USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 809 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 82 SER OG : rot -88:sc= -1.9! USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= -12.7! C(o=-16!,f=-15!) USER MOD Single : A 1 ASP N :NH3+ 171:sc= 0.968 (180deg=0.69) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -173:sc= -1.04 USER MOD Single : A 12 ASN : amide:sc= -2.29 X(o=-2.3,f=-2.3) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -0.0473 (180deg=-0.42) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -5.79! (180deg=-6.82!) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.275 F(o=-0.92!,f=-0.28) USER MOD Single : A 23 GLN :FLIP amide:sc= -3.05! C(o=-11!,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= -0.148 (180deg=-1.28) USER MOD Single : A 26 SER OG : rot -129:sc= -3.23! USER MOD Single : A 27 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.067) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc=-0.00595 (180deg=-0.148) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 125:sc= -6.34! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 22:sc= -0.401! USER MOD Single : A 41 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.56) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000662) USER MOD Single : A 57 THR OG1 : rot -160:sc= -1.25 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -42:sc= -0.332 USER MOD Single : A 64 GLN : amide:sc= 0.584 K(o=0.58,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc=-0.00371 USER MOD Single : A 79 HIS : no HE2:sc= -3.45 K(o=-3.4,f=-4.6!) USER MOD Single : A 83 SER OG : rot 74:sc= 0.357 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 101 GLN : amide:sc= -1.43! C(o=-1.4!,f=-1.4!) USER MOD Single : A 102 ASN : amide:sc= -0.312 K(o=-0.31,f=-3.4!) USER MOD Single : A 104 ASN :FLIP amide:sc= -1.16! C(o=-2!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.884 -13.973 -5.094 1.00 0.00 N ATOM 2 CA ASP A 1 9.562 -14.286 -5.695 1.00 0.00 C ATOM 3 C ASP A 1 8.754 -13.018 -5.936 1.00 0.00 C ATOM 4 O ASP A 1 8.649 -12.168 -5.075 1.00 0.00 O ATOM 5 CB ASP A 1 8.786 -15.186 -4.722 1.00 0.00 C ATOM 6 CG ASP A 1 9.014 -14.701 -3.289 1.00 0.00 C ATOM 7 OD1 ASP A 1 9.364 -13.541 -3.158 1.00 0.00 O ATOM 8 OD2 ASP A 1 8.826 -15.522 -2.405 1.00 0.00 O ATOM 0 H1 ASP A 1 11.350 -14.855 -4.801 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.477 -13.485 -5.795 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.752 -13.359 -4.265 1.00 0.00 H new ATOM 0 HA ASP A 1 9.721 -14.783 -6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 1 7.722 -15.165 -4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.115 -16.220 -4.824 1.00 0.00 H new ATOM 13 N TRP A 2 8.202 -12.920 -7.110 1.00 0.00 N ATOM 14 CA TRP A 2 7.395 -11.733 -7.453 1.00 0.00 C ATOM 15 C TRP A 2 6.000 -11.822 -6.837 1.00 0.00 C ATOM 16 O TRP A 2 5.108 -12.406 -7.405 1.00 0.00 O ATOM 17 CB TRP A 2 7.264 -11.690 -8.994 1.00 0.00 C ATOM 18 CG TRP A 2 8.093 -10.537 -9.542 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.175 -10.058 -8.961 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.773 -9.837 -10.598 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.499 -8.995 -9.721 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.646 -8.786 -10.789 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.741 -10.046 -11.490 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.477 -7.941 -11.865 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.583 -9.206 -12.564 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.449 -8.154 -12.753 1.00 0.00 C ATOM 0 H TRP A 2 8.279 -13.619 -7.848 1.00 0.00 H new ATOM 0 HA TRP A 2 7.879 -10.837 -7.066 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.603 -12.632 -9.425 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.219 -11.567 -9.277 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.682 -10.430 -8.083 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.302 -8.397 -9.526 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.058 -10.870 -11.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 9.153 -7.111 -12.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.776 -9.371 -13.263 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.321 -7.495 -13.599 1.00 0.00 H new ATOM 37 N VAL A 3 5.847 -11.239 -5.670 1.00 0.00 N ATOM 38 CA VAL A 3 4.519 -11.278 -5.002 1.00 0.00 C ATOM 39 C VAL A 3 4.404 -10.195 -3.921 1.00 0.00 C ATOM 40 O VAL A 3 4.993 -10.310 -2.866 1.00 0.00 O ATOM 41 CB VAL A 3 4.344 -12.658 -4.330 1.00 0.00 C ATOM 42 CG1 VAL A 3 3.910 -13.689 -5.376 1.00 0.00 C ATOM 43 CG2 VAL A 3 5.678 -13.102 -3.711 1.00 0.00 C ATOM 0 H VAL A 3 6.580 -10.745 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 3 3.750 -11.102 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 3 3.584 -12.583 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.787 -14.662 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.964 -13.381 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.670 -13.760 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.553 -14.076 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.436 -13.173 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.993 -12.373 -2.964 1.00 0.00 H new ATOM 53 N ILE A 4 3.647 -9.158 -4.202 1.00 0.00 N ATOM 54 CA ILE A 4 3.499 -8.078 -3.183 1.00 0.00 C ATOM 55 C ILE A 4 2.126 -7.390 -3.294 1.00 0.00 C ATOM 56 O ILE A 4 1.974 -6.370 -3.933 1.00 0.00 O ATOM 57 CB ILE A 4 4.598 -7.035 -3.437 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.515 -5.928 -2.393 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.380 -6.407 -4.833 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.003 -6.465 -1.042 1.00 0.00 C ATOM 0 H ILE A 4 3.137 -9.017 -5.074 1.00 0.00 H new ATOM 0 HA ILE A 4 3.583 -8.513 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 4 5.572 -7.520 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.123 -5.077 -2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.489 -5.571 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.155 -5.665 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.429 -7.186 -5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.402 -5.927 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.944 -5.675 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.376 -7.302 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.036 -6.800 -1.135 1.00 0.00 H new ATOM 72 N PRO A 5 1.147 -7.981 -2.653 1.00 0.00 N ATOM 73 CA PRO A 5 -0.217 -7.436 -2.668 1.00 0.00 C ATOM 74 C PRO A 5 -0.377 -6.083 -1.911 1.00 0.00 C ATOM 75 O PRO A 5 -1.036 -5.184 -2.393 1.00 0.00 O ATOM 76 CB PRO A 5 -1.080 -8.527 -1.988 1.00 0.00 C ATOM 77 CG PRO A 5 -0.139 -9.735 -1.660 1.00 0.00 C ATOM 78 CD PRO A 5 1.297 -9.303 -2.012 1.00 0.00 C ATOM 0 HA PRO A 5 -0.511 -7.209 -3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.539 -8.141 -1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.891 -8.840 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.212 -10.005 -0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.428 -10.615 -2.235 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.921 -9.242 -1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.771 -10.017 -2.685 1.00 0.00 H new ATOM 86 N PRO A 6 0.229 -5.973 -0.741 1.00 0.00 N ATOM 87 CA PRO A 6 0.145 -4.748 0.064 1.00 0.00 C ATOM 88 C PRO A 6 0.996 -3.601 -0.487 1.00 0.00 C ATOM 89 O PRO A 6 2.074 -3.810 -1.008 1.00 0.00 O ATOM 90 CB PRO A 6 0.699 -5.156 1.444 1.00 0.00 C ATOM 91 CG PRO A 6 1.296 -6.585 1.292 1.00 0.00 C ATOM 92 CD PRO A 6 1.009 -7.047 -0.147 1.00 0.00 C ATOM 0 HA PRO A 6 -0.881 -4.379 0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.463 -4.453 1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.091 -5.146 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.368 -6.577 1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.847 -7.268 2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.934 -7.215 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.457 -7.987 -0.157 1.00 0.00 H new ATOM 100 N ILE A 7 0.479 -2.406 -0.349 1.00 0.00 N ATOM 101 CA ILE A 7 1.209 -1.208 -0.841 1.00 0.00 C ATOM 102 C ILE A 7 0.956 -0.037 0.107 1.00 0.00 C ATOM 103 O ILE A 7 0.109 -0.125 0.974 1.00 0.00 O ATOM 104 CB ILE A 7 0.693 -0.837 -2.239 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.957 -1.974 -3.235 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.438 0.419 -2.716 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.449 -2.012 -3.617 1.00 0.00 C ATOM 0 H ILE A 7 -0.423 -2.212 0.086 1.00 0.00 H new ATOM 0 HA ILE A 7 2.276 -1.425 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.381 -0.659 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.662 -2.927 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.349 -1.833 -4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.084 0.697 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.252 1.238 -2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.508 0.214 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.623 -2.823 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.732 -1.064 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.050 -2.176 -2.722 1.00 0.00 H new ATOM 119 N SER A 8 1.688 1.039 -0.074 1.00 0.00 N ATOM 120 CA SER A 8 1.492 2.222 0.819 1.00 0.00 C ATOM 121 C SER A 8 1.423 3.520 0.024 1.00 0.00 C ATOM 122 O SER A 8 2.157 3.705 -0.927 1.00 0.00 O ATOM 123 CB SER A 8 2.693 2.296 1.781 1.00 0.00 C ATOM 124 OG SER A 8 3.811 1.964 0.968 1.00 0.00 O ATOM 0 H SER A 8 2.404 1.147 -0.793 1.00 0.00 H new ATOM 0 HA SER A 8 0.551 2.104 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.796 3.291 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.582 1.598 2.611 1.00 0.00 H new ATOM 0 HG SER A 8 4.628 1.990 1.509 1.00 0.00 H new ATOM 130 N CYS A 9 0.525 4.401 0.431 1.00 0.00 N ATOM 131 CA CYS A 9 0.387 5.703 -0.289 1.00 0.00 C ATOM 132 C CYS A 9 0.259 6.889 0.704 1.00 0.00 C ATOM 133 O CYS A 9 -0.574 6.865 1.588 1.00 0.00 O ATOM 134 CB CYS A 9 -0.892 5.640 -1.127 1.00 0.00 C ATOM 135 SG CYS A 9 -0.786 4.818 -2.733 1.00 0.00 S ATOM 0 H CYS A 9 -0.107 4.270 1.221 1.00 0.00 H new ATOM 0 HA CYS A 9 1.272 5.862 -0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.657 5.134 -0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.239 6.660 -1.292 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.905 4.975 -3.376 1.00 0.00 H new ATOM 141 N PRO A 10 1.102 7.919 0.535 1.00 0.00 N ATOM 142 CA PRO A 10 1.068 9.094 1.417 1.00 0.00 C ATOM 143 C PRO A 10 -0.243 9.881 1.287 1.00 0.00 C ATOM 144 O PRO A 10 -0.971 9.745 0.309 1.00 0.00 O ATOM 145 CB PRO A 10 2.240 9.981 0.940 1.00 0.00 C ATOM 146 CG PRO A 10 2.851 9.306 -0.322 1.00 0.00 C ATOM 147 CD PRO A 10 2.138 7.960 -0.509 1.00 0.00 C ATOM 0 HA PRO A 10 1.144 8.792 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.890 10.986 0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.991 10.079 1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.715 9.938 -1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.924 9.159 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.697 7.883 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.835 7.128 -0.404 1.00 0.00 H new ATOM 155 N GLU A 11 -0.510 10.697 2.281 1.00 0.00 N ATOM 156 CA GLU A 11 -1.756 11.512 2.263 1.00 0.00 C ATOM 157 C GLU A 11 -1.439 13.002 2.298 1.00 0.00 C ATOM 158 O GLU A 11 -0.358 13.403 2.678 1.00 0.00 O ATOM 159 CB GLU A 11 -2.583 11.160 3.511 1.00 0.00 C ATOM 160 CG GLU A 11 -1.724 11.357 4.761 1.00 0.00 C ATOM 161 CD GLU A 11 -2.384 10.644 5.942 1.00 0.00 C ATOM 162 OE1 GLU A 11 -2.203 9.440 6.017 1.00 0.00 O ATOM 163 OE2 GLU A 11 -3.033 11.343 6.703 1.00 0.00 O ATOM 0 H GLU A 11 0.083 10.830 3.100 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.305 11.294 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.470 11.791 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.929 10.128 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.722 10.960 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.614 12.420 4.978 1.00 0.00 H new ATOM 170 N ASN A 12 -2.398 13.788 1.890 1.00 0.00 N ATOM 171 CA ASN A 12 -2.210 15.266 1.878 1.00 0.00 C ATOM 172 C ASN A 12 -1.118 15.689 0.898 1.00 0.00 C ATOM 173 O ASN A 12 -1.058 16.833 0.497 1.00 0.00 O ATOM 174 CB ASN A 12 -1.802 15.728 3.290 1.00 0.00 C ATOM 175 CG ASN A 12 -2.576 14.926 4.338 1.00 0.00 C ATOM 176 OD1 ASN A 12 -3.706 14.534 4.128 1.00 0.00 O ATOM 177 ND2 ASN A 12 -2.001 14.663 5.483 1.00 0.00 N ATOM 0 H ASN A 12 -3.309 13.467 1.563 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.149 15.723 1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.730 15.592 3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.006 16.792 3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.502 14.131 6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.052 