USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 397 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 18 MET CE :methyl -148:sc= -3.75! (180deg=-2.96!) USER MOD Set 1.2: A 21 MET CE :methyl -178:sc= -4.13 (180deg=-4.21) USER MOD Single : A 1 GLY N :NH3+ -126:sc= -0.438 (180deg=-2.06!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -100:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.865 K(o=-0.87,f=-1.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.035 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 36 THR OG1 : rot 73:sc= 0.869 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc=-0.00317 X(o=-0.0032,f=0.23) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -130:sc= -0.874 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.113 -0.493 -7.513 1.00 73.31 N ATOM 2 CA GLY A 1 2.078 0.580 -7.361 1.00 74.11 C ATOM 3 C GLY A 1 3.478 0.067 -7.089 1.00 73.40 C ATOM 4 O GLY A 1 4.359 0.119 -7.947 1.00 72.24 O ATOM 0 H1 GLY A 1 0.609 -0.381 -8.416 1.00 73.31 H new ATOM 0 H2 GLY A 1 1.607 -1.408 -7.503 1.00 73.31 H new ATOM 0 H3 GLY A 1 0.430 -0.459 -6.729 1.00 73.31 H new ATOM 0 HA2 GLY A 1 2.087 1.188 -8.266 1.00 74.11 H new ATOM 0 HA3 GLY A 1 1.768 1.230 -6.543 1.00 74.11 H new ATOM 8 N PRO A 2 3.699 -0.442 -5.868 1.00 12.13 N ATOM 9 CA PRO A 2 5.001 -0.975 -5.456 1.00 73.42 C ATOM 10 C PRO A 2 5.344 -2.279 -6.169 1.00 23.24 C ATOM 11 O PRO A 2 4.576 -2.765 -7.000 1.00 24.41 O ATOM 12 CB PRO A 2 4.827 -1.216 -3.955 1.00 32.34 C ATOM 13 CG PRO A 2 3.361 -1.411 -3.769 1.00 44.34 C ATOM 14 CD PRO A 2 2.695 -0.536 -4.795 1.00 13.23 C ATOM 0 HA PRO A 2 5.816 -0.294 -5.700 1.00 73.42 H new ATOM 0 HB2 PRO A 2 5.387 -2.092 -3.627 1.00 32.34 H new ATOM 0 HB3 PRO A 2 5.190 -0.369 -3.373 1.00 32.34 H new ATOM 0 HG2 PRO A 2 3.085 -2.456 -3.909 1.00 44.34 H new ATOM 0 HG3 PRO A 2 3.055 -1.133 -2.761 1.00 44.34 H new ATOM 0 HD2 PRO A 2 1.764 -0.975 -5.154 1.00 13.23 H new ATOM 0 HD3 PRO A 2 2.449 0.445 -4.388 1.00 13.23 H new ATOM 22 N LEU A 3 6.502 -2.841 -5.838 1.00 34.21 N ATOM 23 CA LEU A 3 6.947 -4.090 -6.446 1.00 60.20 C ATOM 24 C LEU A 3 7.160 -5.166 -5.386 1.00 72.42 C ATOM 25 O LEU A 3 8.171 -5.170 -4.685 1.00 74.30 O ATOM 26 CB LEU A 3 8.242 -3.866 -7.229 1.00 1.03 C ATOM 27 CG LEU A 3 8.659 -4.993 -8.174 1.00 20.43 C ATOM 28 CD1 LEU A 3 7.944 -4.862 -9.510 1.00 21.04 C ATOM 29 CD2 LEU A 3 10.168 -4.993 -8.372 1.00 12.32 C ATOM 0 H LEU A 3 7.149 -2.452 -5.152 1.00 34.21 H new ATOM 0 HA LEU A 3 6.170 -4.429 -7.131 1.00 60.20 H new ATOM 0 HB2 LEU A 3 8.137 -2.951 -7.812 1.00 1.03 H new ATOM 0 HB3 LEU A 3 9.050 -3.699 -6.516 1.00 1.03 H new ATOM 0 HG LEU A 3 8.372 -5.943 -7.724 1.00 20.43 H new ATOM 0 HD11 LEU A 3 8.254 -5.673 -10.169 1.00 21.04 H new ATOM 0 HD12 LEU A 3 6.867 -4.913 -9.353 1.00 21.04 H new ATOM 0 HD13 LEU A 3 8.199 -3.906 -9.967 1.00 21.04 H new ATOM 0 HD21 LEU A 3 10.446 -5.802 -9.047 1.00 12.32 H new ATOM 0 HD22 LEU A 3 10.479 -4.040 -8.800 1.00 12.32 H new ATOM 0 HD23 LEU A 3 10.661 -5.137 -7.411 1.00 12.32 H new ATOM 41 N GLY A 4 6.200 -6.080 -5.277 1.00 21.22 N ATOM 42 CA GLY A 4 6.302 -7.150 -4.302 1.00 24.31 C ATOM 43 C GLY A 4 4.972 -7.832 -4.047 1.00 45.33 C ATOM 44 O GLY A 4 4.328 -7.588 -3.027 1.00 72.33 O ATOM 0 H GLY A 4 5.354 -6.098 -5.846 1.00 21.22 H new ATOM 0 HA2 GLY A 4 7.024 -7.888 -4.652 1.00 24.31 H new ATOM 0 HA3 GLY A 4 6.686 -6.748 -3.365 1.00 24.31 H new ATOM 48 N SER A 5 4.560 -8.687 -4.978 1.00 12.25 N ATOM 49 CA SER A 5 3.295 -9.401 -4.852 1.00 30.54 C ATOM 50 C SER A 5 3.471 -10.678 -4.036 1.00 24.44 C ATOM 51 O SER A 5 4.518 -11.323 -4.091 1.00 42.21 O ATOM 52 CB SER A 5 2.736 -9.740 -6.235 1.00 43.01 C ATOM 53 OG SER A 5 1.491 -9.100 -6.453 1.00 12.03 O ATOM 0 H SER A 5 5.083 -8.902 -5.827 1.00 12.25 H new ATOM 0 HA SER A 5 2.590 -8.752 -4.332 1.00 30.54 H new ATOM 0 HB2 SER A 5 3.446 -9.432 -7.003 1.00 43.01 H new ATOM 0 HB3 SER A 5 2.615 -10.819 -6.327 1.00 43.01 H new ATOM 0 HG SER A 5 1.156 -9.331 -7.344 1.00 12.03 H new ATOM 59 N GLU A 6 2.439 -11.037 -3.278 1.00 41.25 N ATOM 60 CA GLU A 6 2.480 -12.236 -2.450 1.00 23.10 C ATOM 61 C GLU A 6 1.577 -13.324 -3.023 1.00 33.33 C ATOM 62 O GLU A 6 1.032 -13.181 -4.117 1.00 31.21 O ATOM 63 CB GLU A 6 2.056 -11.908 -1.017 1.00 2.30 C ATOM 64 CG GLU A 6 2.942 -12.545 0.041 1.00 55.31 C ATOM 65 CD GLU A 6 3.691 -11.519 0.869 1.00 31.12 C ATOM 66 OE1 GLU A 6 4.237 -10.564 0.278 1.00 70.23 O ATOM 67 OE2 GLU A 6 3.732 -11.671 2.108 1.00 73.12 O ATOM 0 H GLU A 6 1.565 -10.514 -3.221 1.00 41.25 H new ATOM 0 HA GLU A 6 3.505 -12.606 -2.442 1.00 23.10 H new ATOM 0 HB2 GLU A 6 2.065 -10.826 -0.883 1.00 2.30 H new ATOM 0 HB3 GLU A 6 1.029 -12.239 -0.866 1.00 2.30 H new ATOM 0 HG2 GLU A 6 2.330 -13.161 0.700 1.00 55.31 H new ATOM 0 HG3 GLU A 6 3.658 -13.210 -0.442 1.00 55.31 H new ATOM 74 N ALA A 7 1.423 -14.412 -2.275 1.00 25.21 N ATOM 75 CA ALA A 7 0.586 -15.524 -2.706 1.00 74.15 C ATOM 76 C ALA A 7 0.039 -16.296 -1.510 1.00 63.35 C ATOM 77 O ALA A 7 0.257 -15.914 -0.361 1.00 15.34 O ATOM 78 CB ALA A 7 1.370 -16.452 -3.622 1.00 43.33 C ATOM 0 H ALA A 7 1.868 -14.546 -1.367 1.00 25.21 H new ATOM 0 HA ALA A 7 -0.260 -15.116 -3.259 1.00 74.15 H new ATOM 0 HB1 ALA A 7 0.732 -17.278 -3.936 1.00 43.33 H new ATOM 0 HB2 ALA A 7 1.706 -15.899 -4.499 1.00 43.33 H new ATOM 0 HB3 ALA A 7 2.235 -16.845 -3.088 1.00 43.33 H new ATOM 84 N ASP A 8 -0.671 -17.384 -1.789 1.00 1.11 N ATOM 85 CA ASP A 8 -1.248 -18.210 -0.735 1.00 74.43 C ATOM 86 C ASP A 8 -0.812 -19.665 -0.885 1.00 14.40 C ATOM 87 O ASP A 8 -0.388 -20.104 -1.954 1.00 24.13 O ATOM 88 CB ASP A 8 -2.775 -18.117 -0.763 1.00 63.14 C ATOM 89 CG ASP A 8 -3.333 -17.396 0.448 1.00 71.04 C ATOM 90 OD1 ASP A 8 -2.648 -16.490 0.967 1.00 11.02 O ATOM 91 OD2 ASP A 8 -4.456 -17.737 0.875 1.00 25.03 O ATOM 0 H ASP A 8 -0.861 -17.714 -2.735 1.00 1.11 H new ATOM 0 HA ASP A 8 -0.886 -17.838 0.224 1.00 74.43 H new ATOM 