USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 563 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 36 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-6.2!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -59:sc= 0.0164 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0498) USER MOD Single : A 28 TYR OH : rot -70:sc= 1.45 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.91 X(o=-3.9,f=-4.2!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 46 THR OG1 : rot 140:sc= -0.689 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 81:sc= 0.483 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0346 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.16! C(o=-3.2!,f=-2.6!) USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.102 (180deg=-0.471) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.0468 (180deg=-0.354) USER MOD Single : A 67 GLN : amide:sc= -0.48 X(o=-0.48,f=0) USER MOD Single : A 68 TYR OH : rot -27:sc= -1.64 USER MOD Single : A 70 GLN : amide:sc= -0.706 X(o=-0.71,f=-0.46) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.968 -13.098 18.883 1.00 0.00 N ATOM 2 CA GLY A 1 -7.916 -13.982 18.416 1.00 0.00 C ATOM 3 C GLY A 1 -7.124 -13.386 17.270 1.00 0.00 C ATOM 4 O GLY A 1 -5.923 -13.146 17.394 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.480 -13.551 19.667 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.550 -12.205 19.213 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.629 -12.903 18.104 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.241 -14.206 19.242 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.355 -14.927 18.097 1.00 0.00 H new ATOM 8 N SER A 2 -7.797 -13.147 16.149 1.00 0.00 N ATOM 9 CA SER A 2 -7.147 -12.580 14.973 1.00 0.00 C ATOM 10 C SER A 2 -5.768 -13.200 14.763 1.00 0.00 C ATOM 11 O SER A 2 -4.806 -12.504 14.439 1.00 0.00 O ATOM 12 CB SER A 2 -7.020 -11.063 15.116 1.00 0.00 C ATOM 13 OG SER A 2 -6.838 -10.445 13.853 1.00 0.00 O ATOM 0 H SER A 2 -8.792 -13.337 16.030 1.00 0.00 H new ATOM 0 HA SER A 2 -7.764 -12.805 14.103 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.914 -10.664 15.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.178 -10.825 15.766 1.00 0.00 H new ATOM 0 HG SER A 2 -6.026 -10.796 13.431 1.00 0.00 H new ATOM 19 N SER A 3 -5.681 -14.513 14.950 1.00 0.00 N ATOM 20 CA SER A 3 -4.420 -15.226 14.786 1.00 0.00 C ATOM 21 C SER A 3 -4.025 -15.298 13.314 1.00 0.00 C ATOM 22 O SER A 3 -4.856 -15.572 12.449 1.00 0.00 O ATOM 23 CB SER A 3 -4.530 -16.638 15.365 1.00 0.00 C ATOM 24 OG SER A 3 -3.265 -17.277 15.393 1.00 0.00 O ATOM 0 H SER A 3 -6.469 -15.104 15.215 1.00 0.00 H new ATOM 0 HA SER A 3 -3.648 -14.678 15.326 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.939 -16.590 16.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.225 -17.227 14.767 1.00 0.00 H new ATOM 0 HG SER A 3 -3.361 -18.177 15.769 1.00 0.00 H new ATOM 30 N GLY A 4 -2.748 -15.050 13.038 1.00 0.00 N ATOM 31 CA GLY A 4 -2.264 -15.090 11.670 1.00 0.00 C ATOM 32 C GLY A 4 -2.299 -13.730 11.002 1.00 0.00 C ATOM 33 O GLY A 4 -3.293 -13.364 10.375 1.00 0.00 O ATOM 0 H GLY A 4 -2.041 -14.822 13.737 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.242 -15.470 11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.870 -15.790 11.094 1.00 0.00 H new ATOM 37 N SER A 5 -1.211 -12.978 11.137 1.00 0.00 N ATOM 38 CA SER A 5 -1.123 -11.648 10.545 1.00 0.00 C ATOM 39 C SER A 5 -0.484 -11.710 9.161 1.00 0.00 C ATOM 40 O SER A 5 0.689 -12.056 9.022 1.00 0.00 O ATOM 41 CB SER A 5 -0.316 -10.716 11.451 1.00 0.00 C ATOM 42 OG SER A 5 -1.127 -10.176 12.480 1.00 0.00 O ATOM 0 H SER A 5 -0.379 -13.267 11.651 1.00 0.00 H new ATOM 0 HA SER A 5 -2.135 -11.256 10.441 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.518 -11.263 11.891 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.111 -9.907 10.858 1.00 0.00 H new ATOM 0 HG SER A 5 -0.587 -9.585 13.046 1.00 0.00 H new ATOM 48 N SER A 6 -1.265 -11.372 8.140 1.00 0.00 N ATOM 49 CA SER A 6 -0.778 -11.392 6.766 1.00 0.00 C ATOM 50 C SER A 6 -0.110 -10.068 6.407 1.00 0.00 C ATOM 51 O SER A 6 1.072 -10.028 6.067 1.00 0.00 O ATOM 52 CB SER A 6 -1.929 -11.675 5.799 1.00 0.00 C ATOM 53 OG SER A 6 -2.524 -12.933 6.067 1.00 0.00 O ATOM 0 H SER A 6 -2.238 -11.081 8.239 1.00 0.00 H new ATOM 0 HA SER A 6 -0.037 -12.187 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.680 -10.889 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.560 -11.655 4.774 1.00 0.00 H new ATOM 0 HG SER A 6 -3.258 -13.089 5.436 1.00 0.00 H new ATOM 59 N GLY A 7 -0.878 -8.985 6.484 1.00 0.00 N ATOM 60 CA GLY A 7 -0.345 -7.674 6.164 1.00 0.00 C ATOM 61 C GLY A 7 -1.311 -6.838 5.348 1.00 0.00 C ATOM 62 O GLY A 7 -1.014 -6.464 4.213 1.00 0.00 O ATOM 0 H GLY A 7 -1.859 -8.993 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.105 -7.148 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.587 -7.789 5.611 1.00 0.00 H new ATOM 66 N ASP A 8 -2.471 -6.547 5.925 1.00 0.00 N ATOM 67 CA ASP A 8 -3.485 -5.750 5.243 1.00 0.00 C ATOM 68 C ASP A 8 -2.846 -4.596 4.478 1.00 0.00 C ATOM 69 O ASP A 8 -1.899 -3.970 4.955 1.00 0.00 O ATOM 70 CB ASP A 8 -4.502 -5.210 6.250 1.00 0.00 C ATOM 71 CG ASP A 8 -5.573 -6.226 6.593 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.247 -7.429 6.673 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.738 -5.818 6.783 1.00 0.00 O ATOM 0 H ASP A 8 -2.733 -6.851 6.863 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.999 -6.394 4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.983 -4.912 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.972 -4.315 5.843 1.00 0.00 H new ATOM 78 N TYR A 9 -3.369 -4.320 3.289 1.00 0.00 N ATOM 79 CA TYR A 9 -2.847 -3.244 2.455 1.00 0.00 C ATOM 80 C TYR A 9 -2.706 -1.954 3.257 1.00 0.00 C ATOM 81 O TYR A 9 -1.661 -1.303 3.230 1.00 0.00 O ATOM 82 CB TYR A 9 -3.763 -3.012 1.252 1.00 0.00 C ATOM 83 CG TYR A 9 -3.790 -4.169 0.280 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.613 -4.691 -0.243 1.00 0.00 C ATOM 85 CD2 TYR A 9 -4.992 -4.741 -0.117 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.632 -5.748 -1.132 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.021 -5.799 -1.005 1.00 0.00 C ATOM 88 CZ TYR A 9 -3.839 -6.299 -1.510 1.00 0.00 C ATOM 89 OH TYR A 9 -3.864 -7.352 -2.395 1.00 0.00 O ATOM 0 H TYR A 9 -4.154 -4.827 2.881 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.860 -3.540 2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.776 -2.824 1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.438 -2.114 0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.666 -4.262 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.920 -4.352 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.708 -6.141 -1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.965 -6.232 -1.302 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.792 -7.623 -2.555 1.00 0.00 H new ATOM 99 N TYR A 10 -3.765 -1.590 3.971 1.00 0.00 N ATOM 100 CA TYR A 10 -3.762 -0.377 4.781 1.00 0.00 C ATOM 101 C TYR A 10 -2.543 -0.338 5.698 1.00 0.00 C ATOM 102 O TYR A 10 -1.960 0.721 5.927 1.00 0.00 O ATOM 103 CB TYR A 10 -5.043 -0.290 5.612 1.00 0.00 C ATOM 104 CG TYR A 10 -6.277 0.009 4.792 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.470 1.262 4.222 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.251 -0.961 4.587 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.597 1.540 3.473 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.380 -0.692 3.838 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.549 0.560 3.283 1.00 0.00 C ATOM 110 OH TYR A 10 -9.672 0.832 2.537 1.00 0.00 O ATOM 0 H TYR A 10 -4.637 -2.118 4.006 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.715 0.479 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.188 -1.232 6.141 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.923 0.485 6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.726 2.031 4.367 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.123 -1.942 5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.732 2.519 3.038 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.127 -1.458 3.688 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.241 0.035 2.499 1.00 0.00 H new ATOM 120 N GLU A 11 -2.165 -1.501 6.219 1.00 0.00 N ATOM 121 CA GLU A 11 -1.016 -1.599 7.112 1.00 0.00 C ATOM 122 C GLU A 11 0.286 -1.375 6.349 1.00 0.00 C ATOM 123 O GLU A 11 1.080 -0.501 6.699 1.00 0.00 O ATOM 124 CB GLU A 11 -0.990 -2.968 7.796 1.00 0.00 C ATOM 125 CG GLU A 11 -2.291 -3.323 8.496 1.00 0.00 C ATOM 126 CD GLU A 11 -2.426 -2.656 9.851 1.00 0.00 C ATOM 127 OE1 GLU A 11 -1.579 -2.920 10.730 1.00 0.00 O ATOM 128 OE2 GLU A 11 -3.378 -1.868 10.032 1.00 0.00 O ATOM 0 H GLU A 11 -2.637 -2.387 6.039 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.110 -0.823 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.767 -3.733 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.179 -2.986 8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.130 -3.029 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.349 -4.404 8.620 1.00 0.00 H new ATOM 135 N ILE A 12 0.498 -2.170 5.306 1.00 0.00 N ATOM 136 CA ILE A 12 1.703 -2.058 4.493 1.00 0.00 C ATOM 137 C ILE A 12 2.057 -0.598 4.232 1.00 0.00 C ATOM 138 O ILE A 12 3.228 -0.217 4.258 1.00 0.00 O ATOM 139 CB ILE A 12 1.543 -2.785 3.145 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.466 -4.297 3.361 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.694 -2.435 2.214 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.161 -5.074 2.099 1.00 0.00 C ATOM 0 H ILE A 12 -0.149 -2.899 5.004 1.00 0.00 H new ATOM 0 HA ILE A 12 2.508 -2.529 5.057 1.00 0.00 H new ATOM 0 HB ILE A 12 0.613 -2.456 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.413 -4.646 3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.698 -4.511 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.566 -2.957 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.705 -1.359 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.636 -2.738 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.122 -6.139 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.200 -4.753 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.942 -4.890 1.361 1.00 0.00 H new ATOM 154 N LEU A 13 1.037 0.216 3.982 1.00 0.00 N ATOM 155 CA LEU A 13 1.239 1.637 3.718 1.00 0.00 C ATOM 156 C LEU A 13 1.450 2.407 5.018 1.00 0.00 C ATOM 157 O LEU A 13 2.252 3.338 5.076 1.00 0.00 O ATOM 158 CB LEU A 13 0.041 2.210 2.961 1.00 0.00 C ATOM 159 CG LEU A 13 -0.329 1.504 1.656 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.757 1.839 1.254 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.642 1.888 0.549 1.00 0.00 C ATOM 0 H LEU A 13 0.062 -0.083 3.957 1.00 0.00 H new ATOM 0 HA LEU A 13 2.133 1.744 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.826 2.187 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.244 3.258 2.739 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.261 0.428 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.002 1.328 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.441 1.514 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.852 2.916 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.364 1.377 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.606 2.966 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.653 1.597 0.835 1.00 0.00 H new ATOM 173 N GLY A 14 0.726 2.010 6.060 1.00 0.00 N ATOM 174 CA GLY A 14 0.850 2.673 7.345 1.00 0.00 C ATOM 175 C GLY A 14 -0.290 3.635 7.614 1.00 0.00 C ATOM 176 O GLY A 14 -0.072 4.751 8.085 1.00 0.00 O ATOM 0 H GLY A 14 0.056 1.241 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.883 1.923 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.795 3.215 7.381 1.00 0.00 H new ATOM 180 N VAL A 15 -1.510 3.203 7.312 1.00 0.00 N ATOM 181 CA VAL A 15 -2.689 4.035 7.523 1.00 0.00 C ATOM 182 C VAL A 15 -3.795 3.253 8.224 1.00 0.00 C ATOM 183 O VAL A 15 -3.611 2.093 8.593 1.00 0.00 O ATOM 184 CB VAL A 15 -3.232 4.588 6.191 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.134 5.310 5.426 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.829 3.467 5.353 1.00 0.00 C ATOM 0 H VAL A 15 -1.708 2.282 6.921 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.380 4.868 8.155 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.022 5.307 6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.536 5.694 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.757 6.139 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.321 4.616 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.208 3.875 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.061 2.723 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.646 2.999 5.901 1.00 0.00 H new ATOM 196 N SER A 16 -4.944 3.896 8.405 1.00 0.00 N ATOM 197 CA SER A 16 -6.079 3.262 9.065 1.00 0.00 C ATOM 198 C SER A 16 -7.012 2.620 8.043 1.00 0.00 C ATOM 199 O SER A 16 -6.951 2.926 6.852 1.00 0.00 O ATOM 200 CB SER A 16 -6.847 4.288 9.901 1.00 0.00 C ATOM 201 OG SER A 16 -6.248 4.459 11.174 1.00 0.00 O ATOM 0 H SER A 16 -5.113 4.856 8.104 1.00 0.00 H new ATOM 0 HA SER A 16 -5.697 2.481 9.722 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.873 5.243 9.376 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.880 3.963 10.022 1.00 0.00 H new ATOM 0 HG SER A 16 -6.756 5.121 11.688 1.00 0.00 H new ATOM 207 N ARG A 17 -7.876 1.729 8.519 1.00 0.00 N ATOM 208 CA ARG A 17 -8.822 1.042 7.648 1.00 0.00 C ATOM 209 C ARG A 17 -9.933 1.987 7.200 1.00 0.00 C ATOM 210 O ARG A 17 -10.868 2.263 7.951 1.00 0.00 O ATOM 211 CB ARG A 17 -9.424 -0.167 8.366 1.00 0.00 C ATOM 212 CG ARG A 17 -8.636 -1.451 8.164 1.00 0.00 C ATOM 213 CD ARG A 17 -9.125 -2.219 6.946 1.00 0.00 C ATOM 214 NE ARG A 17 -10.302 -3.029 7.247 1.00 0.00 N ATOM 215 CZ ARG A 17 -11.145 -3.473 6.321 1.00 0.00 C ATOM 216 NH1 ARG A 17 -10.941 -3.187 5.042 1.00 0.00 N ATOM 217 NH2 ARG A 17 -12.194 -4.205 6.673 1.00 0.00 N ATOM 0 H ARG A 17 -7.940 1.466 9.502 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.282 0.699 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.484 0.048 9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.444 -0.318 8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.578 -1.215 8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.726 -2.078 9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.362 -1.517 6.146 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.326 -2.863 6.578 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.487 -3.267 8.221 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.135 -2.625 4.767 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.590 -3.529 4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.354 -4.427 7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.840 -4.545 5.961 1.00 0.00 H new ATOM 231 N GLY A 18 -9.824 2.480 5.970 1.00 0.00 N ATOM 232 CA GLY A 18 -10.826 3.389 5.443 1.00 0.00 C ATOM 233 C GLY A 18 -10.237 4.723 5.029 1.00 0.00 C ATOM 234 O GLY A 18 -10.962 5.703 4.858 1.00 0.00 O ATOM 0 H GLY A 18 -9.060 2.266 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.314 2.929 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.596 3.553 6.197 1.00 0.00 H new ATOM 238 N ALA A 19 -8.918 4.762 4.868 1.00 0.00 N ATOM 239 CA ALA A 19 -8.233 5.986 4.471 1.00 0.00 C ATOM 240 C ALA A 19 -8.601 6.383 3.045 1.00 0.00 C ATOM 241 O ALA A 19 -8.584 5.553 2.136 1.00 0.00 O ATOM 242 CB ALA A 19 -6.727 5.813 4.601 1.00 0.00 C ATOM 0 H ALA A 19 -8.303 3.960 5.006 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.555 6.786 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.228 6.734 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.475 5.584 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.398 4.996 3.958 1.00 0.00 H new ATOM 248 N SER A 20 -8.933 7.656 2.857 1.00 0.00 N ATOM 249 CA SER A 20 -9.309 8.161 1.542 1.00 0.00 C ATOM 250 C SER A 20 -8.135 8.079 0.572 1.00 0.00 C ATOM 251 O SER A 20 -7.003 7.804 0.972 1.00 0.00 O ATOM 252 CB SER A 20 -9.797 9.608 1.649 1.00 0.00 C ATOM 253 OG SER A 20 -10.461 10.011 0.463 1.00 0.00 O ATOM 0 H SER A 20 -8.949 8.356 3.598 1.00 0.00 H new ATOM 0 HA SER A 20 -10.118 7.539 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.473 9.705 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.950 10.268 1.838 1.00 0.00 H new ATOM 0 HG SER A 20 -10.765 10.938 0.557 1.00 0.00 H new ATOM 259 N ASP A 21 -8.413 8.318 -0.705 1.00 0.00 N ATOM 260 CA ASP A 21 -7.380 8.272 -1.734 1.00 0.00 C ATOM 261 C ASP A 21 -6.166 9.099 -1.322 1.00 0.00 C ATOM 262 O ASP A 21 -5.028 8.643 -1.430 1.00 0.00 O ATOM 263 CB ASP A 21 -7.933 8.783 -3.065 1.00 0.00 C ATOM 264 CG ASP A 21 -8.517 10.178 -2.952 1.00 0.00 C ATOM 265 OD1 ASP A 21 -7.734 11.151 -2.956 1.00 0.00 O ATOM 266 OD2 ASP A 21 -9.756 10.297 -2.861 1.00 0.00 O ATOM 0 H ASP A 21 -9.345 8.545 -1.052 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.067 7.235 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.137 8.785 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.702 8.098 -3.423 1.00 0.00 H new ATOM 271 N GLU A 22 -6.417 10.316 -0.851 1.00 0.00 N ATOM 272 CA GLU A 22 -5.344 11.207 -0.425 1.00 0.00 C ATOM 273 C GLU A 22 -4.463 10.535 0.624 1.00 0.00 C ATOM 274 O GLU A 22 -3.260 10.368 0.426 1.00 0.00 O ATOM 275 CB GLU A 22 -5.922 12.508 0.135 1.00 0.00 C ATOM 276 CG GLU A 22 -6.999 12.292 1.185 1.00 0.00 C ATOM 277 CD GLU A 22 -7.985 13.442 1.254 1.00 0.00 C ATOM 