USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 741 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 84 HIS : no HD1:sc= 0.35 K(o=1.7,f=-3.2) USER MOD Set 1.2: A 86 THR OG1 : rot -84:sc= 1.31 USER MOD Set 2.1: A 73 THR OG1 : rot 75:sc= 0.908 USER MOD Set 2.2: A 78 TYR OH : rot -56:sc= 1.5 USER MOD Set 3.1: A 57 SER OG : rot 134:sc= 0.774 USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0.692 USER MOD Set 4.1: A 55 SER OG : rot -124:sc= 1.55 USER MOD Set 4.2: A 63 TYR OH : rot 180:sc= 0.247 USER MOD Single : A 2 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 6 LYS NZ :NH3+ -171:sc=-0.00298 (180deg=-0.111) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -91:sc= 0.61 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00504) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.382 K(o=0.38,f=-0.34) USER MOD Single : A 24 ASN : amide:sc= -0.594 K(o=-0.59,f=-3.6!) USER MOD Single : A 26 TYR OH : rot -46:sc= 1.03 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.0306 K(o=-0.031,f=-2.2!) USER MOD Single : A 33 SER OG : rot -21:sc= 0.0677 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0.453 (180deg=0.388) USER MOD Single : A 42 ASN : amide:sc= 0.953 K(o=0.95,f=-0.97) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.33) USER MOD Single : A 52 SER OG : rot 10:sc= 0.447 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 51:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.0171 K(o=0.017,f=-4.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.0883 (180deg=-1.18!) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0147) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 2.660 -5.714 -3.838 1.00 44.53 N ATOM 40 CA GLN A 2 2.920 -6.355 -5.119 1.00 23.11 C ATOM 41 C GLN A 2 3.790 -7.595 -4.904 1.00 74.11 C ATOM 42 O GLN A 2 4.895 -7.695 -5.434 1.00 51.15 O ATOM 43 CB GLN A 2 3.554 -5.337 -6.080 1.00 35.15 C ATOM 44 CG GLN A 2 2.674 -4.094 -6.284 1.00 62.54 C ATOM 45 CD GLN A 2 1.246 -4.445 -6.698 1.00 53.15 C ATOM 46 OE1 GLN A 2 0.321 -4.336 -5.895 1.00 63.32 O ATOM 47 NE2 GLN A 2 1.064 -4.874 -7.949 1.00 2.53 N ATOM 0 HA GLN A 2 1.990 -6.693 -5.577 1.00 23.11 H new ATOM 0 HB2 GLN A 2 4.525 -5.031 -5.691 1.00 35.15 H new ATOM 0 HB3 GLN A 2 3.733 -5.814 -7.044 1.00 35.15 H new ATOM 0 HG2 GLN A 2 2.649 -3.516 -5.360 1.00 62.54 H new ATOM 0 HG3 GLN A 2 3.123 -3.457 -7.046 1.00 62.54 H new ATOM 0 HE21 GLN A 2 1.859 -4.950 -8.583 1.00 2.53 H new ATOM 0 HE22 GLN A 2 0.130 -5.126 -8.271 1.00 2.53 H new ATOM 56 N ARG A 3 3.275 -8.535 -4.104 1.00 72.14 N ATOM 57 CA ARG A 3 3.977 -9.742 -3.696 1.00 61.41 C ATOM 58 C ARG A 3 4.040 -10.735 -4.859 1.00 34.30 C ATOM 59 O ARG A 3 3.047 -10.932 -5.558 1.00 24.30 O ATOM 60 CB ARG A 3 3.262 -10.341 -2.478 1.00 51.03 C ATOM 61 CG ARG A 3 4.187 -11.256 -1.666 1.00 51.04 C ATOM 62 CD ARG A 3 3.423 -11.944 -0.528 1.00 24.31 C ATOM 63 NE ARG A 3 2.811 -10.976 0.392 1.00 12.04 N ATOM 64 CZ ARG A 3 1.992 -11.301 1.406 1.00 32.20 C ATOM 65 NH1 ARG A 3 1.712 -12.583 1.680 1.00 40.03 N ATOM 66 NH2 ARG A 3 1.446 -10.332 2.154 1.00 35.43 N ATOM 0 H ARG A 3 2.334 -8.469 -3.716 1.00 72.14 H new ATOM 0 HA ARG A 3 5.004 -9.505 -3.417 1.00 61.41 H new ATOM 0 HB2 ARG A 3 2.895 -9.537 -1.840 1.00 51.03 H new ATOM 0 HB3 ARG A 3 2.391 -10.907 -2.810 1.00 51.03 H new ATOM 0 HG2 ARG A 3 4.625 -12.009 -2.321 1.00 51.04 H new ATOM 0 HG3 ARG A 3 5.011 -10.673 -1.255 1.00 51.04 H new ATOM 0 HD2 ARG A 3 2.647 -12.584 -0.948 1.00 24.31 H new ATOM 0 HD3 ARG A 3 4.104 -12.590 0.026 1.00 24.31 H new ATOM 0 HE ARG A 3 3.023 -9.988 0.251 1.00 12.04 H new ATOM 0 HH11 ARG A 3 2.123 -13.327 1.115 1.00 40.03 H new ATOM 0 HH12 ARG A 3 1.088 -12.815 2.453 1.00 40.03 H new ATOM 0 HH21 ARG A 3 1.653 -9.354 1.952 1.00 35.43 H new ATOM 0 HH22 ARG A 3 0.823 -10.573 2.925 1.00 35.43 H new ATOM 80 N THR A 4 5.217 -11.338 -5.067 1.00 4.03 N ATOM 81 CA THR A 4 5.521 -12.209 -6.196 1.00 43.33 C ATOM 82 C THR A 4 5.211 -13.676 -5.859 1.00 22.21 C ATOM 83 O THR A 4 5.260 -14.052 -4.688 1.00 31.13 O ATOM 84 CB THR A 4 7.011 -12.053 -6.549 1.00 33.25 C ATOM 85 OG1 THR A 4 7.805 -12.321 -5.411 1.00 1.03 O ATOM 86 CG2 THR A 4 7.333 -10.649 -7.072 1.00 12.12 C ATOM 0 H THR A 4 6.006 -11.226 -4.430 1.00 4.03 H new ATOM 0 HA THR A 4 4.901 -11.925 -7.046 1.00 43.33 H new ATOM 0 HB THR A 4 7.235 -12.767 -7.341 1.00 33.25 H new ATOM 0 HG1 THR A 4 8.752 -12.222 -5.642 1.00 1.03 H new ATOM 0 HG21 THR A 4 8.395 -10.584 -7.309 1.00 12.12 H new ATOM 0 HG22 THR A 4 6.748 -10.452 -7.971 1.00 12.12 H new ATOM 0 HG23 THR A 4 7.085 -9.911 -6.309 1.00 12.12 H new ATOM 94 N PRO A 5 4.926 -14.523 -6.865 1.00 40.34 N ATOM 95 CA PRO A 5 4.712 -15.953 -6.682 1.00 44.33 C ATOM 96 C PRO A 5 6.002 -16.637 -6.216 1.00 1.14 C ATOM 97 O PRO A 5 7.044 -16.501 -6.856 1.00 35.33 O ATOM 98 CB PRO A 5 4.264 -16.489 -8.046 1.00 1.15 C ATOM 99 CG PRO A 5 4.839 -15.480 -9.038 1.00 13.12 C ATOM 100 CD PRO A 