14.990 5.664 1.00 0.00 H new ATOM 184 N GLU A 13 -0.272 14.763 0.532 1.00 0.00 N ATOM 185 CA GLU A 13 0.818 15.108 -0.421 1.00 0.00 C ATOM 186 C GLU A 13 0.299 15.985 -1.556 1.00 0.00 C ATOM 187 O GLU A 13 -0.430 15.525 -2.402 1.00 0.00 O ATOM 188 CB GLU A 13 1.367 13.800 -1.026 1.00 0.00 C ATOM 189 CG GLU A 13 2.531 14.124 -1.973 1.00 0.00 C ATOM 190 CD GLU A 13 3.836 14.164 -1.176 1.00 0.00 C ATOM 191 OE1 GLU A 13 4.302 13.086 -0.850 1.00 0.00 O ATOM 192 OE2 GLU A 13 4.292 15.272 -0.940 1.00 0.00 O ATOM 0 H GLU A 13 -0.289 13.794 0.849 1.00 0.00 H new ATOM 0 HA GLU A 13 1.593 15.654 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.704 13.133 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.578 13.278 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.595 13.372 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.361 15.083 -2.462 1.00 0.00 H new ATOM 199 N LYS A 14 0.693 17.237 -1.549 1.00 0.00 N ATOM 200 CA LYS A 14 0.233 18.163 -2.626 1.00 0.00 C ATOM 201 C LYS A 14 1.410 18.939 -3.204 1.00 0.00 C ATOM 202 O LYS A 14 2.324 19.306 -2.493 1.00 0.00 O ATOM 203 CB LYS A 14 -0.814 19.146 -2.034 1.00 0.00 C ATOM 204 CG LYS A 14 -0.123 20.298 -1.283 1.00 0.00 C ATOM 205 CD LYS A 14 0.592 19.755 -0.048 1.00 0.00 C ATOM 206 CE LYS A 14 1.124 20.932 0.765 1.00 0.00 C ATOM 207 NZ LYS A 14 2.112 21.712 -0.033 1.00 0.00 N ATOM 0 H LYS A 14 1.308 17.652 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.219 17.583 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.434 19.549 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.478 18.611 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.592 20.795 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.859 21.046 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.094 19.159 0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.411 19.099 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.298 21.578 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.592 20.568 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.659 22.330 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.757 21.059 -0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.610 22.293 -0.735 1.00 0.00 H new ATOM 221 N GLY A 15 1.373 19.167 -4.490 1.00 0.00 N ATOM 222 CA GLY A 15 2.489 19.920 -5.131 1.00 0.00 C ATOM 223 C GLY A 15 2.790 19.357 -6.523 1.00 0.00 C ATOM 224 O GLY A 15 1.998 19.488 -7.436 1.00 0.00 O ATOM 0 H GLY A 15 0.627 18.868 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.226 20.975 -5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.381 19.859 -4.508 1.00 0.00 H new ATOM 228 N GLU A 16 3.933 18.741 -6.649 1.00 0.00 N ATOM 229 CA GLU A 16 4.315 18.160 -7.963 1.00 0.00 C ATOM 230 C GLU A 16 3.718 16.766 -8.145 1.00 0.00 C ATOM 231 O GLU A 16 3.556 16.024 -7.197 1.00 0.00 O ATOM 232 CB GLU A 16 5.847 18.052 -8.012 1.00 0.00 C ATOM 233 CG GLU A 16 6.311 18.133 -9.468 1.00 0.00 C ATOM 234 CD GLU A 16 6.360 19.599 -9.903 1.00 0.00 C ATOM 235 OE1 GLU A 16 5.501 20.330 -9.439 1.00 0.00 O ATOM 236 OE2 GLU A 16 7.255 19.904 -10.674 1.00 0.00 O ATOM 0 H GLU A 16 4.615 18.616 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 16 3.936 18.802 -8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.299 18.854 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.172 17.112 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.296 17.677 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.630 17.574 -10.110 1.00 0.00 H new ATOM 243 N PHE A 17 3.410 16.438 -9.370 1.00 0.00 N ATOM 244 CA PHE A 17 2.822 15.105 -9.656 1.00 0.00 C ATOM 245 C PHE A 17 3.218 14.650 -11.063 1.00 0.00 C ATOM 246 O PHE A 17 3.588 15.455 -11.894 1.00 0.00 O ATOM 247 CB PHE A 17 1.287 15.245 -9.579 1.00 0.00 C ATOM 248 CG PHE A 17 0.835 15.023 -8.132 1.00 0.00 C ATOM 249 CD1 PHE A 17 0.949 16.040 -7.204 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.317 13.802 -7.728 1.00 0.00 C ATOM 251 CE1 PHE A 17 0.555 15.841 -5.901 1.00 0.00 C ATOM 252 CE2 PHE A 17 -0.075 13.608 -6.422 1.00 0.00 C ATOM 253 CZ PHE A 17 0.044 14.624 -5.511 1.00 0.00 C ATOM 0 H PHE A 17 3.541 17.038 -10.184 1.00 0.00 H new ATOM 0 HA PHE A 17 3.183 14.370 -8.937 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.982 16.234 -9.921 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.810 14.519 -10.238 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.350 16.997 -7.503 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.220 12.998 -8.442 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.647 16.642 -5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.477 12.653 -6.116 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.263 14.470 -4.487 1.00 0.00 H new ATOM 263 N PRO A 18 3.131 13.357 -11.309 1.00 0.00 N ATOM 264 CA PRO A 18 2.715 12.366 -10.307 1.00 0.00 C ATOM 265 C PRO A 18 3.809 12.079 -9.284 1.00 0.00 C ATOM 266 O PRO A 18 4.844 12.717 -9.280 1.00 0.00 O ATOM 267 CB PRO A 18 2.454 11.083 -11.125 1.00 0.00 C ATOM 268 CG PRO A 18 2.948 11.353 -12.580 1.00 0.00 C ATOM 269 CD PRO A 18 3.398 12.819 -12.642 1.00 0.00 C ATOM 0 HA PRO A 18 1.852 12.724 -9.745 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.984 10.235 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.393 10.833 -11.119 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.772 10.687 -12.837 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.150 11.165 -13.298 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.456 12.896 -12.893 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.848 13.368 -13.406 1.00 0.00 H new ATOM 277 N LYS A 19 3.546 11.114 -8.430 1.00 0.00 N ATOM 278 CA LYS A 19 4.541 10.747 -7.387 1.00 0.00 C ATOM 279 C LYS A 19 4.745 9.236 -7.360 1.00 0.00 C ATOM 280 O LYS A 19 3.810 8.484 -7.171 1.00 0.00 O ATOM 281 CB LYS A 19 4.009 11.200 -6.019 1.00 0.00 C ATOM 282 CG LYS A 19 5.166 11.235 -5.020 1.00 0.00 C ATOM 283 CD LYS A 19 4.639 10.875 -3.631 1.00 0.00 C ATOM 284 CE LYS A 19 4.883 9.388 -3.372 1.00 0.00 C ATOM 285 NZ LYS A 19 4.022 8.556 -4.259 1.00 0.00 N ATOM 0 H LYS A 19 2.684 10.569 -8.416 1.00 0.00 H new ATOM 0 HA LYS A 19 5.492 11.231 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.553 12.186 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.233 10.517 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.944 10.533 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.620 12.226 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.140 11.476 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.574 11.099 -3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.932 9.150 -3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.672 9.155 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.418 7.597 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.061 8.506 -3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.984 8.983 -5.206 1.00 0.00 H new ATOM 299 N ASN A 20 5.966 8.819 -7.548 1.00 0.00 N ATOM 300 CA ASN A 20 6.253 7.360 -7.537 1.00 0.00 C ATOM 301 C ASN A 20 6.104 6.775 -6.143 1.00 0.00 C ATOM 302 O ASN A 20 6.357 7.442 -5.159 1.00 0.00 O ATOM 303 CB ASN A 20 7.698 7.154 -8.004 1.00 0.00 C ATOM 304 CG ASN A 20 8.029 8.181 -9.087 1.00 0.00 C ATOM 305 OD1 ASN A 20 8.606 9.301 -8.744 1.00 0.00 O flip ATOM 306 ND2 ASN A 20 7.767 7.974 -10.254 1.00 0.00 N flip ATOM 0 H ASN A 20 6.773 9.422 -7.708 1.00 0.00 H new ATOM 0 HA ASN A 20 5.544 6.858 -8.195 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.383 7.261 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.826 6.144 -8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.316 7.101 -10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.998 8.673 -10.960 1.00 0.00 H new ATOM 313 N LEU A 21 5.690 5.525 -6.089 1.00 0.00 N ATOM 314 CA LEU A 21 5.512 4.856 -4.771 1.00 0.00 C ATOM 315 C LEU A 21 6.431 3.651 -4.645 1.00 0.00 C ATOM 316 O LEU A 21 7.389 3.676 -3.896 1.00 0.00 O ATOM 317 CB LEU A 21 4.060 4.370 -4.659 1.00 0.00 C ATOM 318 CG LEU A 21 3.124 5.573 -4.721 1.00 0.00 C ATOM 319 CD1 LEU A 21 1.843 5.177 -5.457 1.00 0.00 C ATOM 320 CD2 LEU A 21 2.771 6.006 -3.300 1.00 0.00 C ATOM 0 H LEU A 21 5.471 4.949 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 21 5.752 5.569 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.833 3.675 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.916 3.829 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 21 3.613 6.393 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.171 6.034 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.090 4.853 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.355 4.361 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.102 6.866 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.277 5.184 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.681 6.278 -2.766 1.00 0.00 H new ATOM 332 N VAL A 22 6.131 2.610 -5.378 1.00 0.00 N ATOM 333 CA VAL A 22 6.994 1.399 -5.294 1.00 0.00 C ATOM 334 C VAL A 22 6.803 0.482 -6.496 1.00 0.00 C ATOM 335 O VAL A 22 5.815 0.564 -7.198 1.00 0.00 O ATOM 336 CB VAL A 22 6.620 0.626 -4.023 1.00 0.00 C ATOM 337 CG1 VAL A 22 5.293 -0.098 -4.248 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.709 -0.406 -3.722 1.00 0.00 C ATOM 0 H VAL A 22 5.340 2.547 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 22 8.035 1.720 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 22 6.526 1.318 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.022 -0.649 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.515 0.631 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.394 -0.793 -5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.448 -0.958 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.795 -1.099 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.661 0.103 -3.573 1.00 0.00 H new ATOM 348 N GLN A 23 7.765 -0.380 -6.706 1.00 0.00 N ATOM 349 CA GLN A 23 7.674 -1.319 -7.848 1.00 0.00 C ATOM 350 C GLN A 23 6.648 -2.410 -7.561 1.00 0.00 C ATOM 351 O GLN A 23 6.367 -2.708 -6.416 1.00 0.00 O ATOM 352 CB GLN A 23 9.056 -1.971 -8.045 1.00 0.00 C ATOM 353 CG GLN A 23 9.347 -2.128 -9.543 1.00 0.00 C ATOM 354 CD GLN A 23 8.650 -3.389 -10.062 1.00 0.00 C ATOM 355 OE1 GLN A 23 7.698 -3.269 -10.945 1.00 0.00 O flip ATOM 356 NE2 GLN A 23 8.969 -4.493 -9.670 1.00 0.00 N flip ATOM 0 H GLN A 23 8.605 -0.469 -6.134 1.00 0.00 H new ATOM 0 HA GLN A 23 7.367 -0.776 -8.742 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.827 -1.359 -7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.082 -2.945 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.994 -1.252 -10.088 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.422 -2.196 -9.712 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.713 -4.594 -8.979 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.493 -5.320 -10.031 1.00 0.00 H new ATOM 365 N ILE A 24 6.112 -2.988 -8.610 1.00 0.00 N ATOM 366 CA ILE A 24 5.096 -4.068 -8.428 1.00 0.00 C ATOM 367 C ILE A 24 5.647 -5.440 -8.836 1.00 0.00 C ATOM 368 O ILE A 24 6.664 -5.540 -9.493 1.00 0.00 O ATOM 369 CB ILE A 24 3.893 -3.720 -9.322 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.894 -2.875 -8.533 1.00 0.00 C ATOM 371 CG2 ILE A 24 3.201 -5.019 -9.787 1.00 0.00 C ATOM 372 CD1 ILE A 24 2.027 -3.783 -7.653 1.00 0.00 C ATOM 0 H ILE A 24 6.334 -2.759 -9.579 1.00 0.00 H new ATOM 0 HA ILE A 24 4.816 -4.127 -7.376 1.00 0.00 H new ATOM 0 HB ILE A 24 4.242 -3.159 -10.189 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.425 -2.152 -7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.264 -2.307 -9.217 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.349 -4.771 -10.420 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.908 -5.626 -10.352 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.856 -5.579 -8.918 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.316 -3.176 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.484 -4.489 -8.282 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.663 -4.331 -6.958 1.00 0.00 H new ATOM 384 N LYS A 25 4.948 -6.473 -8.424 1.00 0.00 N ATOM 385 CA LYS A 25 5.386 -7.853 -8.760 1.00 0.00 C ATOM 386 C LYS A 25 4.169 -8.733 -9.103 1.00 0.00 C ATOM 387 O LYS A 25 3.155 -8.683 -8.433 1.00 0.00 O ATOM 388 CB LYS A 25 6.109 -8.443 -7.533 1.00 0.00 C ATOM 389 CG LYS A 25 7.547 -7.897 -7.468 1.00 0.00 C ATOM 390 CD LYS A 25 7.635 -6.799 -6.409 1.00 0.00 C ATOM 391 CE LYS A 25 9.087 -6.337 -6.291 1.00 0.00 C ATOM 392 NZ LYS A 25 9.150 -4.914 -5.856 1.00 0.00 N ATOM 0 H LYS A 25 4.094 -6.413 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 25 6.051 -7.825 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.570 -8.185 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.125 -9.531 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.241 -8.702 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.840 -7.502 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.994 -5.961 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.280 -7.173 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.617 -6.966 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.590 -6.452 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.958 -4.446 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.271 -4.429 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.265 -4.871 -4.823 1.00 0.00 H new ATOM 406 N SER A 26 4.302 -9.525 -10.141 1.00 0.00 N ATOM 407 CA SER A 26 3.175 -10.415 -10.552 1.00 0.00 C ATOM 408 C SER A 26 3.367 -11.827 -10.034 1.00 0.00 C ATOM 409 O SER A 26 3.110 -12.113 -8.884 1.00 0.00 O ATOM 410 CB SER A 26 3.144 -10.471 -12.092 1.00 0.00 C ATOM 411 OG SER A 26 2.137 -11.426 -12.385 1.00 0.00 O ATOM 0 H SER A 26 5.140 -9.592 -10.718 1.00 0.00 H new ATOM 0 HA SER A 26 2.248 -10.015 -10.141 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.907 -9.498 -12.521 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.109 -10.772 -12.499 1.00 0.00 H new ATOM 0 HG SER A 26 2.489 -12.090 -13.014 1.00 0.00 H new ATOM 417 N ASN A 27 3.794 -12.685 -10.902 1.00 0.00 N ATOM 418 CA ASN A 27 4.014 -14.091 -10.498 1.00 0.00 C ATOM 419 C ASN A 27 4.514 -14.906 -11.681 1.00 0.00 C ATOM 420 O ASN A 27 5.551 -15.532 -11.613 1.00 0.00 O ATOM 421 CB ASN A 27 2.676 -14.674 -10.014 1.00 0.00 C ATOM 422 CG ASN A 27 2.858 -15.267 -8.616 1.00 0.00 C ATOM 423 OD1 ASN A 27 2.026 -15.106 -7.747 1.00 0.00 O ATOM 424 ND2 ASN A 27 3.934 -15.959 -8.359 1.00 0.00 N ATOM 0 H ASN A 27 4.002 -12.474 -11.878 1.00 0.00 H new ATOM 0 HA ASN A 27 4.759 -14.129 -9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.913 -13.896 -9.995 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.330 -15.443 -10.705 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.072 -16.361 -7.432 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.637 -16.098 -9.085 1.00 0.00 H new ATOM 431 N ARG A 28 3.769 -14.876 -12.752 1.00 0.00 N ATOM 432 CA ARG A 28 4.194 -15.649 -13.950 1.00 0.00 C ATOM 433 C ARG A 28 5.528 -15.132 -14.465 1.00 0.00 C ATOM 434 O ARG A 28 6.084 -15.659 -15.406 1.00 0.00 O ATOM 435 CB ARG A 28 3.138 -15.475 -15.055 1.00 0.00 C ATOM 436 CG ARG A 28 1.969 -16.433 -14.798 1.00 0.00 C ATOM 437 CD ARG A 28 1.118 -15.903 -13.644 1.00 0.00 C ATOM 438 NE ARG A 28 0.596 -14.556 -14.004 1.00 0.00 N ATOM 439 CZ ARG A 28 0.092 -13.798 -13.072 1.00 0.00 C ATOM 440 NH1 ARG A 28 -0.419 -14.359 -12.010 1.00 0.00 N ATOM 441 NH2 ARG A 28 0.120 -12.504 -13.227 1.00 0.00 N ATOM 0 H ARG A 28 2.896 -14.357 -12.848 1.00 0.00 H new ATOM 0 HA ARG A 28 4.296 -16.700 -13.678 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.781 -14.445 -15.073 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.580 -15.677 -16.031 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.361 -16.530 -15.697 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.346 -17.427 -14.559 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.292 -16.585 -13.442 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.714 -15.845 -12.733 1.00 0.00 H new ATOM 0 HE ARG A 28 0.633 -14.230 -14.970 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.419 -15.375 -11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.818 -13.781 -11.270 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.532 -12.100 -14.068 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.270 -11.896 -12.507 1.00 0.00 H new ATOM 455 N ASP A 29 6.019 -14.108 -13.831 1.00 0.00 N ATOM 456 CA ASP A 29 7.315 -13.533 -14.262 1.00 0.00 C ATOM 457 C ASP A 29 8.438 -14.546 -14.085 1.00 0.00 C ATOM 458 O ASP A 29 9.602 -14.211 -14.182 1.00 0.00 O ATOM 459 CB ASP A 29 7.607 -12.310 -13.382 1.00 0.00 C ATOM 460 CG ASP A 29 8.108 -12.780 -12.016 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.614 -13.808 -11.583 1.00 0.00 O ATOM 462 OD2 ASP A 29 8.958 -12.086 -11.482 1.00 0.00 O ATOM 0 H ASP A 29 5.579 -13.646 -13.035 1.00 0.00 H new ATOM 0 HA ASP A 29 7.258 -13.258 -15.315 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.354 -11.675 -13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.706 -11.708 -13.265 1.00 0.00 H new ATOM 467 N LYS A 30 8.067 -15.769 -13.827 1.00 0.00 N ATOM 468 CA LYS A 30 9.095 -16.820 -13.640 1.00 0.00 C ATOM 469 C LYS A 30 9.376 -17.542 -14.951 1.00 0.00 C ATOM 470 O LYS A 30 10.341 -18.273 -15.061 1.00 0.00 O ATOM 471 CB LYS A 30 8.560 -17.838 -12.618 1.00 0.00 C ATOM 472 CG LYS A 30 8.741 -17.274 -11.207 1.00 0.00 C ATOM 473 CD LYS A 30 7.623 -17.805 -10.303 1.00 0.00 C ATOM 474 CE LYS A 30 7.832 -19.303 -10.075 1.00 0.00 C ATOM 475 NZ LYS A 30 8.959 -19.534 -9.128 1.00 0.00 N ATOM 0 H LYS A 30 7.100 -16.082 -13.739 1.00 0.00 H new ATOM 0 HA LYS A 30 10.020 -16.360 -13.292 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.507 -18.044 -12.808 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.092 -18.784 -12.716 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.714 -17.563 -10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.717 -16.185 -11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.627 -17.276 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.651 -17.627 -10.763 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.919 -19.747 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.040 -19.796 -11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.950 -20.525 -8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.860 -19.331 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.854 -18.908 -8.304 1.00 0.00 H new ATOM 489 N GLU A 31 8.522 -17.317 -15.924 1.00 0.00 N ATOM 490 CA GLU A 31 8.711 -17.979 -17.248 1.00 0.00 C ATOM 491 C GLU A 31 9.048 -16.959 -18.324 1.00 0.00 C ATOM 492 O GLU A 31 9.862 -17.213 -19.189 1.00 0.00 O ATOM 493 CB GLU A 31 7.392 -18.672 -17.632 1.00 0.00 C ATOM 494 CG GLU A 31 6.219 -17.762 -17.264 1.00 0.00 C ATOM 495 CD GLU A 31 4.999 -18.141 -18.103 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.515 -19.241 -17.888 1.00 0.00 O ATOM 497 OE2 GLU A 31 4.618 -17.310 -18.911 1.00 0.00 O ATOM 0 H GLU A 31 7.708 -16.706 -15.855 1.00 0.00 H new ATOM 0 HA GLU A 31 9.531 -18.693 -17.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.379 -18.888 -18.700 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.304 -19.626 -17.113 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.989 -17.859 -16.203 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.485 -16.719 -17.439 1.00 0.00 H new ATOM 504 N THR A 32 8.421 -15.821 -18.252 1.00 0.00 N ATOM 505 CA THR A 32 8.697 -14.778 -19.264 1.00 0.00 C ATOM 506 C THR A 32 8.389 -13.390 -18.711 1.00 0.00 C ATOM 507 O THR A 32 7.401 -13.200 -18.031 1.00 0.00 O ATOM 508 CB THR A 32 7.786 -15.041 -20.471 1.00 0.00 C ATOM 509 OG1 THR A 32 8.410 -14.393 -21.561 1.00 0.00 O ATOM 510 CG2 THR A 32 6.440 -14.319 -20.312 1.00 0.00 C ATOM 0 H THR A 32 7.734 -15.572 -17.540 1.00 0.00 H new ATOM 0 HA THR A 32 9.750 -14.814 -19.543 1.00 0.00 H new ATOM 0 HB THR A 32 7.631 -16.114 -20.587 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.874 -14.525 -22.371 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.813 -14.522 -21.181 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.939 -14.676 -19.412 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.610 -13.245 -20.230 1.00 0.00 H new ATOM 518 N LYS A 33 9.240 -12.442 -19.007 1.00 0.00 N ATOM 519 CA LYS A 33 8.990 -11.074 -18.496 1.00 0.00 C ATOM 520 C LYS A 33 7.546 -10.682 -18.777 1.00 0.00 C ATOM 521 O LYS A 33 7.126 -10.645 -19.916 1.00 0.00 O ATOM 522 CB LYS A 33 9.932 -10.098 -19.221 1.00 0.00 C ATOM 523 CG LYS A 33 9.743 -8.698 -18.636 1.00 0.00 C ATOM 524 CD LYS A 33 11.101 -7.995 -18.554 1.00 0.00 C ATOM 525 CE LYS A 33 11.683 -7.852 -19.961 1.00 0.00 C ATOM 526 NZ LYS A 33 13.136 -7.528 -19.893 1.00 0.00 N ATOM 0 H LYS A 33 10.082 -12.558 -19.571 1.00 0.00 H new ATOM 0 HA LYS A 33 9.170 -11.040 -17.421 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.968 -10.418 -19.105 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.718 -10.092 -20.290 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.059 -8.121 -19.258 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.294 -8.763 -17.645 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.988 -7.014 -18.094 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.782 -8.567 -17.923 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.536 -8.778 -20.518 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.154 -7.067 -20.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.516 -7.434 -20.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.269 -6.633 -19.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.639 -8.290 -19.395 1.00 0.00 H new ATOM 540 N VAL A 34 6.813 -10.390 -17.728 1.00 0.00 N ATOM 541 CA VAL A 34 5.386 -10.000 -17.910 1.00 0.00 C ATOM 542 C VAL A 34 5.150 -8.510 -17.650 1.00 0.00 C ATOM 543 O VAL A 34 5.777 -7.909 -16.801 1.00 0.00 O ATOM 544 CB VAL A 34 4.552 -10.816 -16.908 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.077 -10.568 -15.499 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.094 -10.378 -16.977 1.00 0.00 C ATOM 0 H VAL A 34 7.142 -10.406 -16.763 1.00 0.00 H new ATOM 0 HA VAL A 34 5.100 -10.198 -18.943 1.00 0.00 H new ATOM 0 HB VAL A 34 4.628 -11.875 -17.154 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.489 -11.144 -14.785 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.121 -10.875 -15.441 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.997 -9.507 -15.262 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.506 -10.958 -16.266 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.020 -9.319 -16.730 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.712 -10.543 -17.984 1.00 0.00 H new ATOM 556 N PHE A 35 4.233 -7.955 -18.402 1.00 0.00 N ATOM 557 CA PHE A 35 3.901 -6.516 -18.254 1.00 0.00 C ATOM 558 C PHE A 35 2.639 -6.369 -17.409 1.00 0.00 C ATOM 559 O PHE A 35 1.863 -7.309 -17.291 1.00 0.00 O ATOM 560 CB PHE A 35 3.632 -5.935 -19.657 1.00 0.00 C ATOM 561 CG PHE A 35 4.945 -5.812 -20.470 1.00 0.00 C ATOM 562 CD1 PHE A 35 6.175 -6.223 -19.951 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.913 -5.268 -21.745 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.326 -6.082 -20.698 1.00 0.00 C ATOM 565 CE2 PHE A 35 6.072 -5.135 -22.482 1.00 0.00 C ATOM 566 CZ PHE A 35 7.273 -5.542 -21.958 1.00 0.00 C ATOM 0 H PHE A 35 3.698 -8.447 -19.118 1.00 0.00 H new ATOM 0 HA PHE A 35 4.725 -5.990 -17.771 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.929 -6.575 -20.190 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.164 -4.955 -19.565 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.225 -6.653 -18.961 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.972 -4.945 -22.165 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.274 -6.398 -20.289 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.034 -4.709 -23.474 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.178 -5.437 -22.538 1.00 0.00 H new ATOM 576 N TYR A 36 2.441 -5.185 -16.854 1.00 0.00 N ATOM 577 CA TYR A 36 1.226 -4.962 -16.005 1.00 0.00 C ATOM 578 C TYR A 36 0.183 -4.048 -16.634 1.00 0.00 C ATOM 579 O TYR A 36 0.398 -3.423 -17.655 1.00 0.00 O ATOM 580 CB TYR A 36 1.672 -4.289 -14.707 1.00 0.00 C ATOM 581 CG TYR A 36 2.506 -5.257 -13.887 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.900 -6.137 -13.017 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.876 -5.249 -13.987 1.00 0.00 C ATOM 584 CE1 TYR A 36 2.658 -6.996 -12.256 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.636 -6.107 -13.228 1.00 0.00 C ATOM 586 CZ TYR A 36 4.034 -6.986 -12.355 1.00 0.00 C ATOM 587 OH TYR A 36 4.793 -7.826 -11.577 1.00 0.00 O ATOM 0 H TYR A 36 3.060 -4.380 -16.953 1.00 0.00 H new ATOM 0 HA TYR A 36 0.768 -5.941 -15.862 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.252 -3.394 -14.931 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.801 -3.969 -14.134 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.823 -6.152 -12.932 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.360 -4.563 -14.667 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.173 -7.682 -11.577 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.712 -6.092 -13.317 1.00 0.00 H new ATOM 0 HH TYR A 36 5.376 -8.366 -12.151 1.00 0.00 H new ATOM 597 N SER A 37 -0.942 -4.014 -15.970 1.00 0.00 N ATOM 598 CA SER A 37 -2.086 -3.185 -16.406 1.00 0.00 C ATOM 599 C SER A 37 -3.009 -3.010 -15.202 1.00 0.00 C ATOM 600 O SER A 37 -3.644 -3.956 -14.779 1.00 0.00 O ATOM 601 CB SER A 37 -2.838 -3.922 -17.524 1.00 0.00 C ATOM 602 OG SER A 37 -2.813 -3.013 -18.615 1.00 0.00 O ATOM 0 H SER A 37 -1.113 -4.547 -15.117 1.00 0.00 H new ATOM 0 HA SER A 37 -1.751 -2.217 -16.778 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.351 -4.864 -17.778 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.859 -4.161 -17.227 1.00 0.00 H new ATOM 0 HG SER A 37 -3.276 -3.410 -19.382 1.00 0.00 H new ATOM 608 N ILE A 38 -3.078 -1.810 -14.671 1.00 0.00 N ATOM 609 CA ILE A 38 -3.963 -1.592 -13.484 1.00 0.00 C ATOM 610 C ILE A 38 -5.314 -0.991 -13.833 1.00 0.00 C ATOM 611 O ILE A 38 -5.445 -0.194 -14.741 1.00 0.00 O ATOM 612 CB ILE A 38 -3.253 -0.640 -12.529 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.138 -0.392 -11.308 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.019 0.696 -13.257 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.318 0.300 -10.218 1.00 0.00 C ATOM 0 H ILE A 38 -2.571 -0.989 -15.001 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.151 -2.570 -13.041 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.304 -1.071 -12.210 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.992 0.227 -11.584 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.535 -1.336 -10.935 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.511 1.391 -12.588 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.403 0.526 -14.140 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.977 1.118 -13.559 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.948 0.478 -9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.479 -0.335 -9.936 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.942 1.252 -10.594 1.00 0.00 H new ATOM 627 N THR A 39 -6.300 -1.408 -13.082 1.00 0.00 N ATOM 628 CA THR A 39 -7.677 -0.915 -13.296 1.00 0.00 C ATOM 629 C THR A 39 -8.516 -1.176 -12.043 1.00 0.00 C ATOM 630 O THR A 39 -8.232 -2.092 -11.291 1.00 0.00 O ATOM 631 CB THR A 39 -8.289 -1.671 -14.478 1.00 0.00 C ATOM 632 OG1 THR A 39 -9.632 -1.235 -14.545 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.384 -3.174 -14.176 1.00 0.00 C ATOM 0 H THR A 39 -6.200 -2.079 -12.320 1.00 0.00 H new ATOM 0 HA THR A 39 -7.659 0.155 -13.501 1.00 0.00 H new ATOM 0 HB THR A 39 -7.693 -1.500 -15.375 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.716 -0.364 -14.103 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.822 -3.690 -15.031 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.387 -3.570 -13.985 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.011 -3.330 -13.298 1.00 0.00 H new ATOM 641 N GLY A 40 -9.525 -0.367 -11.837 1.00 0.00 N ATOM 642 CA GLY A 40 -10.396 -0.559 -10.628 1.00 0.00 C ATOM 643 C GLY A 40 -10.618 0.777 -9.910 1.00 0.00 C ATOM 644 O GLY A 40 -10.353 1.826 -10.456 1.00 0.00 O ATOM 0 H GLY A 40 -9.785 0.411 -12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.355 -0.982 -10.927 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.931 -1.272 -9.947 1.00 0.00 H new ATOM 648 N GLN A 41 -11.101 0.706 -8.697 1.00 0.00 N ATOM 649 CA GLN A 41 -11.344 1.958 -7.931 1.00 0.00 C ATOM 650 C GLN A 41 -10.062 2.765 -7.800 1.00 0.00 C ATOM 651 O GLN A 41 -9.215 2.454 -6.989 1.00 0.00 O ATOM 652 CB GLN A 41 -11.846 1.575 -6.526 1.00 0.00 C ATOM 653 CG GLN A 41 -12.212 2.848 -5.753 1.00 0.00 C ATOM 654 CD GLN A 41 -11.418 2.896 -4.444 1.00 0.00 C ATOM 655 OE1 GLN A 41 -11.237 1.896 -3.777 1.00 0.00 O ATOM 656 NE2 GLN A 41 -10.927 4.036 -4.043 1.00 0.00 N ATOM 0 H GLN A 41 -11.335 -0.159 -8.209 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.082 2.565 -8.455 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.714 0.921 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.075 1.020 -5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.992 3.729 -6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.281 2.864 -5.543 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.075 4.879 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.395 4.085 -3.174 1.00 0.00 H new ATOM 665 N GLY A 42 -9.952 3.802 -8.601 1.00 0.00 N ATOM 666 CA GLY A 42 -8.722 4.662 -8.548 1.00 0.00 C ATOM 667 C GLY A 42 -8.100 4.770 -9.942 1.00 0.00 C ATOM 668 O GLY A 42 -7.193 5.554 -10.166 1.00 0.00 O ATOM 0 H GLY A 42 -10.654 4.088 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.978 5.654 -8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.000 4.237 -7.850 1.00 0.00 H new ATOM 672 N ALA A 43 -8.604 3.967 -10.841 1.00 0.00 N ATOM 673 CA ALA A 43 -8.085 3.978 -12.232 1.00 0.00 C ATOM 674 C ALA A 43 -9.239 4.112 -13.211 1.00 0.00 C ATOM 675 O ALA A 43 -9.303 5.054 -13.979 1.00 0.00 O ATOM 676 CB ALA A 43 -7.375 2.639 -12.491 1.00 0.00 C ATOM 0 H ALA A 43 -9.357 3.302 -10.667 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.399 4.815 -12.363 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.985 2.625 -13.509 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.552 2.521 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.083 1.821 -12.362 1.00 0.00 H new ATOM 682 N ASP A 44 -10.134 3.158 -13.153 1.00 0.00 N ATOM 683 CA ASP A 44 -11.309 3.178 -14.059 1.00 0.00 C ATOM 684 C ASP A 44 -12.589 3.406 -13.260 1.00 0.00 C ATOM 685 O ASP A 44 -13.581 3.870 -13.793 1.00 0.00 O ATOM 686 CB ASP A 44 -11.391 1.814 -14.760 1.00 0.00 C ATOM 687 CG ASP A 44 -12.042 0.798 -13.821 1.00 0.00 C ATOM 688 OD1 ASP A 44 -13.240 0.927 -13.630 1.00 0.00 O ATOM 689 OD2 ASP A 44 -11.305 -0.051 -13.350 1.00 0.00 O ATOM 0 H ASP A 44 -10.096 2.365 -12.512 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.202 3.984 -14.785 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.971 1.900 -15.679 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.393 1.477 -15.042 1.00 0.00 H new ATOM 694 N LYS A 45 -12.539 3.076 -11.990 1.00 0.00 N ATOM 695 CA LYS A 45 -13.738 3.264 -11.131 1.00 0.00 C ATOM 696 C LYS A 45 -13.580 4.528 -10.269 1.00 0.00 C ATOM 697 O LYS A 45 -12.474 4.885 -9.885 1.00 0.00 O ATOM 698 CB LYS A 45 -13.867 2.048 -10.202 1.00 0.00 C ATOM 699 CG LYS A 45 -14.982 1.131 -10.713 1.00 0.00 C ATOM 700 CD LYS A 45 -14.830 -0.248 -10.068 1.00 0.00 C ATOM 701 CE LYS A 45 -14.333 -1.243 -11.118 1.00 0.00 C ATOM 702 NZ LYS A 45 -13.700 -2.417 -10.460 1.00 0.00 N ATOM 0 H LYS A 45 -11.722 2.687 -11.519 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.622 3.367 -11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.923 1.504 -10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.088 2.375 -9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.957 1.554 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.931 1.046 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.128 -0.198 -9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.785 -0.579 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.166 -1.572 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.615 -0.757 -11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.352 -3.076 -11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.904 -2.098 -9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.401 -2.899 -9.862 1.00 0.00 H new ATOM 716 N PRO A 46 -14.702 5.172 -9.968 1.00 0.00 N ATOM 717 CA PRO A 46 -14.697 6.389 -9.154 1.00 0.00 C ATOM 718 C PRO A 46 -14.009 6.162 -7.787 1.00 0.00 C ATOM 719 O PRO A 46 -14.351 5.238 -7.077 1.00 0.00 O ATOM 720 CB PRO A 46 -16.192 6.710 -8.921 1.00 0.00 C ATOM 721 CG PRO A 46 -17.025 5.643 -9.695 1.00 0.00 C ATOM 722 CD PRO A 46 -16.029 4.715 -10.401 1.00 0.00 C ATOM 0 HA PRO A 46 -14.151 7.190 -9.651 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.429 6.684 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.429 7.713 -9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.658 5.078 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.685 6.121 -10.419 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.197 3.674 -10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.133 4.777 -11.484 1.00 0.00 H new ATOM 730 N PRO A 47 -13.046 7.019 -7.436 1.00 0.00 N ATOM 731 CA PRO A 47 -12.594 8.137 -8.278 1.00 0.00 C ATOM 732 C PRO A 47 -11.870 7.620 -9.524 1.00 0.00 C ATOM 733 O PRO A 47 -10.917 6.873 -9.421 1.00 0.00 O ATOM 734 CB PRO A 47 -11.599 8.914 -7.395 1.00 0.00 C ATOM 735 CG PRO A 47 -11.359 8.063 -6.112 1.00 0.00 C ATOM 736 CD PRO A 47 -12.355 6.895 -6.150 1.00 0.00 C ATOM 0 HA PRO A 47 -13.429 8.748 -8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.662 9.081 -7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.998 9.895 -7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.334 7.694 -6.081 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.507 8.666 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.841 5.937 -6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.058 6.950 -5.319 1.00 0.00 H new ATOM 744 N VAL A 48 -12.335 8.023 -10.673 1.00 0.00 N ATOM 745 CA VAL A 48 -11.683 7.559 -11.922 1.00 0.00 C ATOM 746 C VAL A 48 -10.396 8.337 -12.197 1.00 0.00 C ATOM 747 O VAL A 48 -10.380 9.551 -12.173 1.00 0.00 O ATOM 748 CB VAL A 48 -12.666 7.778 -13.084 1.00 0.00 C ATOM 749 CG1 VAL A 48 -13.376 9.124 -12.906 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.894 7.782 -14.400 1.00 0.00 C ATOM 0 H VAL A 48 -13.131 8.648 -10.798 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.424 6.505 -11.820 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.405 6.977 -13.094 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -14.073 9.279 -13.730 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.923 9.125 -11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.638 9.926 -12.899 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.586 7.937 -15.228 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.158 8.586 -14.387 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.386 6.826 -14.526 1.00 0.00 H new ATOM 760 N GLY A 49 -9.334 7.616 -12.455 1.00 0.00 N ATOM 761 CA GLY A 49 -8.037 8.299 -12.734 1.00 0.00 C ATOM 762 C GLY A 49 -7.391 8.774 -11.428 1.00 0.00 C ATOM 763 O GLY A 49 -7.568 9.904 -11.022 1.00 0.00 O ATOM 0 H GLY A 49 -9.309 6.597 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.364 7.617 -13.253 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.202 9.149 -13.396 1.00 0.00 H new ATOM 767 N VAL A 50 -6.651 7.896 -10.799 1.00 0.00 N ATOM 768 CA VAL A 50 -5.986 8.278 -9.522 1.00 0.00 C ATOM 769 C VAL A 50 -4.618 7.626 -9.402 1.00 0.00 C ATOM 770 O VAL A 50 -3.695 8.228 -8.887 1.00 0.00 O ATOM 771 CB VAL A 50 -6.858 7.795 -8.354 1.00 0.00 C ATOM 772 CG1 VAL A 50 -6.498 8.585 -7.092 1.00 0.00 C ATOM 773 CG2 VAL A 50 -8.323 8.034 -8.690 1.00 0.00 C ATOM 0 H VAL A 50 -6.481 6.940 -11.113 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.862 9.361 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.686 6.732 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.116 8.244 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.447 8.427 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.675 9.647 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.946 7.693 -7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.490 9.099 -8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.584 7.482 -9.593 1.00 0.00 H new ATOM 783 N PHE A 51 -4.518 6.395 -9.873 1.00 0.00 N ATOM 784 CA PHE A 51 -3.209 5.670 -9.798 1.00 0.00 C ATOM 785 C PHE A 51 -2.725 5.250 -11.185 1.00 0.00 C ATOM 786 O PHE A 51 -3.514 5.008 -12.078 1.00 0.00 O ATOM 787 CB PHE A 51 -3.395 4.390 -8.959 1.00 0.00 C ATOM 788 CG PHE A 51 -3.608 4.758 -7.492 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.540 5.144 -6.704 1.00 0.00 C ATOM 790 CD2 PHE A 51 -4.871 4.695 -6.929 1.00 0.00 C ATOM 791 CE1 PHE A 51 -2.733 5.463 -5.377 1.00 0.00 C ATOM 792 CE2 PHE A 51 -5.058 5.015 -5.601 1.00 0.00 C ATOM 793 CZ PHE A 51 -3.990 5.397 -4.828 1.00 0.00 C ATOM 0 H PHE A 51 -5.281 5.871 -10.301 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.476 6.342 -9.351 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.249 3.823 -9.329 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.519 3.749 -9.059 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.549 5.196 -7.130 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.714 4.394 -7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.894 5.765 -4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.046 4.965 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.138 5.646 -3.788 1.00 0.00 H new ATOM 803 N ILE A 52 -1.428 5.175 -11.329 1.00 0.00 N ATOM 804 CA ILE A 52 -0.841 4.772 -12.636 1.00 0.00 C ATOM 805 C ILE A 52 0.302 3.810 -12.409 1.00 0.00 C ATOM 806 O ILE A 52 0.967 3.872 -11.398 1.00 0.00 O ATOM 807 CB ILE A 52 -0.306 6.018 -13.338 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.368 6.930 -12.323 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.487 6.772 -13.970 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.956 8.140 -13.049 1.00 0.00 C ATOM 0 H ILE A 52 -0.750 5.377 -10.594 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.605 4.289 -13.246 1.00 0.00 H new ATOM 0 HB ILE A 52 0.415 5.726 -14.101 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.353 7.255 -11.573 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.154 6.389 -11.796 