278 OE1 GLU A 22 -7.539 14.595 1.429 1.00 0.00 O ATOM 279 OE2 GLU A 22 -9.202 13.189 1.134 1.00 0.00 O ATOM 0 H GLU A 22 -7.354 10.708 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.731 11.437 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.115 13.097 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.338 13.094 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.537 11.370 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.530 12.162 2.160 1.00 0.00 H new ATOM 286 N ASP A 23 -5.072 10.151 1.741 1.00 0.00 N ATOM 287 CA ASP A 23 -4.345 9.497 2.822 1.00 0.00 C ATOM 288 C ASP A 23 -3.486 8.355 2.287 1.00 0.00 C ATOM 289 O ASP A 23 -2.314 8.227 2.642 1.00 0.00 O ATOM 290 CB ASP A 23 -5.321 8.967 3.874 1.00 0.00 C ATOM 291 CG ASP A 23 -4.707 8.915 5.259 1.00 0.00 C ATOM 292 OD1 ASP A 23 -3.790 8.094 5.472 1.00 0.00 O ATOM 293 OD2 ASP A 23 -5.143 9.696 6.131 1.00 0.00 O ATOM 0 H ASP A 23 -6.067 10.282 1.921 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.690 10.235 3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.207 9.602 3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.651 7.968 3.588 1.00 0.00 H new ATOM 298 N LEU A 24 -4.077 7.528 1.432 1.00 0.00 N ATOM 299 CA LEU A 24 -3.366 6.396 0.848 1.00 0.00 C ATOM 300 C LEU A 24 -2.198 6.871 -0.011 1.00 0.00 C ATOM 301 O LEU A 24 -1.166 6.206 -0.096 1.00 0.00 O ATOM 302 CB LEU A 24 -4.322 5.548 0.006 1.00 0.00 C ATOM 303 CG LEU A 24 -5.563 5.021 0.726 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.701 4.806 -0.260 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.242 3.729 1.463 1.00 0.00 C ATOM 0 H LEU A 24 -5.046 7.620 1.128 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.971 5.788 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.647 6.143 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.768 4.697 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.879 5.765 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.576 4.431 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.947 5.752 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.396 4.081 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.137 3.368 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.901 2.979 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.458 3.914 2.198 1.00 0.00 H new ATOM 317 N LYS A 25 -2.368 8.026 -0.645 1.00 0.00 N ATOM 318 CA LYS A 25 -1.327 8.593 -1.494 1.00 0.00 C ATOM 319 C LYS A 25 -0.207 9.197 -0.653 1.00 0.00 C ATOM 320 O LYS A 25 0.943 8.764 -0.730 1.00 0.00 O ATOM 321 CB LYS A 25 -1.919 9.661 -2.417 1.00 0.00 C ATOM 322 CG LYS A 25 -1.013 10.031 -3.579 1.00 0.00 C ATOM 323 CD LYS A 25 -1.432 11.346 -4.215 1.00 0.00 C ATOM 324 CE LYS A 25 -2.762 11.215 -4.941 1.00 0.00 C ATOM 325 NZ LYS A 25 -2.588 10.702 -6.329 1.00 0.00 N ATOM 0 H LYS A 25 -3.217 8.588 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.909 7.789 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.871 9.303 -2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.131 10.557 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.017 10.107 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.038 9.239 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.510 12.115 -3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.664 11.673 -4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.415 10.543 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.256 12.186 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.517 10.627 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.986 11.356 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.140 9.764 -6.299 1.00 0.00 H new ATOM 339 N LYS A 26 -0.550 10.198 0.150 1.00 0.00 N ATOM 340 CA LYS A 26 0.425 10.860 1.008 1.00 0.00 C ATOM 341 C LYS A 26 1.268 9.837 1.763 1.00 0.00 C ATOM 342 O LYS A 26 2.497 9.865 1.701 1.00 0.00 O ATOM 343 CB LYS A 26 -0.283 11.785 2.001 1.00 0.00 C ATOM 344 CG LYS A 26 -1.065 12.905 1.337 1.00 0.00 C ATOM 345 CD LYS A 26 -1.574 13.910 2.357 1.00 0.00 C ATOM 346 CE LYS A 26 -2.768 14.687 1.825 1.00 0.00 C ATOM 347 NZ LYS A 26 -2.445 15.405 0.561 1.00 0.00 N ATOM 0 H LYS A 26 -1.497 10.569 0.225 1.00 0.00 H new ATOM 0 HA LYS A 26 1.085 11.453 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.962 11.194 2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.458 12.219 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.430 13.412 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.907 12.485 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.856 13.390 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.774 14.603 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.598 14.003 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.098 15.405 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.222 16.053 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.567 15.948 0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.320 14.716 -0.208 1.00 0.00 H new ATOM 361 N ALA A 27 0.600 8.935 2.474 1.00 0.00 N ATOM 362 CA ALA A 27 1.288 7.901 3.238 1.00 0.00 C ATOM 363 C ALA A 27 2.132 7.016 2.326 1.00 0.00 C ATOM 364 O ALA A 27 3.283 6.708 2.636 1.00 0.00 O ATOM 365 CB ALA A 27 0.284 7.060 4.012 1.00 0.00 C ATOM 0 H ALA A 27 -0.417 8.899 2.537 1.00 0.00 H new ATOM 0 HA ALA A 27 1.956 8.391 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.812 6.292 4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.273 7.698 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.408 6.586 3.315 1.00 0.00 H new ATOM 371 N TYR A 28 1.552 6.609 1.203 1.00 0.00 N ATOM 372 CA TYR A 28 2.250 5.756 0.248 1.00 0.00 C ATOM 373 C TYR A 28 3.569 6.390 -0.186 1.00 0.00 C ATOM 374 O TYR A 28 4.630 5.776 -0.076 1.00 0.00 O ATOM 375 CB TYR A 28 1.369 5.497 -0.975 1.00 0.00 C ATOM 376 CG TYR A 28 2.086 4.779 -2.096 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.809 3.618 -1.854 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.038 5.261 -3.399 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.466 2.959 -2.875 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.690 4.608 -4.426 1.00 0.00 C ATOM 381 CZ TYR A 28 3.403 3.458 -4.159 1.00 0.00 C ATOM 382 OH TYR A 28 4.055 2.804 -5.180 1.00 0.00 O ATOM 0 H TYR A 28 0.600 6.856 0.931 1.00 0.00 H new ATOM 0 HA TYR A 28 2.468 4.807 0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.504 4.907 -0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.990 6.449 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.858 3.223 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.481 6.162 -3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.026 2.059 -2.669 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.642 4.996 -5.433 1.00 0.00 H new ATOM 0 HH TYR A 28 5.023 2.906 -5.068 1.00 0.00 H new ATOM 392 N ARG A 29 3.492 7.621 -0.678 1.00 0.00 N ATOM 393 CA ARG A 29 4.678 8.339 -1.130 1.00 0.00 C ATOM 394 C ARG A 29 5.769 8.312 -0.063 1.00 0.00 C ATOM 395 O ARG A 29 6.847 7.760 -0.278 1.00 0.00 O ATOM 396 CB ARG A 29 4.324 9.786 -1.476 1.00 0.00 C ATOM 397 CG ARG A 29 3.468 9.922 -2.725 1.00 0.00 C ATOM 398 CD ARG A 29 3.555 11.323 -3.310 1.00 0.00 C ATOM 399 NE ARG A 29 3.156 11.356 -4.714 1.00 0.00 N ATOM 400 CZ ARG A 29 3.881 10.831 -5.696 1.00 0.00 C ATOM 401 NH1 ARG A 29 5.035 10.235 -5.427 1.00 0.00 N ATOM 402 NH2 ARG A 29 3.452 10.900 -6.950 1.00 0.00 N ATOM 0 H ARG A 29 2.621 8.143 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 29 5.055 7.841 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.796 10.233 -0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.244 10.353 -1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.791 9.195 -3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.430 9.691 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.917 11.996 -2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.576 11.693 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 29 2.273 11.806 -4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.368 10.179 -4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.590 9.833 -6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.565 11.357 -7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.010 10.497 -7.703 1.00 0.00 H new ATOM 416 N ARG A 30 5.479 8.913 1.087 1.00 0.00 N ATOM 417 CA ARG A 30 6.435 8.960 2.186 1.00 0.00 C ATOM 418 C ARG A 30 7.271 7.683 2.235 1.00 0.00 C ATOM 419 O ARG A 30 8.460 7.719 2.554 1.00 0.00 O ATOM 420 CB ARG A 30 5.706 9.156 3.517 1.00 0.00 C ATOM 421 CG ARG A 30 6.573 8.874 4.733 1.00 0.00 C ATOM 422 CD ARG A 30 6.101 9.660 5.947 1.00 0.00 C ATOM 423 NE ARG A 30 7.183 9.903 6.897 1.00 0.00 N ATOM 424 CZ ARG A 30 7.636 8.986 7.745 1.00 0.00 C ATOM 425 NH1 ARG A 30 7.103 7.772 7.761 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.625 