0 HB2 ASP A 8 -3.088 -17.597 -1.668 1.00 63.14 H new ATOM 0 HB3 ASP A 8 -3.197 -19.121 -0.811 1.00 63.14 H new ATOM 96 N PRO A 9 -0.918 -20.430 0.211 1.00 31.23 N ATOM 97 CA PRO A 9 -0.539 -21.846 0.227 1.00 32.24 C ATOM 98 C PRO A 9 -1.494 -22.711 -0.588 1.00 70.22 C ATOM 99 O PRO A 9 -1.089 -23.712 -1.180 1.00 5.23 O ATOM 100 CB PRO A 9 -0.616 -22.217 1.711 1.00 71.15 C ATOM 101 CG PRO A 9 -1.589 -21.251 2.293 1.00 42.43 C ATOM 102 CD PRO A 9 -1.416 -19.973 1.519 1.00 12.33 C ATOM 0 HA PRO A 9 0.443 -22.010 -0.217 1.00 32.24 H new ATOM 0 HB2 PRO A 9 -0.951 -23.246 1.845 1.00 71.15 H new ATOM 0 HB3 PRO A 9 0.359 -22.134 2.191 1.00 71.15 H new ATOM 0 HG2 PRO A 9 -2.609 -21.625 2.207 1.00 42.43 H new ATOM 0 HG3 PRO A 9 -1.396 -21.094 3.354 1.00 42.43 H new ATOM 0 HD2 PRO A 9 -2.357 -19.431 1.423 1.00 12.33 H new ATOM 0 HD3 PRO A 9 -0.709 -19.301 2.006 1.00 12.33 H new ATOM 110 N ARG A 10 -2.764 -22.319 -0.616 1.00 5.13 N ATOM 111 CA ARG A 10 -3.776 -23.059 -1.359 1.00 31.45 C ATOM 112 C ARG A 10 -3.897 -22.533 -2.786 1.00 24.22 C ATOM 113 O ARG A 10 -4.836 -22.873 -3.507 1.00 3.10 O ATOM 114 CB ARG A 10 -5.130 -22.963 -0.652 1.00 64.21 C ATOM 115 CG ARG A 10 -5.415 -24.130 0.279 1.00 2.03 C ATOM 116 CD ARG A 10 -4.753 -23.936 1.634 1.00 5.23 C ATOM 117 NE ARG A 10 -5.557 -24.488 2.721 1.00 62.41 N ATOM 118 CZ ARG A 10 -5.110 -24.638 3.963 1.00 74.20 C ATOM 119 NH1 ARG A 10 -3.873 -24.278 4.274 1.00 21.11 N ATOM 120 NH2 ARG A 10 -5.903 -25.149 4.897 1.00 44.20 N ATOM 0 H ARG A 10 -3.116 -21.493 -0.132 1.00 5.13 H new ATOM 0 HA ARG A 10 -3.468 -24.104 -1.401 1.00 31.45 H new ATOM 0 HB2 ARG A 10 -5.167 -22.036 -0.080 1.00 64.21 H new ATOM 0 HB3 ARG A 10 -5.919 -22.907 -1.402 1.00 64.21 H new ATOM 0 HG2 ARG A 10 -6.492 -24.237 0.411 1.00 2.03 H new ATOM 0 HG3 ARG A 10 -5.056 -25.054 -0.174 1.00 2.03 H new ATOM 0 HD2 ARG A 10 -3.773 -24.413 1.630 1.00 5.23 H new ATOM 0 HD3 ARG A 10 -4.589 -22.873 1.808 1.00 5.23 H new ATOM 0 HE ARG A 10 -6.514 -24.774 2.515 1.00 62.41 H new ATOM 0 HH11 ARG A 10 -3.261 -23.885 3.559 1.00 21.11 H new ATOM 0 HH12 ARG A 10 -3.533 -24.394 5.228 1.00 21.11 H new ATOM 0 HH21 ARG A 10 -6.856 -25.427 4.661 1.00 44.20 H new ATOM 0 HH22 ARG A 10 -5.560 -25.264 5.851 1.00 44.20 H new ATOM 134 N LEU A 11 -2.941 -21.702 -3.187 1.00 30.21 N ATOM 135 CA LEU A 11 -2.940 -21.128 -4.528 1.00 63.10 C ATOM 136 C LEU A 11 -1.677 -21.523 -5.288 1.00 54.40 C ATOM 137 O LEU A 11 -1.745 -21.971 -6.433 1.00 32.32 O ATOM 138 CB LEU A 11 -3.048 -19.604 -4.452 1.00 25.12 C ATOM 139 CG LEU A 11 -2.859 -18.851 -5.769 1.00 64.22 C ATOM 140 CD1 LEU A 11 -4.042 -19.088 -6.694 1.00 74.20 C ATOM 141 CD2 LEU A 11 -2.671 -17.363 -5.511 1.00 22.31 C ATOM 0 H LEU A 11 -2.157 -21.411 -2.603 1.00 30.21 H new ATOM 0 HA LEU A 11 -3.803 -21.521 -5.066 1.00 63.10 H new ATOM 0 HB2 LEU A 11 -4.028 -19.349 -4.048 1.00 25.12 H new ATOM 0 HB3 LEU A 11 -2.306 -19.242 -3.740 1.00 25.12 H new ATOM 0 HG LEU A 11 -1.961 -19.231 -6.256 1.00 64.22 H new ATOM 0 HD11 LEU A 11 -3.890 -18.544 -7.626 1.00 74.20 H new ATOM 0 HD12 LEU A 11 -4.130 -20.154 -6.906 1.00 74.20 H new ATOM 0 HD13 LEU A 11 -4.955 -18.736 -6.214 1.00 74.20 H new ATOM 0 HD21 LEU A 11 -2.538 -16.843 -6.460 1.00 22.31 H new ATOM 0 HD22 LEU A 11 -3.550 -16.968 -5.001 1.00 22.31 H new ATOM 0 HD23 LEU A 11 -1.790 -17.210 -4.887 1.00 22.31 H new ATOM 153 N ILE A 12 -0.528 -21.354 -4.643 1.00 60.32 N ATOM 154 CA ILE A 12 0.749 -21.696 -5.257 1.00 60.13 C ATOM 155 C ILE A 12 0.744 -23.131 -5.774 1.00 1.20 C ATOM 156 O ILE A 12 1.427 -23.453 -6.745 1.00 45.02 O ATOM 157 CB ILE A 12 1.915 -21.523 -4.266 1.00 33.53 C ATOM 158 CG1 ILE A 12 1.721 -22.436 -3.053 1.00 72.21 C ATOM 159 CG2 ILE A 12 2.028 -20.070 -3.829 1.00 70.52 C ATOM 160 CD1 ILE A 12 2.437 -23.763 -3.175 1.00 3.24 C ATOM 0 H ILE A 12 -0.455 -20.983 -3.696 1.00 60.32 H new ATOM 0 HA ILE A 12 0.890 -21.012 -6.094 1.00 60.13 H new ATOM 0 HB ILE A 12 2.842 -21.805 -4.765 1.00 33.53 H new ATOM 0 HG12 ILE A 12 2.077 -21.921 -2.160 1.00 72.21 H new ATOM 0 HG13 ILE A 12 0.656 -22.619 -2.913 1.00 72.21 H new ATOM 0 HG21 ILE A 12 2.857 -19.964 -3.129 1.00 70.52 H new ATOM 0 HG22 ILE A 12 2.207 -19.441 -4.701 1.00 70.52 H new ATOM 0 HG23 ILE A 12 1.101 -19.763 -3.344 1.00 70.52 H new ATOM 0 HD11 ILE A 12 2.255 -24.358 -2.280 1.00 3.24 H new ATOM 0 HD12 ILE A 12 2.065 -24.298 -4.048 1.00 3.24 H new ATOM 0 HD13 ILE A 12 3.508 -23.590 -3.285 1.00 3.24 H new ATOM 172 N GLU A 13 -0.033 -23.987 -5.118 1.00 62.54 N ATOM 173 CA GLU A 13 -0.127 -25.388 -5.513 1.00 32.11 C ATOM 174 C GLU A 13 -0.492 -25.514 -6.989 1.00 64.14 C ATOM 175 O GLU A 13 0.000 -26.400 -7.688 1.00 22.53 O ATOM 176 CB GLU A 13 -1.167 -26.113 -4.656 1.00 61.40 C ATOM 177 CG GLU A 13 -2.465 -25.342 -4.491 1.00 54.43 C ATOM 178 CD GLU A 13 -3.636 -26.238 -4.138 1.00 30.14 C ATOM 179 OE1 GLU A 13 -3.774 -27.308 -4.767 1.00 34.12 O ATOM 180 OE2 GLU A 13 -4.414 -25.870 -3.233 1.00 24.25 O ATOM 0 H GLU A 13 -0.606 -23.736 -4.312 1.00 62.54 H new ATOM 0 HA GLU A 13 0.848 -25.849 -5.357 1.00 32.11 H new ATOM 0 HB2 GLU A 13 -1.385 -27.082 -5.106 1.00 61.40 H new ATOM 0 HB3 GLU A 13 -0.742 -26.307 -3.671 1.00 61.40 H new ATOM 0 HG2 GLU A 13 -2.340 -24.590 -3.712 1.00 54.43 H new ATOM 0 HG3 GLU A 13 -2.686 -24.809 -5.416 1.00 54.43 H new ATOM 187 N SER A 14 -1.358 -24.621 -7.457 1.00 44.14 N ATOM 188 CA SER A 14 -1.792 -24.634 -8.849 1.00 51.03 C ATOM 189 C SER A 14 -0.738 -24.003 -9.754 1.00 3.15 C ATOM 190 O SER A 14 -0.346 -24.582 -10.768 1.00 3.42 O ATOM 191 CB SER A 14 -3.120 -23.889 -8.998 1.00 40.12 C ATOM 192 OG SER A 14 -4.177 -24.603 -8.382 1.00 34.12 O ATOM 0 H SER A 14 -1.773 -23.879 -6.893 1.00 44.14 H new ATOM 0 HA SER A 14 -1.930 -25.672 -9.151 1.00 51.03 H new ATOM 0 HB2 SER A 14 -3.037 -22.898 -8.551 1.00 40.12 H new ATOM 0 HB3 SER A 14 -3.343 -23.744 -10.055 1.00 40.12 H new ATOM 0 HG SER A 14 -4.684 -25.091 -9.065 1.00 34.12 H new ATOM 198 N LEU A 15 -0.282 -22.813 -9.379 1.00 13.51 N ATOM 199 CA LEU A 15 0.727 -22.101 -10.155 1.00 4.21 C ATOM 200 C LEU A 15 1.901 -23.015 -10.490 1.00 24.12 C ATOM 201 O LEU A 15 2.397 -23.018 -11.617 1.00 31.44 O ATOM 202 CB LEU A 15 1.223 -20.877 -9.383 1.00 3.12 C ATOM 203 CG LEU A 15 0.244 -19.707 -9.278 1.00 21.31 C ATOM 204 CD1 LEU A 15 0.100 -19.259 -7.832 1.00 25.33 C ATOM 205 CD2 LEU A 15 0.700 -18.550 -10.154 1.00 2.40 C ATOM 0 H LEU A 15 -0.595 -22.321 -8.542 1.00 13.51 H new ATOM 0 HA LEU A 15 0.268 -21.773 -11.088 1.00 4.21 H new ATOM 0 HB2 LEU A 15 1.490 -21.192 -8.374 1.00 3.12 H new ATOM 0 HB3 LEU A 15 2.136 -20.519 -9.858 1.00 3.12 H new ATOM 0 HG LEU A 15 -0.731 -20.042 -9.631 1.00 21.31 H new ATOM 0 HD11 LEU A 15 -0.601 -18.426 -7.777 1.00 25.33 H new ATOM 0 HD12 LEU A 15 -0.274 -20.087 -7.230 1.00 25.33 H new ATOM 0 HD13 LEU A 15 1.071 -18.942 -7.451 1.00 25.33 H new ATOM 0 HD21 LEU A 15 -0.009 -17.726 -10.067 1.00 2.40 H new ATOM 0 HD22 LEU A 15 1.686 -18.216 -9.831 1.00 2.40 H new ATOM 0 HD23 LEU A 15 0.750 -18.877 -11.192 1.00 2.40 H new ATOM 217 N SER A 16 2.340 -23.791 -9.504 1.00 24.20 N ATOM 218 CA SER A 16 3.457 -24.709 -9.693 1.00 63.34 C ATOM 219 C SER A 16 3.248 -25.571 -10.935 1.00 12.21 C ATOM 220 O SER A 16 4.203 -25.923 -11.627 1.00 12.13 O ATOM 221 CB SER A 16 3.626 -25.602 -8.462 1.00 41.51 C ATOM 222 OG SER A 16 4.925 -26.166 -8.415 1.00 41.23 O ATOM 0 H SER A 16 1.939 -23.802 -8.566 1.00 24.20 H new ATOM 0 HA SER A 16 4.362 -24.117 -9.830 1.00 63.34 H new ATOM 0 HB2 SER A 16 3.446 -25.019 -7.559 1.00 41.51 H new ATOM 0 HB3 SER A 16 2.881 -26.398 -8.481 1.00 41.51 H new ATOM 0 HG SER A 16 5.008 -26.731 -7.618 1.00 41.23 H new ATOM 228 N GLN A 17 1.991 -25.906 -11.210 1.00 23.03 N ATOM 229 CA GLN A 17 1.656 -26.727 -12.367 1.00 51.12 C ATOM 230 C GLN A 17 1.644 -25.891 -13.643 1.00 2.34 C ATOM 231 O GLN A 17 2.085 -26.345 -14.698 1.00 32.00 O ATOM 232 CB GLN A 17 0.294 -27.394 -12.168 1.00 71.22 C ATOM 233 CG GLN A 17 0.109 -27.999 -10.786 1.00 30.12 C ATOM 234 CD GLN A 17 -0.401 -29.426 -10.837 1.00 13.34 C ATOM 235 OE1 GLN A 17 -1.385 -29.769 -10.181 1.00 32.05 O ATOM 236 NE2 GLN A 17 0.266 -30.266 -11.618 1.00 64.13 N ATOM 0 H GLN A 17 1.189 -25.622 -10.648 1.00 23.03 H new ATOM 0 HA GLN A 17 2.420 -27.498 -12.467 1.00 51.12 H new ATOM 0 HB2 GLN A 17 -0.491 -26.657 -12.341 1.00 71.22 H new ATOM 0 HB3 GLN A 17 0.169 -28.176 -12.917 1.00 71.22 H new ATOM 0 HG2 GLN A 17 1.060 -27.976 -10.253 1.00 30.12 H new ATOM 0 HG3 GLN A 17 -0.591 -27.387 -10.216 1.00 30.12 H new ATOM 0 HE21 GLN A 17 1.076 -29.939 -12.144 1.00 64.13 H new ATOM 0 HE22 GLN A 17 -0.032 -31.239 -11.692 1.00 64.13 H new ATOM 245 N MET A 18 1.137 -24.667 -13.537 1.00 52.12 N ATOM 246 CA MET A 18 1.069 -23.767 -14.683 1.00 33.12 C ATOM 247 C MET A 18 2.466 -23.341 -15.123 1.00 74.35 C ATOM 248 O MET A 18 2.868 -23.580 -16.263 1.00 52.00 O ATOM 249 CB MET A 18 0.231 -22.533 -14.340 1.00 61.54 C ATOM 250 CG MET A 18 -1.120 -22.867 -13.729 1.00 51.11 C ATOM 251 SD MET A 18 -2.494 -22.490 -14.834 1.00 33.20 S ATOM 252 CE MET A 18 -1.911 -23.223 -16.361 1.00 55.41 C ATOM 0 H MET A 18 0.768 -24.276 -12.670 1.00 52.12 H new ATOM 0 HA MET A 18 0.595 -24.302 -15.506 1.00 33.12 H new ATOM 0 HB2 MET A 18 0.790 -21.906 -13.645 1.00 61.54 H new ATOM 0 HB3 MET A 18 0.076 -21.946 -15.245 1.00 61.54 H new ATOM 0 HG2 MET A 18 -1.146 -23.926 -13.471 1.00 51.11 H new ATOM 0 HG3 MET A 18 -1.242 -22.310 -12.800 1.00 51.11 H new ATOM 0 HE1 MET A 18 -2.285 -22.647 -17.207 1.00 55.41 H new ATOM 0 HE2 MET A 18 -0.821 -23.220 -16.373 1.00 55.41 H new ATOM 0 HE3 MET A 18 -2.271 -24.249 -16.433 1.00 55.41 H new ATOM 262 N LEU A 19 3.201 -22.710 -14.215 1.00 31.01 N ATOM 263 CA LEU A 19 4.554 -22.251 -14.510 1.00 54.52 C ATOM 264 C LEU A 19 5.420 -23.399 -15.018 1.00 10.31 C ATOM 265 O LEU A 19 6.306 -23.201 -15.850 1.00 14.54 O ATOM 266 CB LEU A 19 5.187 -21.632 -13.263 1.00 12.42 C ATOM 267 CG LEU A 19 4.340 -20.594 -12.525 1.00 20.34 C ATOM 268 CD1 LEU A 19 5.054 -20.118 -11.269 1.00 60.10 C ATOM 269 CD2 LEU A 19 4.021 -19.419 -13.437 1.00 41.01 C ATOM 0 H LEU A 19 2.883 -22.504 -13.268 1.00 31.01 H new ATOM 0 HA LEU A 19 4.492 -21.494 -15.292 1.00 54.52 H new ATOM 0 HB2 LEU A 19 5.430 -22.435 -12.567 1.00 12.42 H new ATOM 0 HB3 LEU A 19 6.128 -21.165 -13.552 1.00 12.42 H new ATOM 0 HG LEU A 19 3.402 -21.063 -12.229 1.00 20.34 H new ATOM 0 HD11 LEU A 19 4.437 -19.380 -10.757 1.00 60.10 H new ATOM 0 HD12 LEU A 19 5.230 -20.966 -10.607 1.00 60.10 H new ATOM 0 HD13 LEU A 19 6.008 -19.667 -11.542 1.00 60.10 H new ATOM 0 HD21 LEU A 19 3.418 -18.691 -12.895 1.00 41.01 H new ATOM 0 HD22 LEU A 19 4.949 -18.950 -13.764 1.00 41.01 H new ATOM 0 HD23 LEU A 19 3.467 -19.773 -14.307 1.00 41.01 H new ATOM 281 N SER A 20 5.157 -24.600 -14.513 1.00 51.21 N ATOM 282 CA SER A 20 5.914 -25.780 -14.914 1.00 74.02 C ATOM 283 C SER A 20 5.414 -26.316 -16.252 1.00 64.44 C ATOM 284 O SER A 20 6.164 -26.943 -17.001 1.00 30.35 O ATOM 285 CB SER A 20 5.807 -26.868 -13.844 1.00 62.10 C ATOM 286 OG SER A 20 6.660 -27.960 -14.140 1.00 62.15 O ATOM 0 H SER A 20 4.426 -24.782 -13.826 1.00 51.21 H new ATOM 0 HA SER A 20 6.959 -25.491 -15.025 1.00 74.02 H new ATOM 0 HB2 SER A 20 6.068 -26.452 -12.871 1.00 62.10 H new ATOM 0 HB3 SER A 20 4.776 -27.216 -13.776 1.00 62.10 H new ATOM 0 HG SER A 20 6.574 -28.641 -13.441 1.00 62.15 H new ATOM 292 N MET A 21 4.143 -26.065 -16.546 1.00 70.13 N ATOM 293 CA MET A 21 3.543 -26.521 -17.795 1.00 31.43 C ATOM 294 C MET A 21 3.938 -25.610 -18.953 1.00 32.34 C ATOM 295 O MET A 21 4.102 -26.064 -20.084 1.00 73.23 O ATOM 296 CB MET A 21 2.019 -26.570 -17.665 1.00 43.13 C ATOM 297 CG MET A 21 1.485 -27.940 -17.280 1.00 65.11 C ATOM 298 SD MET A 21 -0.316 -27.998 -17.243 1.00 73.35 S ATOM 299 CE MET A 21 -0.679 -26.596 -16.190 1.00 31.00 C ATOM 0 H MET A 21 