USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 681 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 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 HIS : no HE2:sc= 0 X(o=0,f=-0.008) USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 161:sc= 1.21 (180deg=1.19) USER MOD Set 3.1: A 33 ASN : amide:sc= 0.531 K(o=1.2,f=-3) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 180:sc= 0.664 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ -106:sc= 0.0586 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 0.776 (180deg=0.66) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.17 K(o=1.2,f=-3!) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00851 USER MOD Single : A 13 HIS : no HE2:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 14 MET CE :methyl -175:sc= 0 (180deg=-0.0461) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.1 (180deg=0.896) USER MOD Single : A 32 CYS SG : rot -160:sc= -0.0751 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0032 X(o=-0.0032,f=-0.26) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.14) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.127 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.294 K(o=-0.29,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.861 5.153 5.739 1.00 0.00 N ATOM 2 CA GLU A 1 4.345 5.042 5.717 1.00 0.00 C ATOM 3 C GLU A 1 4.937 5.835 6.894 1.00 0.00 C ATOM 4 O GLU A 1 4.351 6.827 7.337 1.00 0.00 O ATOM 5 CB GLU A 1 4.907 5.482 4.343 1.00 0.00 C ATOM 6 CG GLU A 1 6.419 5.270 4.143 1.00 0.00 C ATOM 7 CD GLU A 1 6.851 3.811 4.376 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.085 3.446 5.553 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.943 3.034 3.398 1.00 0.00 O ATOM 0 H1 GLU A 1 2.451 4.255 6.066 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.580 5.918 6.385 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.514 5.363 4.781 1.00 0.00 H new ATOM 0 HA GLU A 1 4.642 4.001 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.376 4.938 3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.685 6.540 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 1 6.693 5.568 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.966 5.920 4.826 1.00 0.00 H new ATOM 18 N ASP A 2 6.087 5.397 7.421 1.00 0.00 N ATOM 19 CA ASP A 2 6.750 6.033 8.564 1.00 0.00 C ATOM 20 C ASP A 2 7.432 7.342 8.154 1.00 0.00 C ATOM 21 O ASP A 2 7.322 8.354 8.853 1.00 0.00 O ATOM 22 CB ASP A 2 7.773 5.069 9.168 1.00 0.00 C ATOM 23 CG ASP A 2 8.591 5.760 10.273 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.086 5.883 11.416 1.00 0.00 O ATOM 25 OD2 ASP A 2 9.752 6.152 9.998 1.00 0.00 O ATOM 0 H ASP A 2 6.587 4.584 7.062 1.00 0.00 H new ATOM 0 HA ASP A 2 5.993 6.273 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.261 4.199 9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.442 4.706 8.388 1.00 0.00 H new ATOM 30 N ARG A 3 8.095 7.341 6.992 1.00 0.00 N ATOM 31 CA ARG A 3 8.640 8.550 6.374 1.00 0.00 C ATOM 32 C ARG A 3 7.497 9.348 5.746 1.00 0.00 C ATOM 33 O ARG A 3 6.517 8.771 5.271 1.00 0.00 O ATOM 34 CB ARG A 3 9.723 8.192 5.336 1.00 0.00 C ATOM 35 CG ARG A 3 11.147 8.050 5.903 1.00 0.00 C ATOM 36 CD ARG A 3 11.306 7.045 7.053 1.00 0.00 C ATOM 37 NE ARG A 3 12.734 6.829 7.360 1.00 0.00 N ATOM 38 CZ ARG A 3 13.250 6.365 8.508 1.00 0.00 C ATOM 39 NH1 ARG A 3 12.475 6.055 9.546 1.00 0.00 N ATOM 40 NH2 ARG A 3 14.570 6.211 8.613 1.00 0.00 N ATOM 0 H ARG A 3 8.268 6.493 6.452 1.00 0.00 H new ATOM 0 HA ARG A 3 9.120 9.166 7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 3 9.446 7.255 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.731 8.960 4.562 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.814 7.756 5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.480 9.028 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.790 7.414 7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.839 6.098 6.783 1.00 0.00 H new ATOM 0 HE ARG A 3 13.399 7.057 6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.464 6.169 9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.893 5.704 10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.175 6.445 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.975 5.859 9.480 1.00 0.00 H new ATOM 54 N SER A 4 7.646 10.673 5.699 1.00 0.00 N ATOM 55 CA SER A 4 6.618 11.583 5.197 1.00 0.00 C ATOM 56 C SER A 4 6.440 11.484 3.672 1.00 0.00 C ATOM 57 O SER A 4 5.354 11.785 3.173 1.00 0.00 O ATOM 58 CB SER A 4 6.980 13.017 5.619 1.00 0.00 C ATOM 59 OG SER A 4 7.328 13.071 7.000 1.00 0.00 O ATOM 0 H SER A 4 8.493 11.148 6.012 1.00 0.00 H new ATOM 0 HA SER A 4 5.660 11.297 5.632 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.813 13.378 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.137 13.680 5.427 1.00 0.00 H new ATOM 0 HG SER A 4 7.556 13.992 7.244 1.00 0.00 H new ATOM 65 N LYS A 5 7.487 11.057 2.945 1.00 0.00 N ATOM 66 CA LYS A 5 7.550 10.928 1.482 1.00 0.00 C ATOM 67 C LYS A 5 7.092 12.224 0.798 1.00 0.00 C ATOM 68 O LYS A 5 5.930 12.365 0.418 1.00 0.00 O ATOM 69 CB LYS A 5 6.795 9.652 1.035 1.00 0.00 C ATOM 70 CG LYS A 5 6.961 9.299 -0.455 1.00 0.00 C ATOM 71 CD LYS A 5 8.368 8.792 -0.828 1.00 0.00 C ATOM 72 CE LYS A 5 8.591 8.649 -2.347 1.00 0.00 C ATOM 73 NZ LYS A 5 7.673 7.677 -2.996 1.00 0.00 N ATOM 0 H LYS A 5 8.361 10.777 3.390 1.00 0.00 H new ATOM 0 HA LYS A 5 8.582 10.794 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.142 8.811 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.734 9.780 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.229 8.536 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.734 10.181 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.111 9.479 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.535 7.825 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.465 9.624 -2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.620 8.339 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.723 7.789 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.954 6.709 -2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.699 7.852 -2.675 1.00 0.00 H new ATOM 87 N THR A 6 8.012 13.172 0.646 1.00 0.00 N ATOM 88 CA THR A 6 7.747 14.511 0.117 1.00 0.00 C ATOM 89 C THR A 6 7.211 14.495 -1.319 1.00 0.00 C ATOM 90 O THR A 6 6.449 15.379 -1.710 1.00 0.00 O ATOM 91 CB THR A 6 9.070 15.295 0.196 1.00 0.00 C ATOM 92 OG1 THR A 6 9.523 15.315 1.544 1.00 0.00 O ATOM 93 CG2 THR A 6 8.931 16.723 -0.339 1.00 0.00 C ATOM 0 H THR A 6 8.991 13.028 0.894 1.00 0.00 H new ATOM 0 HA THR A 6 6.964 14.983 0.711 1.00 0.00 H new ATOM 0 HB THR A 6 9.800 14.789 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.366 15.812 1.598 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.890 17.235 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.619 16.692 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.185 17.260 0.247 1.00 0.00 H new ATOM 101 N THR A 7 7.609 13.518 -2.121 1.00 0.00 N ATOM 102 CA THR A 7 7.352 13.509 -3.551 1.00 0.00 C ATOM 103 C THR A 7 6.782 12.165 -3.978 1.00 0.00 C ATOM 104 O THR A 7 7.043 11.137 -3.357 1.00 0.00 O ATOM 105 CB THR A 7 8.654 13.871 -4.297 1.00 0.00 C ATOM 106 OG1 THR A 7 9.794 13.347 -3.621 1.00 0.00 O ATOM 107 CG2 THR A 7 8.804 15.393 -4.406 1.00 0.00 C ATOM 0 H THR A 7 8.125 12.702 -1.792 1.00 0.00 H new ATOM 0 HA THR A 7 6.601 14.257 -3.807 1.00 0.00 H new ATOM 0 HB THR A 7 8.593 13.432 -5.293 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.606 13.588 -4.114 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.727 15.631 -4.935 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.956 15.804 -4.954 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.836 15.828 -3.407 1.00 0.00 H new ATOM 115 N ASN A 8 6.003 12.172 -5.056 1.00 0.00 N ATOM 116 CA ASN A 8 5.552 10.948 -5.719 1.00 0.00 C ATOM 117 C ASN A 8 6.167 10.969 -7.104 1.00 0.00 C ATOM 118 O ASN A 8 6.024 11.979 -7.794 1.00 0.00 O ATOM 119 CB ASN A 8 4.022 10.852 -5.795 1.00 0.00 C ATOM 120 CG ASN A 8 3.340 10.859 -4.435 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.691 11.831 -4.075 1.00 0.00 O ATOM 122 ND2 ASN A 8 3.457 9.805 -3.643 1.00 0.00 N ATOM 0 H ASN A 8 5.665 13.027 -5.497 1.00 0.00 H new ATOM 0 HA ASN A 8 5.866 10.072 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.643 11.686 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.750 9.938 -6.323 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.005 9.801 -2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.999 8.996 -3.947 1.00 0.00 H new ATOM 129 N THR A 9 6.829 9.889 -7.509 1.00 0.00 N ATOM 130 CA THR A 9 7.489 9.802 -8.803 1.00 0.00 C ATOM 131 C THR A 9 6.856 8.680 -9.615 1.00 0.00 C ATOM 132 O THR A 9 6.582 7.589 -9.112 1.00 0.00 O ATOM 133 CB THR A 9 9.011 9.636 -8.638 1.00 0.00 C ATOM 134 OG1 THR A 9 9.529 10.729 -7.898 1.00 0.00 O ATOM 135 CG2 THR A 9 9.744 9.491 -9.983 1.00 0.00 C ATOM 0 H THR A 9 6.922 9.045 -6.943 1.00 0.00 H new ATOM 0 HA THR A 9 7.348 10.733 -9.352 1.00 0.00 H new ATOM 0 HB THR A 9 9.185 8.707 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.497 10.622 -7.792 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.813 9.377 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.369 8.613 -10.509 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.570 10.380 -10.590 1.00 0.00 H new ATOM 143 N TRP A 10 6.680 8.943 -10.903 1.00 0.00 N ATOM 144 CA TRP A 10 6.174 8.003 -11.882 1.00 0.00 C ATOM 145 C TRP A 10 7.055 8.110 -13.116 1.00 0.00 C ATOM 146 O TRP A 10 7.687 9.140 -13.342 1.00 0.00 O ATOM 147 CB TRP A 10 4.716 8.357 -12.206 1.00 0.00 C ATOM 148 CG TRP A 10 3.790 8.370 -11.028 1.00 0.00 C ATOM 149 CD1 TRP A 10 3.169 7.291 -10.520 1.00 0.00 C ATOM 150 CD2 TRP A 10 3.331 9.491 -10.223 1.00 0.00 C ATOM 151 NE1 TRP A 10 2.379 7.650 -9.448 1.00 0.00 N ATOM 152 CE2 TRP A 10 2.408 9.013 -9.245 1.00 0.00 C ATOM 153 CE3 TRP A 10 3.562 10.878 -10.262 1.00 0.00 C ATOM 154 CZ2 TRP A 10 1.728 9.875 -8.371 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.861 11.756 -9.418 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.940 11.260 -8.477 1.00 0.00 C ATOM 0 H TRP A 10 6.896 9.855 -11.306 1.00 0.00 H new ATOM 0 HA TRP A 10 6.197 6.979 -11.508 1.00 0.00 H new ATOM 0 HB2 TRP A 10 4.693 9.339 -12.678 1.00 0.00 H new ATOM 0 HB3 TRP A 10 4.339 7.643 -12.938 1.00 0.00 H new ATOM 0 HD1 TRP A 10 3.274 6.285 -10.898 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.844 6.993 -8.880 1.00 0.00 H new ATOM 0 HE3 TRP A 10 4.291 11.275 -10.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 1.052 9.480 -7.