9.283 8.579 1.00 0.00 N ATOM 0 H ARG A 30 4.590 9.374 1.281 1.00 0.00 H new ATOM 0 HA ARG A 30 7.103 9.805 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.339 10.181 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.834 8.503 3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.551 7.808 4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.608 9.132 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.684 10.613 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.299 9.113 6.443 1.00 0.00 H new ATOM 0 HE ARG A 30 7.615 10.827 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.343 7.540 7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.453 7.070 8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.038 10.216 8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.972 8.579 9.230 1.00 0.00 H new ATOM 440 N LEU A 31 6.641 6.558 1.917 1.00 0.00 N ATOM 441 CA LEU A 31 7.325 5.270 1.925 1.00 0.00 C ATOM 442 C LEU A 31 8.223 5.123 0.700 1.00 0.00 C ATOM 443 O LEU A 31 9.443 5.023 0.822 1.00 0.00 O ATOM 444 CB LEU A 31 6.306 4.129 1.964 1.00 0.00 C ATOM 445 CG LEU A 31 5.296 4.171 3.111 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.360 2.974 3.042 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.013 4.213 4.452 1.00 0.00 C ATOM 0 H LEU A 31 5.658 6.512 1.650 1.00 0.00 H new ATOM 0 HA LEU A 31 7.948 5.223 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.757 4.127 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.849 3.185 2.019 1.00 0.00 H new ATOM 0 HG LEU A 31 4.700 5.078 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.648 3.021 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.820 2.988 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.940 2.054 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.278 4.243 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.634 3.324 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.641 5.103 4.501 1.00 0.00 H new ATOM 459 N ALA A 32 7.609 5.111 -0.479 1.00 0.00 N ATOM 460 CA ALA A 32 8.353 4.981 -1.726 1.00 0.00 C ATOM 461 C ALA A 32 9.616 5.836 -1.704 1.00 0.00 C ATOM 462 O ALA A 32 10.716 5.344 -1.958 1.00 0.00 O ATOM 463 CB ALA A 32 7.474 5.364 -2.907 1.00 0.00 C ATOM 0 H ALA A 32 6.599 5.190 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 32 8.654 3.939 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.042 5.262 -3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.605 4.708 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.144 6.397 -2.795 1.00 0.00 H new ATOM 469 N LEU A 33 9.451 7.119 -1.399 1.00 0.00 N ATOM 470 CA LEU A 33 10.578 8.043 -1.344 1.00 0.00 C ATOM 471 C LEU A 33 11.678 7.507 -0.434 1.00 0.00 C ATOM 472 O LEU A 33 12.862 7.764 -0.656 1.00 0.00 O ATOM 473 CB LEU A 33 10.114 9.414 -0.849 1.00 0.00 C ATOM 474 CG LEU A 33 9.457 10.318 -1.893 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.477 10.772 -2.925 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.298 9.598 -2.567 1.00 0.00 C ATOM 0 H LEU A 33 8.548 7.542 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 33 10.983 8.144 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.408 9.263 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.975 9.938 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 33 9.066 11.201 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.991 11.414 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.274 11.326 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.899 9.901 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.842 10.256 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.666 8.698 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.555 9.324 -1.818 1.00 0.00 H new ATOM 488 N LYS A 34 11.281 6.759 0.589 1.00 0.00 N ATOM 489 CA LYS A 34 12.233 6.183 1.531 1.00 0.00 C ATOM 490 C LYS A 34 12.755 4.842 1.025 1.00 0.00 C ATOM 491 O LYS A 34 13.893 4.463 1.302 1.00 0.00 O ATOM 492 CB LYS A 34 11.578 6.002 2.903 1.00 0.00 C ATOM 493 CG LYS A 34 12.429 5.214 3.884 1.00 0.00 C ATOM 494 CD LYS A 34 11.576 4.533 4.941 1.00 0.00 C ATOM 495 CE LYS A 34 11.372 5.428 6.153 1.00 0.00 C ATOM 496 NZ LYS A 34 12.523 5.357 7.096 1.00 0.00 N ATOM 0 H LYS A 34 10.305 6.537 0.787 1.00 0.00 H new ATOM 0 HA LYS A 34 13.075 6.869 1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.365 6.983 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.622 5.495 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.008 4.465 3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.143 5.882 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.608 4.270 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.052 3.602 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.235 6.458 5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.459 5.135 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.345 5.981 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.639 4.379 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.390 5.661 6.609 1.00 0.00 H new ATOM 510 N PHE A 35 11.917 4.128 0.281 1.00 0.00 N ATOM 511 CA PHE A 35 12.295 2.830 -0.265 1.00 0.00 C ATOM 512 C PHE A 35 12.443 2.899 -1.782 1.00 0.00 C ATOM 513 O PHE A 35 12.153 1.934 -2.490 1.00 0.00 O ATOM 514 CB PHE A 35 11.254 1.773 0.109 1.00 0.00 C ATOM 515 CG PHE A 35 11.060 1.621 1.591 1.00 0.00 C ATOM 516 CD1 PHE A 35 12.022 0.997 2.369 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.915 2.102 2.206 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.846 0.856 3.733 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.734 1.964 3.569 1.00 0.00 C ATOM 520 CZ PHE A 35 10.700 1.340 4.333 1.00 0.00 C ATOM 0 H PHE A 35 10.971 4.427 0.042 1.00 0.00 H new ATOM 0 HA PHE A 35 13.257 2.551 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.300 2.036 -0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.556 0.813 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.920 0.616 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.156 2.590 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.603 0.368 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.838 2.344 4.036 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.560 1.231 5.398 1.00 0.00 H new ATOM 530 N HIS A 36 12.895 4.048 -2.275 1.00 0.00 N ATOM 531 CA HIS A 36 13.082 4.245 -3.708 1.00 0.00 C ATOM 532 C HIS A 36 14.444 3.723 -4.155 1.00 0.00 C ATOM 533 O HIS A 36 15.452 3.877 -3.465 1.00 0.00 O ATOM 534 CB HIS A 36 12.949 5.726 -4.062 1.00 0.00 C ATOM 535 CG HIS A 36 12.417 5.967 -5.441 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.229 6.203 -6.531 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.146 6.005 -5.906 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.480 6.378 -7.605 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.212 6.262 -7.253 1.00 0.00 N ATOM 0 H HIS A 36 13.139 4.857 -1.703 1.00 0.00 H new ATOM 0 HA HIS A 36 12.308 3.683 -4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.290 6.206 -3.338 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.925 6.202 -3.970 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.247 5.860 -5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.843 6.581 -8.602 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.412 6.349 -7.880 1.00 0.00 H new ATOM 547 N PRO A 37 14.477 3.091 -5.337 1.00 0.00 N ATOM 548 CA PRO A 37 15.709 2.533 -5.903 1.00 0.00 C ATOM 549 C PRO A 37 16.686 3.617 -6.344 1.00 0.00 C ATOM 550 O PRO A 37 17.902 3.427 -6.297 1.00 0.00 O ATOM 551 CB PRO A 37 15.215 1.734 -7.111 1.00 0.00 C ATOM 552 CG PRO A 37 13.931 2.383 -7.495 1.00 0.00 C ATOM 553 CD PRO A 37 13.314 2.871 -6.213 1.00 0.00 C ATOM 0 HA PRO A 37 16.258 1.935 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.935 1.767 -7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.068 0.684 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.102 3.209 -8.185 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.273 1.677 -8.001 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.746 3.789 -6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.627 2.136 -5.792 1.00 0.00 H new ATOM 561 N ASP A 38 16.148 4.753 -6.773 1.00 0.00 N ATOM 562 CA ASP A 38 16.973 5.869 -7.222 1.00 0.00 C ATOM 563 C ASP A 38 17.573 6.614 -6.034 1.00 0.00 C ATOM 564 O ASP A 38 18.682 7.142 -6.114 1.00 0.00 O ATOM 565 CB ASP A 38 16.147 6.830 -8.078 1.00 0.00 C ATOM 566 CG ASP A 38 16.964 8.001 -8.586 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.049 7.765 -9.158 1.00 0.00 O ATOM 568 OD2 ASP A 38 16.518 9.155 -8.413 1.00 0.00 O ATOM 0 H ASP A 38 15.144 4.926 -6.819 1.00 0.00 H new ATOM 0 HA ASP A 38 17.787 5.467 -7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.728 6.288 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.307 