3.508 -25.549 -15.937 1.00 70.13 H new ATOM 0 HA MET A 21 3.915 -27.524 -18.003 1.00 31.43 H new ATOM 0 HB2 MET A 21 1.703 -25.843 -16.917 1.00 43.13 H new ATOM 0 HB3 MET A 21 1.572 -26.268 -18.612 1.00 43.13 H new ATOM 0 HG2 MET A 21 1.854 -28.682 -17.988 1.00 65.11 H new ATOM 0 HG3 MET A 21 1.874 -28.215 -16.299 1.00 65.11 H new ATOM 0 HE1 MET A 21 -1.756 -26.521 -16.042 1.00 31.00 H new ATOM 0 HE2 MET A 21 -0.189 -26.729 -15.226 1.00 31.00 H new ATOM 0 HE3 MET A 21 -0.313 -25.683 -16.660 1.00 31.00 H new ATOM 309 N GLY A 22 4.089 -24.322 -18.661 1.00 52.33 N ATOM 310 CA GLY A 22 4.463 -23.368 -19.689 1.00 12.30 C ATOM 311 C GLY A 22 3.687 -22.070 -19.585 1.00 2.52 C ATOM 312 O GLY A 22 3.127 -21.592 -20.572 1.00 10.45 O ATOM 0 H GLY A 22 3.959 -23.922 -17.732 1.00 52.33 H new ATOM 0 HA2 GLY A 22 5.530 -23.157 -19.614 1.00 12.30 H new ATOM 0 HA3 GLY A 22 4.294 -23.811 -20.670 1.00 12.30 H new ATOM 316 N PHE A 23 3.653 -21.497 -18.386 1.00 34.52 N ATOM 317 CA PHE A 23 2.937 -20.248 -18.155 1.00 43.35 C ATOM 318 C PHE A 23 3.714 -19.345 -17.202 1.00 13.44 C ATOM 319 O PHE A 23 4.774 -19.719 -16.700 1.00 13.21 O ATOM 320 CB PHE A 23 1.544 -20.530 -17.589 1.00 4.34 C ATOM 321 CG PHE A 23 0.651 -21.278 -18.537 1.00 5.14 C ATOM 322 CD1 PHE A 23 0.650 -22.663 -18.560 1.00 34.21 C ATOM 323 CD2 PHE A 23 -0.186 -20.596 -19.405 1.00 45.20 C ATOM 324 CE1 PHE A 23 -0.171 -23.355 -19.431 1.00 11.01 C ATOM 325 CE2 PHE A 23 -1.009 -21.282 -20.278 1.00 24.12 C ATOM 326 CZ PHE A 23 -1.001 -22.663 -20.292 1.00 25.23 C ATOM 0 H PHE A 23 4.113 -21.878 -17.559 1.00 34.52 H new ATOM 0 HA PHE A 23 2.834 -19.735 -19.111 1.00 43.35 H new ATOM 0 HB2 PHE A 23 1.644 -21.104 -16.668 1.00 4.34 H new ATOM 0 HB3 PHE A 23 1.070 -19.585 -17.325 1.00 4.34 H new ATOM 0 HD1 PHE A 23 1.298 -23.209 -17.890 1.00 34.21 H new ATOM 0 HD2 PHE A 23 -0.196 -19.516 -19.399 1.00 45.20 H new ATOM 0 HE1 PHE A 23 -0.164 -24.435 -19.438 1.00 11.01 H new ATOM 0 HE2 PHE A 23 -1.658 -20.739 -20.949 1.00 24.12 H new ATOM 0 HZ PHE A 23 -1.642 -23.201 -20.975 1.00 25.23 H new ATOM 336 N SER A 24 3.178 -18.153 -16.957 1.00 30.04 N ATOM 337 CA SER A 24 3.822 -17.194 -16.067 1.00 13.23 C ATOM 338 C SER A 24 2.783 -16.406 -15.275 1.00 10.34 C ATOM 339 O SER A 24 1.598 -16.738 -15.282 1.00 14.13 O ATOM 340 CB SER A 24 4.704 -16.235 -16.868 1.00 52.34 C ATOM 341 OG SER A 24 5.793 -15.772 -16.089 1.00 41.23 O ATOM 0 H SER A 24 2.300 -17.829 -17.362 1.00 30.04 H new ATOM 0 HA SER A 24 4.445 -17.748 -15.365 1.00 13.23 H new ATOM 0 HB2 SER A 24 5.079 -16.739 -17.759 1.00 52.34 H new ATOM 0 HB3 SER A 24 4.109 -15.387 -17.208 1.00 52.34 H new ATOM 0 HG SER A 24 6.342 -15.162 -16.624 1.00 41.23 H new ATOM 347 N ASP A 25 3.237 -15.360 -14.593 1.00 21.15 N ATOM 348 CA ASP A 25 2.348 -14.523 -13.795 1.00 42.45 C ATOM 349 C ASP A 25 2.573 -13.045 -14.103 1.00 75.42 C ATOM 350 O ASP A 25 2.423 -12.191 -13.231 1.00 5.25 O ATOM 351 CB ASP A 25 2.567 -14.785 -12.305 1.00 13.35 C ATOM 352 CG ASP A 25 4.035 -14.790 -11.927 1.00 31.52 C ATOM 353 OD1 ASP A 25 4.574 -13.705 -11.624 1.00 23.43 O ATOM 354 OD2 ASP A 25 4.644 -15.880 -11.933 1.00 64.24 O ATOM 0 H ASP A 25 4.215 -15.071 -14.577 1.00 21.15 H new ATOM 0 HA ASP A 25 1.320 -14.778 -14.053 1.00 42.45 H new ATOM 0 HB2 ASP A 25 2.048 -14.022 -11.725 1.00 13.35 H new ATOM 0 HB3 ASP A 25 2.123 -15.744 -12.039 1.00 13.35 H new ATOM 359 N GLU A 26 2.933 -12.754 -15.349 1.00 55.42 N ATOM 360 CA GLU A 26 3.179 -11.380 -15.770 1.00 42.44 C ATOM 361 C GLU A 26 2.003 -10.479 -15.405 1.00 74.04 C ATOM 362 O GLU A 26 0.891 -10.659 -15.902 1.00 25.22 O ATOM 363 CB GLU A 26 3.431 -11.322 -17.279 1.00 34.43 C ATOM 364 CG GLU A 26 4.605 -12.172 -17.733 1.00 25.35 C ATOM 365 CD GLU A 26 5.805 -11.339 -18.142 1.00 34.33 C ATOM 366 OE1 GLU A 26 5.607 -10.312 -18.824 1.00 5.11 O ATOM 367 OE2 GLU A 26 6.939 -11.714 -17.780 1.00 65.33 O ATOM 0 H GLU A 26 3.061 -13.450 -16.083 1.00 55.42 H new ATOM 0 HA GLU A 26 4.065 -11.021 -15.247 1.00 42.44 H new ATOM 0 HB2 GLU A 26 2.532 -11.650 -17.802 1.00 34.43 H new ATOM 0 HB3 GLU A 26 3.609 -10.287 -17.570 1.00 34.43 H new ATOM 0 HG2 GLU A 26 4.893 -12.847 -16.927 1.00 25.35 H new ATOM 0 HG3 GLU A 26 4.295 -12.793 -18.573 1.00 25.35 H new ATOM 374 N GLY A 27 2.256 -9.508 -14.533 1.00 21.43 N ATOM 375 CA GLY A 27 1.209 -8.594 -14.115 1.00 21.52 C ATOM 376 C GLY A 27 0.368 -9.154 -12.985 1.00 73.30 C ATOM 377 O GLY A 27 0.196 -8.510 -11.951 1.00 43.11 O ATOM 0 H GLY A 27 3.168 -9.338 -14.108 1.00 21.43 H new ATOM 0 HA2 GLY A 27 1.658 -7.653 -13.798 1.00 21.52 H new ATOM 0 HA3 GLY A 27 0.566 -8.370 -14.966 1.00 21.52 H new ATOM 381 N GLY A 28 -0.161 -10.358 -13.183 1.00 23.31 N ATOM 382 CA GLY A 28 -0.984 -10.984 -12.165 1.00 11.55 C ATOM 383 C GLY A 28 -2.221 -11.642 -12.743 1.00 21.23 C ATOM 384 O GLY A 28 -3.332 -11.420 -12.262 1.00 73.33 O ATOM 0 H GLY A 28 -0.034 -10.911 -14.031 1.00 23.31 H new ATOM 0 HA2 GLY A 28 -0.394 -11.731 -11.634 1.00 11.55 H new ATOM 0 HA3 GLY A 28 -1.284 -10.234 -11.433 1.00 11.55 H new ATOM 388 N TRP A 29 -2.028 -12.453 -13.777 1.00 55.40 N ATOM 389 CA TRP A 29 -3.139 -13.144 -14.423 1.00 25.44 C ATOM 390 C TRP A 29 -3.284 -14.563 -13.882 1.00 51.34 C ATOM 391 O TRP A 29 -4.340 -15.183 -14.014 1.00 53.43 O ATOM 392 CB TRP A 29 -2.932 -13.181 -15.938 1.00 24.04 C ATOM 393 CG TRP A 29 -1.904 -14.181 -16.373 1.00 23.23 C ATOM 394 CD1 TRP A 29 -0.554 -13.987 -16.454 1.00 73.13 C ATOM 395 CD2 TRP A 29 -2.143 -15.531 -16.787 1.00 43.44 C ATOM 396 NE1 TRP A 29 0.060 -15.135 -16.895 1.00 11.42 N ATOM 397 CE2 TRP A 29 -0.892 -16.096 -17.105 1.00 74.35 C ATOM 398 CE3 TRP A 29 -3.291 -16.317 -16.919 1.00 44.41 C ATOM 399 CZ2 TRP A 29 -0.761 -17.410 -17.547 1.00 70.04 C ATOM 400 CZ3 TRP A 29 -3.158 -17.620 -17.358 1.00 74.22 C ATOM 401 CH2 TRP A 29 -1.901 -18.157 -17.667 1.00 55.33 C ATOM 0 H TRP A 29 -1.114 -12.648 -14.186 1.00 55.40 H new ATOM 