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 3.031 12.820 -9.492 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.398 11.942 -7.838 1.00 0.00 H new ATOM 167 N VAL A 11 7.086 7.065 -13.927 1.00 0.00 N ATOM 168 CA VAL A 11 7.689 7.090 -15.245 1.00 0.00 C ATOM 169 C VAL A 11 6.627 6.629 -16.242 1.00 0.00 C ATOM 170 O VAL A 11 5.861 5.704 -15.956 1.00 0.00 O ATOM 171 CB VAL A 11 9.026 6.323 -15.258 1.00 0.00 C ATOM 172 CG1 VAL A 11 8.871 4.828 -14.944 1.00 0.00 C ATOM 173 CG2 VAL A 11 9.766 6.529 -16.590 1.00 0.00 C ATOM 0 H VAL A 11 6.685 6.160 -13.681 1.00 0.00 H new ATOM 0 HA VAL A 11 7.988 8.093 -15.550 1.00 0.00 H new ATOM 0 HB VAL A 11 9.627 6.745 -14.452 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.849 4.348 -14.969 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.433 4.708 -13.953 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.220 4.366 -15.686 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.706 5.977 -16.573 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.147 6.166 -17.410 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.971 7.590 -16.732 1.00 0.00 H new ATOM 183 N LEU A 12 6.550 7.307 -17.386 1.00 0.00 N ATOM 184 CA LEU A 12 5.579 7.054 -18.437 1.00 0.00 C ATOM 185 C LEU A 12 6.345 6.752 -19.705 1.00 0.00 C ATOM 186 O LEU A 12 7.162 7.572 -20.121 1.00 0.00 O ATOM 187 CB LEU A 12 4.697 8.292 -18.680 1.00 0.00 C ATOM 188 CG LEU A 12 3.880 8.789 -17.486 1.00 0.00 C ATOM 189 CD1 LEU A 12 3.161 10.079 -17.897 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.883 7.708 -17.071 1.00 0.00 C ATOM 0 H LEU A 12 7.186 8.073 -17.609 1.00 0.00 H new ATOM 0 HA LEU A 12 4.937 6.223 -18.145 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.337 9.107 -19.019 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.009 8.067 -19.495 1.00 0.00 H new ATOM 0 HG LEU A 12 4.525 8.999 -16.633 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.572 10.450 -17.058 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.897 10.830 -18.184 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.502 9.875 -18.741 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.299 8.059 -16.220 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.215 7.490 -17.904 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.423 6.803 -16.792 1.00 0.00 H new ATOM 202 N HIS A 13 6.065 5.614 -20.332 1.00 0.00 N ATOM 203 CA HIS A 13 6.566 5.321 -21.661 1.00 0.00 C ATOM 204 C HIS A 13 5.491 5.771 -22.646 1.00 0.00 C ATOM 205 O HIS A 13 4.364 5.267 -22.594 1.00 0.00 O ATOM 206 CB HIS A 13 6.918 3.836 -21.812 1.00 0.00 C ATOM 207 CG HIS A 13 7.342 3.484 -23.216 1.00 0.00 C ATOM 208 ND1 HIS A 13 6.669 2.657 -24.089 1.00 0.00 N ATOM 209 CD2 HIS A 13 8.433 3.976 -23.887 1.00 0.00 C ATOM 210 CE1 HIS A 13 7.339 2.651 -25.256 1.00 0.00 C ATOM 211 NE2 HIS A 13 8.426 3.442 -25.182 1.00 0.00 N ATOM 0 H HIS A 13 5.487 4.875 -19.932 1.00 0.00 H new ATOM 0 HA HIS A 13 7.496 5.855 -21.856 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.721 3.584 -21.119 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.055 3.231 -21.534 1.00 0.00 H new ATOM 0 HD1 HIS A 13 5.813 2.140 -23.886 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.169 4.657 -23.486 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.045 2.090 -26.131 1.00 0.00 H new ATOM 219 N MET A 14 5.812 6.733 -23.513 1.00 0.00 N ATOM 220 CA MET A 14 4.894 7.314 -24.481 1.00 0.00 C ATOM 221 C MET A 14 5.683 7.676 -25.737 1.00 0.00 C ATOM 222 O MET A 14 6.759 8.261 -25.637 1.00 0.00 O ATOM 223 CB MET A 14 4.192 8.564 -23.913 1.00 0.00 C ATOM 224 CG MET A 14 3.394 8.295 -22.628 1.00 0.00 C ATOM 225 SD MET A 14 2.366 9.658 -21.999 1.00 0.00 S ATOM 226 CE MET A 14 3.600 10.972 -21.796 1.00 0.00 C ATOM 0 H MET A 14 6.747 7.138 -23.558 1.00 0.00 H new ATOM 0 HA MET A 14 4.117 6.587 -24.718 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.941 9.330 -23.711 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.519 8.967 -24.670 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.747 7.435 -22.804 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.097 8.011 -21.845 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.133 11.841 -21.333 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.411 10.615 -21.161 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.999 11.250 -22.771 1.00 0.00 H new ATOM 236 N ASP A 15 5.148 7.343 -26.914 1.00 0.00 N ATOM 237 CA ASP A 15 5.715 7.691 -28.228 1.00 0.00 C ATOM 238 C ASP A 15 7.214 7.358 -28.358 1.00 0.00 C ATOM 239 O ASP A 15 7.998 8.097 -28.963 1.00 0.00 O ATOM 240 CB ASP A 15 5.357 9.136 -28.607 1.00 0.00 C ATOM 241 CG ASP A 15 5.678 9.454 -30.081 1.00 0.00 C ATOM 242 OD1 ASP A 15 5.379 8.617 -30.970 1.00 0.00 O ATOM 243 OD2 ASP A 15 6.168 10.574 -30.370 1.00 0.00 O ATOM 0 H ASP A 15 4.283 6.808 -26.986 1.00 0.00 H new ATOM 0 HA ASP A 15 5.246 7.045 -28.970 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.296 9.304 -28.425 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.904 9.824 -27.962 1.00 0.00 H new ATOM 248 N GLY A 16 7.628 6.230 -27.767 1.00 0.00 N ATOM 249 CA GLY A 16 8.996 5.730 -27.833 1.00 0.00 C ATOM 250 C GLY A 16 9.980 6.450 -26.903 1.00 0.00 C ATOM 251 O GLY A 16 11.187 6.201 -27.001 1.00 0.00 O ATOM 0 H GLY A 16 7.006 5.633 -27.221 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.994 4.668 -27.587 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.353 5.819 -28.859 1.00 0.00 H new ATOM 255 N GLU A 17 9.507 7.328 -26.015 1.00 0.00 N ATOM 256 CA GLU A 17 10.289 8.023 -25.008 1.00 0.00 C ATOM 257 C GLU A 17 9.795 7.649 -23.611 1.00 0.00 C ATOM 258 O GLU A 17 8.640 7.261 -23.431 1.00 0.00 O ATOM 259 CB GLU A 17 10.256 9.548 -25.225 1.00 0.00 C ATOM 260 CG GLU A 17 11.209 9.967 -26.350 1.00 0.00 C ATOM 261 CD GLU A 17 11.246 11.496 -26.522 1.00 0.00 C ATOM 262 OE1 GLU A 17 12.074 12.162 -25.851 1.00 0.00 O ATOM 263 OE2 GLU A 17 10.479 12.048 -27.351 1.00 0.00 O ATOM 0 H GLU A 17 8.519 7.581 -25.983 1.00 0.00 H new ATOM 0 HA GLU A 17 11.329 7.709 -25.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.241 9.862 -25.469 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.534 10.056 -24.301 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.212 9.600 -26.133 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.895 9.503 -27.285 1.00 0.00 H new ATOM 270 N ASN A 18 10.675 7.770 -22.612 1.00 0.00 N ATOM 271 CA ASN A 18 10.333 7.635 -21.205 1.00 0.00 C ATOM 272 C ASN A 18 10.384 9.016 -20.570 1.00 0.00 C ATOM 273 O ASN A 18 11.422 9.679 -20.611 1.00 0.00 O ATOM 274 CB ASN A 18 11.249 6.641 -20.472 1.00 0.00 C ATOM 275 CG ASN A 18 10.719 5.216 -20.580 1.00 0.00 C ATOM 276 OD1 ASN A 18 9.871 4.802 -19.796 1.00 0.00 O ATOM 277 ND2 ASN A 18 11.172 4.447 -21.559 1.00 0.00 N ATOM 0 H ASN A 18 11.663 7.969 -22.769 1.00 0.00 H new ATOM 0 HA ASN A 18 9.328 7.223 -21.120 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.253 6.691 -20.893 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.329 6.923 -19.422 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.816 3.498 -21.668 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.877 4.804 -22.204 1.00 0.00 H new ATOM 284 N PHE A 19 9.275 9.432 -19.962 1.00 0.00 N ATOM 285 CA PHE A 19 9.121 10.710 -19.275 1.00 0.00 C ATOM 286 C PHE A 19 8.997 10.440 -17.779 1.00 0.00 C ATOM 287 O PHE A 19 8.098 9.709 -17.368 1.00 0.00 O ATOM 288 CB PHE A 19 7.858 11.433 -19.781 1.00 0.00 C ATOM 289 CG PHE A 19 7.864 11.750 -21.263 1.00 0.00 C ATOM 290 CD1 PHE A 19 7.427 10.786 -22.191 1.00 0.00 C ATOM 291 CD2 PHE A 19 8.312 13.007 -21.713 1.00 0.00 C ATOM 292 CE1 PHE A 19 7.469 11.069 -23.566 1.00 0.00 C ATOM 293 CE2 PHE A 19 8.354 13.283 -23.091 1.00 0.00 C ATOM 294 CZ PHE A 19 7.946 12.309 -24.020 1.00 0.00 C ATOM 0 H PHE A 19 8.427 8.865 -19.934 1.00 0.00 H new ATOM 0 HA PHE A 19 9.985 11.344 -19.472 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.988 10.815 -19.558 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.740 12.363 -19.224 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.060 9.831 -21.846 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.623 13.757 -21.001 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.133 10.329 -24.277 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.701 14.246 -23.437 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.999 12.514 -25.079 1.00 0.00 H new ATOM 304 N ARG A 20 9.871 11.015 -16.950 1.00 0.00 N ATOM 305 CA ARG A 20 9.683 11.000 -15.503 1.00 0.00 C ATOM 306 C ARG A 20 8.694 12.090 -15.140 1.00 0.00 C ATOM 307 O ARG A 20 8.740 13.177 -15.706 1.00 0.00 O ATOM 308 CB ARG A 20 11.008 11.134 -14.745 1.00 0.00 C ATOM 309 CG ARG A 20 11.739 9.782 -14.768 1.00 0.00 C ATOM 310 CD ARG A 20 12.374 9.513 -13.410 1.00 0.00 C ATOM 311 NE ARG A 20 13.168 8.268 -13.416 1.00 0.00 N ATOM 312 CZ ARG A 20 13.995 7.855 -12.442 1.00 0.00 C ATOM 313 NH1 ARG A 20 14.145 8.567 -11.325 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.672 6.722 -12.594 1.00 0.00 N ATOM 0 H ARG A 20 10.715 11.496 -17.259 1.00 0.00 H new ATOM 0 HA ARG A 20 9.280 10.034 -15.199 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.628 11.904 -15.204 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.823 11.444 -13.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.039 8.984 -15.016 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.505 9.786 -15.543 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.014 10.351 -13.135 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.595 9.444 -12.651 1.00 0.00 H new ATOM 0 HE ARG A 20 13.080 7.667 -14.235 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.628 9.438 -11.202 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.777 8.241 -10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.562 6.172 -13.446 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.302 6.402 -11.859 1.00 0.00 H new ATOM 328 N ILE A 21 7.845 11.797 -14.168 1.00 0.00 N ATOM 329 CA ILE A 21 6.926 12.727 -13.540 1.00 0.00 C ATOM 330 C ILE A 21 7.307 12.719 -12.074 1.00 0.00 C ATOM 331 O ILE A 21 7.448 11.637 -11.511 1.00 0.00 O ATOM 332 CB ILE A 21 5.451 12.305 -13.714 1.00 0.00 C ATOM 333 CG1 ILE A 21 5.086 12.059 -15.189 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.480 13.304 -13.045 1.00 0.00 C ATOM 335 CD1 ILE A 21 5.116 13.288 -16.098 1.00 0.00 C ATOM 0 H ILE A 21 7.776 10.857 -13.778 1.00 0.00 H new ATOM 0 HA ILE A 21 7.001 13.715 -13.994 1.00 0.00 H new ATOM 0 HB ILE A 21 5.338 11.352 -13.197 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.772 11.315 -15.594 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.086 11.626 -15.229 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.454 12.968 -13.192 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.694 13.360 -11.978 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.607 14.290 -13.493 