5 4.781 -14.166 -8.267 1.00 55.33 C ATOM 0 HA PRO A 5 3.963 -16.152 -5.916 1.00 44.33 H new ATOM 0 HB2 PRO A 5 4.648 -17.493 -8.228 1.00 1.15 H new ATOM 0 HB3 PRO A 5 3.178 -16.546 -8.117 1.00 1.15 H new ATOM 0 HG2 PRO A 5 5.859 -15.734 -9.326 1.00 13.12 H new ATOM 0 HG3 PRO A 5 4.251 -15.436 -9.955 1.00 13.12 H new ATOM 0 HD2 PRO A 5 5.577 -13.492 -8.583 1.00 55.33 H new ATOM 0 HD3 PRO A 5 3.837 -13.650 -8.444 1.00 55.33 H new ATOM 108 N LYS A 6 5.919 -17.378 -5.104 1.00 11.50 N ATOM 109 CA LYS A 6 7.024 -18.125 -4.520 1.00 11.41 C ATOM 110 C LYS A 6 7.096 -19.499 -5.191 1.00 34.52 C ATOM 111 O LYS A 6 6.066 -20.052 -5.562 1.00 71.13 O ATOM 112 CB LYS A 6 6.795 -18.243 -3.007 1.00 2.01 C ATOM 113 CG LYS A 6 8.048 -18.653 -2.221 1.00 24.41 C ATOM 114 CD LYS A 6 9.049 -17.495 -2.094 1.00 25.14 C ATOM 115 CE LYS A 6 10.287 -17.901 -1.288 1.00 15.25 C ATOM 116 NZ LYS A 6 9.957 -18.204 0.116 1.00 3.43 N ATOM 0 H LYS A 6 5.052 -17.473 -4.575 1.00 11.50 H new ATOM 0 HA LYS A 6 7.974 -17.616 -4.682 1.00 11.41 H new ATOM 0 HB2 LYS A 6 6.436 -17.286 -2.628 1.00 2.01 H new ATOM 0 HB3 LYS A 6 6.007 -18.974 -2.824 1.00 2.01 H new ATOM 0 HG2 LYS A 6 7.758 -18.993 -1.227 1.00 24.41 H new ATOM 0 HG3 LYS A 6 8.529 -19.496 -2.718 1.00 24.41 H new ATOM 0 HD2 LYS A 6 9.354 -17.167 -3.088 1.00 25.14 H new ATOM 0 HD3 LYS A 6 8.564 -16.646 -1.613 1.00 25.14 H new ATOM 0 HE2 LYS A 6 10.749 -18.774 -1.748 1.00 15.25 H new ATOM 0 HE3 LYS A 6 11.022 -17.097 -1.322 1.00 15.25 H new ATOM 0 HZ1 LYS A 6 10.835 -18.325 0.661 1.00 3.43 H new ATOM 0 HZ2 LYS A 6 9.404 -17.421 0.519 1.00 3.43 H new ATOM 0 HZ3 LYS A 6 9.399 -19.080 0.160 1.00 3.43 H new ATOM 130 N ILE A 7 8.310 -20.030 -5.376 1.00 32.23 N ATOM 131 CA ILE A 7 8.573 -21.180 -6.230 1.00 63.13 C ATOM 132 C ILE A 7 8.638 -22.464 -5.394 1.00 64.22 C ATOM 133 O ILE A 7 9.534 -22.603 -4.562 1.00 20.25 O ATOM 134 CB ILE A 7 9.883 -20.958 -7.014 1.00 51.13 C ATOM 135 CG1 ILE A 7 9.857 -19.682 -7.881 1.00 55.42 C ATOM 136 CG2 ILE A 7 10.133 -22.161 -7.935 1.00 32.53 C ATOM 137 CD1 ILE A 7 10.345 -18.424 -7.151 1.00 52.44 C ATOM 0 H ILE A 7 9.148 -19.662 -4.926 1.00 32.23 H new ATOM 0 HA ILE A 7 7.758 -21.290 -6.945 1.00 63.13 H new ATOM 0 HB ILE A 7 10.677 -20.845 -6.276 1.00 51.13 H new ATOM 0 HG12 ILE A 7 10.477 -19.841 -8.763 1.00 55.42 H new ATOM 0 HG13 ILE A 7 8.839 -19.514 -8.233 1.00 55.42 H new ATOM 0 HG21 ILE A 7 11.058 -22.008 -8.491 1.00 32.53 H new ATOM 0 HG22 ILE A 7 10.216 -23.067 -7.335 1.00 32.53 H new ATOM 0 HG23 ILE A 7 9.303 -22.263 -8.634 1.00 32.53 H new ATOM 0 HD11 ILE A 7 10.297 -17.570 -7.826 1.00 52.44 H new ATOM 0 HD12 ILE A 7 9.711 -18.237 -6.284 1.00 52.44 H new ATOM 0 HD13 ILE A 7 11.374 -18.570 -6.823 1.00 52.44 H new ATOM 149 N GLN A 8 7.714 -23.406 -5.644 1.00 51.13 N ATOM 150 CA GLN A 8 7.697 -24.739 -5.048 1.00 71.32 C ATOM 151 C GLN A 8 7.115 -25.736 -6.062 1.00 11.53 C ATOM 152 O GLN A 8 5.953 -26.123 -5.949 1.00 13.23 O ATOM 153 CB GLN A 8 6.876 -24.738 -3.746 1.00 54.35 C ATOM 154 CG GLN A 8 7.444 -23.835 -2.644 1.00 43.02 C ATOM 155 CD GLN A 8 6.619 -23.938 -1.362 1.00 21.34 C ATOM 156 OE1 GLN A 8 6.984 -24.669 -0.444 1.00 21.23 O ATOM 157 NE2 GLN A 8 5.508 -23.198 -1.290 1.00 72.41 N ATOM 0 H GLN A 8 6.938 -23.250 -6.287 1.00 51.13 H new ATOM 0 HA GLN A 8 8.715 -25.038 -4.797 1.00 71.32 H new ATOM 0 HB2 GLN A 8 5.858 -24.420 -3.972 1.00 54.35 H new ATOM 0 HB3 GLN A 8 6.814 -25.758 -3.368 1.00 54.35 H new ATOM 0 HG2 GLN A 8 8.477 -24.115 -2.438 1.00 43.02 H new ATOM 0 HG3 GLN A 8 7.457 -22.801 -2.989 1.00 43.02 H new ATOM 0 HE21 GLN A 8 5.239 -22.604 -2.074 1.00 72.41 H new ATOM 0 HE22 GLN A 8 4.929 -23.228 -0.451 1.00 72.41 H new ATOM 166 N VAL A 9 7.916 -26.136 -7.061 1.00 73.45 N ATOM 167 CA VAL A 9 7.495 -27.007 -8.158 1.00 64.33 C ATOM 168 C VAL A 9 8.036 -28.423 -7.954 1.00 60.22 C ATOM 169 O VAL A 9 9.139 -28.744 -8.395 1.00 2.24 O ATOM 170 CB VAL A 9 7.971 -26.428 -9.496 1.00 21.44 C ATOM 171 CG1 VAL A 9 7.479 -27.260 -10.689 1.00 63.51 C ATOM 172 CG2 VAL A 9 7.468 -24.994 -9.678 1.00 41.22 C ATOM 0 H VAL A 9 8.894 -25.855 -7.126 1.00 73.45 H new ATOM 0 HA VAL A 9 6.406 -27.061 -8.171 1.00 64.33 H new ATOM 0 HB VAL A 9 9.060 -26.448 -9.469 1.00 21.44 H new ATOM 0 HG11 VAL A 9 7.839 -26.814 -11.616 1.00 63.51 H new ATOM 0 HG12 VAL A 9 7.859 -28.278 -10.604 1.00 63.51 H new ATOM 0 HG13 VAL A 9 6.389 -27.279 -10.695 1.00 63.51 H new ATOM 0 HG21 VAL A 9 7.818 -24.604 -10.634 1.00 41.22 H new ATOM 0 HG22 VAL A 9 6.378 -24.986 -9.660 1.00 41.22 H new ATOM 0 HG23 VAL A 9 7.849 -24.369 -8.870 1.00 41.22 H new ATOM 182 N TYR A 10 7.241 -29.262 -7.288 1.00 71.13 N ATOM 183 CA TYR A 10 7.584 -30.645 -6.969 1.00 44.11 C ATOM 184 C TYR A 10 6.713 -31.621 -7.760 1.00 33.24 C ATOM 185 O TYR A 10 5.591 -31.286 -8.128 1.00 41.04 O ATOM 186 CB TYR A 10 7.444 -30.887 -5.461 1.00 22.53 C ATOM 187 CG TYR A 10 6.042 -30.775 -4.884 1.00 41.52 C