0 HA TRP A 29 -4.054 -12.595 -14.202 1.00 25.44 H new ATOM 0 HB2 TRP A 29 -3.881 -13.413 -16.422 1.00 24.04 H new ATOM 0 HB3 TRP A 29 -2.633 -12.191 -16.281 1.00 24.04 H new ATOM 0 HD1 TRP A 29 -0.044 -13.067 -16.208 1.00 73.13 H new ATOM 0 HE1 TRP A 29 1.063 -15.252 -17.042 1.00 11.42 H new ATOM 0 HE3 TRP A 29 -4.264 -15.913 -16.682 1.00 44.41 H new ATOM 0 HZ2 TRP A 29 0.207 -17.825 -17.787 1.00 70.04 H new ATOM 0 HZ3 TRP A 29 -4.039 -18.236 -17.465 1.00 74.22 H new ATOM 0 HH2 TRP A 29 -1.831 -19.180 -18.006 1.00 55.33 H new ATOM 412 N LEU A 30 -2.218 -15.072 -13.274 1.00 54.41 N ATOM 413 CA LEU A 30 -2.228 -16.418 -12.713 1.00 70.32 C ATOM 414 C LEU A 30 -2.359 -16.375 -11.194 1.00 51.51 C ATOM 415 O LEU A 30 -2.341 -17.410 -10.528 1.00 20.12 O ATOM 416 CB LEU A 30 -0.951 -17.164 -13.105 1.00 74.40 C ATOM 417 CG LEU A 30 -1.006 -18.689 -13.001 1.00 11.14 C ATOM 418 CD1 LEU A 30 -2.040 -19.253 -13.963 1.00 21.13 C ATOM 419 CD2 LEU A 30 0.364 -19.292 -13.274 1.00 2.33 C ATOM 0 H LEU A 30 -1.336 -14.573 -13.157 1.00 54.41 H new ATOM 0 HA LEU A 30 -3.090 -16.947 -13.118 1.00 70.32 H new ATOM 0 HB2 LEU A 30 -0.700 -16.899 -14.132 1.00 74.40 H new ATOM 0 HB3 LEU A 30 -0.137 -16.806 -12.475 1.00 74.40 H new ATOM 0 HG LEU A 30 -1.302 -18.954 -11.986 1.00 11.14 H new ATOM 0 HD11 LEU A 30 -2.065 -20.339 -13.875 1.00 21.13 H new ATOM 0 HD12 LEU A 30 -3.022 -18.847 -13.721 1.00 21.13 H new ATOM 0 HD13 LEU A 30 -1.775 -18.978 -14.984 1.00 21.13 H new ATOM 0 HD21 LEU A 30 0.306 -20.378 -13.196 1.00 2.33 H new ATOM 0 HD22 LEU A 30 0.689 -19.017 -14.278 1.00 2.33 H new ATOM 0 HD23 LEU A 30 1.080 -18.913 -12.545 1.00 2.33 H new ATOM 431 N THR A 31 -2.493 -15.168 -10.651 1.00 74.42 N ATOM 432 CA THR A 31 -2.629 -14.989 -9.211 1.00 62.13 C ATOM 433 C THR A 31 -4.095 -14.972 -8.795 1.00 31.52 C ATOM 434 O THR A 31 -4.424 -15.226 -7.636 1.00 22.12 O ATOM 435 CB THR A 31 -1.959 -13.684 -8.742 1.00 42.22 C ATOM 436 OG1 THR A 31 -2.118 -13.532 -7.327 1.00 74.23 O ATOM 437 CG2 THR A 31 -2.557 -12.481 -9.457 1.00 21.42 C ATOM 0 H THR A 31 -2.510 -14.301 -11.187 1.00 74.42 H new ATOM 0 HA THR A 31 -2.130 -15.835 -8.739 1.00 62.13 H new ATOM 0 HB THR A 31 -0.898 -13.740 -8.984 1.00 42.22 H new ATOM 0 HG1 THR A 31 -1.688 -12.701 -7.037 1.00 74.23 H new ATOM 0 HG21 THR A 31 -2.068 -11.571 -9.109 1.00 21.42 H new ATOM 0 HG22 THR A 31 -2.408 -12.585 -10.532 1.00 21.42 H new ATOM 0 HG23 THR A 31 -3.624 -12.424 -9.243 1.00 21.42 H new ATOM 445 N ARG A 32 -4.973 -14.673 -9.747 1.00 25.10 N ATOM 446 CA ARG A 32 -6.405 -14.623 -9.478 1.00 25.10 C ATOM 447 C ARG A 32 -7.152 -15.654 -10.319 1.00 1.11 C ATOM 448 O ARG A 32 -8.221 -16.129 -9.933 1.00 2.13 O ATOM 449 CB ARG A 32 -6.950 -13.223 -9.764 1.00 73.04 C ATOM 450 CG ARG A 32 -6.237 -12.122 -8.997 1.00 22.34 C ATOM 451 CD ARG A 32 -7.021 -11.706 -7.762 1.00 52.32 C ATOM 452 NE ARG A 32 -7.011 -10.258 -7.570 1.00 1.00 N ATOM 453 CZ ARG A 32 -7.663 -9.408 -8.355 1.00 50.30 C ATOM 454 NH1 ARG A 32 -8.374 -9.858 -9.380 1.00 30.15 N ATOM 455 NH2 ARG A 32 -7.605 -8.104 -8.116 1.00 12.14 N ATOM 0 H ARG A 32 -4.718 -14.462 -10.712 1.00 25.10 H new ATOM 0 HA ARG A 32 -6.561 -14.857 -8.425 1.00 25.10 H new ATOM 0 HB2 ARG A 32 -6.867 -13.022 -10.832 1.00 73.04 H new ATOM 0 HB3 ARG A 32 -8.011 -13.198 -9.516 1.00 73.04 H new ATOM 0 HG2 ARG A 32 -5.246 -12.466 -8.701 1.00 22.34 H new ATOM 0 HG3 ARG A 32 -6.094 -11.258 -9.647 1.00 22.34 H new ATOM 0 HD2 ARG A 32 -8.050 -12.053 -7.852 1.00 52.32 H new ATOM 0 HD3 ARG A 32 -6.597 -12.191 -6.883 1.00 52.32 H new ATOM 0 HE ARG A 32 -6.474 -9.879 -6.790 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -8.421 -10.860 -9.567 1.00 30.15 H new ATOM 0 HH12 ARG A 32 -8.874 -9.203 -9.981 1.00 30.15 H new ATOM 0 HH21 ARG A 32 -7.059 -7.754 -7.329 1.00 12.14 H new ATOM 0 HH22 ARG A 32 -8.106 -7.452 -8.720 1.00 12.14 H new ATOM 469 N LEU A 33 -6.583 -15.995 -11.470 1.00 33.10 N ATOM 470 CA LEU A 33 -7.196 -16.969 -12.367 1.00 25.54 C ATOM 471 C LEU A 33 -7.549 -18.251 -11.619 1.00 14.25 C ATOM 472 O LEU A 33 -8.681 -18.732 -11.690 1.00 61.25 O ATOM 473 CB LEU A 33 -6.251 -17.287 -13.527 1.00 75.35 C ATOM 474 CG LEU A 33 -6.528 -18.589 -14.281 1.00 32.04 C ATOM 475 CD1 LEU A 33 -7.946 -18.596 -14.831 1.00 61.20 C ATOM 476 CD2 LEU A 33 -5.518 -18.782 -15.402 1.00 3.41 C ATOM 0 H LEU A 33 -5.699 -15.612 -11.804 1.00 33.10 H new ATOM 0 HA LEU A 33 -8.115 -16.535 -12.762 1.00 25.54 H new ATOM 0 HB2 LEU A 33 -6.292 -16.463 -14.239 1.00 75.35 H new ATOM 0 HB3 LEU A 33 -5.233 -17.324 -13.140 1.00 75.35 H new ATOM 0 HG LEU A 33 -6.427 -19.419 -13.582 1.00 32.04 H new ATOM 0 HD11 LEU A 33 -8.125 -19.530 -15.364 1.00 61.20 H new ATOM 0 HD12 LEU A 33 -8.656 -18.506 -14.009 1.00 61.20 H new ATOM 0 HD13 LEU A 33 -8.075 -17.757 -15.515 1.00 61.20 H new ATOM 0 HD21 LEU A 33 -5.731 -19.713 -15.927 1.00 3.41 H new ATOM 0 HD22 LEU A 33 -5.586 -17.948 -16.100 1.00 3.41 H new ATOM 0 HD23 LEU A 33 -4.513 -18.823 -14.983 1.00 3.41 H new ATOM 488 N LEU A 34 -6.576 -18.798 -10.899 1.00 43.41 N ATOM 489 CA LEU A 34 -6.785 -20.023 -10.135 1.00 5.42 C ATOM 490 C LEU A 34 -7.862 -19.825 -9.074 1.00 31.25 C ATOM 491 O LEU A 34 -8.758 -20.656 -8.924 1.00 0.41 O ATOM 492 CB LEU A 34 -5.477 -20.464 -9.475 1.00 33.33 C ATOM 493 CG LEU A 34 -4.433 -21.084 -10.403 1.00 65.52 C ATOM 494 CD1 LEU A 34 -5.045 -22.213 -11.218 1.00 54.32 C ATOM 495 CD2 LEU A 34 -3.837 -20.025 -11.319 1.00 20.11 C ATOM 0 H LEU A 34 -5.634 -18.413 -10.828 1.00 43.41 H new ATOM 0 HA LEU A 34 -7.118 -20.800 -10.823 1.00 5.42 H new ATOM 0 HB2 LEU A 34 -5.031 -19.598 -8.986 1.00 33.33 H new ATOM 0 HB3 LEU A 34 -5.713 -21.186 -8.693 1.00 33.33 H new ATOM 0 HG LEU A 34 -3.632 -21.499 -9.791 1.00 65.52 H new ATOM 0 HD11 LEU A 34 -4.286 -22.642 -11.873 1.00 54.32 H new ATOM 0 HD12 LEU A 34 -5.422 -22.984 -10.546 1.00 54.32 H new ATOM 0 HD13 LEU A 34 -5.866 -21.823 -11.820 1.00 54.32 