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.120 7.665 -14.475 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.987 6.126 -14.692 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.193 7.060 -13.191 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.440 8.797 -12.327 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.689 7.804 -13.782 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.158 8.683 -13.556 1.00 0.00 H new ATOM 822 N ILE A 53 0.517 2.937 -13.354 1.00 0.00 N ATOM 823 CA ILE A 53 1.621 1.959 -13.201 1.00 0.00 C ATOM 824 C ILE A 53 2.350 1.726 -14.515 1.00 0.00 C ATOM 825 O ILE A 53 1.745 1.695 -15.569 1.00 0.00 O ATOM 826 CB ILE A 53 1.011 0.635 -12.730 1.00 0.00 C ATOM 827 CG1 ILE A 53 2.069 -0.172 -12.001 1.00 0.00 C ATOM 828 CG2 ILE A 53 0.527 -0.160 -13.961 1.00 0.00 C ATOM 829 CD1 ILE A 53 1.719 -1.667 -12.062 1.00 0.00 C ATOM 0 H ILE A 53 -0.021 2.861 -14.217 1.00 0.00 H new ATOM 0 HA ILE A 53 2.343 2.348 -12.483 1.00 0.00 H new ATOM 0 HB ILE A 53 0.173 0.831 -12.061 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.046 0.001 -12.452 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.136 0.153 -10.963 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.091 -1.105 -13.636 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.224 0.421 -14.497 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.371 -0.358 -14.621 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.482 -2.241 -11.537 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.751 -1.834 -11.590 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.675 -1.988 -13.103 1.00 0.00 H new ATOM 841 N GLU A 54 3.645 1.564 -14.428 1.00 0.00 N ATOM 842 CA GLU A 54 4.430 1.331 -15.663 1.00 0.00 C ATOM 843 C GLU A 54 4.315 -0.129 -16.093 1.00 0.00 C ATOM 844 O GLU A 54 4.952 -1.001 -15.536 1.00 0.00 O ATOM 845 CB GLU A 54 5.907 1.657 -15.376 1.00 0.00 C ATOM 846 CG GLU A 54 6.402 2.690 -16.394 1.00 0.00 C ATOM 847 CD GLU A 54 6.051 2.219 -17.807 1.00 0.00 C ATOM 848 OE1 GLU A 54 6.670 1.255 -18.224 1.00 0.00 O ATOM 849 OE2 GLU A 54 5.185 2.850 -18.390 1.00 0.00 O ATOM 0 H GLU A 54 4.183 1.584 -13.562 1.00 0.00 H new ATOM 0 HA GLU A 54 4.047 1.966 -16.461 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.016 2.045 -14.363 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.510 0.751 -15.437 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.944 3.659 -16.197 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.480 2.822 -16.300 1.00 0.00 H new ATOM 856 N ARG A 55 3.497 -0.364 -17.075 1.00 0.00 N ATOM 857 CA ARG A 55 3.316 -1.750 -17.563 1.00 0.00 C ATOM 858 C ARG A 55 4.652 -2.458 -17.755 1.00 0.00 C ATOM 859 O ARG A 55 4.711 -3.668 -17.741 1.00 0.00 O ATOM 860 CB ARG A 55 2.602 -1.691 -18.921 1.00 0.00 C ATOM 861 CG ARG A 55 3.498 -0.961 -19.925 1.00 0.00 C ATOM 862 CD ARG A 55 2.824 -0.964 -21.298 1.00 0.00 C ATOM 863 NE ARG A 55 3.850 -1.237 -22.345 1.00 0.00 N ATOM 864 CZ ARG A 55 4.365 -0.240 -23.015 1.00 0.00 C ATOM 865 NH1 ARG A 55 4.503 0.914 -22.422 1.00 0.00 N ATOM 866 NH2 ARG A 55 4.727 -0.433 -24.253 1.00 0.00 N ATOM 0 H ARG A 55 2.947 0.345 -17.560 1.00 0.00 H new ATOM 0 HA ARG A 55 2.737 -2.304 -16.824 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.383 -2.698 -19.275 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.648 -1.173 -18.822 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.674 0.063 -19.596 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.471 -1.449 -19.984 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.042 -1.723 -21.331 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.344 -0.003 -21.483 1.00 0.00 H new ATOM 0 HE ARG A 55 4.147 -2.194 -22.537 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.211 1.027 -21.451 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.903 1.703 -22.929 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.606 -1.350 -24.683 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.131 0.333 -24.792 1.00 0.00 H new ATOM 880 N GLU A 56 5.703 -1.695 -17.922 1.00 0.00 N ATOM 881 CA GLU A 56 7.040 -2.328 -18.118 1.00 0.00 C ATOM 882 C GLU A 56 7.816 -2.453 -16.806 1.00 0.00 C ATOM 883 O GLU A 56 8.057 -3.546 -16.330 1.00 0.00 O ATOM 884 CB GLU A 56 7.853 -1.451 -19.085 1.00 0.00 C ATOM 885 CG GLU A 56 7.060 -1.266 -20.381 1.00 0.00 C ATOM 886 CD GLU A 56 8.034 -1.047 -21.542 1.00 0.00 C ATOM 887 OE1 GLU A 56 9.135 -0.608 -21.252 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.620 -1.329 -22.655 1.00 0.00 O ATOM 0 H GLU A 56 5.693 -0.675 -17.931 1.00 0.00 H new ATOM 0 HA GLU A 56 6.886 -3.332 -18.514 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.061 -0.483 -18.630 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.815 -1.917 -19.296 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.441 -2.143 -20.571 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.386 -0.414 -20.290 1.00 0.00 H new ATOM 895 N THR A 57 8.192 -1.336 -16.243 1.00 0.00 N ATOM 896 CA THR A 57 8.953 -1.386 -14.965 1.00 0.00 C ATOM 897 C THR A 57 8.033 -1.626 -13.775 1.00 0.00 C ATOM 898 O THR A 57 8.452 -1.544 -12.637 1.00 0.00 O ATOM 899 CB THR A 57 9.667 -0.046 -14.778 1.00 0.00 C ATOM 900 OG1 THR A 57 8.651 0.874 -14.433 1.00 0.00 O ATOM 901 CG2 THR A 57 10.216 0.468 -16.116 1.00 0.00 C ATOM 0 H THR A 57 8.007 -0.402 -16.609 1.00 0.00 H new ATOM 0 HA THR A 57 9.664 -2.211 -15.014 1.00 0.00 H new ATOM 0 HB THR A 57 10.471 -0.153 -14.050 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.964 1.787 -14.605 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.720 1.422 -15.960 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.925 -0.255 -16.520 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.394 0.602 -16.819 1.00 0.00 H new ATOM 909 N GLY A 58 6.797 -1.918 -14.053 1.00 0.00 N ATOM 910 CA GLY A 58 5.836 -2.167 -12.942 1.00 0.00 C ATOM 911 C GLY A 58 5.971 -1.101 -11.847 1.00 0.00 C ATOM 912 O GLY A 58 5.674 -1.352 -10.698 1.00 0.00 O ATOM 0 H GLY A 58 6.410 -1.995 -14.994 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.818 -2.167 -13.331 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.015 -3.155 -12.517 1.00 0.00 H new ATOM 916 N TRP A 59 6.427 0.062 -12.221 1.00 0.00 N ATOM 917 CA TRP A 59 6.578 1.137 -11.209 1.00 0.00 C ATOM 918 C TRP A 59 5.215 1.712 -10.855 1.00 0.00 C ATOM 919 O TRP A 59 4.557 2.300 -11.693 1.00 0.00 O ATOM 920 CB TRP A 59 7.452 2.256 -11.806 1.00 0.00 C ATOM 921 CG TRP A 59 8.833 2.234 -11.144 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.962 1.959 -11.780 1.00 0.00 C ATOM 923 CD2 TRP A 59 9.052 2.483 -9.880 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.900 2.054 -10.818 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.398 2.387 -9.573 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.143 2.812 -8.894 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.831 2.617 -8.286 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.577 3.042 -7.606 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.922 2.946 -7.301 1.00 0.00 C ATOM 0 H TRP A 59 6.698 0.310 -13.172 1.00 0.00 H new ATOM 0 HA TRP A 59 7.040 0.729 -10.310 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.551 2.119 -12.883 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.978 3.225 -11.650 1.00 0.00 H new ATOM 0 HD1 TRP A 59 10.098 1.716 -12.823 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.892 1.895 -10.992 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.092 2.889 -9.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.882 2.540 -8.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.866 3.297 -6.834 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.261 3.128 -6.292 1.00 0.00 H new ATOM 940 N LEU A 60 4.802 1.531 -9.624 1.00 0.00 N ATOM 941 CA LEU A 60 3.478 2.072 -9.224 1.00 0.00 C ATOM 942 C LEU A 60 3.590 3.517 -8.761 1.00 0.00 C ATOM 943 O LEU A 60 4.267 3.817 -7.784 1.00 0.00 O ATOM 944 CB LEU A 60 2.910 1.226 -8.072 1.00 0.00 C ATOM 945 CG LEU A 60 1.377 1.209 -8.183 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.780 0.514 -6.962 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.857 2.645 -8.235 1.00 0.00 C ATOM 0 H LEU A 60 5.318 1.040 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 60 2.819 2.033 -10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.304 0.211 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.215 1.642 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 60 1.090 0.674 -9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.307 0.504 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.149 -0.510 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.071 1.051 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.230 2.636 -8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.151 3.171 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.279 3.154 -9.102 1.00 0.00 H new ATOM 959 N LYS A 61 2.918 4.383 -9.483 1.00 0.00 N ATOM 960 CA LYS A 61 2.937 5.831 -9.144 1.00 0.00 C ATOM 961 C LYS A 61 1.515 6.329 -8.914 1.00 0.00 C ATOM 962 O LYS A 61 0.582 5.796 -9.478 1.00 0.00 O ATOM 963 CB LYS A 61 3.541 6.602 -10.340 1.00 0.00 C ATOM 964 CG LYS A 61 3.906 5.613 -11.451 1.00 0.00 C ATOM 965 CD LYS A 61 4.262 6.394 -12.721 1.00 0.00 C ATOM 966 CE LYS A 61 5.622 7.071 -12.531 1.00 0.00 C ATOM 967 NZ LYS A 61 6.112 7.636 -13.822 1.00 0.00 N ATOM 0 H LYS A 61 2.355 4.141 -10.298 1.00 0.00 H new ATOM 0 HA LYS A 61 3.526 5.988 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.826 7.336 -10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.427 7.152 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.748 4.994 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.071 4.940 -11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.294 5.722 -13.579 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.496 7.141 -12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.539 7.865 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.343 6.350 -12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.035 8.091 -13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.211 6.872 -14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.432 8.340 -14.173 1.00 0.00 H new ATOM 981 N VAL A 62 1.378 7.342 -8.092 1.00 0.00 N ATOM 982 CA VAL A 62 0.019 7.890 -7.814 1.00 0.00 C ATOM 983 C VAL A 62 -0.123 9.287 -8.393 1.00 0.00 C ATOM 984 O VAL A 62 0.841 10.031 -8.478 1.00 0.00 O ATOM 985 CB VAL A 62 -0.189 7.953 -6.292 1.00 0.00 C ATOM 986 CG1 VAL A 62 1.127 8.309 -5.615 1.00 0.00 C ATOM 987 CG2 VAL A 62 -1.232 9.026 -5.965 1.00 0.00 C ATOM 0 H VAL A 62 2.144 7.808 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.726 7.242 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.535 6.984 -5.932 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.981 8.354 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.873 7.550 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.471 9.279 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.381 9.072 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.883 9.994 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.175 8.777 -6.451 1.00 0.00 H new ATOM 997 N THR A 63 -1.330 9.616 -8.779 1.00 0.00 N ATOM 998 CA THR A 63 -1.586 10.955 -9.361 1.00 0.00 C ATOM 999 C THR A 63 -2.287 11.879 -8.365 1.00 0.00 C ATOM 1000 O THR A 63 -2.126 13.081 -8.429 1.00 0.00 O ATOM 1001 CB THR A 63 -2.496 10.779 -10.578 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.757 10.416 -10.051 1.00 0.00 O ATOM 1003 CG2 THR A 63 -2.064 9.567 -11.417 1.00 0.00 C ATOM 0 H THR A 63 -2.147 9.009 -8.713 1.00 0.00 H new ATOM 0 HA THR A 63 -0.630 11.404 -9.631 1.00 0.00 H new ATOM 0 HB THR A 63 -2.481 11.685 -11.184 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.635 9.765 -9.329 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.727 9.464 -12.276 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.041 9.711 -11.764 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.117 8.665 -10.807 1.00 0.00 H new ATOM 1011 N GLN A 64 -3.066 11.299 -7.468 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.787 12.147 -6.458 1.00 0.00 C ATOM 1013 C GLN A 64 -3.482 11.695 -5.014 1.00 0.00 C ATOM 1014 O GLN A 64 -3.337 10.518 -4.749 1.00 0.00 O ATOM 1015 CB GLN A 64 -5.298 11.995 -6.699 1.00 0.00 C ATOM 1016 CG GLN A 64 -5.619 12.379 -8.143 1.00 0.00 C ATOM 1017 CD GLN A 64 -7.120 12.650 -8.271 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.632 13.626 -7.760 1.00 0.00 O ATOM 1019 NE2 GLN A 64 -7.862 11.812 -8.943 1.00 0.00 N ATOM 0 H GLN A 64 -3.229 10.295 -7.395 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.457 13.179 -6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.607 10.968 -6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.854 12.630 -6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.052 13.264 -8.431 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.323 