ATOM 188 CD1 TYR A 10 5.294 -31.941 -4.633 1.00 21.31 C ATOM 189 CD2 TYR A 10 5.529 -29.522 -4.496 1.00 75.41 C ATOM 190 CE1 TYR A 10 4.035 -31.853 -4.013 1.00 1.42 C ATOM 191 CE2 TYR A 10 4.263 -29.433 -3.890 1.00 2.40 C ATOM 192 CZ TYR A 10 3.512 -30.599 -3.654 1.00 12.02 C ATOM 193 OH TYR A 10 2.277 -30.515 -3.079 1.00 22.33 O ATOM 0 H TYR A 10 6.319 -28.990 -6.948 1.00 71.13 H new ATOM 0 HA TYR A 10 8.621 -30.820 -7.255 1.00 44.11 H new ATOM 0 HB2 TYR A 10 7.826 -31.883 -5.238 1.00 22.53 H new ATOM 0 HB3 TYR A 10 8.085 -30.176 -4.940 1.00 22.53 H new ATOM 0 HD1 TYR A 10 5.688 -32.905 -4.917 1.00 21.31 H new ATOM 0 HD2 TYR A 10 6.109 -28.627 -4.664 1.00 75.41 H new ATOM 0 HE1 TYR A 10 3.469 -32.751 -3.812 1.00 1.42 H new ATOM 0 HE2 TYR A 10 3.867 -28.469 -3.606 1.00 2.40 H new ATOM 0 HH TYR A 10 2.066 -29.576 -2.892 1.00 22.33 H new ATOM 203 N SER A 11 7.216 -32.838 -7.994 1.00 1.14 N ATOM 204 CA SER A 11 6.451 -33.926 -8.599 1.00 73.12 C ATOM 205 C SER A 11 5.887 -34.836 -7.507 1.00 0.23 C ATOM 206 O SER A 11 6.575 -35.154 -6.538 1.00 61.35 O ATOM 207 CB SER A 11 7.310 -34.707 -9.598 1.00 61.13 C ATOM 208 OG SER A 11 6.645 -35.866 -10.055 1.00 4.20 O ATOM 0 H SER A 11 8.176 -33.095 -7.765 1.00 1.14 H new ATOM 0 HA SER A 11 5.614 -33.504 -9.156 1.00 73.12 H new ATOM 0 HB2 SER A 11 7.555 -34.068 -10.446 1.00 61.13 H new ATOM 0 HB3 SER A 11 8.252 -34.988 -9.128 1.00 61.13 H new ATOM 0 HG SER A 11 6.869 -36.622 -9.473 1.00 4.20 H new ATOM 214 N ARG A 12 4.629 -35.250 -7.687 1.00 54.44 N ATOM 215 CA ARG A 12 3.869 -36.064 -6.754 1.00 40.21 C ATOM 216 C ARG A 12 4.500 -37.453 -6.630 1.00 0.13 C ATOM 217 O ARG A 12 4.898 -37.856 -5.539 1.00 60.33 O ATOM 218 CB ARG A 12 2.406 -36.147 -7.232 1.00 51.04 C ATOM 219 CG ARG A 12 1.452 -36.784 -6.211 1.00 44.32 C ATOM 220 CD ARG A 12 1.346 -36.022 -4.882 1.00 63.12 C ATOM 221 NE ARG A 12 0.915 -34.625 -5.055 1.00 3.14 N ATOM 222 CZ ARG A 12 0.701 -33.774 -4.035 1.00 43.25 C ATOM 223 NH1 ARG A 12 0.933 -34.150 -2.768 1.00 2.30 N ATOM 224 NH2 ARG A 12 0.250 -32.536 -4.276 1.00 3.15 N ATOM 0 H ARG A 12 4.097 -35.013 -8.524 1.00 54.44 H new ATOM 0 HA ARG A 12 3.885 -35.608 -5.764 1.00 40.21 H new ATOM 0 HB2 ARG A 12 2.053 -35.143 -7.466 1.00 51.04 H new ATOM 0 HB3 ARG A 12 2.369 -36.722 -8.157 1.00 51.04 H new ATOM 0 HG2 ARG A 12 0.459 -36.856 -6.655 1.00 44.32 H new ATOM 0 HG3 ARG A 12 1.784 -37.802 -6.007 1.00 44.32 H new ATOM 0 HD2 ARG A 12 0.640 -36.536 -4.229 1.00 63.12 H new ATOM 0 HD3 ARG A 12 2.314 -36.039 -4.381 1.00 63.12 H new ATOM 0 HE ARG A 12 0.770 -34.282 -6.005 1.00 3.14 H new ATOM 0 HH11 ARG A 12 1.275 -35.090 -2.570 1.00 2.30 H new ATOM 0 HH12 ARG A 12 0.767 -33.496 -2.003 1.00 2.30 H new ATOM 0 HH21 ARG A 12 0.068 -32.237 -5.234 1.00 3.15 H new ATOM 0 HH22 ARG A 12 0.088 -31.892 -3.501 1.00 3.15 H new ATOM 238 N HIS A 13 4.586 -38.172 -7.756 1.00 54.53 N ATOM 239 CA HIS A 13 5.142 -39.517 -7.843 1.00 44.43 C ATOM 240 C HIS A 13 6.638 -39.434 -8.160 1.00 15.12 C ATOM 241 O HIS A 13 7.073 -38.440 -8.740 1.00 45.43 O ATOM 242 CB HIS A 13 4.409 -40.278 -8.955 1.00 41.45 C ATOM 243 CG HIS A 13 2.922 -40.362 -8.736 1.00 45.02 C ATOM 244 ND1 HIS A 13 2.323 -41.380 -8.012 1.00 65.35 N ATOM 245 CD2 HIS A 13 1.893 -39.542 -9.127 1.00 65.53 C ATOM 246 CE1 HIS A 13 1.003 -41.128 -7.990 1.00 21.15 C ATOM 247 NE2 HIS A 13 0.676 -40.016 -8.653 1.00 45.45 N ATOM 0 H HIS A 13 4.259 -37.818 -8.655 1.00 54.53 H new ATOM 0 HA HIS A 13 5.014 -40.039 -6.895 1.00 44.43 H new ATOM 0 HB2 HIS A 13 4.602 -39.788 -9.909 1.00 41.45 H new ATOM 0 HB3 HIS A 13 4.817 -41.286 -9.026 1.00 41.45 H new ATOM 0 HD2 HIS A 13 2.013 -38.649 -9.723 1.00 65.53 H new ATOM 0 HE1 HIS A 13 0.283 -41.758 -7.489 1.00 21.15 H new ATOM 0 HE2 HIS A 13 -0.251 -39.610 -8.781 1.00 45.45 H new ATOM 255 N PRO A 14 7.432 -40.465 -7.822 1.00 33.14 N ATOM 256 CA PRO A 14 8.836 -40.549 -8.196 1.00 0.41 C ATOM 257 C PRO A 14 8.967 -40.783 -9.705 1.00 14.40 C ATOM 258 O PRO A 14 8.199 -41.554 -10.279 1.00 12.42 O ATOM 259 CB PRO A 14 9.405 -41.719 -7.390 1.00 31.33 C ATOM 260 CG PRO A 14 8.194 -42.629 -7.186 1.00 31.10 C ATOM 261 CD PRO A 14 7.038 -41.638 -7.054 1.00 75.12 C ATOM 0 HA PRO A 14 9.379 -39.629 -7.981 1.00 0.41 H new ATOM 0 HB2 PRO A 14 10.204 -42.228 -7.929 1.00 31.33 H new ATOM 0 HB3 PRO A 14 9.823 -41.387 -6.440 1.00 31.33 H new ATOM 0 HG2 PRO A 14 8.051 -43.306 -8.028 1.00 31.10 H new ATOM 0 HG3 PRO A 14 8.299 -43.247 -6.295 1.00 31.10 H new ATOM 0 HD2 PRO A 14 6.112 -42.064 -7.439 1.00 75.12 H new ATOM 0 HD3 PRO A 14 6.861 -41.380 -6.010 1.00 75.12 H new ATOM 269 N ALA A 15 9.931 -40.104 -10.340 1.00 3.21 N ATOM 270 CA ALA A 15 10.191 -40.173 -11.774 1.00 12.04 C ATOM 271 C ALA A 15 11.440 -41.020 -12.013 1.00 24.41 C ATOM 272 O ALA A 15 12.365 -40.594 -12.702 1.00 23.40 O ATOM 273 CB ALA A 15 10.348 -38.757 -12.339 1.00 53.35 C ATOM 0 H ALA A 15 10.567 -39.474 -9.851 1.00 3.21 