H new ATOM 0 HD21 LEU A 34 -3.096 -20.485 -11.973 1.00 20.11 H new ATOM 0 HD22 LEU A 34 -4.627 -19.580 -11.923 1.00 20.11 H new ATOM 0 HD23 LEU A 34 -3.360 -19.251 -10.718 1.00 20.11 H new ATOM 507 N GLN A 35 -7.769 -18.720 -8.341 1.00 40.14 N ATOM 508 CA GLN A 35 -8.737 -18.413 -7.295 1.00 72.32 C ATOM 509 C GLN A 35 -10.161 -18.460 -7.840 1.00 42.54 C ATOM 510 O GLN A 35 -11.094 -18.851 -7.139 1.00 20.33 O ATOM 511 CB GLN A 35 -8.453 -17.035 -6.696 1.00 24.15 C ATOM 512 CG GLN A 35 -7.246 -17.011 -5.771 1.00 71.31 C ATOM 513 CD GLN A 35 -7.016 -15.649 -5.147 1.00 20.11 C ATOM 514 OE1 GLN A 35 -6.488 -14.740 -5.789 1.00 33.42 O ATOM 515 NE2 GLN A 35 -7.412 -15.500 -3.888 1.00 42.22 N ATOM 0 H GLN A 35 -7.033 -18.023 -8.452 1.00 40.14 H new ATOM 0 HA GLN A 35 -8.641 -19.167 -6.514 1.00 72.32 H new ATOM 0 HB2 GLN A 35 -8.295 -16.322 -7.505 1.00 24.15 H new ATOM 0 HB3 GLN A 35 -9.331 -16.700 -6.143 1.00 24.15 H new ATOM 0 HG2 GLN A 35 -7.384 -17.750 -4.981 1.00 71.31 H new ATOM 0 HG3 GLN A 35 -6.358 -17.305 -6.331 1.00 71.31 H new ATOM 0 HE21 GLN A 35 -7.845 -16.280 -3.394 1.00 42.22 H new ATOM 0 HE22 GLN A 35 -7.283 -14.605 -3.415 1.00 42.22 H new ATOM 524 N THR A 36 -10.321 -18.056 -9.097 1.00 74.41 N ATOM 525 CA THR A 36 -11.631 -18.050 -9.736 1.00 71.33 C ATOM 526 C THR A 36 -12.033 -19.452 -10.180 1.00 61.13 C ATOM 527 O THR A 36 -13.217 -19.746 -10.348 1.00 64.34 O ATOM 528 CB THR A 36 -11.656 -17.111 -10.957 1.00 13.33 C ATOM 529 OG1 THR A 36 -10.320 -16.754 -11.328 1.00 71.21 O ATOM 530 CG2 THR A 36 -12.457 -15.853 -10.655 1.00 2.22 C ATOM 0 H THR A 36 -9.560 -17.729 -9.692 1.00 74.41 H new ATOM 0 HA THR A 36 -12.343 -17.689 -8.994 1.00 71.33 H new ATOM 0 HB THR A 36 -12.133 -17.638 -11.783 1.00 13.33 H new ATOM 0 HG1 THR A 36 -9.879 -17.525 -11.742 1.00 71.21 H new ATOM 0 HG21 THR A 36 -12.461 -15.205 -11.531 1.00 2.22 H new ATOM 0 HG22 THR A 36 -13.481 -16.126 -10.401 1.00 2.22 H new ATOM 0 HG23 THR A 36 -12.003 -15.326 -9.816 1.00 2.22 H new ATOM 538 N LYS A 37 -11.040 -20.315 -10.368 1.00 74.33 N ATOM 539 CA LYS A 37 -11.290 -21.688 -10.791 1.00 64.31 C ATOM 540 C LYS A 37 -11.160 -22.652 -9.616 1.00 4.44 C ATOM 541 O LYS A 37 -11.073 -23.864 -9.802 1.00 33.52 O ATOM 542 CB LYS A 37 -10.314 -22.087 -11.901 1.00 54.11 C ATOM 543 CG LYS A 37 -10.374 -21.179 -13.118 1.00 24.34 C ATOM 544 CD LYS A 37 -11.786 -21.076 -13.668 1.00 12.43 C ATOM 545 CE LYS A 37 -11.785 -20.683 -15.137 1.00 64.22 C ATOM 546 NZ LYS A 37 -13.153 -20.722 -15.723 1.00 51.40 N ATOM 0 H LYS A 37 -10.055 -20.088 -10.234 1.00 74.33 H new ATOM 0 HA LYS A 37 -12.309 -21.744 -11.173 1.00 64.31 H new ATOM 0 HB2 LYS A 37 -9.300 -22.079 -11.502 1.00 54.11 H new ATOM 0 HB3 LYS A 37 -10.527 -23.110 -12.210 1.00 54.11 H new ATOM 0 HG2 LYS A 37 -10.014 -20.186 -12.850 1.00 24.34 H new ATOM 0 HG3 LYS A 37 -9.708 -21.562 -13.892 1.00 24.34 H new ATOM 0 HD2 LYS A 37 -12.295 -22.032 -13.546 1.00 12.43 H new ATOM 0 HD3 LYS A 37 -12.348 -20.340 -13.094 1.00 12.43 H new ATOM 0 HE2 LYS A 37 -11.373 -19.680 -15.244 1.00 64.22 H new ATOM 0 HE3 LYS A 37 -11.133 -21.357 -15.693 1.00 64.22 H new ATOM 0 HZ1 LYS A 37 -13.109 -20.448 -16.725 1.00 51.40 H new ATOM 0 HZ2 LYS A 37 -13.537 -21.685 -15.644 1.00 51.40 H new ATOM 0 HZ3 LYS A 37 -13.770 -20.060 -15.210 1.00 51.40 H new ATOM 560 N ASN A 38 -11.148 -22.103 -8.405 1.00 41.21 N ATOM 561 CA ASN A 38 -11.029 -22.914 -7.199 1.00 75.31 C ATOM 562 C ASN A 38 -9.720 -23.696 -7.196 1.00 64.52 C ATOM 563 O ASN A 38 -9.687 -24.872 -6.832 1.00 73.21 O ATOM 564 CB ASN A 38 -12.212 -23.878 -7.090 1.00 74.50 C ATOM 565 CG ASN A 38 -12.532 -24.241 -5.653 1.00 21.34 C ATOM 566 OD1 ASN A 38 -11.642 -24.589 -4.876 1.00 72.11 O ATOM 567 ND2 ASN A 38 -13.808 -24.162 -5.292 1.00 45.20 N ATOM 0 H ASN A 38 -11.219 -21.100 -8.233 1.00 41.21 H new ATOM 0 HA ASN A 38 -11.033 -22.244 -6.339 1.00 75.31 H new ATOM 0 HB2 ASN A 38 -13.090 -23.425 -7.551 1.00 74.50 H new ATOM 0 HB3 ASN A 38 -11.990 -24.786 -7.650 1.00 74.50 H new ATOM 0 HD21 ASN A 38 -14.083 -24.394 -4.338 1.00 45.20 H new ATOM 0 HD22 ASN A 38 -14.512 -23.869 -5.969 1.00 45.20 H new ATOM 574 N TYR A 39 -8.642 -23.036 -7.604 1.00 3.34 N ATOM 575 CA TYR A 39 -7.329 -23.669 -7.650 1.00 31.01 C ATOM 576 C TYR A 39 -7.359 -24.923 -8.519 1.00 14.50 C ATOM 577 O TYR A 39 -7.043 -26.019 -8.058 1.00 33.35 O ATOM 578 CB TYR A 39 -6.861 -24.025 -6.238 1.00 34.13 C ATOM 579 CG TYR A 39 -7.149 -22.949 -5.215 1.00 74.31 C ATOM 580 CD1 TYR A 39 -6.675 -21.655 -5.388 1.00 4.25 C ATOM 581 CD2 TYR A 39 -7.895 -23.227 -4.076 1.00 72.14 C ATOM 582 CE1 TYR A 39 -6.935 -20.669 -4.456 1.00 5.44 C ATOM 583 CE2 TYR A 39 -8.161 -22.247 -3.140 1.00 53.00 C ATOM 584 CZ TYR A 39 -7.679 -20.969 -3.334 1.00 23.51 C ATOM 585 OH TYR A 39 -7.940 -19.991 -2.403 1.00 14.42 O ATOM 0 H TYR A 39 -8.651 -22.062 -7.908 1.00 3.34 H new ATOM 0 HA TYR A 39 -6.628 -22.960 -8.090 1.00 31.01 H new ATOM 0 HB2 TYR A 39 -7.346 -24.950 -5.926 1.00 34.13 H new ATOM 0 HB3 TYR A 39 -5.788 -24.218 -6.258 1.00 34.13 H new ATOM 0 HD1 TYR A 39 -6.093 -21.416 -6.266 1.00 4.25 H new ATOM 0 HD2 TYR A 39 -8.273 -24.227 -3.920 1.00 72.14 H new ATOM 0 HE1 TYR A 39 -6.558 -19.668 -4.605 1.00 5.44 H new ATOM 0 HE2 TYR A 39 -8.743 -22.480 -2.261 1.00 53.00 H new ATOM 0 HH TYR A 39 -8.477 -20.368 -1.675 1.00 14.42 H new ATOM 595 N ASP A 40 -7.741 -24.751 -9.780 1.00 33.03 N ATOM 596 CA ASP A 40 -7.812 -25.867 -10.716 1.00 22.02 C ATOM 597 C ASP A 40 -6.722 -25.756 -11.777 1.00 5.20 C ATOM 598 O ASP A 40 -6.293 -24.656 -12.127 1.00 44.11 O ATOM 599 CB ASP A 40 -9.187 -25.915 -11.383 1.00 12.20 C ATOM 600 CG ASP A 40 -10.081 -26.986 -10.790 1.00 72.24 C ATOM 601 OD1 ASP A 40 -10.285 -26.975 -9.558 1.00 53.42 O ATOM 602 OD2 ASP A 40 -10.578 -27.836 -11.559 1.00 4.10 O ATOM 0 H ASP A 40 -8.006 -23.850 -10.177 1.00 33.03 H new ATOM 0 HA ASP A 40 -7.657 -26.789 -10.156 1.00 22.02 H new