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.843 12.997 -17.112 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.408 14.030 -15.730 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.119 13.714 -16.101 1.00 0.00 H new ATOM 347 N VAL A 22 7.417 13.876 -11.437 1.00 0.00 N ATOM 348 CA VAL A 22 7.559 13.989 -10.005 1.00 0.00 C ATOM 349 C VAL A 22 6.564 15.048 -9.545 1.00 0.00 C ATOM 350 O VAL A 22 6.644 16.199 -9.962 1.00 0.00 O ATOM 351 CB VAL A 22 9.020 14.298 -9.616 1.00 0.00 C ATOM 352 CG1 VAL A 22 9.181 14.269 -8.089 1.00 0.00 C ATOM 353 CG2 VAL A 22 10.018 13.306 -10.227 1.00 0.00 C ATOM 0 H VAL A 22 7.409 14.776 -11.917 1.00 0.00 H new ATOM 0 HA VAL A 22 7.334 13.049 -9.501 1.00 0.00 H new ATOM 0 HB VAL A 22 9.239 15.290 -10.010 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.216 14.489 -7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.527 15.017 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.914 13.281 -7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.030 13.572 -9.920 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.787 12.298 -9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.948 13.342 -11.314 1.00 0.00 H new ATOM 363 N LEU A 23 5.619 14.662 -8.700 1.00 0.00 N ATOM 364 CA LEU A 23 4.738 15.591 -8.000 1.00 0.00 C ATOM 365 C LEU A 23 5.469 15.997 -6.722 1.00 0.00 C ATOM 366 O LEU A 23 5.853 15.126 -5.938 1.00 0.00 O ATOM 367 CB LEU A 23 3.413 14.880 -7.666 1.00 0.00 C ATOM 368 CG LEU A 23 2.601 15.490 -6.495 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.013 16.867 -6.811 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.474 14.544 -6.081 1.00 0.00 C ATOM 0 H LEU A 23 5.439 13.683 -8.477 1.00 0.00 H new ATOM 0 HA LEU A 23 4.504 16.467 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.786 14.881 -8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.630 13.838 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 23 3.309 15.623 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.458 17.233 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.819 17.562 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.342 16.789 -7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.912 14.985 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.808 14.379 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.897 13.592 -5.762 1.00 0.00 H new ATOM 382 N GLU A 24 5.631 17.295 -6.499 1.00 0.00 N ATOM 383 CA GLU A 24 6.095 17.869 -5.251 1.00 0.00 C ATOM 384 C GLU A 24 4.858 18.081 -4.383 1.00 0.00 C ATOM 385 O GLU A 24 4.001 18.895 -4.738 1.00 0.00 O ATOM 386 CB GLU A 24 6.845 19.185 -5.557 1.00 0.00 C ATOM 387 CG GLU A 24 8.309 19.081 -5.133 1.00 0.00 C ATOM 388 CD GLU A 24 8.537 19.008 -3.607 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.557 18.934 -2.826 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.722 19.025 -3.195 1.00 0.00 O ATOM 0 H GLU A 24 5.435 17.999 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 24 6.795 17.224 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.784 19.405 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.367 20.013 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.744 18.194 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.849 19.942 -5.526 1.00 0.00 H new ATOM 397 N LYS A 25 4.716 17.347 -3.273 1.00 0.00 N ATOM 398 CA LYS A 25 3.468 17.409 -2.493 1.00 0.00 C ATOM 399 C LYS A 25 3.309 18.753 -1.783 1.00 0.00 C ATOM 400 O LYS A 25 2.177 19.182 -1.562 1.00 0.00 O ATOM 401 CB LYS A 25 3.370 16.275 -1.470 1.00 0.00 C ATOM 402 CG LYS A 25 3.039 14.938 -2.154 1.00 0.00 C ATOM 403 CD LYS A 25 3.364 13.742 -1.263 1.00 0.00 C ATOM 404 CE LYS A 25 2.754 13.805 0.152 1.00 0.00 C ATOM 405 NZ LYS A 25 3.150 12.632 0.984 1.00 0.00 N ATOM 0 H LYS A 25 5.427 16.718 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 25 2.658 17.294 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.312 16.187 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.601 16.511 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.981 14.917 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.600 14.859 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.013 12.835 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.447 13.657 -1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.074 14.723 0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.667 13.846 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.972 12.842 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.593 11.801 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.162 12.434 0.846 1.00 0.00 H new ATOM 419 N ASP A 26 4.414 19.414 -1.423 1.00 0.00 N ATOM 420 CA ASP A 26 4.372 20.632 -0.611 1.00 0.00 C ATOM 421 C ASP A 26 3.664 21.765 -1.358 1.00 0.00 C ATOM 422 O ASP A 26 2.826 22.459 -0.777 1.00 0.00 O ATOM 423 CB ASP A 26 5.786 21.072 -0.223 1.00 0.00 C ATOM 424 CG ASP A 26 5.741 22.371 0.600 1.00 0.00 C ATOM 425 OD1 ASP A 26 5.364 22.316 1.795 1.00 0.00 O ATOM 426 OD2 ASP A 26 6.108 23.446 0.065 1.00 0.00 O ATOM 0 H ASP A 26 5.356 19.122 -1.684 1.00 0.00 H new ATOM 0 HA ASP A 26 3.810 20.407 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.272 20.286 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.385 21.224 -1.121 1.00 0.00 H new ATOM 431 N ALA A 27 3.976 21.923 -2.651 1.00 0.00 N ATOM 432 CA ALA A 27 3.418 22.951 -3.517 1.00 0.00 C ATOM 433 C ALA A 27 2.318 22.419 -4.449 1.00 0.00 C ATOM 434 O ALA A 27 1.623 23.220 -5.081 1.00 0.00 O ATOM 435 CB ALA A 27 4.558 23.586 -4.325 1.00 0.00 C ATOM 0 H ALA A 27 4.643 21.318 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 27 2.937 23.699 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.154 24.359 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.283 24.030 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.047 22.821 -4.927 1.00 0.00 H new ATOM 441 N MET A 28 2.161 21.090 -4.548 1.00 0.00 N ATOM 442 CA MET A 28 1.331 20.415 -5.544 1.00 0.00 C ATOM 443 C MET A 28 1.730 20.852 -6.964 1.00 0.00 C ATOM 444 O MET A 28 0.888 20.969 -7.858 1.00 0.00 O ATOM 445 CB MET A 28 -0.173 20.479 -5.223 1.00 0.00 C ATOM 446 CG MET A 28 -0.484 19.866 -3.851 1.00 0.00 C ATOM 447 SD MET A 28 -2.231 19.469 -3.563 1.00 0.00 S ATOM 448 CE MET A 28 -2.372 17.925 -4.512 1.00 0.00 C ATOM 0 H MET A 28 2.625 20.439 -3.914 1.00 0.00 H new ATOM 0 HA MET A 28 1.535 19.345 -5.499 1.00 0.00 H new ATOM 0 HB2 MET A 28 -0.506 21.517 -5.243 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.733 19.950 -5.994 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.103 18.955 -3.736 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.153 20.559 -3.077 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.391 17.545 -4.439 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.130 18.117 -5.557 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.680 17.186 -4.109 1.00 0.00 H new ATOM 458 N ASP A 29 3.032 21.107 -7.159 1.00 0.00 N ATOM 459 CA ASP A 29 3.631 21.398 -8.455 1.00 0.00 C ATOM 460 C ASP A 29 4.139 20.082 -9.036 1.00 0.00 C ATOM 461 O ASP A 29 4.482 19.171 -8.279 1.00 0.00 O ATOM 462 CB ASP A 29 4.763 22.429 -8.329 1.00 0.00 C ATOM 463 CG ASP A 29 5.192 23.027 -9.683 1.00 0.00 C ATOM 464 OD1 ASP A 29 4.523 22.784 -10.715 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.183 23.797 -9.689 1.00 0.00 O ATOM 0 H ASP A 29 3.709 21.115 -6.396 1.00 0.00 H new ATOM 0 HA ASP A 29 2.889 21.839 -9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.441 23.234 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.625 21.957 -7.858 1.00 0.00 H new ATOM 470 N VAL A 30 4.179 19.947 -10.359 1.00 0.00 N ATOM 471 CA VAL A 30 4.484 18.684 -11.008 1.00 0.00 C ATOM 472 C VAL A 30 5.565 18.941 -12.049 1.00 0.00 C ATOM 473 O VAL A 30 5.376 19.684 -13.017 1.00 0.00 O ATOM 474 CB VAL A 30 3.209 18.023 -11.564 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.519 16.649 -12.174 1.00 0.00 C ATOM 476 CG2 VAL A 30 2.114 17.851 -10.502 1.00 0.00 C ATOM 0 H VAL A 30 4.000 20.713 -11.008 1.00 0.00 H new ATOM 0 HA VAL A 30 4.875 17.958 -10.295 1.00 0.00 H new ATOM 0 HB VAL A 30 2.838 18.701 -12.333 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.600 16.206 -12.558 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.234 16.765 -12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.943 15.999 -11.409 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.240 17.380 -10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.487 17.223 -9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.836 18.827 -10.105 1.00 0.00 H new ATOM 486 N TRP A 31 6.710 18.303 -11.825 1.00 0.00 N ATOM 487 CA TRP A 31 7.855 18.293 -12.703 1.00 0.00 C ATOM 488 C TRP A 31 7.665 17.145 -13.699 1.00 0.00 C ATOM 489 O TRP A 31 7.535 15.999 -13.276 1.00 0.00 O ATOM 490 CB TRP A 31 9.130 18.103 -11.850 1.00 0.00 C ATOM 491 CG TRP A 31 9.179 18.801 -10.513 1.00 0.00 C ATOM 492 CD1 TRP A 31 8.993 18.220 -9.304 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.438 20.206 -10.215 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.139 19.151 -8.301 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.428 20.397 -8.800 1.00 0.00 C ATOM 496 CE3 TRP A 31 9.694 21.341 -11.002 1.00 0.00 C ATOM 497 CZ2 TRP A 31 9.678 21.639 -8.198 1.00 0.00 C ATOM 498 CZ3 TRP A 31 9.956 22.595 -10.413 1.00 0.00 C ATOM 499 CH2 TRP A 31 9.949 22.746 -9.015 1.00 0.00 C ATOM 0 H TRP A 31 6.863 17.753 -10.980 1.00 0.00 H new ATOM 0 HA TRP A 31 7.955 19.228 -13.254 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.265 17.035 -11.678 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.983 18.441 -12.438 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.763 17.176 -9.149 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.044 18.941 -7.307 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.690 21.251 -12.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 9.662 21.741 -7.