H new ATOM 0 HA ALA A 15 9.354 -40.643 -12.290 1.00 12.04 H new ATOM 0 HB1 ALA A 15 10.542 -38.812 -13.410 1.00 53.35 H new ATOM 0 HB2 ALA A 15 9.432 -38.192 -12.165 1.00 53.35 H new ATOM 0 HB3 ALA A 15 11.182 -38.258 -11.844 1.00 53.35 H new ATOM 279 N GLU A 16 11.458 -42.225 -11.433 1.00 43.03 N ATOM 280 CA GLU A 16 12.549 -43.177 -11.584 1.00 3.01 C ATOM 281 C GLU A 16 12.604 -43.733 -13.007 1.00 64.54 C ATOM 282 O GLU A 16 13.678 -44.010 -13.537 1.00 51.42 O ATOM 283 CB GLU A 16 12.396 -44.285 -10.535 1.00 40.21 C ATOM 284 CG GLU A 16 13.643 -45.170 -10.453 1.00 74.15 C ATOM 285 CD GLU A 16 13.509 -46.191 -9.328 1.00 72.23 C ATOM 286 OE1 GLU A 16 13.715 -45.786 -8.164 1.00 21.25 O ATOM 287 OE2 GLU A 16 13.195 -47.358 -9.650 1.00 64.11 O ATOM 0 H GLU A 16 10.702 -42.565 -10.839 1.00 43.03 H new ATOM 0 HA GLU A 16 13.500 -42.671 -11.417 1.00 3.01 H new ATOM 0 HB2 GLU A 16 12.204 -43.838 -9.560 1.00 40.21 H new ATOM 0 HB3 GLU A 16 11.530 -44.900 -10.780 1.00 40.21 H new ATOM 0 HG2 GLU A 16 13.792 -45.685 -11.402 1.00 74.15 H new ATOM 0 HG3 GLU A 16 14.524 -44.550 -10.285 1.00 74.15 H new ATOM 294 N ASN A 17 11.421 -43.869 -13.606 1.00 23.25 N ATOM 295 CA ASN A 17 11.190 -44.307 -14.972 1.00 52.24 C ATOM 296 C ASN A 17 10.075 -43.454 -15.581 1.00 53.43 C ATOM 297 O ASN A 17 9.247 -42.900 -14.858 1.00 1.20 O ATOM 298 CB ASN A 17 10.824 -45.796 -14.964 1.00 34.42 C ATOM 299 CG ASN A 17 10.586 -46.338 -16.373 1.00 11.32 C ATOM 300 OD1 ASN A 17 11.536 -46.593 -17.109 1.00 52.14 O ATOM 301 ND2 ASN A 17 9.317 -46.508 -16.754 1.00 44.35 N ATOM 0 H ASN A 17 10.550 -43.663 -13.117 1.00 23.25 H new ATOM 0 HA ASN A 17 12.087 -44.183 -15.579 1.00 52.24 H new ATOM 0 HB2 ASN A 17 11.624 -46.363 -14.489 1.00 34.42 H new ATOM 0 HB3 ASN A 17 9.927 -45.945 -14.363 1.00 34.42 H new ATOM 0 HD21 ASN A 17 9.108 -46.862 -17.687 1.00 44.35 H new ATOM 0 HD22 ASN A 17 8.557 -46.284 -16.111 1.00 44.35 H new ATOM 308 N GLY A 18 10.054 -43.361 -16.915 1.00 23.53 N ATOM 309 CA GLY A 18 9.049 -42.621 -17.656 1.00 2.24 C ATOM 310 C GLY A 18 7.677 -43.286 -17.543 1.00 62.43 C ATOM 311 O GLY A 18 7.455 -44.325 -18.162 1.00 62.43 O ATOM 0 H GLY A 18 10.750 -43.808 -17.512 1.00 23.53 H new ATOM 0 HA2 GLY A 18 8.993 -41.600 -17.278 1.00 2.24 H new ATOM 0 HA3 GLY A 18 9.340 -42.557 -18.705 1.00 2.24 H new ATOM 315 N LYS A 19 6.759 -42.693 -16.762 1.00 55.24 N ATOM 316 CA LYS A 19 5.401 -43.199 -16.594 1.00 34.55 C ATOM 317 C LYS A 19 4.446 -42.023 -16.336 1.00 21.13 C ATOM 318 O LYS A 19 4.457 -41.072 -17.113 1.00 25.30 O ATOM 319 CB LYS A 19 5.392 -44.301 -15.518 1.00 21.24 C ATOM 320 CG LYS A 19 4.166 -45.216 -15.659 1.00 3.45 C ATOM 321 CD LYS A 19 4.137 -46.242 -14.520 1.00 65.33 C ATOM 322 CE LYS A 19 3.018 -47.275 -14.709 1.00 44.43 C ATOM 323 NZ LYS A 19 1.681 -46.658 -14.657 1.00 52.23 N ATOM 0 H LYS A 19 6.947 -41.844 -16.229 1.00 55.24 H new ATOM 0 HA LYS A 19 5.034 -43.678 -17.502 1.00 34.55 H new ATOM 0 HB2 LYS A 19 6.302 -44.896 -15.597 1.00 21.24 H new ATOM 0 HB3 LYS A 19 5.395 -43.844 -14.528 1.00 21.24 H new ATOM 0 HG2 LYS A 19 3.254 -44.619 -15.644 1.00 3.45 H new ATOM 0 HG3 LYS A 19 4.195 -45.729 -16.620 1.00 3.45 H new ATOM 0 HD2 LYS A 19 5.098 -46.753 -14.467 1.00 65.33 H new ATOM 0 HD3 LYS A 19 3.998 -45.726 -13.570 1.00 65.33 H new ATOM 0 HE2 LYS A 19 3.148 -47.778 -15.667 1.00 44.43 H new ATOM 0 HE3 LYS A 19 3.095 -48.038 -13.935 1.00 44.43 H new ATOM 0 HZ1 LYS A 19 0.955 -47.393 -14.772 1.00 52.23 H new ATOM 0 HZ2 LYS A 19 1.552 -46.185 -13.740 1.00 52.23 H new ATOM 0 HZ3 LYS A 19 1.591 -45.960 -15.422 1.00 52.23 H new ATOM 337 N SER A 20 3.618 -42.074 -15.280 1.00 72.23 N ATOM 338 CA SER A 20 2.633 -41.049 -14.955 1.00 23.33 C ATOM 339 C SER A 20 3.077 -40.313 -13.692 1.00 32.54 C ATOM 340 O SER A 20 3.238 -40.935 -12.641 1.00 53.53 O ATOM 341 CB SER A 20 1.257 -41.695 -14.751 1.00 1.04 C ATOM 342 OG SER A 20 0.868 -42.412 -15.904 1.00 22.31 O ATOM 0 H SER A 20 3.621 -42.850 -14.618 1.00 72.23 H new ATOM 0 HA SER A 20 2.556 -40.335 -15.775 1.00 23.33 H new ATOM 0 HB2 SER A 20 1.288 -42.366 -13.892 1.00 1.04 H new ATOM 0 HB3 SER A 20 0.518 -40.926 -14.528 1.00 1.04 H new ATOM 0 HG SER A 20 -0.011 -42.819 -15.755 1.00 22.31 H new ATOM 348 N ASN A 21 3.283 -38.995 -13.803 1.00 35.23 N ATOM 349 CA ASN A 21 3.755 -38.141 -12.723 1.00 4.32 C ATOM 350 C ASN A 21 2.996 -36.819 -12.780 1.00 60.51 C ATOM 351 O ASN A 21 3.015 -36.146 -13.806 1.00 73.42 O ATOM 352 CB ASN A 21 5.261 -37.890 -12.877 1.00 53.11 C ATOM 353 CG ASN A 21 6.085 -39.167 -12.723 1.00 73.53 C ATOM 354 OD1 ASN A 21 6.153 -39.986 -13.637 1.00 0.13 O ATOM 355 ND2 ASN A 21 6.723 -39.340 -11.564 1.00 3.23 N ATOM 0 H ASN A 21 3.120 -38.486 -14.672 1.00 35.23 H new ATOM 0 HA ASN A 21 3.581 -38.625 -11.762 1.00 4.32 H new ATOM 0 HB2 ASN A 21 5.455 -37.452 -13.856 1.00 53.11 H new ATOM 0 HB3 ASN A 21 5.583 -37.162 -12.133 1.00 53.11 H new ATOM 0 HD21 