ATOM 0 HB2 ASP A 40 -9.671 -24.944 -11.281 1.00 12.20 H new ATOM 0 HB3 ASP A 40 -9.064 -26.099 -12.450 1.00 12.20 H new ATOM 607 N ILE A 41 -6.277 -26.901 -12.284 1.00 13.12 N ATOM 608 CA ILE A 41 -5.237 -26.931 -13.305 1.00 33.54 C ATOM 609 C ILE A 41 -5.832 -27.172 -14.688 1.00 61.40 C ATOM 610 O ILE A 41 -5.279 -26.738 -15.697 1.00 43.43 O ATOM 611 CB ILE A 41 -4.192 -28.023 -13.010 1.00 64.24 C ATOM 612 CG1 ILE A 41 -3.910 -28.099 -11.508 1.00 41.34 C ATOM 613 CG2 ILE A 41 -2.909 -27.750 -13.782 1.00 73.13 C ATOM 614 CD1 ILE A 41 -3.428 -26.792 -10.918 1.00 23.34 C ATOM 0 H ILE A 41 -6.620 -27.820 -12.004 1.00 13.12 H new ATOM 0 HA ILE A 41 -4.748 -25.957 -13.288 1.00 33.54 H new ATOM 0 HB ILE A 41 -4.591 -28.984 -13.334 1.00 64.24 H new ATOM 0 HG12 ILE A 41 -4.818 -28.409 -10.991 1.00 41.34 H new ATOM 0 HG13 ILE A 41 -3.161 -28.869 -11.325 1.00 41.34 H new ATOM 0 HG21 ILE A 41 -2.180 -28.530 -13.563 1.00 73.13 H new ATOM 0 HG22 ILE A 41 -3.122 -27.742 -14.851 1.00 73.13 H new ATOM 0 HG23 ILE A 41 -2.505 -26.782 -13.485 1.00 73.13 H new ATOM 0 HD11 ILE A 41 -3.248 -26.919 -9.851 1.00 23.34 H new ATOM 0 HD12 ILE A 41 -2.503 -26.491 -11.409 1.00 23.34 H new ATOM 0 HD13 ILE A 41 -4.186 -26.023 -11.069 1.00 23.34 H new ATOM 626 N GLY A 42 -6.965 -27.868 -14.727 1.00 3.43 N ATOM 627 CA GLY A 42 -7.617 -28.153 -15.991 1.00 51.01 C ATOM 628 C GLY A 42 -8.541 -27.035 -16.432 1.00 45.25 C ATOM 629 O GLY A 42 -8.907 -26.950 -17.604 1.00 14.30 O ATOM 0 H GLY A 42 -7.442 -28.239 -13.905 1.00 3.43 H new ATOM 0 HA2 GLY A 42 -6.860 -28.318 -16.758 1.00 51.01 H new ATOM 0 HA3 GLY A 42 -8.187 -29.078 -15.902 1.00 51.01 H new ATOM 633 N ALA A 43 -8.918 -26.176 -15.492 1.00 15.53 N ATOM 634 CA ALA A 43 -9.804 -25.057 -15.790 1.00 35.21 C ATOM 635 C ALA A 43 -9.008 -23.801 -16.128 1.00 75.31 C ATOM 636 O ALA A 43 -9.472 -22.945 -16.880 1.00 52.04 O ATOM 637 CB ALA A 43 -10.736 -24.794 -14.616 1.00 23.02 C ATOM 0 H ALA A 43 -8.624 -26.233 -14.517 1.00 15.53 H new ATOM 0 HA ALA A 43 -10.402 -25.322 -16.662 1.00 35.21 H new ATOM 0 HB1 ALA A 43 -11.392 -23.956 -14.853 1.00 23.02 H new ATOM 0 HB2 ALA A 43 -11.338 -25.682 -14.423 1.00 23.02 H new ATOM 0 HB3 ALA A 43 -10.147 -24.555 -13.730 1.00 23.02 H new ATOM 643 N ALA A 44 -7.808 -23.698 -15.567 1.00 13.13 N ATOM 644 CA ALA A 44 -6.948 -22.547 -15.810 1.00 43.02 C ATOM 645 C ALA A 44 -6.155 -22.718 -17.101 1.00 44.14 C ATOM 646 O ALA A 44 -5.625 -21.750 -17.649 1.00 61.35 O ATOM 647 CB ALA A 44 -6.006 -22.334 -14.634 1.00 61.13 C ATOM 0 H ALA A 44 -7.409 -24.398 -14.941 1.00 13.13 H new ATOM 0 HA ALA A 44 -7.582 -21.667 -15.917 1.00 43.02 H new ATOM 0 HB1 ALA A 44 -5.370 -21.471 -14.829 1.00 61.13 H new ATOM 0 HB2 ALA A 44 -6.588 -22.159 -13.729 1.00 61.13 H new ATOM 0 HB3 ALA A 44 -5.385 -23.220 -14.500 1.00 61.13 H new ATOM 653 N LEU A 45 -6.076 -23.954 -17.582 1.00 43.44 N ATOM 654 CA LEU A 45 -5.346 -24.252 -18.810 1.00 0.31 C ATOM 655 C LEU A 45 -6.124 -23.779 -20.034 1.00 64.11 C ATOM 656 O LEU A 45 -5.556 -23.604 -21.113 1.00 14.45 O ATOM 657 CB LEU A 45 -5.074 -25.753 -18.913 1.00 22.41 C ATOM 658 CG LEU A 45 -3.809 -26.256 -18.216 1.00 44.44 C ATOM 659 CD1 LEU A 45 -3.813 -27.774 -18.131 1.00 12.12 C ATOM 660 CD2 LEU A 45 -2.567 -25.765 -18.947 1.00 11.42 C ATOM 0 H LEU A 45 -6.508 -24.766 -17.141 1.00 43.44 H new ATOM 0 HA LEU A 45 -4.396 -23.718 -18.778 1.00 0.31 H new ATOM 0 HB2 LEU A 45 -5.929 -26.286 -18.498 1.00 22.41 H new ATOM 0 HB3 LEU A 45 -5.013 -26.019 -19.968 1.00 22.41 H new ATOM 0 HG LEU A 45 -3.793 -25.856 -17.202 1.00 44.44 H new ATOM 0 HD11 LEU A 45 -2.905 -28.113 -17.632 1.00 12.12 H new ATOM 0 HD12 LEU A 45 -4.683 -28.104 -17.564 1.00 12.12 H new ATOM 0 HD13 LEU A 45 -3.853 -28.195 -19.136 1.00 12.12 H new ATOM 0 HD21 LEU A 45 -1.676 -26.132 -18.438 1.00 11.42 H new ATOM 0 HD22 LEU A 45 -2.578 -26.136 -19.972 1.00 11.42 H new ATOM 0 HD23 LEU A 45 -2.557 -24.675 -18.956 1.00 11.42 H new ATOM 672 N ASP A 46 -7.424 -23.573 -19.859 1.00 32.11 N ATOM 673 CA ASP A 46 -8.280 -23.117 -20.948 1.00 63.34 C ATOM 674 C ASP A 46 -8.745 -21.684 -20.711 1.00 2.01 C ATOM 675 O ASP A 46 -9.769 -21.255 -21.243 1.00 72.34 O ATOM 676 CB ASP A 46 -9.490 -24.041 -21.096 1.00 65.41 C ATOM 677 CG ASP A 46 -9.660 -24.550 -22.514 1.00 50.32 C ATOM 678 OD1 ASP A 46 -8.639 -24.879 -23.153 1.00 21.24 O ATOM 679 OD2 ASP A 46 -10.815 -24.617 -22.986 1.00 24.32 O ATOM 0 H ASP A 46 -7.909 -23.715 -18.973 1.00 32.11 H new ATOM 0 HA ASP A 46 -7.698 -23.143 -21.869 1.00 63.34 H new ATOM 0 HB2 ASP A 46 -9.381 -24.889 -20.419 1.00 65.41 H new ATOM 0 HB3 ASP A 46 -10.391 -23.506 -20.795 1.00 65.41 H new ATOM 684 N THR A 47 -7.986 -20.946 -19.907 1.00 24.35 N ATOM 685 CA THR A 47 -8.321 -19.562 -19.596 1.00 63.33 C ATOM 686 C THR A 47 -7.317 -18.600 -20.221 1.00 63.31 C ATOM 687 O THR A 47 -7.255 -17.427 -19.852 1.00 60.12 O ATOM 688 CB THR A 47 -8.366 -19.323 -18.075 1.00 51.44 C ATOM 689 OG1 THR A 47 -8.983 -20.437 -17.422 1.00 31.40 O ATOM 690 CG2 THR A 47 -9.133 -18.050 -17.751 1.00 14.22 C ATOM 0 H THR A 47 -7.134 -21.284 -19.459 1.00 24.35 H new ATOM 0 HA THR A 47 -9.310 -19.374 -20.015 1.00 63.33 H new ATOM 0 HB THR A 47 -7.343 -19.214 -17.716 1.00 51.44 H new ATOM 0 HG1 THR A 47 -9.680 -20.114 -16.814 1.00 31.40 H new ATOM 0 HG21 THR A 47 -9.152 -17.901 -16.671 1.00 14.22 H new ATOM 0 HG22 THR A 47 -8.644 -17.200 -18.226 1.00 14.22 H new ATOM 0 HG23 THR A 47 -10.154 -18.136 -18.123 1.00 14.22 H new ATOM 698 N ILE A 48 -6.533 -19.104 -21.169 1.00 1.54 N ATOM 699 CA ILE A 48 -5.533 -18.287 -21.846 1.00 30.14 C ATOM 700 C ILE A 48 -5.804 -18.217 -23.345 1.00 1.24 C ATOM 701 O ILE A 48 -5.495 -17.218 -23.994 1.00 74.32 O ATOM 702 CB ILE A 48 -4.111 -18.834 -21.617 1.00 54.23 C ATOM 703 CG1 ILE A 48 -4.038 -19.587 -20.287 1.00 55.24 C ATOM 704 CG2 ILE A 48 -3.097 -17.700 -21.647 1.00 20.41 C ATOM 705 CD1 ILE A 48 -4.371 -21.058 -20.407 