11.577 -8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.440 10.990 -9.375 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.864 11.979 -9.036 1.00 0.00 H new ATOM 1028 N PRO A 65 -3.386 12.661 -4.096 1.00 0.00 N ATOM 1029 CA PRO A 65 -3.102 12.362 -2.687 1.00 0.00 C ATOM 1030 C PRO A 65 -4.258 11.608 -2.040 1.00 0.00 C ATOM 1031 O PRO A 65 -5.348 11.571 -2.579 1.00 0.00 O ATOM 1032 CB PRO A 65 -2.978 13.741 -2.009 1.00 0.00 C ATOM 1033 CG PRO A 65 -3.409 14.812 -3.057 1.00 0.00 C ATOM 1034 CD PRO A 65 -3.532 14.096 -4.409 1.00 0.00 C ATOM 0 HA PRO A 65 -2.210 11.744 -2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.612 13.793 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.954 13.916 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.358 15.267 -2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.674 15.615 -3.112 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.494 14.302 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.761 14.429 -5.104 1.00 0.00 H new ATOM 1042 N LEU A 66 -4.003 11.027 -0.882 1.00 0.00 N ATOM 1043 CA LEU A 66 -5.086 10.272 -0.185 1.00 0.00 C ATOM 1044 C LEU A 66 -5.578 11.046 1.026 1.00 0.00 C ATOM 1045 O LEU A 66 -4.842 11.820 1.609 1.00 0.00 O ATOM 1046 CB LEU A 66 -4.527 8.919 0.276 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.934 8.191 -0.933 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.742 6.716 -0.595 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -4.888 8.307 -2.123 1.00 0.00 C ATOM 0 H LEU A 66 -3.103 11.046 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.920 10.126 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.763 9.067 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.317 8.319 0.728 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.974 8.642 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.320 6.197 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.064 6.622 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.705 6.273 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.463 7.788 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.847 7.858 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.035 9.358 -2.371 1.00 0.00 H new ATOM 1061 N ASP A 67 -6.815 10.816 1.384 1.00 0.00 N ATOM 1062 CA ASP A 67 -7.397 11.527 2.560 1.00 0.00 C ATOM 1063 C ASP A 67 -7.632 10.577 3.724 1.00 0.00 C ATOM 1064 O ASP A 67 -8.657 9.923 3.803 1.00 0.00 O ATOM 1065 CB ASP A 67 -8.747 12.124 2.143 1.00 0.00 C ATOM 1066 CG ASP A 67 -9.320 12.923 3.313 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -8.628 12.984 4.317 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -10.416 13.428 3.138 1.00 0.00 O ATOM 0 H ASP A 67 -7.446 10.167 0.913 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.697 12.299 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.621 12.768 1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.437 11.331 1.855 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.686 10.524 4.615 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.836 9.626 5.779 1.00 0.00 C ATOM 1075 C ARG A 68 -8.037 10.036 6.620 1.00 0.00 C ATOM 1076 O ARG A 68 -8.529 9.268 7.421 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.570 9.738 6.645 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.484 8.527 7.580 1.00 0.00 C ATOM 1079 CD ARG A 68 -4.269 8.683 8.499 1.00 0.00 C ATOM 1080 NE ARG A 68 -4.709 9.289 9.787 1.00 0.00 N ATOM 1081 CZ ARG A 68 -5.176 10.504 9.794 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -4.425 11.467 9.341 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -6.377 10.715 10.255 1.00 0.00 N ATOM 0 H ARG A 68 -5.820 11.063 4.585 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.982 8.605 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.685 9.785 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.594 10.659 7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.395 8.445 8.173 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.399 7.609 6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.806 7.713 8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.516 9.313 8.024 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.645 8.757 10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.490 11.262 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.772 12.426 9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.934 9.935 10.602 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.759 11.661 10.268 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.492 11.244 6.417 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.658 11.723 7.196 1.00 0.00 C ATOM 1099 C GLU A 69 -10.953 11.097 6.692 1.00 0.00 C ATOM 1100 O GLU A 69 -11.965 11.144 7.364 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.749 13.249 7.036 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.387 13.867 7.365 1.00 0.00 C ATOM 1103 CD GLU A 69 -8.216 13.940 8.883 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -9.188 13.629 9.554 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -7.123 14.302 9.288 1.00 0.00 O ATOM 0 H GLU A 69 -8.106 11.912 5.749 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.525 11.441 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.042 13.504 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.515 13.652 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.588 13.269 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.313 14.864 6.931 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.894 10.517 5.514 1.00 0.00 N ATOM 1113 CA ALA A 70 -12.112 9.875 4.934 1.00 0.00 C ATOM 1114 C ALA A 70 -11.852 8.405 4.648 1.00 0.00 C ATOM 1115 O ALA A 70 -12.584 7.545 5.096 1.00 0.00 O ATOM 1116 CB ALA A 70 -12.453 10.584 3.613 1.00 0.00 C ATOM 0 H ALA A 70 -10.057 10.462 4.934 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.935 9.957 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -13.341 10.128 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.644 11.640 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.616 10.487 2.922 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.804 8.149 3.903 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.455 6.744 3.560 1.00 0.00 C ATOM 1124 C ILE A 71 -9.017 6.449 3.967 1.00 0.00 C ATOM 1125 O ILE A 71 -8.157 7.301 3.852 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.592 6.571 2.046 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -12.047 6.762 1.636 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -10.162 5.144 1.673 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -12.101 7.261 0.190 1.00 0.00 C ATOM 0 H ILE A 71 -10.177 8.857 3.519 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.120 6.060 4.088 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.968 7.306 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.590 5.822 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.533 7.478 2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.255 5.006 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.125 4.987 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.801 4.426 2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -13.140 7.399 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.572 8.211 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.630 6.529 -0.465 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.781 5.243 4.437 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.399 4.870 4.863 1.00 0.00 C ATOM 1143 C ALA A 72 -6.886 3.653 4.101 1.00 0.00 C ATOM 1144 O ALA A 72 -5.841 3.120 4.416 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.438 4.524 6.359 1.00 0.00 C ATOM 0 H ALA A 72 -9.482 4.510 4.542 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.733 5.708 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.438 4.248 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.784 5.390 6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.119 3.689 6.522 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.622 3.235 3.113 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.177 2.054 2.332 1.00 0.00 C ATOM 1153 C LYS A 73 -7.861 1.997 0.972 1.00 0.00 C ATOM 1154 O LYS A 73 -9.070 1.899 0.884 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.530 0.788 3.134 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.604 -0.417 2.185 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.801 -1.697 3.010 1.00 0.00 C ATOM 1158 CE LYS A 73 -8.219 -2.844 2.079 1.00 0.00 C ATOM 1159 NZ LYS A 73 -9.253 -3.698 2.731 1.00 0.00 N ATOM 0 H LYS A 73 -8.503 3.655 2.815 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.103 2.124 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.779 0.612 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.484 0.922 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.428 -0.292 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.690 -0.487 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.878 -1.954 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.563 -1.537 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.610 -2.438 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.348 -3.448 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.524 -4.468 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.868 -4.100 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.090 -3.122 2.952 1.00 0.00 H new ATOM 1173 N TYR A 74 -7.066 2.062 -0.064 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.629 2.013 -1.437 1.00 0.00 C ATOM 1175 C TYR A 74 -7.444 0.626 -2.037 1.00 0.00 C ATOM 1176 O TYR A 74 -6.495 -0.061 -1.719 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.876 3.037 -2.298 1.00 0.00 C ATOM 1178 CG TYR A 74 -7.227 4.448 -1.814 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.796 4.893 -0.581 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.986 5.290 -2.601 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -7.120 6.160 -0.142 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -8.309 6.558 -2.161 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.879 7.003 -0.929 1.00 0.00 C ATOM 1184 OH TYR A 74 -8.203 8.269 -0.489 1.00 0.00 O ATOM 0 H TYR A 74 -6.051 2.147 -0.014 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.695 2.240 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.801 2.871 -2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.148 2.920 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.201 4.245 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.330 4.954 -3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.777 6.495 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.904 7.207 -2.787 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.741 8.724 -1.170 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.364 0.237 -2.896 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.263 -1.110 -3.533 1.00 0.00 C ATOM 1196 C ILE A 75 -8.200 -1.001 -5.050 1.00 0.00 C ATOM 1197 O ILE A 75 -8.894 -0.201 -5.649 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.508 -1.916 -3.161 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.605 -2.055 -1.648 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.378 -3.320 -3.776 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.012 -2.535 -1.276 1.00 0.00 C ATOM 0 H ILE A 75 -9.172 0.793 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.353 -1.594 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.397 -1.408 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.859 -2.763 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.395 -1.099 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.258 -3.911 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.298 -3.236 -4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.486 -3.808 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.087 -2.636 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.748 -1.810 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.203 -3.500 -1.745 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.363 -1.814 -5.642 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.230 -1.788 -7.122 1.00 0.00 C ATOM 1215 C LEU A 76 -7.093 -3.204 -7.664 1.00 0.00 C ATOM 1216 O LEU A 76 -6.945 -4.142 -6.912 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.952 -1.010 -7.489 1.00 0.00 C ATOM 1218 CG LEU A 76 -6.085 0.446 -7.043 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -4.704 1.079 -7.009 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -6.940 1.208 -8.042 1.00 0.00 C ATOM 0 H LEU A 76 -6.769 -2.491 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.115 -1.316 -7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.086 -1.469 -7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.784 -1.056 -8.565 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.546 0.483 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.788 2.118 -6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.072 0.535 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.260 1.038 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.034 2.246 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.471 1.172 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.929 0.754 -8.095 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.168 -3.328 -8.966 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.044 -4.672 -9.595 1.00 0.00 C ATOM 1234 C TYR A 77 -6.038 -4.601 -10.735 1.00 0.00 C ATOM 1235 O TYR A 77 -6.100 -3.702 -11.548 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.421 -5.088 -10.140 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.270 -5.624 -8.980 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.909 -4.756 -8.117 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.391 -6.983 -8.774 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.657 -5.242 -7.062 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.139 -7.467 -7.719 1.00 0.00 C ATOM 1242 CZ TYR A 77 -10.777 -6.600 -6.855 1.00 0.00 C ATOM 1243 OH TYR A 77 -11.523 -7.086 -5.800 1.00 0.00 O ATOM 0 H TYR A 77 -7.310 -2.556 -9.617 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.702 -5.403 -8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.915 -4.236 -10.607 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.307 -5.852 -10.909 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.824 -3.690 -8.268 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.897 -7.673 -9.442 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.152 -4.553 -6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.226 -8.533 -7.569 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.499 -8.066 -5.806 1.00 0.00 H new ATOM 1253 N SER A 78 -5.126 -5.555 -10.777 1.00 0.00 N ATOM 1254 CA SER A 78 -4.101 -5.546 -11.864 1.00 0.00 C ATOM 1255 C SER A 78 -4.195 -6.758 -12.776 1.00 0.00 C ATOM 1256 O SER A 78 -4.754 -7.789 -12.419 1.00 0.00 O ATOM 1257 CB SER A 78 -2.715 -5.548 -11.206 1.00 0.00 C ATOM 1258 OG SER A 78 -2.536 -6.890 -10.776 1.00 0.00 O ATOM 0 H SER A 78 -5.053 -6.326 -10.113 1.00 0.00 H new ATOM 0 HA SER A 78 -4.272 -4.660 -12.476 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.939 -5.249 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.671 -4.852 -10.368 1.00 0.00 H new ATOM 0 HG SER A 78 -1.663 -6.980 -10.341 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.627 -6.593 -13.948 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.628 -7.678 -14.955 1.00 0.00 C ATOM 1266 C HIS A 79 -2.199 -7.907 -15.462 1.00 0.00 C ATOM 1267 O HIS A 79 -1.412 -6.981 -15.510 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.519 -7.230 -16.128 1.00 0.00 C ATOM 1269 CG HIS A 79 -5.925 -6.916 -15.598 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -6.941 -7.609 -15.816 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.358 -5.868 -14.804 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -7.967 -7.123 -15.251 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.694 -6.003 -14.579 1.00 0.00 N ATOM 0 H HIS A 79 -3.159 -5.737 -14.244 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.003 -8.604 -14.519 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.093 -6.350 -16.609 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.568 -8.014 -16.884 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -6.945 -8.460 -16.378 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.736 -5.071 -14.424 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.951 -7.566 -15.307 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.892 -9.134 -15.832 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.510 -9.435 -16.336 1.00 0.00 C ATOM 1283 C ALA A 80 -0.528 -9.975 -17.768 1.00 0.00 C ATOM 1284 O ALA A 80 -1.387 -10.753 -18.136 1.00 0.00 O ATOM 1285 CB ALA A 80 0.105 -10.504 -15.413 1.00 0.00 C ATOM 0 H ALA A 80 -2.530 -9.929 -15.807 1.00 0.00 H new ATOM 0 HA ALA A 80 0.071 -8.513 -16.335 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.112 -10.744 -15.755 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.149 -10.122 -14.393 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.510 -11.403 -15.437 1.00 0.00 H new ATOM 1291 N VAL A 81 0.438 -9.548 -18.549 1.00 0.00 N ATOM 1292 CA VAL A 81 0.509 -10.019 -19.964 1.00 0.00 C ATOM 1293 C VAL A 81 1.951 -10.320 -20.356 1.00 0.00 C ATOM 1294 O VAL A 81 2.835 -9.555 -20.075 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.024 -8.902 -20.876 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.399 -9.298 -21.420 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.155 -7.609 -20.066 1.00 0.00 C ATOM 0 H VAL A 81 1.173 -8.899 -18.268 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.084 -10.927 -20.069 1.00 0.00 H new ATOM 0 HB VAL A 81 0.666 -8.749 -21.706 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.776 -8.506 -22.066 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.312 -10.222 -21.991 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.089 -9.449 -20.590 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.533 -6.814 -20.709 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.847 -7.766 -19.239 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.821 -7.325 -19.673 1.00 0.00 H new ATOM 1307 N SER A 82 2.161 -11.422 -21.016 1.00 0.00 N ATOM 1308 CA SER A 82 3.551 -11.757 -21.417 1.00 0.00 C ATOM 1309 C SER A 82 4.083 -10.737 -22.410 1.00 0.00 C ATOM 1310 O SER A 82 3.493 -10.503 -23.445 1.00 0.00 O ATOM 1311 CB SER A 82 3.563 -13.144 -22.073 1.00 0.00 C ATOM 1312 OG SER A 82 2.667 -13.020 -23.163 1.00 0.00 O ATOM 0 H SER A 82 1.444 -12.094 -21.291 1.00 0.00 H new ATOM 0 HA SER A 82 4.184 -11.749 -20.529 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.563 -13.417 -22.409 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.238 -13.917 -21.376 1.00 0.00 H new ATOM 0 HG SER A 82 1.757 -13.227 -22.864 1.00 0.00 H new ATOM 1318 N SER A 83 5.193 -10.144 -22.070 1.00 0.00 N ATOM 1319 CA SER A 83 5.790 -9.133 -22.970 1.00 0.00 C ATOM 1320 C SER A 83 5.937 -9.671 -24.385 1.00 0.00 C ATOM 1321 O SER A 83 6.359 -8.962 -25.276 1.00 0.00 O ATOM 1322 CB SER A 83 7.183 -8.777 -22.434 1.00 0.00 C ATOM 1323 OG SER A 83 7.638 -7.752 -23.306 1.00 0.00 O ATOM 0 H SER A 83 5.708 -10.319 -21.207 1.00 0.00 H new ATOM 0 HA SER A 83 5.138 -8.260 -23.000 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.136 -8.430 -21.402 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.849 -9.640 -22.451 1.00 0.00 H new ATOM 0 HG SER A 83 7.167 -6.917 -23.103 1.00 0.00 H new ATOM 1329 N ASN A 84 5.585 -10.911 -24.572 1.00 0.00 N ATOM 1330 CA ASN A 84 5.703 -11.493 -25.926 1.00 0.00 C ATOM 1331 C ASN A 84 4.457 -11.188 -26.746 1.00 0.00 C ATOM 1332 O ASN A 84 4.539 -10.959 -27.936 1.00 0.00 O ATOM 1333 CB ASN A 84 5.864 -13.018 -25.794 1.00 0.00 C ATOM 1334 CG ASN A 84 4.495 -13.663 -25.569 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.561 -13.503 -26.469 1.00 0.00 O flip ATOM 1336 ND2 ASN A 84 4.265 -14.324 -24.577 1.00 0.00 N flip ATOM 0 H ASN A 84 5.225 -11.537 -23.852 1.00 0.00 H new ATOM 0 HA ASN A 84 6.567 -11.061 -26.430 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.325 -13.424 -26.695 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.529 -13.253 -24.962 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.990 -14.453 -23.871 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.347 -14.751 -24.450 1.00 0.00 H new ATOM 1343 N GLY A 85 3.321 -11.190 -26.088 1.00 0.00 N ATOM 1344 CA GLY A 85 2.045 -10.899 -26.813 1.00 0.00 C ATOM 1345 C GLY A 85 0.943 -11.873 -26.389 1.00 0.00 C ATOM 1346 O GLY A 85 -0.108 -11.920 -27.000 1.00 0.00 O ATOM 0 H GLY A 85 3.223 -11.379 -25.090 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.730 -9.876 -26.608 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.208 -10.973 -27.888 1.00 0.00 H new ATOM 1350 N GLU A 86 1.207 -12.628 -25.348 1.00 0.00 N ATOM 1351 CA GLU A 86 0.190 -13.606 -24.863 1.00 0.00 C ATOM 1352 C GLU A 86 -0.394 -13.165 -23.525 1.00 0.00 C ATOM 1353 O GLU A 86 0.321 -12.766 -22.629 1.00 0.00 O ATOM 1354 CB GLU A 86 0.878 -14.969 -24.687 1.00 0.00 C ATOM 1355 CG GLU A 86 1.028 -15.630 -26.061 1.00 0.00 C ATOM 1356 CD GLU A 86 2.121 -16.698 -25.998 1.00 0.00 C ATOM 1357 OE1 GLU A 86 2.355 -17.169 -24.895 1.00 0.00 O ATOM 1358 OE2 GLU A 86 2.661 -16.984 -27.053 1.00 0.00 O ATOM 0 H GLU A 86 2.078 -12.607 -24.818 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.622 -13.669 -25.588 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.855 -14.841 -24.222 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.291 -15.605 -24.025 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.083 -16.080 -26.365 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.280 -14.880 -26.811 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.691 -13.239 -23.420 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.346 -12.828 -22.155 1.00 0.00 C ATOM 1367 C ALA A 87 -2.071 -13.817 -21.023 1.00 0.00 C ATOM 1368 O ALA A 87 -2.303 -15.003 -21.155 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.861 -12.762 -22.397 1.00 0.00 C ATOM 0 H ALA A 87 -2.320 -13.565 -24.153 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.945 -11.859 -21.858 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.364 -12.461 -21.478 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.073 -12.035 -23.181 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.223 -13.743 -22.704 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.577 -13.299 -19.930 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.272 -14.169 -18.761 1.00 0.00 C ATOM 1377 C VAL A 88 -1.685 -13.452 -17.491 1.00 0.00 C ATOM 1378 O VAL A 88 -1.090 -13.623 -16.448 1.00 0.00 O ATOM 1379 CB VAL A 88 0.252 -14.434 -18.714 1.00 0.00 C ATOM 1380 CG1 VAL A 88 0.773 -14.662 -20.131 1.00 0.00 C ATOM 1381 CG2 VAL A 88 0.968 -13.219 -18.110 1.00 0.00 C ATOM 0 H VAL A 88 -1.372 -12.309 -19.798 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.812 -15.112 -18.849 1.00 0.00 H new ATOM 0 HB VAL A 88 0.444 -15.316 -18.102 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.846 -14.849 -20.098 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.268 -15.522 -20.570 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.577 -13.778 -20.737 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.041 -13.408 -18.078 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.773 -12.339 -18.723 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.600 -13.045 -17.099 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.719 -12.670 -17.611 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.210 -11.917 -16.439 1.00 0.00 C ATOM 1393 C GLU A 89 -4.032 -12.771 -15.501 1.00 0.00 C ATOM 1394 O GLU A 89 -4.452 -13.860 -15.833 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.110 -10.780 -16.947 1.00 0.00 C ATOM 1396 CG GLU A 89 -5.489 -11.350 -17.302 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.318 -12.565 -18.219 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -4.712 -12.376 -19.260 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -5.808 -13.612 -17.828 1.00 0.00 O ATOM 0 H GLU A 89 -3.243 -12.523 -18.474 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.342 -11.552 -15.890 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.208 -10.008 -16.183 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.662 -10.308 -17.822 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.020 -11.638 -16.395 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.092 -10.589 -17.797 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.238 -12.241 -14.337 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.024 -12.952 -13.322 1.00 0.00 C ATOM 1408 C ASP A 90 -5.678 -11.921 -12.402 1.00 0.00 C ATOM 1409 O ASP A 90 -5.053 -10.945 -12.030 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.072 -13.830 -12.490 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.753 -15.107 -13.266 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.685 -15.872 -13.457 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -2.596 -15.247 -13.625 1.00 0.00 O ATOM 0 H ASP A 90 -3.886 -11.329 -14.047 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.787 -13.570 -13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.154 -13.285 -12.272 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.531 -14.078 -11.533 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.925 -12.137 -12.048 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.619 -11.206 -11.177 1.00 0.00 C ATOM 1420 C PRO A 91 -6.826 -10.974 -9.887 1.00 0.00 C ATOM 1421 O PRO A 91 -7.035 -11.644 -8.893 1.00 0.00 O ATOM 1422 CB PRO A 91 -8.984 -11.885 -10.879 1.00 0.00 C ATOM 1423 CG PRO A 91 -8.997 -13.247 -11.641 