ASN A 21 7.291 -40.174 -11.414 1.00 3.23 H new ATOM 0 HD22 ASN A 21 6.643 -38.638 -10.828 1.00 3.23 H new ATOM 362 N PHE A 22 2.337 -36.434 -11.682 1.00 54.03 N ATOM 363 CA PHE A 22 1.654 -35.154 -11.593 1.00 21.10 C ATOM 364 C PHE A 22 2.619 -34.099 -11.067 1.00 33.30 C ATOM 365 O PHE A 22 3.273 -34.322 -10.052 1.00 41.24 O ATOM 366 CB PHE A 22 0.422 -35.260 -10.688 1.00 3.44 C ATOM 367 CG PHE A 22 -0.726 -36.042 -11.296 1.00 52.13 C ATOM 368 CD1 PHE A 22 -1.785 -35.364 -11.930 1.00 40.12 C ATOM 369 CD2 PHE A 22 -0.732 -37.448 -11.242 1.00 33.20 C ATOM 370 CE1 PHE A 22 -2.865 -36.088 -12.464 1.00 4.20 C ATOM 371 CE2 PHE A 22 -1.796 -38.172 -11.803 1.00 53.03 C ATOM 372 CZ PHE A 22 -2.871 -37.493 -12.400 1.00 2.14 C ATOM 0 H PHE A 22 2.266 -37.003 -10.838 1.00 54.03 H new ATOM 0 HA PHE A 22 1.314 -34.862 -12.587 1.00 21.10 H new ATOM 0 HB2 PHE A 22 0.713 -35.732 -9.750 1.00 3.44 H new ATOM 0 HB3 PHE A 22 0.075 -34.256 -10.445 1.00 3.44 H new ATOM 0 HD1 PHE A 22 -1.767 -34.287 -12.006 1.00 40.12 H new ATOM 0 HD2 PHE A 22 0.085 -37.972 -10.767 1.00 33.20 H new ATOM 0 HE1 PHE A 22 -3.691 -35.565 -12.924 1.00 4.20 H new ATOM 0 HE2 PHE A 22 -1.788 -39.252 -11.776 1.00 53.03 H new ATOM 0 HZ PHE A 22 -3.701 -38.049 -12.809 1.00 2.14 H new ATOM 382 N LEU A 23 2.686 -32.940 -11.734 1.00 1.31 N ATOM 383 CA LEU A 23 3.433 -31.792 -11.235 1.00 45.51 C ATOM 384 C LEU A 23 2.635 -31.161 -10.093 1.00 32.23 C ATOM 385 O LEU A 23 1.469 -31.494 -9.892 1.00 14.30 O ATOM 386 CB LEU A 23 3.671 -30.794 -12.382 1.00 53.05 C ATOM 387 CG LEU A 23 4.862 -29.833 -12.193 1.00 43.34 C ATOM 388 CD1 LEU A 23 6.206 -30.574 -12.165 1.00 20.30 C ATOM 389 CD2 LEU A 23 4.884 -28.837 -13.354 1.00 40.34 C ATOM 0 H LEU A 23 2.225 -32.778 -12.629 1.00 1.31 H new ATOM 0 HA LEU A 23 4.409 -32.096 -10.857 1.00 45.51 H new ATOM 0 HB2 LEU A 23 3.824 -31.356 -13.303 1.00 53.05 H new ATOM 0 HB3 LEU A 23 2.767 -30.201 -12.517 1.00 53.05 H new ATOM 0 HG LEU A 23 4.732 -29.328 -11.236 1.00 43.34 H new ATOM 0 HD11 LEU A 23 7.015 -29.856 -12.030 1.00 20.30 H new ATOM 0 HD12 LEU A 23 6.212 -31.286 -11.340 1.00 20.30 H new ATOM 0 HD13 LEU A 23 6.347 -31.107 -13.105 1.00 20.30 H new ATOM 0 HD21 LEU A 23 5.723 -28.152 -13.230 1.00 40.34 H new ATOM 0 HD22 LEU A 23 4.992 -29.377 -14.295 1.00 40.34 H new ATOM 0 HD23 LEU A 23 3.952 -28.271 -13.366 1.00 40.34 H new ATOM 401 N ASN A 24 3.262 -30.261 -9.332 1.00 33.42 N ATOM 402 CA ASN A 24 2.610 -29.500 -8.282 1.00 12.04 C ATOM 403 C ASN A 24 3.254 -28.122 -8.268 1.00 2.41 C ATOM 404 O ASN A 24 4.093 -27.846 -7.411 1.00 74.33 O ATOM 405 CB ASN A 24 2.781 -30.202 -6.930 1.00 24.34 C ATOM 406 CG ASN A 24 2.248 -31.629 -6.952 1.00 0.45 C ATOM 407 OD1 ASN A 24 1.040 -31.850 -6.917 1.00 11.42 O ATOM 408 ND2 ASN A 24 3.159 -32.600 -7.028 1.00 21.33 N ATOM 0 H ASN A 24 4.253 -30.042 -9.436 1.00 33.42 H new ATOM 0 HA ASN A 24 1.539 -29.417 -8.465 1.00 12.04 H new ATOM 0 HB2 ASN A 24 3.837 -30.214 -6.660 1.00 24.34 H new ATOM 0 HB3 ASN A 24 2.261 -29.633 -6.159 1.00 24.34 H new ATOM 0 HD21 ASN A 24 2.863 -33.576 -7.060 1.00 21.33 H new ATOM 0 HD22 ASN A 24 4.152 -32.367 -7.055 1.00 21.33 H new ATOM 415 N CYS A 25 2.870 -27.267 -9.226 1.00 32.53 N ATOM 416 CA CYS A 25 3.371 -25.899 -9.281 1.00 23.34 C ATOM 417 C CYS A 25 2.605 -25.081 -8.241 1.00 51.25 C ATOM 418 O CYS A 25 1.629 -24.399 -8.551 1.00 32.11 O ATOM 419 CB CYS A 25 3.327 -25.342 -10.712 1.00 53.23 C ATOM 420 SG CYS A 25 4.165 -23.742 -10.901 1.00 12.11 S ATOM 0 H CYS A 25 2.214 -27.505 -9.970 1.00 32.53 H new ATOM 0 HA CYS A 25 4.429 -25.850 -9.022 1.00 23.34 H new ATOM 0 HB2 CYS A 25 3.786 -26.064 -11.387 1.00 53.23 H new ATOM 0 HB3 CYS A 25 2.286 -25.235 -11.019 1.00 53.23 H new ATOM 425 N TYR A 26 3.042 -25.238 -6.985 1.00 3.24 N ATOM 426 CA TYR A 26 2.332 -24.859 -5.776 1.00 20.11 C ATOM 427 C TYR A 26 2.800 -23.475 -5.337 1.00 31.41 C ATOM 428 O TYR A 26 3.643 -23.354 -4.450 1.00 2.30 O ATOM 429 CB TYR A 26 2.602 -25.937 -4.716 1.00 11.24 C ATOM 430 CG TYR A 26 1.988 -25.679 -3.354 1.00 74.24 C ATOM 431 CD1 TYR A 26 0.592 -25.713 -3.195 1.00 0.45 C ATOM 432 CD2 TYR A 26 2.814 -25.469 -2.234 1.00 40.24 C ATOM 433 CE1 TYR A 26 0.021 -25.519 -1.926 1.00 51.01 C ATOM 434 CE2 TYR A 26 2.244 -25.273 -0.965 1.00 51.44 C ATOM 435 CZ TYR A 26 0.847 -25.294 -0.811 1.00 11.10 C ATOM 436 OH TYR A 26 0.294 -25.105 0.423 1.00 23.51 O ATOM 0 H TYR A 26 3.950 -25.656 -6.784 1.00 3.24 H new ATOM 0 HA TYR A 26 1.256 -24.797 -5.937 1.00 20.11 H new ATOM 0 HB2 TYR A 26 2.229 -26.891 -5.089 1.00 11.24 H new ATOM 0 HB3 TYR A 26 3.680 -26.042 -4.596 1.00 11.24 H new ATOM 0 HD1 TYR A 26 -0.043 -25.889 -4.050 1.00 0.45 H new ATOM 0 HD2 TYR A 26 3.888 -25.459 -2.350 1.00 40.24 H new ATOM 0 HE1 TYR A 26 -1.052 -25.543 -1.807 1.00 51.01 H new ATOM 0 HE2 TYR A 26 2.879 -25.106 -0.108 1.00 51.44 H new ATOM 0 HH TYR A 26 -0.449 -24.470 0.355 1.00 23.51 H new ATOM 446 N VAL