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.164 23.448 -11.042 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.151 23.710 -8.573 1.00 0.00 H new ATOM 510 N CYS A 32 7.651 17.411 -15.003 1.00 0.00 N ATOM 511 CA CYS A 32 7.711 16.393 -16.044 1.00 0.00 C ATOM 512 C CYS A 32 9.045 16.599 -16.751 1.00 0.00 C ATOM 513 O CYS A 32 9.378 17.726 -17.109 1.00 0.00 O ATOM 514 CB CYS A 32 6.515 16.534 -16.990 1.00 0.00 C ATOM 515 SG CYS A 32 6.655 15.386 -18.396 1.00 0.00 S ATOM 0 H CYS A 32 7.596 18.361 -15.371 1.00 0.00 H new ATOM 0 HA CYS A 32 7.653 15.381 -15.643 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.591 16.337 -16.446 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.456 17.559 -17.357 1.00 0.00 H new ATOM 0 HG CYS A 32 5.896 15.796 -19.368 1.00 0.00 H new ATOM 521 N ASN A 33 9.827 15.531 -16.935 1.00 0.00 N ATOM 522 CA ASN A 33 11.153 15.587 -17.567 1.00 0.00 C ATOM 523 C ASN A 33 12.055 16.651 -16.903 1.00 0.00 C ATOM 524 O ASN A 33 12.823 17.348 -17.566 1.00 0.00 O ATOM 525 CB ASN A 33 10.979 15.744 -19.095 1.00 0.00 C ATOM 526 CG ASN A 33 12.265 15.495 -19.881 1.00 0.00 C ATOM 527 OD1 ASN A 33 12.903 16.428 -20.367 1.00 0.00 O ATOM 528 ND2 ASN A 33 12.659 14.239 -20.045 1.00 0.00 N ATOM 0 H ASN A 33 9.556 14.591 -16.647 1.00 0.00 H new ATOM 0 HA ASN A 33 11.689 14.651 -17.407 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.212 15.050 -19.439 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.619 16.750 -19.311 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.503 14.035 -20.581 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.118 13.477 -19.635 1.00 0.00 H new ATOM 535 N GLY A 34 11.921 16.815 -15.578 1.00 0.00 N ATOM 536 CA GLY A 34 12.695 17.773 -14.784 1.00 0.00 C ATOM 537 C GLY A 34 12.275 19.239 -14.954 1.00 0.00 C ATOM 538 O GLY A 34 12.990 20.124 -14.483 1.00 0.00 O ATOM 0 H GLY A 34 11.259 16.274 -15.021 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.608 17.505 -13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.747 17.678 -15.051 1.00 0.00 H new ATOM 542 N LYS A 35 11.145 19.520 -15.618 1.00 0.00 N ATOM 543 CA LYS A 35 10.658 20.870 -15.936 1.00 0.00 C ATOM 544 C LYS A 35 9.248 20.987 -15.367 1.00 0.00 C ATOM 545 O LYS A 35 8.480 20.034 -15.497 1.00 0.00 O ATOM 546 CB LYS A 35 10.662 21.053 -17.469 1.00 0.00 C ATOM 547 CG LYS A 35 12.060 20.901 -18.102 1.00 0.00 C ATOM 548 CD LYS A 35 11.972 20.679 -19.618 1.00 0.00 C ATOM 549 CE LYS A 35 13.348 20.414 -20.255 1.00 0.00 C ATOM 550 NZ LYS A 35 13.930 19.093 -19.885 1.00 0.00 N ATOM 0 H LYS A 35 10.523 18.788 -15.961 1.00 0.00 H new ATOM 0 HA LYS A 35 11.291 21.645 -15.504 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.988 20.322 -17.916 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.268 22.040 -17.710 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.651 21.794 -17.898 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.580 20.062 -17.640 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.313 19.835 -19.821 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.522 21.555 -20.085 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.254 20.470 -21.340 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.037 21.203 -19.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.855 18.979 -20.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.050 19.043 -18.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.292 18.333 -20.196 1.00 0.00 H new ATOM 564 N LYS A 36 8.866 22.091 -14.717 1.00 0.00 N ATOM 565 CA LYS A 36 7.497 22.188 -14.202 1.00 0.00 C ATOM 566 C LYS A 36 6.528 22.377 -15.367 1.00 0.00 C ATOM 567 O LYS A 36 6.863 23.075 -16.330 1.00 0.00 O ATOM 568 CB LYS A 36 7.332 23.167 -13.021 1.00 0.00 C ATOM 569 CG LYS A 36 6.710 24.548 -13.287 1.00 0.00 C ATOM 570 CD LYS A 36 7.628 25.547 -14.014 1.00 0.00 C ATOM 571 CE LYS A 36 8.851 26.011 -13.196 1.00 0.00 C ATOM 572 NZ LYS A 36 8.487 26.808 -11.990 1.00 0.00 N ATOM 0 H LYS A 36 9.459 22.901 -14.539 1.00 0.00 H new ATOM 0 HA LYS A 36 7.234 21.243 -13.726 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.725 22.672 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.318 23.327 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.804 24.414 -13.878 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.407 24.983 -12.334 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.979 25.090 -14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.041 26.422 -14.293 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.424 25.137 -12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.501 26.609 -13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.352 27.089 -11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.964 27.659 -12.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.890 26.233 -11.361 1.00 0.00 H new ATOM 586 N LEU A 37 5.348 21.764 -15.286 1.00 0.00 N ATOM 587 CA LEU A 37 4.272 21.926 -16.262 1.00 0.00 C ATOM 588 C LEU A 37 3.046 22.572 -15.622 1.00 0.00 C ATOM 589 O LEU A 37 2.965 22.727 -14.402 1.00 0.00 O ATOM 590 CB LEU A 37 3.972 20.635 -17.048 1.00 0.00 C ATOM 591 CG LEU A 37 3.726 19.370 -16.222 1.00 0.00 C ATOM 592 CD1 LEU A 37 2.531 19.434 -15.275 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.526 18.193 -17.182 1.00 0.00 C ATOM 0 H LEU A 37 5.109 21.128 -14.525 1.00 0.00 H new ATOM 0 HA LEU A 37 4.619 22.622 -17.026 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.095 20.811 -17.670 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.807 20.445 -17.722 1.00 0.00 H new ATOM 0 HG LEU A 37 4.603 19.253 -15.586 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.442 18.490 -14.737 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.675 20.246 -14.562 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.621 19.611 -15.849 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.349 17.282 -16.609 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.668 18.390 -17.825 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.418 18.068 -17.796 1.00 0.00 H new ATOM 605 N GLU A 38 2.113 22.992 -16.472 1.00 0.00 N ATOM 606 CA GLU A 38 0.875 23.645 -16.082 1.00 0.00 C ATOM 607 C GLU A 38 -0.100 22.626 -15.488 1.00 0.00 C ATOM 608 O GLU A 38 -0.157 21.480 -15.933 1.00 0.00 O ATOM 609 CB GLU A 38 0.261 24.397 -17.276 1.00 0.00 C ATOM 610 CG GLU A 38 -0.149 23.478 -18.441 1.00 0.00 C ATOM 611 CD GLU A 38 -0.610 24.297 -19.661 1.00 0.00 C ATOM 612 OE1 GLU A 38 -1.806 24.673 -19.734 1.00 0.00 O ATOM 613 OE2 GLU A 38 0.219 24.552 -20.571 1.00 0.00 O ATOM 0 H GLU A 38 2.204 22.882 -17.482 1.00 0.00 H new ATOM 0 HA GLU A 38 1.092 24.383 -15.309 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.615 24.949 -16.935 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.979 25.132 -17.640 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.693 22.845 -18.722 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.953 22.816 -18.120 1.00 0.00 H new ATOM 620 N THR A 39 -0.898 23.060 -14.515 1.00 0.00 N ATOM 621 CA THR A 39 -1.850 22.223 -13.794 1.00 0.00 C ATOM 622 C THR A 39 -3.153 22.998 -13.570 1.00 0.00 C ATOM 623 O THR A 39 -3.149 24.227 -13.444 1.00 0.00 O ATOM 624 CB THR A 39 -1.238 21.725 -12.465 1.00 0.00 C ATOM 625 OG1 THR A 39 -0.428 22.718 -11.843 1.00 0.00 O ATOM 626 CG2 THR A 39 -0.399 20.458 -12.680 1.00 0.00 C ATOM 0 H THR A 39 -0.899 24.030 -14.199 1.00 0.00 H new ATOM 0 HA THR A 39 -2.081 21.340 -14.390 1.00 0.00 H new ATOM 0 HB THR A 39 -2.078 21.499 -11.808 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.062 22.364 -11.006 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.018 20.132 -11.727 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.030 19.669 -13.089 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.411 20.672 -13.377 1.00 0.00 H new ATOM 634 N ALA A 40 -4.266 22.269 -13.506 1.00 0.00 N ATOM 635 CA ALA A 40 -5.578 22.751 -13.089 1.00 0.00 C ATOM 636 C ALA A 40 -6.071 21.761 -12.038 1.00 0.00 C ATOM 637 O ALA A 40 -5.819 20.567 -12.191 1.00 0.00 O ATOM 638 CB ALA A 40 -6.528 22.825 -14.291 1.00 0.00 C ATOM 0 H ALA A 40 -4.276 21.280 -13.756 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.531 23.759 -12.677 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.503 23.186 -13.963 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.120 23.508 -15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.638 21.833 -14.730 1.00 0.00 H new ATOM 644 N GLY A 41 -6.733 22.219 -10.978 1.00 0.00 N ATOM 645 CA GLY A 41 -7.123 21.381 -9.854 1.00 0.00 C ATOM 646 C GLY A 41 -8.633 21.423 -9.754 1.00 0.00 C ATOM 647 O GLY A 41 -9.188 22.446 -9.345 1.00 0.00 O ATOM 0 H GLY A 41 -7.015 23.194 -10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.777 20.358 -10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.668 21.742 -8.931 1.00 0.00 H new ATOM 651 N GLU A 42 -9.291 20.335 -10.151 1.00 0.00 N ATOM 652 CA GLU A 42 -10.716 20.153 -9.952 1.00 0.00 C ATOM 653 C GLU A 42 -10.944 19.346 -8.678 1.00 0.00 C ATOM 654 O GLU A 42 -10.092 18.552 -8.278 1.00 0.00 O ATOM 655 CB GLU A 42 -11.364 19.488 -11.176 1.00 0.00 C ATOM 656 CG GLU A 42 -11.751 20.561 -12.198 1.00 0.00 C ATOM 657 CD GLU A 42 -12.483 19.978 -13.423 1.00 0.00 C ATOM 658 OE1 GLU A 42 -13.637 19.502 -13.282 1.00 0.00 O ATOM 659 OE2 GLU A 42 -11.932 20.042 -14.551 1.00 0.00 O ATOM 0 H GLU A 42 -8.840 19.552 -10.624 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.194 21.126 -9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.671 18.776 -11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.247 18.925 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.389 21.302 -11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.853 21.082 -12.530 1.00 0.00 H new ATOM 666 N PHE A 43 -12.102 19.533 -8.046 1.00 0.00 N ATOM 667 CA PHE A 43 -12.463 18.838 -6.814 1.00 0.00 C ATOM 668 C PHE A 43 -13.766 18.079 -7.027 1.00 0.00 C ATOM 669 O PHE A 43 -14.694 18.591 -7.667 1.00 0.00 O ATOM 670 CB PHE A 43 -12.565 19.828 -5.649 1.00 0.00 C ATOM 671 CG PHE A 43 -12.715 19.163 -4.291 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.588 18.621 -3.644 1.00 0.00 C ATOM 673 CD2 PHE A 43 -13.980 19.069 -3.677 1.00 0.00 C ATOM 674 CE1 PHE A 43 -11.724 17.982 -2.399 1.00 0.00 C ATOM 675 CE2 PHE A 43 -14.115 18.434 -2.428 1.00 0.00 C ATOM 676 CZ PHE A 43 -12.987 17.891 -1.789 1.00 0.00 C ATOM 0 H PHE A 43 -12.821 20.176 -8.378 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.685 18.119 -6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.674 20.456 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -13.417 20.486 -5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.615 18.696 -4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -14.848 19.485 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.857 17.561 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -15.086 18.364 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.091 17.404 -0.830 1.00 0.00 H new ATOM 686 N VAL A 44 -13.837 16.868 -6.484 1.00 0.00 N ATOM 687 CA VAL A 44 -14.983 15.982 -6.532 1.00 0.00 C ATOM 688 C VAL A 44 -15.287 15.440 -5.134 1.00 0.00 C ATOM 689 O VAL A 44 -14.461 15.519 -4.223 1.00 0.00 O ATOM 690 CB VAL A 44 -14.720 14.839 -7.538 1.00 0.00 C ATOM 691 CG1 VAL A 44 -15.147 15.269 -8.942 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.282 14.294 -7.534 1.00 0.00 C ATOM 0 H VAL A 44 -13.053 16.462 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.858 16.536 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.331 14.000 -7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.958 14.457 -9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.210 15.508 -8.942 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.577 16.149 -9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.193 13.496 -8.271 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.588 15.097 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.044 13.902 -6.545 1.00 0.00 H new ATOM 702 N ASP A 45 -16.462 14.822 -4.989 1.00 0.00 N ATOM 703 CA ASP A 45 -16.913 14.152 -3.764 1.00 0.00 C ATOM 704 C ASP A 45 -16.221 12.788 -3.597 1.00 0.00 C ATOM 705 O ASP A 45 -16.846 11.737 -3.436 1.00 0.00 O ATOM 706 CB ASP A 45 -18.446 14.078 -3.721 1.00 0.00 C ATOM 707 CG ASP A 45 -18.962 13.500 -2.387 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.430 13.869 -1.309 1.00 0.00 O ATOM 709 OD2 ASP A 45 -19.945 12.720 -2.405 1.00 0.00 O ATOM 0 H ASP A 45 -17.147 14.772 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.614 14.744 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.861 15.075 -3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.802 13.460 -4.545 1.00 0.00 H new ATOM 714 N ASP A 46 -14.899 12.808 -3.756 1.00 0.00 N ATOM 715 CA ASP A 46 -13.989 11.669 -3.837 1.00 0.00 C ATOM 716 C ASP A 46 -12.549 12.111 -3.523 1.00 0.00 C ATOM 717 O ASP A 46 -11.789 11.368 -2.901 1.00 0.00 O ATOM 718 CB ASP A 46 -14.051 11.096 -5.258 1.00 0.00 C ATOM 719 CG ASP A 46 -12.954 10.047 -5.505 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.096 8.900 -5.016 1.00 0.00 O ATOM 721 OD2 ASP A 46 -11.980 10.367 -6.227 1.00 0.00 O ATOM 0 H ASP A 46 -14.397 13.692 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.286 10.913 -3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.029 10.644 -5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.947 11.906 -5.980 1.00 0.00 H new ATOM 726 N GLY A 47 -12.174 13.339 -3.896 1.00 0.00 N ATOM 727 CA GLY A 47 -10.838 13.871 -3.714 1.00 0.00 C ATOM 728 C GLY A 47 -10.612 15.016 -4.692 1.00 0.00 C ATOM 729 O GLY A 47 -11.563 15.665 -5.136 1.00 0.00 O ATOM 0 H GLY A 47 -12.812 13.998 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.711 14.222 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.098 13.088 -3.876 1.00 0.00 H new ATOM 733 N THR A 48 -9.358 15.231 -5.069 1.00 0.00 N ATOM 734 CA THR A 48 -8.958 16.280 -5.991 1.00 0.00 C ATOM 735 C THR A 48 -8.376 15.590 -7.220 1.00 0.00 C ATOM 736 O THR A 48 -7.792 14.508 -7.118 1.00 0.00 O ATOM 737 CB THR A 48 -7.954 17.252 -5.335 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.215 17.421 -3.947 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.958 18.637 -5.992 1.00 0.00 C ATOM 0 H THR A 48 -8.576 14.668 -4.734 1.00 0.00 H new ATOM 0 HA THR A 48 -9.812 16.895 -6.277 1.00 0.00 H new ATOM 0 HB THR A 48 -6.976 16.793 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.560 18.041 -3.564 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.234 19.279 -5.491 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.691 18.541 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.952 19.077 -5.908 1.00 0.00 H new ATOM 747 N GLU A 49 -8.523 16.210 -8.379 1.00 0.00 N ATOM 748 CA GLU A 49 -7.981 15.747 -9.636 1.00 0.00 C ATOM 749 C GLU A 49 -7.175 16.901 -10.226 1.00 0.00 C ATOM 750 O GLU A 49 -7.736 17.909 -10.656 1.00 0.00 O ATOM 751 CB GLU A 49 -9.096 15.214 -10.553 1.00 0.00 C ATOM 752 CG GLU A 49 -9.749 13.965 -9.936 1.00 0.00 C ATOM 753 CD GLU A 49 -10.810 13.302 -10.832 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.641 14.001 -11.463 1.00 0.00 O ATOM 755 OE2 GLU A 49 -10.859 12.048 -10.844 1.00 0.00 O ATOM 0 H GLU A 49 -9.044 17.082 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.314 14.895 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.849 15.987 -10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.684 14.970 -11.532 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.971 13.235 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.211 14.241 -8.988 1.00 0.00 H new ATOM 762 N THR A 50 -5.846 16.784 -10.189 1.00 0.00 N ATOM 763 CA THR A 50 -4.945 17.781 -10.754 1.00 0.00 C ATOM 764 C THR A 50 -4.652 17.353 -12.189 1.00 0.00 C ATOM 765 O THR A 50 -3.883 16.414 -12.386 1.00 0.00 O ATOM 766 CB THR A 50 -3.689 17.914 -9.879 1.00 0.00 C ATOM 767 OG1 THR A 50 -4.035 18.466 -8.618 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.612 18.793 -10.526 1.00 0.00 C ATOM 0 H THR A 50 -5.366 15.991 -9.764 1.00 0.00 H new ATOM 0 HA THR A 50 -5.389 18.776 -10.773 1.00 0.00 H new ATOM 0 HB THR A 50 -3.278 16.911 -9.761 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.230 18.547 -8.064 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.747 18.853 -9.866 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.312 18.358 -11.479 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.011 19.793 -10.693 1.00 0.00 H new ATOM 776 N HIS A 51 -5.268 18.005 -13.170 1.00 0.00 N ATOM 777 CA HIS A 51 -5.177 17.664 -14.584 1.00 0.00 C ATOM 778 C HIS A 51 -3.991 18.377 -15.226 1.00 0.00 C ATOM 779 O HIS A 51 -3.680 19.514 -14.853 1.00 0.00 O ATOM 780 CB HIS A 51 -6.477 18.048 -15.306 1.00 0.00 C ATOM 781 CG HIS A 51 -7.691 17.274 -14.850 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.175 16.114 -15.418 1.00 0.00 N ATOM 783 CD2 HIS A 51 -8.547 17.614 -13.835 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.286 15.758 -14.749 1.00 0.00 C ATOM 785 NE2 HIS A 51 -9.559 16.646 -13.777 1.00 0.00 N ATOM 0 H HIS A 51 -5.865 18.813 -12.995 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.028 16.588 -14.674 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.661 19.112 -15.157 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.343 17.895 -16.377 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.457 18.477 -13.192 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.877 14.880 -14.963 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.345 16.620 -13.128 1.00 0.00 H new ATOM 793 N PHE A 52 -3.363 17.724 -16.206 1.00 0.00 N ATOM 794 CA PHE A 52 -2.354 18.286 -17.100 1.00 0.00 C ATOM 795 C PHE A 52 -2.324 17.443 -18.387 1.00 0.00 C ATOM 796 O PHE A 52 -3.064 16.466 -18.508 1.00 0.00 O ATOM 797 CB PHE A 52 -0.982 18.356 -16.404 1.00 0.00 C ATOM 798 CG PHE A 52 -0.433 17.073 -15.810 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.787 16.716 -14.495 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.491 16.287 -16.526 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.213 15.590 -13.888 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.073 15.164 -15.907 1.00 0.00 C ATOM 803 CZ PHE A 52 0.728 14.819 -14.590 1.00 0.00 C ATOM 0 H PHE A 52 -3.555 16.742 -16.406 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.608 19.313 -17.363 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.257 18.730 -17.127 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.047 19.096 -15.606 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.504 17.313 -13.951 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.751 16.544 -17.542 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.494 15.316 -12.882 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.789 14.564 -16.449 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.186 13.962 -14.118 1.00 0.00 H new ATOM 813 N SER A 53 -1.467 17.793 -19.346 1.00 0.00 N ATOM 814 CA SER A 53 -1.300 17.059 -20.596 1.00 0.00 C ATOM 815 C SER A 53 0.165 17.134 -21.022 1.00 0.00 C ATOM 816 O SER A 53 0.853 18.113 -20.721 1.00 0.00 O ATOM 817 CB SER A 53 -2.200 17.616 -21.713 1.00 0.00 C ATOM 818 OG SER A 53 -3.571 17.651 -21.332 1.00 0.00 O ATOM 0 H SER A 53 -0.860 18.609 -19.273 1.00 0.00 H new ATOM 0 HA SER A 53 -1.594 16.023 -20.428 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.872 18.622 -21.974 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.089 17.002 -22.607 1.00 0.00 H new ATOM 0 HG SER A 53 -4.106 18.012 -22.069 1.00 0.00 H new ATOM 824 N ILE A 54 0.633 16.097 -21.714 1.00 0.00 N ATOM 825 CA ILE A 54 1.989 15.952 -22.225 1.00 0.00 C ATOM 826 C ILE A 54 1.790 15.494 -23.669 1.00 0.00 C ATOM 827 O ILE A 54 1.309 14.384 -23.908 1.00 0.00 O ATOM 828 CB ILE A 54 2.768 14.946 -21.343 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.958 15.492 -19.908 1.00 0.00 C ATOM 830 CG2 ILE A 54 4.147 14.624 -21.949 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.196 14.399 -18.869 1.00 0.00 C ATOM 0 H ILE A 54 0.044 15.296 -21.944 1.00 0.00 H new ATOM 0 HA ILE A 54 2.587 16.863 -22.199 1.00 0.00 H new ATOM 0 HB ILE A 54 2.175 14.032 -21.302 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.802 16.182 -19.899 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.075 16.065 -19.626 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.670 13.915 -21.307 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.016 14.189 -22.940 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.732 15.540 -22.030 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.321 14.853 -17.886 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.342 13.722 -18.851 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.096 13.841 -19.128 1.00 0.00 H new ATOM 843 N GLY A 55 2.101 16.365 -24.634 1.00 0.00 N ATOM 844 CA GLY A 55 1.751 16.123 -26.028 1.00 0.00 C ATOM 845 C GLY A 55 0.232 15.957 -26.139 1.00 0.00 C ATOM 846 O GLY A 55 -0.527 16.748 -25.573 1.00 0.00 O ATOM 0 H GLY A 55 2.594 17.243 -24.471 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.085 16.953 -26.650 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.255 15.228 -26.393 1.00 0.00 H new ATOM 850 N ASN A 56 -0.208 14.904 -26.835 1.00 0.00 N ATOM 851 CA ASN A 56 -1.626 14.582 -26.999 1.00 0.00 C ATOM 852 C ASN A 56 -2.213 13.838 -25.786 1.00 0.00 C ATOM 853 O ASN A 56 -3.428 13.637 -25.719 1.00 0.00 O ATOM 854 CB ASN A 56 -1.804 13.757 -28.285 1.00 0.00 C ATOM 855 CG ASN A 56 -3.278 13.563 -28.652 1.00 0.00 C ATOM 856 OD1 ASN A 56 -4.039 14.525 -28.743 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.713 12.334 -28.898 1.00 0.00 N ATOM 0 H ASN A 56 0.416 14.247 -27.303 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.179 15.518 -27.074 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.290 14.255 -29.107 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.332 12.783 -28.157 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.685 12.181 -29.165 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.075 11.542 -28.820 1.00 0.00 H new ATOM 864 N HIS A 57 -1.377 13.389 -24.844 1.00 0.00 N ATOM 865 CA HIS A 57 -1.795 12.527 -23.746 1.00 0.00 C ATOM 866 C HIS A 57 -2.246 13.409 -22.584 1.00 0.00 C ATOM 867 O HIS A 57 -1.452 14.208 -22.087 1.00 0.00 O ATOM 868 CB HIS A 57 -0.646 11.594 -23.327 1.00 0.00 C ATOM 869 CG HIS A 57 0.007 10.869 -24.479 1.00 