00 0.00 C ATOM 972 O PHE A 61 6.222 1.826 -11.616 1.00 0.00 O ATOM 973 CB PHE A 61 4.984 -0.898 -10.132 1.00 0.00 C ATOM 974 CG PHE A 61 3.751 -0.099 -10.440 1.00 0.00 C ATOM 975 CD1 PHE A 61 3.067 -0.286 -11.631 1.00 0.00 C ATOM 976 CD2 PHE A 61 3.277 0.842 -9.540 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.936 0.450 -11.919 1.00 0.00 C ATOM 978 CE2 PHE A 61 2.146 1.582 -9.822 1.00 0.00 C ATOM 979 CZ PHE A 61 1.474 1.385 -11.012 1.00 0.00 C ATOM 0 H PHE A 61 7.265 -1.808 -9.717 1.00 0.00 H new ATOM 0 HA PHE A 61 5.980 -0.656 -12.011 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.775 -1.953 -10.308 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.220 -0.792 -9.073 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.424 -1.017 -12.342 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.798 0.998 -8.607 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.413 0.296 -12.851 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.788 2.314 -9.113 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.588 1.961 -11.234 1.00 0.00 H new ATOM 989 N SER A 62 7.158 1.307 -9.634 1.00 0.00 N ATOM 990 CA SER A 62 7.544 2.679 -9.318 1.00 0.00 C ATOM 991 C SER A 62 8.578 3.190 -10.322 1.00 0.00 C ATOM 992 O SER A 62 8.754 4.397 -10.495 1.00 0.00 O ATOM 993 CB SER A 62 8.103 2.751 -7.891 1.00 0.00 C ATOM 994 OG SER A 62 8.318 4.090 -7.483 1.00 0.00 O ATOM 0 H SER A 62 7.418 0.625 -8.922 1.00 0.00 H new ATOM 0 HA SER A 62 6.661 3.315 -9.383 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.410 2.267 -7.203 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.041 2.199 -7.839 1.00 0.00 H new ATOM 0 HG SER A 62 8.673 4.101 -6.570 1.00 0.00 H new ATOM 1000 N ASP A 63 9.250 2.255 -10.985 1.00 0.00 N ATOM 1001 CA ASP A 63 10.237 2.573 -12.011 1.00 0.00 C ATOM 1002 C ASP A 63 9.593 3.271 -13.210 1.00 0.00 C ATOM 1003 O ASP A 63 10.230 4.076 -13.892 1.00 0.00 O ATOM 1004 CB ASP A 63 10.930 1.285 -12.464 1.00 0.00 C ATOM 1005 CG ASP A 63 11.776 1.468 -13.707 1.00 0.00 C ATOM 1006 OD1 ASP A 63 12.913 1.968 -13.589 1.00 0.00 O ATOM 1007 OD2 ASP A 63 11.312 1.096 -14.807 1.00 0.00 O ATOM 0 H ASP A 63 9.126 1.255 -10.826 1.00 0.00 H new ATOM 0 HA ASP A 63 10.970 3.258 -11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.560 0.915 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.175 0.522 -12.655 1.00 0.00 H new ATOM 1012 N ARG A 64 8.323 2.977 -13.452 1.00 0.00 N ATOM 1013 CA ARG A 64 7.630 3.490 -14.629 1.00 0.00 C ATOM 1014 C ARG A 64 6.713 4.664 -14.263 1.00 0.00 C ATOM 1015 O ARG A 64 5.922 5.132 -15.081 1.00 0.00 O ATOM 1016 CB ARG A 64 6.819 2.360 -15.273 1.00 0.00 C ATOM 1017 CG ARG A 64 6.293 2.687 -16.660 1.00 0.00 C ATOM 1018 CD ARG A 64 5.470 1.542 -17.219 1.00 0.00 C ATOM 1019 NE ARG A 64 4.963 1.833 -18.556 1.00 0.00 N ATOM 1020 CZ ARG A 64 4.273 0.963 -19.289 1.00 0.00 C ATOM 1021 NH1 ARG A 64 4.002 -0.248 -18.808 1.00 0.00 N ATOM 1022 NH2 ARG A 64 3.860 1.300 -20.504 1.00 0.00 N ATOM 0 H ARG A 64 7.750 2.386 -12.850 1.00 0.00 H new ATOM 0 HA ARG A 64 8.371 3.858 -15.339 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.443 1.468 -15.334 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.977 2.116 -14.625 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.683 3.589 -16.617 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.128 2.898 -17.328 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.080 0.639 -17.252 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.633 1.337 -16.551 1.00 0.00 H new ATOM 0 HE ARG A 64 5.148 2.755 -18.951 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.323 -0.510 -17.876 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.473 -0.914 -19.371 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.071 2.226 -20.876 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.331 0.633 -21.066 1.00 0.00 H new ATOM 1036 N LEU A 65 6.829 5.144 -13.035 1.00 0.00 N ATOM 1037 CA LEU A 65 5.981 6.232 -12.563 1.00 0.00 C ATOM 1038 C LEU A 65 6.641 7.586 -12.798 1.00 0.00 C ATOM 1039 O LEU A 65 7.635 7.894 -12.106 1.00 0.00 O ATOM 1040 CB LEU A 65 5.651 6.049 -11.083 1.00 0.00 C ATOM 1041 CG LEU A 65 4.839 4.797 -10.757 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.534 4.738 -9.273 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.553 4.768 -11.566 1.00 0.00 C ATOM 1044 OXT LEU A 65 6.161 8.340 -13.671 1.00 0.00 O ATOM 0 H LEU A 65 7.499 4.800 -12.347 1.00 0.00 H new ATOM 0 HA LEU A 65 5.053 6.206 -13.134 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.583 6.017 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.099 6.923 -10.738 1.00 0.00 H new ATOM 0 HG LEU A 65 5.432 3.922 -11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.955 3.840 -9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.467 4.713 -8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.960 5.619 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.988 3.869 -11.320 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.955 5.648 -11.330 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.792 4.766 -12.629 1.00 0.00 H new TER 1056 LEU A 65