A 27 2.283 -22.429 -5.992 1.00 24.54 N ATOM 447 CA VAL A 27 2.879 -21.105 -5.913 1.00 60.21 C ATOM 448 C VAL A 27 2.101 -20.235 -4.929 1.00 62.14 C ATOM 449 O VAL A 27 0.913 -19.997 -5.117 1.00 11.31 O ATOM 450 CB VAL A 27 3.024 -20.483 -7.316 1.00 43.31 C ATOM 451 CG1 VAL A 27 4.097 -21.237 -8.116 1.00 54.44 C ATOM 452 CG2 VAL A 27 1.736 -20.470 -8.150 1.00 24.10 C ATOM 0 H VAL A 27 1.452 -22.482 -6.581 1.00 24.54 H new ATOM 0 HA VAL A 27 3.893 -21.182 -5.520 1.00 60.21 H new ATOM 0 HB VAL A 27 3.300 -19.444 -7.135 1.00 43.31 H new ATOM 0 HG11 VAL A 27 4.193 -20.791 -9.106 1.00 54.44 H new ATOM 0 HG12 VAL A 27 5.052 -21.172 -7.595 1.00 54.44 H new ATOM 0 HG13 VAL A 27 3.808 -22.283 -8.216 1.00 54.44 H new ATOM 0 HG21 VAL A 27 1.935 -20.014 -9.120 1.00 24.10 H new ATOM 0 HG22 VAL A 27 1.386 -21.492 -8.294 1.00 24.10 H new ATOM 0 HG23 VAL A 27 0.971 -19.894 -7.629 1.00 24.10 H new ATOM 462 N SER A 28 2.767 -19.793 -3.854 1.00 1.23 N ATOM 463 CA SER A 28 2.146 -19.014 -2.792 1.00 15.40 C ATOM 464 C SER A 28 2.501 -17.534 -2.918 1.00 20.53 C ATOM 465 O SER A 28 3.531 -17.185 -3.490 1.00 12.34 O ATOM 466 CB SER A 28 2.600 -19.567 -1.434 1.00 53.15 C ATOM 467 OG SER A 28 3.996 -19.434 -1.277 1.00 52.52 O ATOM 0 H SER A 28 3.760 -19.971 -3.702 1.00 1.23 H new ATOM 0 HA SER A 28 1.062 -19.098 -2.875 1.00 15.40 H new ATOM 0 HB2 SER A 28 2.088 -19.037 -0.631 1.00 53.15 H new ATOM 0 HB3 SER A 28 2.319 -20.617 -1.352 1.00 53.15 H new ATOM 0 HG SER A 28 4.263 -19.791 -0.404 1.00 52.52 H new ATOM 473 N GLY A 29 1.674 -16.663 -2.330 1.00 31.41 N ATOM 474 CA GLY A 29 2.027 -15.267 -2.128 1.00 3.35 C ATOM 475 C GLY A 29 1.960 -14.416 -3.395 1.00 43.34 C ATOM 476 O GLY A 29 2.685 -13.428 -3.480 1.00 43.51 O ATOM 0 H GLY A 29 0.747 -16.911 -1.985 1.00 31.41 H new ATOM 0 HA2 GLY A 29 1.359 -14.839 -1.380 1.00 3.35 H new ATOM 0 HA3 GLY A 29 3.037 -15.214 -1.721 1.00 3.35 H new ATOM 480 N PHE A 30 1.092 -14.756 -4.359 1.00 20.30 N ATOM 481 CA PHE A 30 0.874 -13.914 -5.527 1.00 65.34 C ATOM 482 C PHE A 30 -0.263 -12.932 -5.253 1.00 60.21 C ATOM 483 O PHE A 30 -1.437 -13.291 -5.303 1.00 11.40 O ATOM 484 CB PHE A 30 0.668 -14.740 -6.799 1.00 0.22 C ATOM 485 CG PHE A 30 -0.447 -15.768 -6.792 1.00 55.31 C ATOM 486 CD1 PHE A 30 -0.165 -17.110 -6.474 1.00 13.33 C ATOM 487 CD2 PHE A 30 -1.726 -15.420 -7.268 1.00 4.15 C ATOM 488 CE1 PHE A 30 -1.169 -18.085 -6.602 1.00 31.45 C ATOM 489 CE2 PHE A 30 -2.746 -16.383 -7.319 1.00 12.44 C ATOM 490 CZ PHE A 30 -2.456 -17.721 -7.020 1.00 43.23 C ATOM 0 H PHE A 30 0.533 -15.609 -4.346 1.00 20.30 H new ATOM 0 HA PHE A 30 1.774 -13.328 -5.713 1.00 65.34 H new ATOM 0 HB2 PHE A 30 0.484 -14.050 -7.622 1.00 0.22 H new ATOM 0 HB3 PHE A 30 1.602 -15.258 -7.019 1.00 0.22 H new ATOM 0 HD1 PHE A 30 0.821 -17.390 -6.132 1.00 13.33 H new ATOM 0 HD2 PHE A 30 -1.923 -14.410 -7.595 1.00 4.15 H new ATOM 0 HE1 PHE A 30 -0.948 -19.118 -6.378 1.00 31.45 H new ATOM 0 HE2 PHE A 30 -3.751 -16.094 -7.588 1.00 12.44 H new ATOM 0 HZ PHE A 30 -3.226 -18.473 -7.112 1.00 43.23 H new ATOM 500 N HIS A 31 0.102 -11.685 -4.947 1.00 0.15 N ATOM 501 CA HIS A 31 -0.854 -10.603 -4.733 1.00 5.03 C ATOM 502 C HIS A 31 -0.990 -9.790 -6.026 1.00 62.31 C ATOM 503 O HIS A 31 0.030 -9.421 -6.605 1.00 40.21 O ATOM 504 CB HIS A 31 -0.414 -9.707 -3.573 1.00 54.01 C ATOM 505 CG HIS A 31 -0.658 -10.313 -2.215 1.00 1.53 C ATOM 506 ND1 HIS A 31 -1.387 -9.655 -1.236 1.00 12.00 N ATOM 507 CD2 HIS A 31 -0.322 -11.524 -1.661 1.00 41.52 C ATOM 508 CE1 HIS A 31 -1.444 -10.465 -0.166 1.00 1.30 C ATOM 509 NE2 HIS A 31 -0.810 -11.622 -0.362 1.00 12.51 N ATOM 0 H HIS A 31 1.075 -11.399 -4.841 1.00 0.15 H new ATOM 0 HA HIS A 31 -1.823 -11.028 -4.470 1.00 5.03 H new ATOM 0 HB2 HIS A 31 0.648 -9.487 -3.678 1.00 54.01 H new ATOM 0 HB3 HIS A 31 -0.944 -8.757 -3.638 1.00 54.01 H new ATOM 0 HD1 HIS A 31 -1.803 -8.727 -1.314 1.00 12.00 H new ATOM 0 HD2 HIS A 31 0.243 -12.294 -2.165 1.00 41.52 H new ATOM 0 HE1 HIS A 31 -1.949 -10.207 0.753 1.00 1.30 H new ATOM 517 N PRO A 32 -2.213 -9.477 -6.486 1.00 33.13 N ATOM 518 CA PRO A 32 -3.475 -9.691 -5.797 1.00 4.34 C ATOM 519 C PRO A 32 -3.978 -11.131 -5.951 1.00 31.30 C ATOM 520 O PRO A 32 -4.216 -11.789 -4.943 1.00 11.04 O ATOM 521 CB PRO A 32 -4.442 -8.671 -6.399 1.00 52.23 C ATOM 522 CG PRO A 32 -3.914 -8.445 -7.817 1.00 61.43 C ATOM 523 CD PRO A 32 -2.407 -8.685 -7.690 1.00 64.13 C ATOM 0 HA PRO A 32 -3.372 -9.552 -4.721 1.00 4.34 H new ATOM 0 HB2 PRO A 32 -5.464 -9.050 -6.410 1.00 52.23 H new ATOM 0 HB3 PRO A 32 -4.452 -7.744 -5.825 1.00 52.23 H new ATOM 0 HG2 PRO A 32 -4.370 -9.134 -8.528 1.00 61.43 H new ATOM 0 HG3 PRO A 32 -4.130 -7.436 -8.168 1.00 61.43 H new ATOM 0 HD2 PRO A 32 -2.023 -9.210 -8.565 1.00 64.13 H new ATOM 0 HD3 PRO A 32 -1.868 -7.740 -7.623 1.00 64.13 H new ATOM 531 N SER A 33 -4.155 -11.611 -7.190 1.00 41.03 N ATOM 532 CA SER A 33 -4.719 -12.930 -7.482 1.00 23.50 C ATOM 533 