0.00 C ATOM 870 ND1 HIS A 57 -0.498 9.789 -25.171 1.00 0.00 N ATOM 871 CD2 HIS A 57 1.215 11.181 -25.044 1.00 0.00 C ATOM 872 CE1 HIS A 57 0.392 9.465 -26.127 1.00 0.00 C ATOM 873 NE2 HIS A 57 1.455 10.291 -26.096 1.00 0.00 N ATOM 0 H HIS A 57 -0.383 13.619 -24.827 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.625 11.895 -24.061 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.110 12.178 -22.803 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.028 10.859 -22.618 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.871 11.979 -24.730 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.270 8.651 -26.826 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.267 10.272 -26.712 1.00 0.00 H new ATOM 881 N ASP A 58 -3.495 13.270 -22.133 1.00 0.00 N ATOM 882 CA ASP A 58 -3.950 13.918 -20.904 1.00 0.00 C ATOM 883 C ASP A 58 -3.655 13.021 -19.705 1.00 0.00 C ATOM 884 O ASP A 58 -3.673 11.786 -19.801 1.00 0.00 O ATOM 885 CB ASP A 58 -5.416 14.355 -20.943 1.00 0.00 C ATOM 886 CG ASP A 58 -6.371 13.266 -20.421 1.00 0.00 C ATOM 887 OD1 ASP A 58 -6.789 12.396 -21.222 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.732 13.302 -19.219 1.00 0.00 O ATOM 0 H ASP A 58 -4.209 12.713 -22.603 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.386 14.845 -20.804 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.538 15.258 -20.345 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.688 14.612 -21.967 1.00 0.00 H new ATOM 893 N CYS A 59 -3.364 13.661 -18.577 1.00 0.00 N ATOM 894 CA CYS A 59 -2.966 13.036 -17.332 1.00 0.00 C ATOM 895 C CYS A 59 -3.685 13.738 -16.187 1.00 0.00 C ATOM 896 O CYS A 59 -3.992 14.928 -16.287 1.00 0.00 O ATOM 897 CB CYS A 59 -1.458 13.198 -17.098 1.00 0.00 C ATOM 898 SG CYS A 59 -0.484 12.985 -18.616 1.00 0.00 S ATOM 0 H CYS A 59 -3.403 14.678 -18.509 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.217 11.976 -17.380 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.263 14.187 -16.683 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.130 12.470 -16.356 1.00 0.00 H new ATOM 0 HG CYS A 59 0.599 12.318 -18.347 1.00 0.00 H new ATOM 904 N TYR A 60 -3.908 13.051 -15.072 1.00 0.00 N ATOM 905 CA TYR A 60 -4.361 13.714 -13.869 1.00 0.00 C ATOM 906 C TYR A 60 -3.816 12.996 -12.651 1.00 0.00 C ATOM 907 O TYR A 60 -3.725 11.773 -12.639 1.00 0.00 O ATOM 908 CB TYR A 60 -5.882 13.903 -13.847 1.00 0.00 C ATOM 909 CG TYR A 60 -6.750 12.665 -13.714 1.00 0.00 C ATOM 910 CD1 TYR A 60 -6.842 11.997 -12.479 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.523 12.219 -14.802 1.00 0.00 C ATOM 912 CE1 TYR A 60 -7.683 10.882 -12.335 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.424 11.149 -14.645 1.00 0.00 C ATOM 914 CZ TYR A 60 -8.515 10.478 -13.401 1.00 0.00 C ATOM 915 OH TYR A 60 -9.357 9.417 -13.222 1.00 0.00 O ATOM 0 H TYR A 60 -3.782 12.043 -14.983 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.961 14.728 -13.852 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.124 14.571 -13.021 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.169 14.415 -14.766 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.262 12.344 -11.637 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.424 12.701 -15.764 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.693 10.332 -11.406 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.045 10.840 -15.472 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.866 9.261 -14.045 1.00 0.00 H new ATOM 925 N ILE A 61 -3.456 13.735 -11.608 1.00 0.00 N ATOM 926 CA ILE A 61 -3.136 13.141 -10.321 1.00 0.00 C ATOM 927 C ILE A 61 -4.463 13.057 -9.586 1.00 0.00 C ATOM 928 O ILE A 61 -5.097 14.087 -9.356 1.00 0.00 O ATOM 929 CB ILE A 61 -2.054 13.960 -9.595 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.698 13.776 -10.313 1.00 0.00 C ATOM 931 CG2 ILE A 61 -1.921 13.577 -8.109 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.229 14.975 -10.096 1.00 0.00 C ATOM 0 H ILE A 61 -3.379 14.752 -11.632 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.697 12.146 -10.399 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.357 15.006 -9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.213 12.871 -9.947 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.868 13.637 -11.381 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.144 14.185 -7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.870 13.752 -7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.655 12.523 -8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.171 14.805 -10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.244 15.876 -10.486 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.421 15.098 -9.030 1.00 0.00 H new ATOM 944 N LYS A 62 -4.886 11.848 -9.224 1.00 0.00 N ATOM 945 CA LYS A 62 -6.020 11.623 -8.344 1.00 0.00 C ATOM 946 C LYS A 62 -5.435 11.718 -6.945 1.00 0.00 C ATOM 947 O LYS A 62 -4.635 10.866 -6.559 1.00 0.00 O ATOM 948 CB LYS A 62 -6.651 10.249 -8.659 1.00 0.00 C ATOM 949 CG LYS A 62 -8.187 10.259 -8.615 1.00 0.00 C ATOM 950 CD LYS A 62 -8.731 8.861 -8.976 1.00 0.00 C ATOM 951 CE LYS A 62 -10.266 8.806 -8.995 1.00 0.00 C ATOM 952 NZ LYS A 62 -10.864 9.374 -10.234 1.00 0.00 N ATOM 0 H LYS A 62 -4.441 10.987 -9.541 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.830 12.342 -8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.325 9.926 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.279 9.514 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.529 10.547 -7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.575 11.001 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.349 8.569 -9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.355 8.133 -8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.586 7.770 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.652 9.349 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.840 9.029 -10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.868 10.412 -10.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.302 9.078 -11.058 1.00 0.00 H new ATOM 966 N ALA A 63 -5.775 12.772 -6.222 1.00 0.00 N ATOM 967 CA ALA A 63 -5.466 12.933 -4.820 1.00 0.00 C ATOM 968 C ALA A 63 -6.746 12.546 -4.086 1.00 0.00 C ATOM 969 O ALA A 63 -7.611 13.379 -3.825 1.00 0.00 O ATOM 970 CB ALA A 63 -5.004 14.363 -4.565 1.00 0.00 C ATOM 0 H ALA A 63 -6.290 13.562 -6.612 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.646 12.307 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.770 14.487 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.114 14.569 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.797 15.057 -4.845 1.00 0.00 H new ATOM 976 N VAL A 64 -6.904 11.251 -3.857 1.00 0.00 N ATOM 977 CA VAL A 64 -8.114 10.616 -3.378 1.00 0.00 C ATOM 978 C VAL A 64 -8.174 10.750 -1.860 1.00 0.00 C ATOM 979 O VAL A 64 -7.228 10.339 -1.193 1.00 0.00 O ATOM 980 CB VAL A 64 -8.135 9.121 -3.791 1.00 0.00 C ATOM 981 CG1 VAL A 64 -9.577 8.678 -4.052 1.00 0.00 C ATOM 982 CG2 VAL A 64 -7.288 8.771 -5.028 1.00 0.00 C ATOM 0 H VAL A 64 -6.149 10.583 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.984 11.102 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.686 8.590 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.588 7.627 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.168 8.811 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.003 9.280 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.369 7.704 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.649 9.335 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.245 9.026 -4.839 1.00 0.00 H new ATOM 992 N SER A 65 -9.262 11.258 -1.287 1.00 0.00 N ATOM 993 CA SER A 65 -9.424 11.400 0.156 1.00 0.00 C ATOM 994 C SER A 65 -9.939 10.082 0.768 1.00 0.00 C ATOM 995 O SER A 65 -10.975 10.051 1.438 1.00 0.00 O ATOM 996 CB SER A 65 -10.312 12.616 0.458 1.00 0.00 C ATOM 997 OG SER A 65 -9.829 13.773 -0.214 1.00 0.00 O ATOM 0 H SER A 65 -10.067 11.587 -1.820 1.00 0.00 H new ATOM 0 HA SER A 65 -8.462 11.593 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.336 12.410 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.335 12.797 1.533 1.00 0.00 H new ATOM 0 HG SER A 65 -10.409 14.536 -0.010 1.00 0.00 H new ATOM 1003 N SER A 66 -9.242 8.973 0.491 1.00 0.00 N ATOM 1004 CA SER A 66 -9.708 7.625 0.810 1.00 0.00 C ATOM 1005 C SER A 66 -9.609 7.286 2.306 1.00 0.00 C ATOM 1006 O SER A 66 -10.360 6.429 2.783 1.00 0.00 O ATOM 1007 CB SER A 66 -8.903 6.617 -0.019 1.00 0.00 C ATOM 1008 OG SER A 66 -9.029 6.900 -1.403 1.00 0.00 O ATOM 0 H SER A 66 -8.330 8.990 0.035 1.00 0.00 H new ATOM 0 HA SER A 66 -10.768 7.573 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.853 6.654 0.272 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.255 5.606 0.185 1.00 0.00 H new ATOM 0 HG SER A 66 -8.508 6.249 -1.919 1.00 0.00 H new ATOM 1014 N GLY A 67 -8.694 7.919 3.049 1.00 0.00 N ATOM 1015 CA GLY A 67 -8.481 7.631 4.462 1.00 0.00 C ATOM 1016 C GLY A 67 -9.691 8.026 5.310 1.00 0.00 C ATOM 1017 O GLY A 67 -10.313 9.065 5.072 1.00 0.00 O ATOM 0 H GLY A 67 -8.081 8.647 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.279 6.568 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.600 8.168 4.814 1.00 0.00 H new ATOM 1021 N LYS A 68 -10.021 7.198 6.312 1.00 0.00 N ATOM 1022 CA LYS A 68 -11.103 7.491 7.260 1.00 0.00 C ATOM 1023 C LYS A 68 -10.631 8.435 8.369 1.00 0.00 C ATOM 1024 O LYS A 68 -11.438 9.188 8.919 1.00 0.00 O ATOM 1025 CB LYS A 68 -11.674 6.186 7.840 1.00 0.00 C ATOM 1026 CG LYS A 68 -12.353 5.323 6.762 1.00 0.00 C ATOM 1027 CD LYS A 68 -12.982 4.065 7.383 1.00 0.00 C ATOM 1028 CE LYS A 68 -13.594 3.123 6.331 1.00 0.00 C ATOM 1029 NZ LYS A 68 -14.811 3.675 5.677 1.00 0.00 N ATOM 0 H LYS A 68 -9.548 6.312 6.487 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.901 8.002 6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.871 5.616 8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.395 6.422 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.121 5.906 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.621 5.034 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.222 3.526 7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.755 4.363 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.846 2.909 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.845 2.175 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.171 2.991 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.541 3.854 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.573 4.566 5.196 1.00 0.00 H new ATOM 1043 N ARG A 69 -9.334 8.404 8.707 1.00 0.00 N ATOM 1044 CA ARG A 69 -8.722 9.367 9.625 1.00 0.00 C ATOM 1045 C ARG A 69 -8.618 10.729 8.928 1.00 0.00 C ATOM 1046 O ARG A 69 -8.800 10.826 