1.00 1.43 C ATOM 0 H ILE A 48 -6.571 -20.073 -21.485 1.00 1.54 H new ATOM 0 HA ILE A 48 -5.601 -17.286 -21.420 1.00 30.14 H new ATOM 0 HB ILE A 48 -3.872 -19.531 -22.420 1.00 54.23 H new ATOM 0 HG12 ILE A 48 -3.035 -19.482 -19.874 1.00 55.24 H new ATOM 0 HG13 ILE A 48 -4.724 -19.124 -19.578 1.00 55.24 H new ATOM 0 HG21 ILE A 48 -2.097 -18.102 -21.484 1.00 20.41 H new ATOM 0 HG22 ILE A 48 -3.135 -17.204 -22.617 1.00 20.41 H new ATOM 0 HG23 ILE A 48 -3.332 -16.981 -20.862 1.00 20.41 H new ATOM 0 HD11 ILE A 48 -4.299 -21.528 -19.426 1.00 1.43 H new ATOM 0 HD12 ILE A 48 -5.385 -21.171 -20.791 1.00 1.43 H new ATOM 0 HD13 ILE A 48 -3.669 -21.535 -21.091 1.00 1.43 H new ATOM 717 N GLN A 49 -6.384 -19.283 -23.886 1.00 70.02 N ATOM 718 CA GLN A 49 -6.698 -19.341 -25.309 1.00 23.31 C ATOM 719 C GLN A 49 -7.469 -18.101 -25.748 1.00 12.05 C ATOM 720 O GLN A 49 -7.166 -17.502 -26.780 1.00 11.24 O ATOM 721 CB GLN A 49 -7.510 -20.599 -25.623 1.00 21.04 C ATOM 722 CG GLN A 49 -6.796 -21.891 -25.259 1.00 43.21 C ATOM 723 CD GLN A 49 -5.770 -22.303 -26.297 1.00 12.41 C ATOM 724 OE1 GLN A 49 -6.107 -22.548 -27.456 1.00 4.33 O ATOM 725 NE2 GLN A 49 -4.510 -22.381 -25.886 1.00 0.23 N ATOM 0 H GLN A 49 -6.646 -20.118 -23.361 1.00 70.02 H new ATOM 0 HA GLN A 49 -5.759 -19.376 -25.861 1.00 23.31 H new ATOM 0 HB2 GLN A 49 -8.457 -20.553 -25.086 1.00 21.04 H new ATOM 0 HB3 GLN A 49 -7.747 -20.612 -26.687 1.00 21.04 H new ATOM 0 HG2 GLN A 49 -6.303 -21.770 -24.294 1.00 43.21 H new ATOM 0 HG3 GLN A 49 -7.531 -22.688 -25.144 1.00 43.21 H new ATOM 0 HE21 GLN A 49 -4.276 -22.169 -24.916 1.00 0.23 H new ATOM 0 HE22 GLN A 49 -3.776 -22.653 -26.540 1.00 0.23 H new ATOM 734 N TYR A 50 -8.467 -17.721 -24.958 1.00 35.53 N ATOM 735 CA TYR A 50 -9.285 -16.554 -25.266 1.00 44.10 C ATOM 736 C TYR A 50 -10.167 -16.178 -24.080 1.00 12.12 C ATOM 737 O TYR A 50 -10.059 -16.762 -23.001 1.00 42.54 O ATOM 738 CB TYR A 50 -10.152 -16.823 -26.497 1.00 34.15 C ATOM 739 CG TYR A 50 -11.295 -17.778 -26.235 1.00 23.44 C ATOM 740 CD1 TYR A 50 -11.107 -19.153 -26.309 1.00 74.25 C ATOM 741 CD2 TYR A 50 -12.561 -17.307 -25.913 1.00 53.52 C ATOM 742 CE1 TYR A 50 -12.148 -20.030 -26.072 1.00 13.13 C ATOM 743 CE2 TYR A 50 -13.608 -18.176 -25.672 1.00 44.23 C ATOM 744 CZ TYR A 50 -13.396 -19.536 -25.753 1.00 32.41 C ATOM 745 OH TYR A 50 -14.436 -20.406 -25.515 1.00 52.41 O ATOM 0 H TYR A 50 -8.729 -18.205 -24.099 1.00 35.53 H new ATOM 0 HA TYR A 50 -8.617 -15.719 -25.477 1.00 44.10 H new ATOM 0 HB2 TYR A 50 -10.555 -15.878 -26.861 1.00 34.15 H new ATOM 0 HB3 TYR A 50 -9.525 -17.229 -27.291 1.00 34.15 H new ATOM 0 HD1 TYR A 50 -10.130 -19.543 -26.556 1.00 74.25 H new ATOM 0 HD2 TYR A 50 -12.730 -16.242 -25.850 1.00 53.52 H new ATOM 0 HE1 TYR A 50 -11.986 -21.096 -26.136 1.00 13.13 H new ATOM 0 HE2 TYR A 50 -14.586 -17.792 -25.422 1.00 44.23 H new ATOM 0 HH TYR A 50 -15.246 -19.897 -25.303 1.00 52.41 H new ATOM 755 N SER A 51 -11.042 -15.199 -24.288 1.00 44.21 N ATOM 756 CA SER A 51 -11.942 -14.741 -23.236 1.00 61.31 C ATOM 757 C SER A 51 -13.383 -15.137 -23.544 1.00 42.01 C ATOM 758 O SER A 51 -13.933 -16.052 -22.931 1.00 23.20 O ATOM 759 CB SER A 51 -11.841 -13.223 -23.074 1.00 74.31 C ATOM 760 OG SER A 51 -11.186 -12.882 -21.865 1.00 13.31 O ATOM 0 H SER A 51 -11.147 -14.708 -25.176 1.00 44.21 H new ATOM 0 HA SER A 51 -11.644 -15.219 -22.303 1.00 61.31 H new ATOM 0 HB2 SER A 51 -11.297 -12.799 -23.918 1.00 74.31 H new ATOM 0 HB3 SER A 51 -12.839 -12.786 -23.086 1.00 74.31 H new ATOM 0 HG SER A 51 -11.133 -11.907 -21.786 1.00 13.31 H new ATOM 766 N LYS A 52 -13.990 -14.440 -24.499 1.00 64.41 N ATOM 767 CA LYS A 52 -15.366 -14.718 -24.892 1.00 13.53 C ATOM 768 C LYS A 52 -15.443 -15.120 -26.361 1.00 5.00 C ATOM 769 O LYS A 52 -15.932 -16.200 -26.695 1.00 2.33 O ATOM 770 CB LYS A 52 -16.246 -13.491 -24.642 1.00 14.15 C ATOM 771 CG LYS A 52 -17.012 -13.549 -23.331 1.00 52.31 C ATOM 772 CD LYS A 52 -18.173 -14.526 -23.406 1.00 60.43 C ATOM 773 CE LYS A 52 -18.569 -15.028 -22.026 1.00 75.12 C ATOM 774 NZ LYS A 52 -19.523 -14.104 -21.353 1.00 11.41 N ATOM 0 H LYS A 52 -13.550 -13.678 -25.015 1.00 64.41 H new ATOM 0 HA LYS A 52 -15.729 -15.549 -24.287 1.00 13.53 H new ATOM 0 HB2 LYS A 52 -15.621 -12.598 -24.649 1.00 14.15 H new ATOM 0 HB3 LYS A 52 -16.955 -13.389 -25.463 1.00 14.15 H new ATOM 0 HG2 LYS A 52 -16.338 -13.845 -22.527 1.00 52.31 H new ATOM 0 HG3 LYS A 52 -17.387 -12.556 -23.083 1.00 52.31 H new ATOM 0 HD2 LYS A 52 -19.028 -14.041 -23.877 1.00 60.43 H new ATOM 0 HD3 LYS A 52 -17.898 -15.371 -24.037 1.00 60.43 H new ATOM 0 HE2 LYS A 52 -19.021 -16.016 -22.115 1.00 75.12 H new ATOM 0 HE3 LYS A 52 -17.677 -15.140 -21.410 1.00 75.12 H new ATOM 0 HZ1 LYS A 52 -19.769 -14.481 -20.415 1.00 11.41 H new ATOM 0 HZ2 LYS A 52 -19.082 -13.168 -21.245 1.00 11.41 H new ATOM 0 HZ3 LYS A 52 -20.385 -14.016 -21.928 1.00 11.41 H new ATOM 788 N HIS A 53 -14.954 -14.246 -27.235 1.00 55.25 N ATOM 789 CA HIS A 53 -14.966 -14.512 -28.670 1.00 3.34 C ATOM 790 C HIS A 53 -13.613 -14.181 -29.294 1.00 74.20 C ATOM 791 O HIS A 53 -13.427 -14.320 -30.503 1.00 61.43 O ATOM 792 CB HIS A 53 -16.067 -13.700 -29.352 1.00 35.05 C ATOM 793 CG HIS A 53 -16.071 -12.253 -28.966 1.00 51.21 C ATOM 794 ND1 HIS A 53 -17.221 -11.562 -28.646 1.00 42.01 N ATOM 795 CD2 HIS A 53 -15.056 -11.365 -28.848 1.00 63.44 C ATOM 796 CE1 HIS A 53 -16.913 -10.312 -28.350 1.00 43.11 C ATOM 797 NE2 HIS A 53 -15.605 -10.167 -28.465 1.00 1.33 N ATOM 0 H HIS A 53 -14.545 -13.348 -26.976 1.00 55.25 H new ATOM 0 HA HIS A 53 -15.165 -15.574 -28.816 1.00 3.34 H new ATOM 0 HB2 HIS A 53 -15.949 -13.779 -30.433 1.00 35.05 H new ATOM 0 HB3 HIS A 53 -17.035 -14.136 -29.105 1.00 35.05 H new ATOM 0 HD2 HIS A 53 -14.009 -11.563 -29.023 1.00 63.44 H new ATOM 0 HE1 HIS A 53 -17.612 -9.540 -28.063 1.00 43.11 H new ATOM 0 HE2 HIS A 53 -15.087 -9.305 -28.296 1.00 1.33 H new TER 805 HIS A 53