C SER A 33 -4.615 -13.314 -8.969 1.00 22.50 C ATOM 534 O SER A 33 -4.655 -14.501 -9.284 1.00 0.44 O ATOM 535 CB SER A 33 -6.189 -13.007 -7.037 1.00 53.43 C ATOM 536 OG SER A 33 -6.639 -14.345 -7.104 1.00 22.42 O ATOM 0 H SER A 33 -3.906 -11.084 -8.027 1.00 41.03 H new ATOM 0 HA SER A 33 -4.122 -13.644 -6.915 1.00 23.50 H new ATOM 0 HB2 SER A 33 -6.291 -12.630 -6.019 1.00 53.43 H new ATOM 0 HB3 SER A 33 -6.805 -12.374 -7.675 1.00 53.43 H new ATOM 0 HG SER A 33 -6.062 -14.854 -7.711 1.00 22.42 H new ATOM 542 N ASP A 34 -4.539 -12.336 -9.883 1.00 43.23 N ATOM 543 CA ASP A 34 -4.640 -12.521 -11.329 1.00 25.11 C ATOM 544 C ASP A 34 -3.370 -13.126 -11.950 1.00 11.42 C ATOM 545 O ASP A 34 -2.660 -12.465 -12.706 1.00 11.13 O ATOM 546 CB ASP A 34 -5.048 -11.184 -11.979 1.00 52.55 C ATOM 547 CG ASP A 34 -4.073 -10.021 -11.754 1.00 20.14 C ATOM 548 OD1 ASP A 34 -3.169 -10.158 -10.900 1.00 23.35 O ATOM 549 OD2 ASP A 34 -4.265 -8.992 -12.437 1.00 13.33 O ATOM 0 H ASP A 34 -4.400 -11.360 -9.621 1.00 43.23 H new ATOM 0 HA ASP A 34 -5.416 -13.260 -11.531 1.00 25.11 H new ATOM 0 HB2 ASP A 34 -5.160 -11.340 -13.052 1.00 52.55 H new ATOM 0 HB3 ASP A 34 -6.026 -10.896 -11.595 1.00 52.55 H new ATOM 554 N ILE A 35 -3.107 -14.403 -11.644 1.00 13.53 N ATOM 555 CA ILE A 35 -1.925 -15.138 -12.080 1.00 74.15 C ATOM 556 C ILE A 35 -2.225 -15.970 -13.332 1.00 25.45 C ATOM 557 O ILE A 35 -3.378 -16.313 -13.593 1.00 33.40 O ATOM 558 CB ILE A 35 -1.390 -15.995 -10.913 1.00 34.54 C ATOM 559 CG1 ILE A 35 0.052 -16.449 -11.195 1.00 41.15 C ATOM 560 CG2 ILE A 35 -2.330 -17.178 -10.617 1.00 11.42 C ATOM 561 CD1 ILE A 35 0.768 -16.998 -9.959 1.00 64.33 C ATOM 0 H ILE A 35 -3.734 -14.965 -11.068 1.00 13.53 H new ATOM 0 HA ILE A 35 -1.143 -14.433 -12.363 1.00 74.15 H new ATOM 0 HB ILE A 35 -1.367 -15.382 -10.012 1.00 34.54 H new ATOM 0 HG12 ILE A 35 0.039 -17.216 -11.969 1.00 41.15 H new ATOM 0 HG13 ILE A 35 0.620 -15.607 -11.591 1.00 41.15 H new ATOM 0 HG21 ILE A 35 -1.928 -17.764 -9.791 1.00 11.42 H new ATOM 0 HG22 ILE A 35 -3.316 -16.800 -10.348 1.00 11.42 H new ATOM 0 HG23 ILE A 35 -2.412 -17.808 -11.503 1.00 11.42 H new ATOM 0 HD11 ILE A 35 1.780 -17.300 -10.229 1.00 64.33 H new ATOM 0 HD12 ILE A 35 0.812 -16.226 -9.191 1.00 64.33 H new ATOM 0 HD13 ILE A 35 0.222 -17.860 -9.575 1.00 64.33 H new ATOM 573 N GLU A 36 -1.170 -16.311 -14.084 1.00 21.44 N ATOM 574 CA GLU A 36 -1.204 -17.215 -15.225 1.00 55.04 C ATOM 575 C GLU A 36 -0.089 -18.248 -15.051 1.00 2.31 C ATOM 576 O GLU A 36 1.009 -18.098 -15.589 1.00 31.10 O ATOM 577 CB GLU A 36 -1.006 -16.430 -16.521 1.00 44.02 C ATOM 578 CG GLU A 36 -2.175 -15.497 -16.848 1.00 22.31 C ATOM 579 CD GLU A 36 -1.897 -14.728 -18.137 1.00 41.51 C ATOM 580 OE1 GLU A 36 -0.979 -13.879 -18.103 1.00 3.13 O ATOM 581 OE2 GLU A 36 -2.595 -15.010 -19.136 1.00 34.14 O ATOM 0 H GLU A 36 -0.235 -15.946 -13.901 1.00 21.44 H new ATOM 0 HA GLU A 36 -2.170 -17.718 -15.279 1.00 55.04 H new ATOM 0 HB2 GLU A 36 -0.091 -15.842 -16.446 1.00 44.02 H new ATOM 0 HB3 GLU A 36 -0.868 -17.131 -17.345 1.00 44.02 H new ATOM 0 HG2 GLU A 36 -3.092 -16.076 -16.953 1.00 22.31 H new ATOM 0 HG3 GLU A 36 -2.332 -14.798 -16.026 1.00 22.31 H new ATOM 588 N VAL A 37 -0.386 -19.303 -14.290 1.00 32.40 N ATOM 589 CA VAL A 37 0.529 -20.408 -14.032 1.00 42.03 C ATOM 590 C VAL A 37 0.400 -21.435 -15.158 1.00 73.35 C ATOM 591 O VAL A 37 -0.302 -22.438 -15.033 1.00 23.42 O ATOM 592 CB VAL A 37 0.253 -21.030 -12.657 1.00 33.43 C ATOM 593 CG1 VAL A 37 1.331 -22.055 -12.287 1.00 24.31 C ATOM 594 CG2 VAL A 37 0.210 -19.974 -11.552 1.00 32.44 C ATOM 0 H VAL A 37 -1.289 -19.412 -13.828 1.00 32.40 H new ATOM 0 HA VAL A 37 1.555 -20.041 -14.012 1.00 42.03 H new ATOM 0 HB VAL A 37 -0.720 -21.516 -12.734 1.00 33.43 H new ATOM 0 HG11 VAL A 37 1.109 -22.479 -11.308 1.00 24.31 H new ATOM 0 HG12 VAL A 37 1.347 -22.851 -13.032 1.00 24.31 H new ATOM 0 HG13 VAL A 37 2.304 -21.565 -12.258 1.00 24.31 H new ATOM 0 HG21 VAL A 37 0.012 -20.457 -10.595 1.00 32.44 H new ATOM 0 HG22 VAL A 37 1.168 -19.456 -11.506 1.00 32.44 H new ATOM 0 HG23 VAL A 37 -0.581 -19.255 -11.766 1.00 32.44 H new ATOM 604 N ASP A 38 1.106 -21.168 -16.258 1.00 13.20 N ATOM 605 CA ASP A 38 1.252 -22.065 -17.396 1.00 34.24 C ATOM 606 C ASP A 38 2.416 -23.022 -17.112 1.00 33.25 C ATOM 607 O ASP A 38 3.119 -22.865 -16.114 1.00 53.44 O ATOM 608 CB ASP A 38 1.506 -21.194 -18.639 1.00 71.15 C ATOM 609 CG ASP A 38 1.762 -21.982 -19.923 1.00 21.13 C ATOM 610 OD1 ASP A 38 0.811 -22.654 -20.378 1.00 63.11 O ATOM 611 OD2 ASP A 38 2.905 -21.903 -20.424 1.00 0.21 O ATOM 0 H ASP A 38 1.608 -20.289 -16.381 1.00 13.20 H new ATOM 0 HA ASP A 38 0.361 -22.668 -17.568 1.00 34.24 H new ATOM 0 HB2 ASP A 38 0.646 -20.543 -18.793 1.00 71.15 H new ATOM 0 HB3 ASP A 38 2.363 -20.549 -18.446 1.00 71.15 H new ATOM 616 N LEU A 39 2.642 -23.998 -18.000 1.00 32.33 N ATOM 617 CA LEU A 39 3.908 -24.708 -18.076 1.00 5.02 