7.710 1.00 0.00 O ATOM 1047 CB ARG A 69 -7.338 8.866 10.096 1.00 0.00 C ATOM 1048 CG ARG A 69 -7.344 7.497 10.807 1.00 0.00 C ATOM 1049 CD ARG A 69 -8.284 7.409 12.019 1.00 0.00 C ATOM 1050 NE ARG A 69 -7.919 8.365 13.084 1.00 0.00 N ATOM 1051 CZ ARG A 69 -8.648 8.643 14.175 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -9.821 8.046 14.382 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -8.200 9.527 15.063 1.00 0.00 N ATOM 0 H ARG A 69 -8.681 7.707 8.349 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.345 9.474 10.513 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.677 8.806 9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.912 9.607 10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.628 6.730 10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.330 7.268 11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.307 7.601 11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.261 6.396 12.420 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.032 8.858 12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.175 7.368 13.707 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.365 8.267 15.216 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.304 9.991 14.913 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.752 9.740 15.894 1.00 0.00 H new ATOM 1067 N LYS A 70 -8.301 11.780 9.692 1.00 0.00 N ATOM 1068 CA LYS A 70 -8.048 13.113 9.143 1.00 0.00 C ATOM 1069 C LYS A 70 -6.863 13.045 8.170 1.00 0.00 C ATOM 1070 O LYS A 70 -5.996 12.177 8.310 1.00 0.00 O ATOM 1071 CB LYS A 70 -7.833 14.110 10.299 1.00 0.00 C ATOM 1072 CG LYS A 70 -7.746 15.591 9.887 1.00 0.00 C ATOM 1073 CD LYS A 70 -8.979 16.092 9.117 1.00 0.00 C ATOM 1074 CE LYS A 70 -8.897 17.616 8.932 1.00 0.00 C ATOM 1075 NZ LYS A 70 -10.089 18.171 8.234 1.00 0.00 N ATOM 0 H LYS A 70 -8.213 11.729 10.707 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.905 13.471 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.650 13.996 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.915 13.841 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.615 16.201 10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.860 15.736 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.036 15.602 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.888 15.831 9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.797 18.092 9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.000 17.862 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.985 19.201 8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.172 17.739 7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.944 17.962 8.788 1.00 0.00 H new ATOM 1089 N GLU A 71 -6.812 13.988 7.223 1.00 0.00 N ATOM 1090 CA GLU A 71 -5.897 13.964 6.082 1.00 0.00 C ATOM 1091 C GLU A 71 -6.149 12.642 5.334 1.00 0.00 C ATOM 1092 O GLU A 71 -7.300 12.378 4.975 1.00 0.00 O ATOM 1093 CB GLU A 71 -4.435 14.267 6.479 1.00 0.00 C ATOM 1094 CG GLU A 71 -4.272 15.659 7.111 1.00 0.00 C ATOM 1095 CD GLU A 71 -2.797 15.959 7.433 1.00 0.00 C ATOM 1096 OE1 GLU A 71 -2.340 15.643 8.559 1.00 0.00 O ATOM 1097 OE2 GLU A 71 -2.087 16.529 6.570 1.00 0.00 O ATOM 0 H GLU A 71 -7.420 14.807 7.231 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.095 14.779 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.089 13.510 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.800 14.196 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.659 16.417 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.865 15.718 8.024 1.00 0.00 H new ATOM 1104 N GLY A 72 -5.131 11.801 5.120 1.00 0.00 N ATOM 1105 CA GLY A 72 -5.341 10.461 4.579 1.00 0.00 C ATOM 1106 C GLY A 72 -5.587 10.454 3.071 1.00 0.00 C ATOM 1107 O GLY A 72 -6.343 9.618 2.570 1.00 0.00 O ATOM 0 H GLY A 72 -4.156 12.028 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.469 9.845 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.192 10.002 5.082 1.00 0.00 H new ATOM 1111 N ILE A 73 -4.985 11.401 2.344 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.078 11.466 0.894 1.00 0.00 C ATOM 1113 C ILE A 73 -4.115 10.415 0.318 1.00 0.00 C ATOM 1114 O ILE A 73 -2.985 10.278 0.796 1.00 0.00 O ATOM 1115 CB ILE A 73 -4.800 12.902 0.382 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -5.950 13.894 0.668 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -4.594 12.947 -1.140 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.229 14.183 2.140 1.00 0.00 C ATOM 0 H ILE A 73 -4.419 12.144 2.753 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.088 11.236 0.555 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.900 13.193 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.724 14.836 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.862 13.504 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.402 13.974 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.744 12.321 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.490 12.578 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.054 14.891 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.494 13.256 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.339 14.609 2.602 1.00 0.00 H new ATOM 1130 N ILE A 74 -4.539 9.717 -0.738 1.00 0.00 N ATOM 1131 CA ILE A 74 -3.725 8.833 -1.561 1.00 0.00 C ATOM 1132 C ILE A 74 -3.445 9.621 -2.838 1.00 0.00 C ATOM 1133 O ILE A 74 -4.388 10.141 -3.432 1.00 0.00 O ATOM 1134 CB ILE A 74 -4.487 7.514 -1.825 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -4.909 6.816 -0.514 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -3.684 6.557 -2.724 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -3.767 6.418 0.429 1.00 0.00 C ATOM 0 H ILE A 74 -5.508 9.758 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.789 8.542 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.397 7.785 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.586 7.478 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.474 5.919 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.256 5.643 -2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.490 7.036 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.737 6.313 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.179 5.937 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.098 5.726 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.212 7.308 0.724 1.00 0.00 H new ATOM 1149 N HIS A 75 -2.191 9.722 -3.277 1.00 0.00 N ATOM 1150 CA HIS A 75 -1.852 10.374 -4.539 1.00 0.00 C ATOM 1151 C HIS A 75 -1.520 9.289 -5.562 1.00 0.00 C ATOM 1152 O HIS A 75 -0.611 8.488 -5.328 1.00 0.00 O ATOM 1153 CB HIS A 75 -0.681 11.348 -4.346 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.045 12.575 -3.547 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.010 12.711 -2.175 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.473 13.771 -4.058 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.411 13.960 -1.875 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.711 14.644 -2.993 1.00 0.00 N ATOM 0 H HIS A 75 -1.386 9.356 -2.770 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.695 10.963 -4.900 1.00 0.00 H new ATOM 0 HB2 HIS A 75 0.136 10.827 -3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.311 11.657 -5.324 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.730 11.993 -1.507 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.604 14.000 -5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.482 14.358 -0.874 1.00 0.00 H new ATOM 1166 N THR A 76 -2.204 9.300 -6.706 1.00 0.00 N ATOM 1167 CA THR A 76 -1.942 8.402 -7.825 1.00 0.00 C ATOM 1168 C THR A 76 -1.892 9.219 -9.107 1.00 0.00 C ATOM 1169 O THR A 76 -2.659 10.169 -9.241 1.00 0.00 O ATOM 1170 CB THR A 76 -3.026 7.312 -7.936 1.00 0.00 C ATOM 1171 OG1 THR A 76 -3.397 6.823 -6.652 1.00 0.00 O ATOM 1172 CG2 THR A 76 -2.500 6.154 -8.785 1.00 0.00 C ATOM 0 H THR A 76 -2.972 9.948 -6.882 1.00 0.00 H new ATOM 0 HA THR A 76 -0.988 7.902 -7.659 1.00 0.00 H new ATOM 0 HB THR A 76 -3.906 7.752 -8.405 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.087 6.134 -6.751 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.266 5.383 -8.864 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.248 6.518 -9.781 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.610 5.734 -8.316 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.046 8.840 -10.062 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.073 9.417 -11.396 1.00 0.00 C ATOM 1182 C LEU A 77 -1.969 8.546 -12.263 1.00 0.00 C ATOM 1183 O LEU A 77 -1.815 7.330 -12.281 1.00 0.00 O ATOM 1184 CB LEU A 77 0.355 9.517 -11.943 1.00 0.00 C ATOM 1185 CG LEU A 77 0.436 9.994 -13.402 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.059 11.434 -13.560 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.885 9.906 -13.877 1.00 0.00 C ATOM 0 H LEU A 77 -0.328 8.128 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.477 10.429 -11.386 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.926 10.202 -11.316 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.832 8.540 -11.864 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.207 9.351 -14.003 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.015 11.732 -14.606 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.098 11.499 -13.237 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.553 12.098 -12.950 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.950 10.243 -14.912 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.513 10.539 -13.249 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.228 8.874 -13.810 1.00 0.00 H new ATOM 1199 N ILE A 78 -2.895 9.156 -12.985 1.00 0.00 N ATOM 1200 CA ILE A 78 -3.695 8.541 -14.021 1.00 0.00 C ATOM 1201 C ILE A 78 -3.222 9.183 -15.332 1.00 0.00 C ATOM 1202 O ILE A 78 -2.951 10.386 -15.371 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.203 8.748 -13.730 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -5.791 7.704 -12.758 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.047 8.717 -15.009 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -5.174 7.733 -11.365 1.00 0.00 C ATOM 0 H ILE A 78 -3.117 10.143 -12.854 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.571 7.459 -14.076 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.252 9.733 -13.265 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.865 7.869 -12.671 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.654 6.710 -13.184 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.097 8.866 -14.756 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.719 9.511 -15.681 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.926 7.752 -15.501 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.642 6.969 -10.744 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.104 