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.695 -13.320 -12.456 1.00 0.00 C ATOM 0 HA PRO A 91 -7.743 -10.225 -11.636 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.110 -12.042 -9.808 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.809 -11.252 -11.208 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.061 -14.080 -10.941 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.866 -13.314 -12.296 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.148 -14.239 -12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.898 -13.309 -13.527 1.00 0.00 H new ATOM 1432 N MET A 92 -5.906 -10.025 -9.937 1.00 0.00 N ATOM 1433 CA MET A 92 -5.087 -9.731 -8.728 1.00 0.00 C ATOM 1434 C MET A 92 -5.531 -8.424 -8.098 1.00 0.00 C ATOM 1435 O MET A 92 -5.449 -7.384 -8.710 1.00 0.00 O ATOM 1436 CB MET A 92 -3.616 -9.605 -9.155 1.00 0.00 C ATOM 1437 CG MET A 92 -2.980 -10.999 -9.180 1.00 0.00 C ATOM 1438 SD MET A 92 -2.999 -11.951 -7.638 1.00 0.00 S ATOM 1439 CE MET A 92 -1.623 -11.102 -6.828 1.00 0.00 C ATOM 0 H MET A 92 -5.697 -9.455 -10.756 1.00 0.00 H new ATOM 0 HA MET A 92 -5.211 -10.534 -8.002 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.549 -9.143 -10.140 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.077 -8.958 -8.462 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.487 -11.587 -9.945 1.00 0.00 H new ATOM 0 HG3 MET A 92 -1.943 -10.890 -9.496 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.457 -11.537 -5.842 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.721 -11.213 -7.431 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.860 -10.043 -6.722 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.996 -8.498 -6.883 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.450 -7.261 -6.204 1.00 0.00 C ATOM 1451 C GLU A 93 -5.328 -6.630 -5.385 1.00 0.00 C ATOM 1452 O GLU A 93 -4.822 -7.227 -4.455 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.611 -7.624 -5.262 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.336 -8.986 -4.620 1.00 0.00 C ATOM 1455 CD GLU A 93 -7.765 -10.099 -5.579 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -8.837 -9.946 -6.141 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -6.997 -11.040 -5.695 1.00 0.00 O ATOM 0 H GLU A 93 -6.080 -9.356 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.764 -6.542 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.721 -6.861 -4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.549 -7.654 -5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.276 -9.082 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.879 -9.073 -3.679 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.958 -5.429 -5.752 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.876 -4.735 -5.013 1.00 0.00 C ATOM 1466 C ILE A 94 -4.455 -3.928 -3.861 1.00 0.00 C ATOM 1467 O ILE A 94 -5.364 -3.139 -4.053 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.167 -3.774 -5.973 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -2.129 -4.523 -6.787 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.450 -2.690 -5.145 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.555 -3.583 -7.850 1.00 0.00 C ATOM 0 H ILE A 94 -5.361 -4.906 -6.530 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.180 -5.476 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.901 -3.328 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.333 -4.888 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.580 -5.396 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.940 -1.998 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.181 -2.145 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.721 -3.159 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.808 -4.114 -8.440 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.357 -3.240 -8.504 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.091 -2.725 -7.364 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.918 -4.139 -2.688 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.421 -3.394 -1.505 1.00 0.00 C ATOM 1485 C VAL A 95 -3.474 -2.264 -1.126 1.00 0.00 C ATOM 1486 O VAL A 95 -2.356 -2.502 -0.712 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.511 -4.370 -0.325 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -4.847 -3.586 0.945 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.619 -5.387 -0.600 1.00 0.00 C ATOM 0 H VAL A 95 -3.157 -4.792 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.395 -2.967 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.561 -4.889 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.913 -4.272 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.066 -2.850 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.802 -3.076 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.688 -6.084 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.569 -4.867 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.390 -5.936 -1.513 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.944 -1.051 -1.281 1.00 0.00 N ATOM 1500 CA ILE A 96 -3.094 0.118 -0.935 1.00 0.00 C ATOM 1501 C ILE A 96 -3.519 0.724 0.392 1.00 0.00 C ATOM 1502 O ILE A 96 -4.643 1.148 0.546 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.257 1.186 -2.026 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.377 0.851 -3.217 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.812 2.544 -1.451 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.926 1.563 -4.452 1.00 0.00 C ATOM 0 H ILE A 96 -4.875 -0.825 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.059 -0.215 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.298 1.223 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.350 1.163 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.357 -0.227 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.921 3.315 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.431 2.795 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.768 2.484 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.301 1.330 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.946 1.228 -4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.923 2.640 -4.283 1.00 0.00 H new ATOM 1518 N THR A 97 -2.614 0.745 1.334 1.00 0.00 N ATOM 1519 CA THR A 97 -2.954 1.324 2.657 1.00 0.00 C ATOM 1520 C THR A 97 -2.497 2.774 2.724 1.00 0.00 C ATOM 1521 O THR A 97 -1.525 3.158 2.082 1.00 0.00 O ATOM 1522 CB THR A 97 -2.238 0.516 3.749 1.00 0.00 C ATOM 1523 OG1 THR A 97 -2.991 0.735 4.924 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.858 1.108 4.062 1.00 0.00 C ATOM 0 H THR A 97 -1.663 0.388 1.242 1.00 0.00 H new ATOM 0 HA THR A 97 -4.033 1.285 2.805 1.00 0.00 H new ATOM 0 HB THR A 97 -2.141 -0.523 3.433 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.587 0.242 5.668 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.375 0.515 4.839 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.244 1.095 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.973 2.135 4.409 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.193 3.563 3.493 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.800 4.988 3.601 1.00 0.00 C ATOM 1534 C VAL A 98 -1.786 5.200 4.713 1.00 0.00 C ATOM 1535 O VAL A 98 -1.782 4.493 5.701 1.00 0.00 O ATOM 1536 CB VAL A 98 -4.048 5.814 3.913 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.636 7.260 4.181 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.976 5.778 2.707 1.00 0.00 C ATOM 0 H VAL A 98 -4.006 3.285 4.043 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.347 5.296 2.658 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.555 5.406 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.521 7.855 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.953 7.292 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.139 7.666 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.870 6.364 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.464 6.197 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.260 4.747 2.497 1.00 0.00 H new ATOM 1548 N THR A 99 -0.942 6.179 4.527 1.00 0.00 N ATOM 1549 CA THR A 99 0.086 6.464 5.554 1.00 0.00 C ATOM 1550 C THR A 99 0.382 7.956 5.618 1.00 0.00 C ATOM 1551 O THR A 99 0.293 8.651 4.626 1.00 0.00 O ATOM 1552 CB THR A 99 1.373 5.729 5.164 1.00 0.00 C ATOM 1553 OG1 THR A 99 0.951 4.496 4.615 1.00 0.00 O ATOM 1554 CG2 THR A 99 2.180 5.341 6.411 1.00 0.00 C ATOM 0 H THR A 99 -0.924 6.789 3.709 1.00 0.00 H new ATOM 0 HA THR A 99 -0.279 6.133 6.526 1.00 0.00 H new ATOM 0 HB THR A 99 1.970 6.357 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.734 3.974 4.342 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.089 4.821 6.109 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.445 6.240 6.967 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.580 4.686 7.043 1.00 0.00 H new ATOM 1562 N ASP A 100 0.733 8.423 6.784 1.00 0.00 N ATOM 1563 CA ASP A 100 1.039 9.868 6.924 1.00 0.00 C ATOM 1564 C ASP A 100 2.077 10.295 5.892 1.00 0.00 C ATOM 1565 O ASP A 100 2.909 9.510 5.487 1.00 0.00 O ATOM 1566 CB ASP A 100 1.613 10.106 8.330 1.00 0.00 C ATOM 1567 CG ASP A 100 2.347 8.847 8.795 1.00 0.00 C ATOM 1568 OD1 ASP A 100 3.324 8.517 8.142 1.00 0.00 O ATOM 1569 OD2 ASP A 100 1.891 8.285 9.777 1.00 0.00 O ATOM 0 H ASP A 100 0.820 7.870 7.637 1.00 0.00 H new ATOM 0 HA ASP A 100 0.128 10.447 6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.296 10.956 8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.811 10.352 9.026 1.00 0.00 H new ATOM 1574 N GLN A 101 2.008 11.531 5.482 1.00 0.00 N ATOM 1575 CA GLN A 101 2.985 12.020 4.476 1.00 0.00 C ATOM 1576 C GLN A 101 4.415 11.810 4.959 1.00 0.00 C ATOM 1577 O GLN A 101 4.989 10.754 4.777 1.00 0.00 O ATOM 1578 CB GLN A 101 2.754 13.524 4.263 1.00 0.00 C ATOM 1579 CG GLN A 101 2.263 14.146 5.571 1.00 0.00 C ATOM 1580 CD GLN A 101 2.335 15.671 5.463 1.00 0.00 C ATOM 1581 OE1 GLN A 101 1.516 16.296 4.822 1.00 0.00 O ATOM 1582 NE2 GLN A 101 3.300 16.305 6.073 1.00 0.00 N ATOM 0 H GLN A 101 1.323 12.217 5.798 1.00 0.00 H new ATOM 0 HA GLN A 101 2.844 11.465 3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 101 3.678 14.004 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.021 13.683 3.472 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.239 13.832 5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.874 13.799 6.404 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.991 15.784 6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.363 17.321 6.009 1.00 0.00 H new ATOM 1591 N ASN A 102 4.969 12.826 5.563 1.00 0.00 N ATOM 1592 CA ASN A 102 6.358 12.707 6.065 1.00 0.00 C ATOM 1593 C ASN A 102 6.738 13.927 6.892 1.00 0.00 C ATOM 1594 O ASN A 102 7.736 14.569 6.635 1.00 0.00 O ATOM 1595 CB ASN A 102 7.304 12.612 4.860 1.00 0.00 C ATOM 1596 CG ASN A 102 6.893 13.644 3.812 1.00 0.00 C ATOM 1597 OD1 ASN A 102 6.427 14.720 4.132 1.00 0.00 O ATOM 1598 ND2 ASN A 102 7.049 13.358 2.549 1.00 0.00 N ATOM 0 H ASN A 102 4.519 13.726 5.728 1.00 0.00 H new ATOM 0 HA ASN A 102 6.435 11.820 6.693 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.332 12.787 5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.268 11.610 4.433 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.780 14.036 1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.440 12.457 2.275 1.00 0.00 H new ATOM 1605 N ASP A 103 5.931 14.223 7.873 1.00 0.00 N ATOM 1606 CA ASP A 103 6.225 15.395 8.730 1.00 0.00 C ATOM 1607 C ASP A 103 7.012 14.978 9.967 1.00 0.00 C ATOM 1608 O ASP A 103 6.470 14.388 10.881 1.00 0.00 O ATOM 1609 CB ASP A 103 4.889 16.013 9.173 1.00 0.00 C ATOM 1610 CG ASP A 103 5.125 17.450 9.647 1.00 0.00 C ATOM 1611 OD1 ASP A 103 6.058 17.619 10.415 1.00 0.00 O ATOM 1612 OD2 ASP A 103 4.361 18.296 9.213 1.00 0.00 O ATOM 0 H ASP A 103 5.086 13.705 8.114 1.00 0.00 H new ATOM 0 HA ASP A 103 6.821 16.112 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.179 16.003 8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.450 15.421 9.976 1.00 0.00 H new ATOM 1617 N ASN A 104 8.280 15.289 9.974 1.00 0.00 N ATOM 1618 CA ASN A 104 9.116 14.920 11.143 1.00 0.00 C ATOM 1619 C ASN A 104 10.238 15.929 11.347 1.00 0.00 C ATOM 1620 O ASN A 104 11.362 15.557 11.050 1.00 0.00 O ATOM 1621 CB ASN A 104 9.736 13.540 10.880 1.00 0.00 C ATOM 1622 CG ASN A 104 10.749 13.224 11.984 1.00 0.00 C ATOM 1623 OD1 ASN A 104 12.022 13.267 11.706 1.00 0.00 O flip ATOM 1624 ND2 ASN A 104 10.389 12.937 13.108 1.00 0.00 N flip ATOM 1625 OXT ASN A 104 9.911 17.018 11.790 1.00 0.00 O ATOM 0 H ASN A 104 8.767 15.780 9.224 1.00 0.00 H new ATOM 0 HA ASN A 104 8.491 14.906 12.036 1.00 0.00 H new ATOM 0 HB2 ASN A 104 8.958 12.777 10.855 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.226 13.528 9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.394 12.902 13.332 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.081 12.731 13.828 1.00 0.00 H new TER 1632 ASN A 104