7.204 -7.492 1.00 0.00 H new ATOM 573 N LYS A 39 16.832 6.654 -4.932 1.00 0.00 N ATOM 574 CA LYS A 39 17.289 7.334 -3.726 1.00 0.00 C ATOM 575 C LYS A 39 18.038 6.372 -2.810 1.00 0.00 C ATOM 576 O LYS A 39 19.212 6.577 -2.506 1.00 0.00 O ATOM 577 CB LYS A 39 16.102 7.946 -2.979 1.00 0.00 C ATOM 578 CG LYS A 39 15.596 9.238 -3.596 1.00 0.00 C ATOM 579 CD LYS A 39 14.105 9.421 -3.363 1.00 0.00 C ATOM 580 CE LYS A 39 13.476 10.293 -4.439 1.00 0.00 C ATOM 581 NZ LYS A 39 13.059 9.496 -5.626 1.00 0.00 N ATOM 0 H LYS A 39 15.911 6.223 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 39 17.971 8.130 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.287 7.222 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.393 8.136 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.138 10.082 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.800 9.235 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.615 8.447 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.941 9.873 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.610 10.810 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.188 11.059 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.635 10.127 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.889 9.022 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.361 8.782 -5.337 1.00 0.00 H new ATOM 595 N ASN A 40 17.351 5.321 -2.374 1.00 0.00 N ATOM 596 CA ASN A 40 17.952 4.326 -1.493 1.00 0.00 C ATOM 597 C ASN A 40 19.144 3.653 -2.166 1.00 0.00 C ATOM 598 O ASN A 40 19.003 3.017 -3.211 1.00 0.00 O ATOM 599 CB ASN A 40 16.916 3.274 -1.095 1.00 0.00 C ATOM 600 CG ASN A 40 17.225 2.636 0.247 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.181 1.872 0.378 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.414 2.949 1.251 1.00 0.00 N ATOM 0 H ASN A 40 16.378 5.136 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 40 18.304 4.836 -0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.930 3.736 -1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.875 2.500 -1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.572 2.551 2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.633 3.587 1.096 1.00 0.00 H new ATOM 609 N HIS A 41 20.319 3.796 -1.560 1.00 0.00 N ATOM 610 CA HIS A 41 21.536 3.200 -2.100 1.00 0.00 C ATOM 611 C HIS A 41 21.723 1.779 -1.579 1.00 0.00 C ATOM 612 O HIS A 41 22.332 0.940 -2.241 1.00 0.00 O ATOM 613 CB HIS A 41 22.751 4.054 -1.736 1.00 0.00 C ATOM 614 CG HIS A 41 22.692 5.445 -2.287 1.00 0.00 C ATOM 615 ND1 HIS A 41 22.552 6.564 -1.492 1.00 0.00 N ATOM 616 CD2 HIS A 41 22.757 5.897 -3.561 1.00 0.00 C ATOM 617 CE1 HIS A 41 22.532 7.643 -2.254 1.00 0.00 C ATOM 618 NE2 HIS A 41 22.655 7.265 -3.514 1.00 0.00 N ATOM 0 H HIS A 41 20.454 4.319 -0.695 1.00 0.00 H new ATOM 0 HA HIS A 41 21.441 3.160 -3.185 1.00 0.00 H new ATOM 0 HB2 HIS A 41 22.837 4.105 -0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 41 23.652 3.564 -2.104 1.00 0.00 H new ATOM 0 HD2 HIS A 41 22.868 5.293 -4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 41 22.432 8.661 -1.906 1.00 0.00 H new ATOM 0 HE2 HIS A 41 22.671 7.889 -4.321 1.00 0.00 H new ATOM 626 N ALA A 42 21.196 1.517 -0.387 1.00 0.00 N ATOM 627 CA ALA A 42 21.304 0.197 0.222 1.00 0.00 C ATOM 628 C ALA A 42 20.163 -0.710 -0.227 1.00 0.00 C ATOM 629 O ALA A 42 19.029 -0.272 -0.419 1.00 0.00 O ATOM 630 CB ALA A 42 21.320 0.316 1.739 1.00 0.00 C ATOM 0 H ALA A 42 20.690 2.201 0.176 1.00 0.00 H new ATOM 0 HA ALA A 42 22.241 -0.252 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 42 21.401 -0.677 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.172 0.921 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.398 0.789 2.077 1.00 0.00 H new ATOM 636 N PRO A 43 20.469 -2.005 -0.399 1.00 0.00 N ATOM 637 CA PRO A 43 19.482 -3.000 -0.829 1.00 0.00 C ATOM 638 C PRO A 43 18.443 -3.288 0.249 1.00 0.00 C ATOM 639 O PRO A 43 18.488 -2.717 1.338 1.00 0.00 O ATOM 640 CB PRO A 43 20.330 -4.246 -1.100 1.00 0.00 C ATOM 641 CG PRO A 43 21.537 -4.075 -0.244 1.00 0.00 C ATOM 642 CD PRO A 43 21.800 -2.596 -0.188 1.00 0.00 C ATOM 0 HA PRO A 43 18.910 -2.660 -1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 43 19.789 -5.157 -0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.599 -4.321 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 43 21.368 -4.479 0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 43 22.391 -4.607 -0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.224 -2.299 0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.505 -2.284 -0.958 1.00 0.00 H new ATOM 650 N GLY A 44 17.506 -4.179 -0.061 1.00 0.00 N ATOM 651 CA GLY A 44 16.468 -4.528 0.892 1.00 0.00 C ATOM 652 C GLY A 44 15.384 -3.472 0.980 1.00 0.00 C ATOM 653 O GLY A 44 14.196 -3.788 0.935 1.00 0.00 O ATOM 0 H GLY A 44 17.447 -4.666 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.021 -5.480 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.915 -4.669 1.876 1.00 0.00 H new ATOM 657 N ALA A 45 15.794 -2.214 1.108 1.00 0.00 N ATOM 658 CA ALA A 45 14.849 -1.108 1.203 1.00 0.00 C ATOM 659 C ALA A 45 13.991 -1.011 -0.054 1.00 0.00 C ATOM 660 O ALA A 45 12.761 -1.021 0.019 1.00 0.00 O ATOM 661 CB ALA A 45 15.589 0.199 1.442 1.00 0.00 C ATOM 0 H ALA A 45 16.774 -1.936 1.148 1.00 0.00 H new ATOM 0 HA ALA A 45 14.188 -1.298 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.871 1.016 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.154 0.133 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.273 0.386 0.615 1.00 0.00 H new ATOM 667 N THR A 46 14.646 -0.916 -1.207 1.00 0.00 N ATOM 668 CA THR A 46 13.943 -0.814 -2.479 1.00 0.00 C ATOM 669 C THR A 46 13.051 -2.028 -2.713 1.00 0.00 C ATOM 670 O THR A 46 11.866 -1.890 -3.015 1.00 0.00 O ATOM 671 CB THR A 46 14.927 -0.680 -3.656 1.00 0.00 C ATOM 672 OG1 THR A 46 15.744 0.483 -3.481 1.00 0.00 O ATOM 673 CG2 THR A 46 14.181 -0.588 -4.978 1.00 0.00 C ATOM 0 H THR A 46 15.663 -0.908 -1.285 1.00 0.00 H new ATOM 0 HA THR A 46 13.326 0.083 -2.428 1.00 0.00 H new ATOM 0 HB THR A 46 15.559 -1.568 -3.675 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.664 0.280 -3.750 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.897 -0.494 -5.794 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.583 -1.488 -5.122 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.527 0.284 -4.967 1.00 0.00 H new ATOM 681 N GLU A 47 13.629 -3.217 -2.572 1.00 0.00 N ATOM 682 CA GLU A 47 12.885 -4.456 -2.768 1.00 0.00 C ATOM 683 C GLU A 47 11.532 -4.395 -2.065 1.00 0.00 C ATOM 684 O GLU A 47 10.548 -4.960 -2.540 1.00 0.00 O ATOM 685 CB GLU A 47 13.690 -5.648 -2.248 1.00 0.00 C ATOM 686 CG GLU A 47 14.840 -6.049 -3.156 1.00 0.00 C ATOM 687 CD GLU A 47 14.433 -7.078 -4.193 1.00 0.00 C ATOM 688 OE1 GLU A 47 13.921 -8.147 -3.800 1.00 0.00 O ATOM 689 OE2 GLU A 47 14.627 -6.814 -5.398 1.00 0.00 O ATOM 0 H GLU A 47 14.609 -3.348 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 47 12.714 -4.582 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.085 -5.406 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.022 -6.500 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.226 -5.163 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.653 -6.450 -2.551 1.00 0.00 H new ATOM 696 N ALA A 48 11.493 -3.706 -0.929 1.00 0.00 N ATOM 697 CA ALA A 48 10.262 -3.570 -0.160 1.00 0.00 C ATOM 698 C ALA A 48 9.238 -2.724 -0.909 1.00 0.00 C ATOM 699 O ALA A 48 8.044 -3.023 -0.898 1.00 0.00 O ATOM 700 CB ALA A 48 10.556 -2.963 1.203 1.00 0.00 C ATOM 0 H ALA A 48 12.300 -3.233 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 48 9.839 -4.564 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.628 -2.867 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.246 -3.608 1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.005 -1.978 1.074 1.00 0.00 H new ATOM 706 N PHE A 49 9.713 -1.667 -1.559 1.00 0.00 N ATOM 707 CA PHE A 49 8.837 -0.776 -2.312 1.00 0.00 C ATOM 708 C PHE A 49 7.898 -1.571 -3.214 1.00 0.00 C ATOM 709 O PHE A 49 6.683 -1.370 -3.196 1.00 0.00 O ATOM 710 CB PHE A 49 9.666 0.198 -3.152 1.00 0.00 C ATOM 711 CG PHE A 49 8.835 1.106 -4.012 1.00 0.00 C ATOM 712 CD1 PHE A 49 7.738 1.769 -3.485 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.149 1.295 -5.348 1.00 0.00 C ATOM 714 CE1 PHE A 49 6.971 2.605 -4.274 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.386 2.131 -6.142 1.00 0.00 C ATOM 716 CZ PHE A 49 7.295 2.785 -5.605 1.00 0.00 C ATOM 0 H PHE A 49 10.699 -1.406 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 49 8.236 -0.211 -1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.283 0.804 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.345 -0.370 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.480 1.631 -2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.999 0.784 -5.774 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.119 3.117 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.643 2.272 -7.181 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.696 3.436 -6.224 1.00 0.00 H new ATOM 726 N LYS A 50 8.469 -2.474 -4.003 1.00 0.00 N ATOM 727 CA LYS A 50 7.686 -3.301 -4.913 1.00 0.00 C ATOM 728 C LYS A 50 6.387 -3.754 -4.254 1.00 0.00 C ATOM 729 O LYS A 50 5.327 -3.745 -4.879 1.00 0.00 O ATOM 730 CB LYS A 50 8.498 -4.520 -5.355 1.00 0.00 C ATOM 731 CG LYS A 50 9.337 -4.275 -6.597 1.00 0.00 C ATOM 732 CD LYS A 50 8.494 -4.337 -7.860 1.00 0.00 C ATOM 733 CE LYS A 50 8.035 -5.757 -8.154 1.00 0.00 C ATOM 734 NZ LYS A 50 7.398 -5.867 -9.496 1.00 0.00 N ATOM 0 H LYS A 50 9.473 -2.652 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 50 7.439 -2.700 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.153 -4.825 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.817 -5.350 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.817 -3.299 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.132 -5.018 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.625 -3.688 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.071 -3.958 -8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.888 -6.433 -8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.327 -6.076 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.099 -6.850 -9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.569 -5.241 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.081 -5.587 -10.229 1.00 0.00 H new ATOM 748 N ALA A 51 6.477 -4.149 -2.988 1.00 0.00 N ATOM 749 CA ALA A 51 5.309 -4.602 -2.244 1.00 0.00 C ATOM 750 C ALA A 51 4.363 -3.443 -1.948 1.00 0.00 C ATOM 751 O ALA A 51 3.161 -3.531 -2.200 1.00 0.00 O ATOM 752 CB ALA A 51 5.737 -5.280 -0.951 1.00 0.00 C ATOM 0 H ALA A 51 7.347 -4.164 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 51 4.774 -5.325 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.854 -5.613 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.367 -6.139 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.297 -4.574 -0.338 1.00 0.00 H new ATOM 758 N ILE A 52 4.913 -2.359 -1.411 1.00 0.00 N ATOM 759 CA ILE A 52 4.118 -1.183 -1.082 1.00 0.00 C ATOM 760 C ILE A 52 3.145 -0.844 -2.206 1.00 0.00 C ATOM 761 O ILE A 52 1.933 -0.996 -2.060 1.00 0.00 O ATOM 762 CB ILE A 52 5.010 0.041 -0.804 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.147 -0.335 0.149 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.183 1.180 -0.228 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.902 0.859 0.690 1.00 0.00 C ATOM 0 H ILE A 52 5.906 -2.271 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 52 3.557 -1.425 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 52 5.446 0.375 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.737 -0.904 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.845 -0.990 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.828 2.038 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.406 1.461 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.721 0.858 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.693 0.517 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.341 1.417 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.217 1.504 1.239 1.00 0.00 H new ATOM 777 N GLY A 53 3.686 -0.386 -3.331 1.00 0.00 N ATOM 778 CA GLY A 53 2.852 -0.034 -4.466 1.00 0.00 C ATOM 779 C GLY A 53 1.686 -0.986 -4.645 1.00 0.00 C ATOM 780 O GLY A 53 0.529 -0.564 -4.680 1.00 0.00 O ATOM 0 H GLY A 53 4.687 -0.252 -3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.473 0.979 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.458 -0.032 -5.372 1.00 0.00 H new ATOM 784 N THR A 54 1.989 -2.275 -4.761 1.00 0.00 N ATOM 785 CA THR A 54 0.957 -3.289 -4.941 1.00 0.00 C ATOM 786 C THR A 54 -0.241 -3.021 -4.038 1.00 0.00 C ATOM 787 O THR A 54 -1.388 -3.217 -4.439 1.00 0.00 O ATOM 788 CB THR A 54 1.500 -4.701 -4.648 1.00 0.00 C ATOM 789 OG1 THR A 54 2.733 -4.906 -5.347 1.00 0.00 O ATOM 790 CG2 THR A 54 0.494 -5.764 -5.061 1.00 0.00 C ATOM 0 H THR A 54 2.940 -2.642 -4.734 1.00 0.00 H new ATOM 0 HA THR A 54 0.642 -3.237 -5.983 1.00 0.00 H new ATOM 0 HB THR A 54 1.673 -4.785 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.465 -4.488 -4.848 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.899 -6.752 -4.845 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.433 -5.623 -4.506 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.294 -5.680 -6.129 1.00 0.00 H new ATOM 798 N ALA A 55 0.032 -2.571 -2.817 1.00 0.00 N ATOM 799 CA ALA A 55 -1.024 -2.274 -1.859 1.00 0.00 C ATOM 800 C ALA A 55 -1.732 -0.969 -2.209 1.00 0.00 C ATOM 801 O ALA A 55 -2.953 -0.937 -2.368 1.00 0.00 O ATOM 802 CB ALA A 55 -0.454 -2.205 -0.450 1.00 0.00 C ATOM 0 H ALA A 55 0.976 -2.404 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.758 -3.079 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.254 -1.982 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.000 -3.162 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.301 -1.421 -0.401 1.00 0.00 H new ATOM 808 N TYR A 56 -0.959 0.104 -2.329 1.00 0.00 N ATOM 809 CA TYR A 56 -1.513 1.412 -2.658 1.00 0.00 C ATOM 810 C TYR A 56 -2.432 1.325 -3.873 1.00 0.00 C ATOM 811 O TYR A 56 -3.521 1.898 -3.884 1.00 0.00 O ATOM 812 CB TYR A 56 -0.388 2.413 -2.926 1.00 0.00 C ATOM 813 CG TYR A 56 -0.860 3.697 -3.569 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.516 4.670 -2.825 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.650 3.938 -4.922 1.00 0.00 C ATOM 816 CE1 TYR A 56 -1.950 5.844 -3.409 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.079 5.110 -5.514 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.729 6.060 -4.754 1.00 0.00 C ATOM 819 OH TYR A 56 -2.159 7.229 -5.339 1.00 0.00 O ATOM 0 H TYR A 56 0.053 0.094 -2.203 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.100 1.754 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.109 2.649 -1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.356 1.946 -3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.690 4.505 -1.772 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.143 3.196 -5.521 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.460 6.589 -2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.906 5.282 -6.566 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.924 7.224 -6.290 1.00 0.00 H new ATOM 829 N ALA A 57 -1.984 0.603 -4.894 1.00 0.00 N ATOM 830 CA ALA A 57 -2.765 0.437 -6.114 1.00 0.00 C ATOM 831 C ALA A 57 -4.151 -0.119 -5.806 1.00 0.00 C ATOM 832 O ALA A 57 -5.163 0.436 -6.234 1.00 0.00 O ATOM 833 CB ALA A 57 -2.034 -0.473 -7.089 1.00 0.00 C ATOM 0 H ALA A 57 -1.084 0.123 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.889 1.418 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.629 -0.588 -7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.069 -0.035 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.880 -1.449 -6.630 1.00 0.00 H new ATOM 839 N VAL A 58 -4.190 -1.220 -5.062 1.00 0.00 N ATOM 840 CA VAL A 58 -5.453 -1.852 -4.697 1.00 0.00 C ATOM 841 C VAL A 58 -6.431 -0.833 -4.124 1.00 0.00 C ATOM 842 O VAL A 58 -7.519 -0.629 -4.664 1.00 0.00 O ATOM 843 CB VAL A 58 -5.240 -2.978 -3.667 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.576 -3.522 -3.187 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.385 -4.087 -4.261 1.00 0.00 C ATOM 0 H VAL A 58 -3.362 -1.693 -4.700 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.869 -2.278 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.713 -2.566 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.406 -4.316 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.149 -2.720 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.133 -3.920 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.244 -4.874 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.882 -4.499 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.415 -3.683 -4.550 1.00 0.00 H new ATOM 855 N LEU A 59 -6.038 -0.194 -3.028 1.00 0.00 N ATOM 856 CA LEU A 59 -6.880 0.806 -2.381 1.00 0.00 C ATOM 857 C LEU A 59 -7.039 2.038 -3.265 1.00 0.00 C ATOM 858 O LEU A 59 -8.034 2.757 -3.172 1.00 0.00 O ATOM 859 CB LEU A 59 -6.285 1.206 -1.030 1.00 0.00 C ATOM 860 CG LEU A 59 -5.861 0.056 -0.116 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.242 0.593 1.165 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.049 -0.841 0.199 1.00 0.00 C ATOM 0 H LEU A 59 -5.141 -0.351 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.865 0.367 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.416 1.839 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.017 