7.537 -11.437 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.334 8.714 -10.917 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.150 8.411 -16.413 1.00 0.00 N ATOM 1219 CA VAL A 79 -2.854 8.881 -17.756 1.00 0.00 C ATOM 1220 C VAL A 79 -3.805 8.182 -18.719 1.00 0.00 C ATOM 1221 O VAL A 79 -3.988 6.968 -18.627 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.376 8.636 -18.112 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.012 9.188 -19.497 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -0.458 9.280 -17.069 1.00 0.00 C ATOM 0 H VAL A 79 -3.303 7.403 -16.372 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.005 9.958 -17.825 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.234 7.555 -18.123 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.040 8.991 -19.702 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.627 8.703 -20.255 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.191 10.263 -19.519 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.582 9.096 -17.337 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.641 10.354 -17.037 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.662 8.848 -16.089 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.431 8.954 -19.613 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.433 8.489 -20.579 1.00 0.00 C ATOM 1236 C ASP A 80 -6.468 7.558 -19.917 1.00 0.00 C ATOM 1237 O ASP A 80 -6.834 6.504 -20.442 1.00 0.00 O ATOM 1238 CB ASP A 80 -4.764 7.927 -21.841 1.00 0.00 C ATOM 1239 CG ASP A 80 -5.752 7.688 -22.999 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.760 8.423 -23.130 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -5.490 6.776 -23.823 1.00 0.00 O ATOM 0 H ASP A 80 -4.248 9.955 -19.687 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.017 9.342 -20.926 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.988 8.618 -22.171 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.270 6.987 -21.594 1.00 0.00 H new ATOM 1246 N ASN A 81 -6.896 7.951 -18.709 1.00 0.00 N ATOM 1247 CA ASN A 81 -7.862 7.272 -17.838 1.00 0.00 C ATOM 1248 C ASN A 81 -7.445 5.882 -17.311 1.00 0.00 C ATOM 1249 O ASN A 81 -8.298 5.133 -16.829 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.275 7.311 -18.453 1.00 0.00 C ATOM 1251 CG ASN A 81 -10.380 7.082 -17.415 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -10.284 7.515 -16.267 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.474 6.439 -17.800 1.00 0.00 N ATOM 0 H ASN A 81 -6.551 8.813 -18.286 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.879 7.855 -16.917 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.430 8.276 -18.935 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.349 6.550 -19.230 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.242 6.301 -17.143 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.547 6.083 -18.753 1.00 0.00 H new ATOM 1260 N ARG A 82 -6.156 5.517 -17.357 1.00 0.00 N ATOM 1261 CA ARG A 82 -5.597 4.335 -16.697 1.00 0.00 C ATOM 1262 C ARG A 82 -4.620 4.744 -15.610 1.00 0.00 C ATOM 1263 O ARG A 82 -4.025 5.817 -15.663 1.00 0.00 O ATOM 1264 CB ARG A 82 -4.965 3.365 -17.710 1.00 0.00 C ATOM 1265 CG ARG A 82 -6.069 2.587 -18.441 1.00 0.00 C ATOM 1266 CD ARG A 82 -6.375 3.100 -19.847 1.00 0.00 C ATOM 1267 NE ARG A 82 -5.283 2.812 -20.800 1.00 0.00 N ATOM 1268 CZ ARG A 82 -5.049 3.489 -21.931 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -5.738 4.591 -22.194 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -4.126 3.067 -22.790 1.00 0.00 N ATOM 0 H ARG A 82 -5.456 6.053 -17.870 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.414 3.794 -16.220 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.360 3.918 -18.428 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.298 2.673 -17.197 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.777 1.539 -18.505 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.981 2.628 -17.846 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.297 2.642 -20.205 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.547 4.176 -19.809 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.658 2.036 -20.579 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.444 4.921 -21.535 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.562 5.109 -23.055 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.591 2.222 -22.589 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.953 3.588 -23.650 1.00 0.00 H new ATOM 1284 N GLU A 83 -4.491 3.892 -14.600 1.00 0.00 N ATOM 1285 CA GLU A 83 -3.778 4.182 -13.369 1.00 0.00 C ATOM 1286 C GLU A 83 -2.298 3.813 -13.503 1.00 0.00 C ATOM 1287 O GLU A 83 -1.965 2.757 -14.048 1.00 0.00 O ATOM 1288 CB GLU A 83 -4.495 3.457 -12.225 1.00 0.00 C ATOM 1289 CG GLU A 83 -3.847 3.713 -10.870 1.00 0.00 C ATOM 1290 CD GLU A 83 -4.622 3.009 -9.740 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -5.587 3.603 -9.199 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -4.264 1.861 -9.383 1.00 0.00 O ATOM 0 H GLU A 83 -4.892 2.954 -14.619 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.787 5.249 -13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.536 3.779 -12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.499 2.385 -12.425 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.817 3.358 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.812 4.785 -10.677 1.00 0.00 H new ATOM 1299 N ILE A 84 -1.419 4.677 -12.988 1.00 0.00 N ATOM 1300 CA ILE A 84 0.033 4.575 -13.042 1.00 0.00 C ATOM 1301 C ILE A 84 0.531 4.487 -11.585 1.00 0.00 C ATOM 1302 O ILE A 84 0.387 5.459 -10.837 1.00 0.00 O ATOM 1303 CB ILE A 84 0.617 5.795 -13.806 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.051 6.082 -15.168 1.00 0.00 C ATOM 1305 CG2 ILE A 84 2.135 5.662 -13.991 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -0.010 4.946 -16.195 1.00 0.00 C ATOM 0 H ILE A 84 -1.725 5.515 -12.494 1.00 0.00 H new ATOM 0 HA ILE A 84 0.363 3.690 -13.585 1.00 0.00 H new ATOM 0 HB ILE A 84 0.392 6.650 -13.169 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.094 6.345 -14.989 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.428 6.958 -15.607 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.514 6.531 -14.529 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.617 5.601 -13.015 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.354 4.759 -14.561 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.509 5.265 -17.110 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.027 4.693 -16.417 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.518 4.071 -15.790 1.00 0.00 H new ATOM 1318 N PRO A 85 1.087 3.346 -11.141 1.00 0.00 N ATOM 1319 CA PRO A 85 1.615 3.187 -9.787 1.00 0.00 C ATOM 1320 C PRO A 85 2.966 3.907 -9.639 1.00 0.00 C ATOM 1321 O PRO A 85 3.715 4.029 -10.612 1.00 0.00 O ATOM 1322 CB PRO A 85 1.745 1.675 -9.577 1.00 0.00 C ATOM 1323 CG PRO A 85 2.024 1.153 -10.988 1.00 0.00 C ATOM 1324 CD PRO A 85 1.221 2.101 -11.882 1.00 0.00 C ATOM 0 HA PRO A 85 0.962 3.632 -9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.555 1.431 -8.889 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.834 1.246 -9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.088 1.182 -11.224 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.700 0.119 -11.105 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.731 2.266 -12.831 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.243 1.680 -12.115 1.00 0.00 H new ATOM 1332 N GLU A 86 3.282 4.376 -8.424 1.00 0.00 N ATOM 1333 CA GLU A 86 4.562 5.013 -8.110 1.00 0.00 C ATOM 1334 C GLU A 86 5.733 4.069 -8.423 1.00 0.00 C ATOM 1335 O GLU A 86 5.586 2.840 -8.441 1.00 0.00 O ATOM 1336 CB GLU A 86 4.626 5.444 -6.631 1.00 0.00 C ATOM 1337 CG GLU A 86 4.571 6.970 -6.451 1.00 0.00 C ATOM 1338 CD GLU A 86 5.524 7.444 -5.350 1.00 0.00 C ATOM 1339 OE1 GLU A 86 6.717 7.708 -5.631 1.00 0.00 O ATOM 1340 OE2 GLU A 86 5.085 7.634 -4.193 1.00 0.00 O ATOM 0 H GLU A 86 2.648 4.322 -7.626 1.00 0.00 H new ATOM 0 HA GLU A 86 4.644 5.902 -8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.797 4.989 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.545 5.063 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.830 7.457 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.553 7.271 -6.206 1.00 0.00 H new ATOM 1347 N ILE A 87 6.913 4.663 -8.623 1.00 0.00 N ATOM 1348 CA ILE A 87 8.160 3.928 -8.816 1.00 0.00 C ATOM 1349 C ILE A 87 8.469 3.021 -7.612 1.00 0.00 C ATOM 1350 O ILE A 87 8.062 3.299 -6.478 1.00 0.00 O ATOM 1351 CB ILE A 87 9.329 4.894 -9.110 1.00 0.00 C ATOM 1352 CG1 ILE A 87 9.508 5.971 -8.028 1.00 0.00 C ATOM 1353 CG2 ILE A 87 9.177 5.490 -10.522 1.00 0.00 C ATOM 1354 CD1 ILE A 87 10.899 6.620 -8.054 1.00 0.00 C ATOM 0 H ILE A 87 7.027 5.676 -8.655 1.00 0.00 H new ATOM 0 HA ILE A 87 8.036 3.281 -9.685 1.00 0.00 H new ATOM 0 HB ILE A 87 10.253 4.316 -9.082 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.750 6.743 -8.162 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.339 5.525 -7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.005 6.170 -10.721 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.182 4.687 -11.259 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.236 6.036 -10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.965 7.372 -7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.660 5.857 -7.891 1.00 0.00 H new ATOM 0 HD13 ILE A 87 11.062 7.093 -9.022 1.00 0.00 H new ATOM 1366 N ALA A 88 9.226 1.950 -7.875 1.00 0.00 N ATOM 1367 CA ALA A 88 9.638 0.943 -6.895 1.00 0.00 C ATOM 1368 C ALA A 88 11.157 0.711 -6.916 1.00 0.00 C ATOM 1369 O ALA A 88 11.651 -0.374 -6.590 1.00 0.00 O ATOM 1370 CB ALA A 88 8.845 -0.341 -7.137 1.00 0.00 C ATOM 0 H ALA A 88 9.581 1.755 -8.811 1.00 0.00 H new ATOM 0 HA ALA A 88 9.413 1.305 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.146 -1.097 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.780 -0.137 -7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.043 -0.707 -8.145 1.00 0.00 H new ATOM 1376 N SER A 89 11.886 1.737 -7.347 1.00 0.00 N ATOM 1377 CA SER A 89 13.339 1.763 -7.435 1.00 0.00 C ATOM 1378 C SER A 89 13.954 1.569 -6.043 1.00 0.00 C ATOM 1379 O SER A 89 14.950 0.817 -5.931 1.00 0.00 O ATOM 1380 CB SER A 89 13.805 3.085 -8.062 1.00 0.00 C ATOM 1381 OG SER A 89 13.067 3.369 -9.252 1.00 0.00 O ATOM 1382 OXT SER A 89 13.449 2.172 -5.064 1.00 0.00 O ATOM 0 H SER A 89 11.459 2.610 -7.657 1.00 0.00 H new ATOM 0 HA SER A 89 13.674 0.945 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.677 3.897 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.869 3.028 -8.293 1.00 0.00 H new ATOM 0 HG SER A 89 13.378 4.216 -9.635 1.00 0.00 H new TER 1388 SER A 89