1.814 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.110 -0.539 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.946 -0.240 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.365 1.193 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.970 1.211 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.728 -1.654 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.822 -0.258 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.448 -1.254 -0.727 1.00 0.00 H new ATOM 874 N SER A 60 -6.053 2.276 -4.124 1.00 0.00 N ATOM 875 CA SER A 60 -6.082 3.422 -5.024 1.00 0.00 C ATOM 876 C SER A 60 -7.226 3.297 -6.026 1.00 0.00 C ATOM 877 O SER A 60 -7.874 4.284 -6.371 1.00 0.00 O ATOM 878 CB SER A 60 -4.750 3.549 -5.766 1.00 0.00 C ATOM 879 OG SER A 60 -4.841 4.492 -6.820 1.00 0.00 O ATOM 0 H SER A 60 -5.223 1.690 -4.215 1.00 0.00 H new ATOM 0 HA SER A 60 -6.243 4.319 -4.425 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.969 3.853 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.459 2.578 -6.167 1.00 0.00 H new ATOM 0 HG SER A 60 -3.977 4.556 -7.277 1.00 0.00 H new ATOM 885 N ASN A 61 -7.467 2.075 -6.490 1.00 0.00 N ATOM 886 CA ASN A 61 -8.531 1.819 -7.453 1.00 0.00 C ATOM 887 C ASN A 61 -9.851 1.536 -6.742 1.00 0.00 C ATOM 888 O ASN A 61 -9.898 0.863 -5.712 1.00 0.00 O ATOM 889 CB ASN A 61 -8.160 0.639 -8.353 1.00 0.00 C ATOM 890 CG ASN A 61 -8.811 0.728 -9.720 1.00 0.00 C ATOM 891 OD1 ASN A 61 -8.440 1.564 -10.544 1.00 0.00 O ATOM 892 ND2 ASN A 61 -9.789 -0.137 -9.966 1.00 0.00 N ATOM 0 H ASN A 61 -6.940 1.247 -6.214 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.653 2.711 -8.067 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.077 0.602 -8.471 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.460 -0.291 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.265 -0.125 -10.868 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.063 -0.813 -9.253 1.00 0.00 H new ATOM 899 N PRO A 62 -10.950 2.060 -7.304 1.00 0.00 N ATOM 900 CA PRO A 62 -12.292 1.875 -6.742 1.00 0.00 C ATOM 901 C PRO A 62 -12.786 0.440 -6.881 1.00 0.00 C ATOM 902 O PRO A 62 -13.619 -0.018 -6.099 1.00 0.00 O ATOM 903 CB PRO A 62 -13.159 2.822 -7.576 1.00 0.00 C ATOM 904 CG PRO A 62 -12.432 2.963 -8.868 1.00 0.00 C ATOM 905 CD PRO A 62 -10.969 2.872 -8.532 1.00 0.00 C ATOM 0 HA PRO A 62 -12.318 2.082 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.158 2.414 -7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.279 3.786 -7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.722 2.178 -9.566 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.664 3.915 -9.345 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.401 2.400 -9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.532 3.857 -8.369 1.00 0.00 H new ATOM 913 N GLU A 63 -12.267 -0.266 -7.881 1.00 0.00 N ATOM 914 CA GLU A 63 -12.658 -1.650 -8.121 1.00 0.00 C ATOM 915 C GLU A 63 -11.855 -2.603 -7.240 1.00 0.00 C ATOM 916 O GLU A 63 -12.388 -3.581 -6.716 1.00 0.00 O ATOM 917 CB GLU A 63 -12.458 -2.012 -9.595 1.00 0.00 C ATOM 918 CG GLU A 63 -13.431 -3.063 -10.101 1.00 0.00 C ATOM 919 CD GLU A 63 -13.039 -3.616 -11.457 1.00 0.00 C ATOM 920 OE1 GLU A 63 -12.176 -4.518 -11.504 1.00 0.00 O ATOM 921 OE2 GLU A 63 -13.596 -3.148 -12.472 1.00 0.00 O ATOM 0 H GLU A 63 -11.576 0.097 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.714 -1.751 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.563 -1.111 -10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.440 -2.374 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.484 -3.880 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.429 -2.629 -10.165 1.00 0.00 H new ATOM 928 N LYS A 64 -10.569 -2.310 -7.081 1.00 0.00 N ATOM 929 CA LYS A 64 -9.690 -3.138 -6.263 1.00 0.00 C ATOM 930 C LYS A 64 -9.860 -2.814 -4.782 1.00 0.00 C ATOM 931 O LYS A 64 -9.495 -3.610 -3.917 1.00 0.00 O ATOM 932 CB LYS A 64 -8.231 -2.932 -6.677 1.00 0.00 C ATOM 933 CG LYS A 64 -7.994 -3.088 -8.169 1.00 0.00 C ATOM 934 CD LYS A 64 -6.511 -3.107 -8.499 1.00 0.00 C ATOM 935 CE LYS A 64 -6.258 -3.659 -9.894 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.640 -5.094 -10.000 1.00 0.00 N ATOM 0 H LYS A 64 -10.112 -1.505 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.963 -4.181 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.912 -1.936 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.606 -3.647 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.457 -4.011 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.476 -2.269 -8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.108 -2.097 -8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.981 -3.714 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.823 -3.078 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.203 -3.544 -10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.120 -5.534 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.405 -5.582 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.662 -5.169 -10.176 1.00 0.00 H new ATOM 950 N ARG A 65 -10.418 -1.641 -4.498 1.00 0.00 N ATOM 951 CA ARG A 65 -10.636 -1.213 -3.122 1.00 0.00 C ATOM 952 C ARG A 65 -11.929 -1.805 -2.567 1.00 0.00 C ATOM 953 O ARG A 65 -11.949 -2.363 -1.470 1.00 0.00 O ATOM 954 CB ARG A 65 -10.686 0.314 -3.042 1.00 0.00 C ATOM 955 CG ARG A 65 -11.080 0.840 -1.671 1.00 0.00 C ATOM 956 CD ARG A 65 -11.109 2.360 -1.645 1.00 0.00 C ATOM 957 NE ARG A 65 -11.432 2.878 -0.319 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.671 2.964 0.155 1.00 0.00 C ATOM 959 NH1 ARG A 65 -13.696 2.566 -0.585 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.884 3.447 1.373 1.00 0.00 N ATOM 0 H ARG A 65 -10.727 -0.971 -5.202 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.803 -1.574 -2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.708 0.715 -3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.395 0.685 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.062 0.452 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.375 0.476 -0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.139 2.747 -1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.844 2.721 -2.364 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.665 3.191 0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.535 2.193 -1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.646 2.633 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.097 3.752 1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.835 3.513 1.736 1.00 0.00 H new ATOM 974 N LYS A 66 -13.008 -1.678 -3.332 1.00 0.00 N ATOM 975 CA LYS A 66 -14.305 -2.199 -2.919 1.00 0.00 C ATOM 976 C LYS A 66 -14.209 -3.681 -2.568 1.00 0.00 C ATOM 977 O LYS A 66 -14.752 -4.123 -1.556 1.00 0.00 O ATOM 978 CB LYS A 66 -15.338 -1.994 -4.030 1.00 0.00 C ATOM 979 CG LYS A 66 -15.072 -2.832 -5.269 1.00 0.00 C ATOM 980 CD LYS A 66 -16.170 -2.657 -6.306 1.00 0.00 C ATOM 981 CE LYS A 66 -17.425 -3.426 -5.923 1.00 0.00 C ATOM 982 NZ LYS A 66 -17.209 -4.899 -5.972 1.00 0.00 N ATOM 0 H LYS A 66 -13.009 -1.218 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.622 -1.652 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.328 -2.236 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.354 -0.941 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.113 -2.549 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.998 -3.883 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.408 -1.598 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.813 -3.001 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.735 -3.138 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.237 -3.155 -6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.128 -5.383 -6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.642 -5.139 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.706 -5.205 -5.115 1.00 0.00 H new ATOM 996 N GLN A 67 -13.514 -4.440 -3.408 1.00 0.00 N ATOM 997 CA GLN A 67 -13.346 -5.871 -3.184 1.00 0.00 C ATOM 998 C GLN A 67 -12.560 -6.133 -1.904 1.00 0.00 C ATOM 999 O GLN A 67 -12.814 -7.108 -1.197 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.635 -6.515 -4.375 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.188 -6.075 -4.530 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.373 -7.038 -5.371 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -9.870 -8.045 -4.872 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -10.237 -6.733 -6.656 1.00 0.00 N ATOM 0 H GLN A 67 -13.058 -4.088 -4.250 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.336 -6.315 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.667 -7.599 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.180 -6.272 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.160 -5.086 -4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.732 -5.984 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.671 -5.888 -7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.699 -7.343 -7.271 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.604 -5.258 -1.613 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.778 -5.396 -0.420 1.00 0.00 C ATOM 1015 C TYR A 68 -11.554 -4.990 0.830 1.00 0.00 C ATOM 1016 O TYR A 68 -11.334 -5.531 1.914 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.513 -4.546 -0.548 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.524 -4.760 0.575 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.941 -6.003 0.786 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.172 -3.719 1.426 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -7.036 -6.204 1.811 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.268 -3.910 2.453 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.703 -5.154 2.641 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.803 -5.349 3.664 1.00 0.00 O ATOM 0 H TYR A 68 -11.382 -4.445 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.494 -6.444 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.027 -4.773 -1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.794 -3.493 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.200 -6.827 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.613 -2.744 1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.592 -7.177 1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.005 -3.090 3.105 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.825 -6.288 3.945 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.462 -4.034 0.669 1.00 0.00 N ATOM 1035 CA ASP A 69 -13.273 -3.554 1.783 1.00 0.00 C ATOM 1036 C ASP A 69 -14.405 -4.529 2.089 1.00 0.00 C ATOM 1037 O ASP A 69 -14.730 -4.771 3.252 1.00 0.00 O ATOM 1038 CB ASP A 69 -13.845 -2.172 1.466 1.00 0.00 C ATOM 1039 CG ASP A 69 -12.884 -1.053 1.818 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -11.993 -0.757 0.995 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -13.022 -0.474 2.916 1.00 0.00 O ATOM 0 H ASP A 69 -12.655 -3.576 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.633 -3.480 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.089 -2.117 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.777 -2.033 2.015 1.00 0.00 H new ATOM 1046 N GLN A 70 -15.002 -5.085 1.040 1.00 0.00 N ATOM 1047 CA GLN A 70 -16.099 -6.032 1.198 1.00 0.00 C ATOM 1048 C GLN A 70 -15.596 -7.360 1.753 1.00 0.00 C ATOM 1049 O GLN A 70 -16.146 -7.889 2.719 1.00 0.00 O ATOM 1050 CB GLN A 70 -16.802 -6.259 -0.142 1.00 0.00 C ATOM 1051 CG GLN A 70 -17.731 -5.125 -0.541 1.00 0.00 C ATOM 1052 CD GLN A 70 -18.618 -4.667 0.600 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -19.691 -5.225 0.829 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -18.173 -3.647 1.323 1.00 0.00 N ATOM 0 H GLN A 70 -14.744 -4.896 0.071 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.811 -5.609 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.050 -6.392 -0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.374 -7.185 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.138 -4.282 -0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.355 -5.448 -1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.277 -3.214 1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.727 -3.296 2.104 1.00 0.00 H new ATOM 1063 N PHE A 71 -14.547 -7.895 1.137 1.00 0.00 N ATOM 1064 CA PHE A 71 -13.970 -9.162 1.569 1.00 0.00 C ATOM 1065 C PHE A 71 -12.565 -8.958 2.127 1.00 0.00 C ATOM 1066 O PHE A 71 -12.327 -9.139 3.321 1.00 0.00 O ATOM 1067 CB PHE A 71 -13.929 -10.152 0.403 1.00 0.00 C ATOM 1068 CG PHE A 71 -15.268 -10.749 0.076 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -16.162 -10.074 -0.740 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -15.633 -11.985 0.585 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -17.394 -10.621 -1.043 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -16.864 -12.536 0.285 1.00 0.00 C ATOM 1073 CZ PHE A 71 -17.747 -11.853 -0.529 1.00 0.00 C ATOM 0 H PHE A 71 -14.079 -7.470 0.336 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.600 -9.568 2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -13.541 -9.645 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -13.231 -10.954 0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -15.893 -9.109 -1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -14.948 -12.523 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -18.081 -10.085 -1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.136 -13.501 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 71 -18.710 -12.281 -0.763 1.00 0.00 H new ATOM 1083 N GLY A 72 -11.636 -8.580 1.254 1.00 0.00 N ATOM 1084 CA GLY A 72 -10.266 -8.359 1.677 1.00 0.00 C ATOM 1085 C GLY A 72 -9.306 -9.375 1.090 1.00 0.00 C ATOM 1086 O GLY A 72 -9.485 -9.828 -0.040 1.00 0.00 O ATOM 0 H GLY A 72 -11.808 -8.423 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.955 -7.357 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.214 -8.401 2.765 1.00 0.00 H new ATOM 1090 N SER A 73 -8.284 -9.733 1.860 1.00 0.00 N ATOM 1091 CA SER A 73 -7.288 -10.699 1.408 1.00 0.00 C ATOM 1092 C SER A 73 -7.001 -11.732 2.494 1.00 0.00 C ATOM 1093 O SER A 73 -7.210 -11.477 3.679 1.00 0.00 O ATOM 1094 CB SER A 73 -5.995 -9.983 1.014 1.00 0.00 C ATOM 1095 OG SER A 73 -6.157 -9.266 -0.197 1.00 0.00 O ATOM 0 H SER A 73 -8.123 -9.369 2.799 1.00 0.00 H new ATOM 0 HA SER A 73 -7.688 -11.216 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.698 -9.298 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.191 -10.711 0.904 1.00 0.00 H new ATOM 0 HG SER A 73 -5.317 -8.816 -0.426 1.00 0.00 H new ATOM 1101 N GLY A 74 -6.521 -12.900 2.079 1.00 0.00 N ATOM 1102 CA GLY A 74 -6.213 -13.955 3.027 1.00 0.00 C ATOM 1103 C GLY A 74 -4.817 -14.515 2.837 1.00 0.00 C ATOM 1104 O GLY A 74 -4.116 -14.182 1.882 1.00 0.00 O ATOM 0 H GLY A 74 -6.340 -13.135 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.311 -13.568 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.941 -14.759 2.921 1.00 0.00 H new ATOM 1108 N PRO A 75 -4.395 -15.388 3.763 1.00 0.00 N ATOM 1109 CA PRO A 75 -3.070 -16.014 3.716 1.00 0.00 C ATOM 1110 C PRO A 75 -2.943 -17.016 2.574 1.00 0.00 C ATOM 1111 O PRO A 75 -3.381 -18.160 2.688 1.00 0.00 O ATOM 1112 CB PRO A 75 -2.966 -16.727 5.067 1.00 0.00 C ATOM 1113 CG PRO A 75 -4.377 -16.984 5.469 1.00 0.00 C ATOM 1114 CD PRO A 75 -5.178 -15.831 4.929 1.00 0.00 C ATOM 0 HA PRO A 75 -2.280 -15.283 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.403 -17.656 4.982 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.451 -16.109 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.732 -17.931 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.468 -17.049 6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.184 -16.139 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.285 -15.036 5.667 1.00 0.00 H new ATOM 1122 N SER A 76 -2.340 -16.578 1.473 1.00 0.00 N ATOM 1123 CA SER A 76 -2.158 -17.436 0.308 1.00 0.00 C ATOM 1124 C SER A 76 -1.292 -18.643 0.653 1.00 0.00 C ATOM 1125 O SER A 76 -0.382 -18.553 1.477 1.00 0.00 O ATOM 1126 CB SER A 76 -1.522 -16.647 -0.838 1.00 0.00 C ATOM 1127 OG SER A 76 -1.891 -17.187 -2.095 1.00 0.00 O ATOM 0 H SER A 76 -1.969 -15.634 1.364 1.00 0.00 H new ATOM 0 HA SER A 76 -3.138 -17.793 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.832 -15.604 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.437 -16.663 -0.736 1.00 0.00 H new ATOM 0 HG SER A 76 -1.473 -16.664 -2.811 1.00 0.00 H new ATOM 1133 N SER A 77 -1.582 -19.773 0.015 1.00 0.00 N ATOM 1134 CA SER A 77 -0.832 -21.000 0.256 1.00 0.00 C ATOM 1135 C SER A 77 -0.483 -21.690 -1.059 1.00 0.00 C ATOM 1136 O SER A 77 -1.292 -21.735 -1.984 1.00 0.00 O ATOM 1137 CB SER A 77 -1.639 -21.950 1.144 1.00 0.00 C ATOM 1138 OG SER A 77 -1.661 -21.496 2.487 1.00 0.00 O ATOM 0 H SER A 77 -2.330 -19.864 -0.672 1.00 0.00 H new ATOM 0 HA SER A 77 0.095 -20.736 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.658 -22.028 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.206 -22.949 1.101 1.00 0.00 H new ATOM 0 HG SER A 77 -2.184 -22.118 3.034 1.00 0.00 H new ATOM 1144 N GLY A 78 0.731 -22.228 -1.134 1.00 0.00 N ATOM 1145 CA GLY A 78 1.168 -22.908 -2.338 1.00 0.00 C ATOM 1146 C GLY A 78 1.384 -24.393 -2.120 1.00 0.00 C ATOM 1147 O GLY A 78 0.806 -25.221 -2.824 1.00 0.00 O ATOM 0 H GLY A 78 1.419 -22.205 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.426 -22.763 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.096 -22.457 -2.690 1.00 0.00 H new TER 1151 GLY A 78