C ATOM 618 C LEU A 39 4.246 -25.068 -19.513 1.00 74.23 C ATOM 619 O LEU A 39 3.358 -25.176 -20.357 1.00 14.01 O ATOM 620 CB LEU A 39 3.952 -25.943 -17.168 1.00 2.35 C ATOM 621 CG LEU A 39 3.178 -27.171 -17.680 1.00 1.14 C ATOM 622 CD1 LEU A 39 3.833 -28.429 -17.099 1.00 51.31 C ATOM 623 CD2 LEU A 39 1.695 -27.096 -17.289 1.00 64.11 C ATOM 0 H LEU A 39 1.950 -24.311 -18.681 1.00 32.33 H new ATOM 0 HA LEU A 39 4.672 -24.025 -17.705 1.00 5.02 H new ATOM 0 HB2 LEU A 39 4.994 -26.227 -17.021 1.00 2.35 H new ATOM 0 HB3 LEU A 39 3.556 -25.668 -16.190 1.00 2.35 H new ATOM 0 HG LEU A 39 3.218 -27.200 -18.769 1.00 1.14 H new ATOM 0 HD11 LEU A 39 3.299 -29.312 -17.450 1.00 51.31 H new ATOM 0 HD12 LEU A 39 4.872 -28.481 -17.423 1.00 51.31 H new ATOM 0 HD13 LEU A 39 3.794 -28.390 -16.010 1.00 51.31 H new ATOM 0 HD21 LEU A 39 1.175 -27.977 -17.665 1.00 64.11 H new ATOM 0 HD22 LEU A 39 1.606 -27.058 -16.203 1.00 64.11 H new ATOM 0 HD23 LEU A 39 1.250 -26.200 -17.721 1.00 64.11 H new ATOM 635 N LEU A 40 5.543 -25.296 -19.739 1.00 52.03 N ATOM 636 CA LEU A 40 6.107 -25.799 -20.980 1.00 33.12 C ATOM 637 C LEU A 40 6.984 -27.017 -20.671 1.00 73.24 C ATOM 638 O LEU A 40 7.382 -27.223 -19.524 1.00 41.52 O ATOM 639 CB LEU A 40 6.943 -24.708 -21.673 1.00 71.42 C ATOM 640 CG LEU A 40 6.233 -23.357 -21.877 1.00 42.05 C ATOM 641 CD1 LEU A 40 7.227 -22.366 -22.494 1.00 60.21 C ATOM 642 CD2 LEU A 40 5.004 -23.461 -22.789 1.00 3.42 C ATOM 0 H LEU A 40 6.253 -25.125 -19.027 1.00 52.03 H new ATOM 0 HA LEU A 40 5.299 -26.088 -21.653 1.00 33.12 H new ATOM 0 HB2 LEU A 40 7.846 -24.539 -21.086 1.00 71.42 H new ATOM 0 HB3 LEU A 40 7.261 -25.082 -22.646 1.00 71.42 H new ATOM 0 HG LEU A 40 5.885 -23.020 -20.901 1.00 42.05 H new ATOM 0 HD11 LEU A 40 6.736 -21.404 -22.644 1.00 60.21 H new ATOM 0 HD12 LEU A 40 8.077 -22.239 -21.824 1.00 60.21 H new ATOM 0 HD13 LEU A 40 7.575 -22.749 -23.453 1.00 60.21 H new ATOM 0 HD21 LEU A 40 4.546 -22.478 -22.895 1.00 3.42 H new ATOM 0 HD22 LEU A 40 5.308 -23.827 -23.769 1.00 3.42 H new ATOM 0 HD23 LEU A 40 4.283 -24.152 -22.351 1.00 3.42 H new ATOM 654 N LYS A 41 7.297 -27.815 -21.700 1.00 22.13 N ATOM 655 CA LYS A 41 8.179 -28.969 -21.590 1.00 63.43 C ATOM 656 C LYS A 41 8.882 -29.180 -22.933 1.00 5.22 C ATOM 657 O LYS A 41 8.330 -29.791 -23.845 1.00 52.45 O ATOM 658 CB LYS A 41 7.408 -30.200 -21.078 1.00 43.03 C ATOM 659 CG LYS A 41 6.304 -30.680 -22.031 1.00 42.21 C ATOM 660 CD LYS A 41 5.251 -31.531 -21.320 1.00 74.51 C ATOM 661 CE LYS A 41 4.159 -32.035 -22.274 1.00 21.12 C ATOM 662 NZ LYS A 41 4.686 -32.973 -23.282 1.00 13.03 N ATOM 0 H LYS A 41 6.936 -27.669 -22.643 1.00 22.13 H new ATOM 0 HA LYS A 41 8.955 -28.795 -20.845 1.00 63.43 H new ATOM 0 HB2 LYS A 41 8.112 -31.015 -20.913 1.00 43.03 H new ATOM 0 HB3 LYS A 41 6.963 -29.962 -20.112 1.00 43.03 H new ATOM 0 HG2 LYS A 41 5.821 -29.816 -22.488 1.00 42.21 H new ATOM 0 HG3 LYS A 41 6.751 -31.260 -22.839 1.00 42.21 H new ATOM 0 HD2 LYS A 41 5.737 -32.384 -20.847 1.00 74.51 H new ATOM 0 HD3 LYS A 41 4.791 -30.944 -20.525 1.00 74.51 H new ATOM 0 HE2 LYS A 41 3.375 -32.527 -21.698 1.00 21.12 H new ATOM 0 HE3 LYS A 41 3.699 -31.185 -22.778 1.00 21.12 H new ATOM 0 HZ1 LYS A 41 3.897 -33.377 -23.826 1.00 13.03 H new ATOM 0 HZ2 LYS A 41 5.328 -32.467 -23.925 1.00 13.03 H new ATOM 0 HZ3 LYS A 41 5.206 -33.738 -22.806 1.00 13.03 H new ATOM 676 N ASN A 42 10.093 -28.621 -23.062 1.00 31.11 N ATOM 677 CA ASN A 42 10.861 -28.610 -24.302 1.00 62.34 C ATOM 678 C ASN A 42 9.993 -28.109 -25.469 1.00 0.23 C ATOM 679 O ASN A 42 9.961 -28.717 -26.538 1.00 54.03 O ATOM 680 CB ASN A 42 11.469 -30.005 -24.534 1.00 11.33 C ATOM 681 CG ASN A 42 12.560 -30.040 -25.606 1.00 21.34 C ATOM 682 OD1 ASN A 42 12.958 -29.010 -26.148 1.00 44.04 O ATOM 683 ND2 ASN A 42 13.058 -31.241 -25.906 1.00 4.00 N ATOM 0 H ASN A 42 10.570 -28.157 -22.289 1.00 31.11 H new ATOM 0 HA ASN A 42 11.692 -27.908 -24.231 1.00 62.34 H new ATOM 0 HB2 ASN A 42 11.886 -30.369 -23.595 1.00 11.33 H new ATOM 0 HB3 ASN A 42 10.673 -30.694 -24.818 1.00 11.33 H new ATOM 0 HD21 ASN A 42 13.795 -31.327 -26.606 1.00 4.00 H new ATOM 0 HD22 ASN A 42 12.702 -32.073 -25.435 1.00 4.00 H new ATOM 690 N GLY A 43 9.263 -27.007 -25.241 1.00 53.55 N ATOM 691 CA GLY A 43 8.391 -26.375 -26.222 1.00 65.14 C ATOM 692 C GLY A 43 6.931 -26.843 -26.141 1.00 42.35 C ATOM 693 O GLY A 43 6.035 -26.047 -26.416 1.00 0.03 O ATOM 0 H GLY A 43 9.268 -26.524 -24.343 1.00 53.55 H new ATOM 0 HA2 GLY A 43 8.425 -25.294 -26.083 1.00 65.14 H new ATOM 0 HA3 GLY A 43 8.774 -26.580 -27.222 1.00 65.14 H new ATOM 697 N GLU A 44 6.670 -28.107 -25.771 1.00 33.41 N ATOM 698 CA GLU A 44 5.315 -28.657 -25.709 1.00 45.34 C ATOM 699 C GLU A 44 4.556 -28.089 -24.505 1.00 0.01 C ATOM 700 O GLU A 44 5.163 -27.466 -23.638 1.00 60.21 O ATOM 701 CB GLU A 44 5.370 -30.189 -25.614 1.00 43.13 C ATOM 702 CG GLU A 44 6.169 -30.855 -26.739 1.00 24.24 C ATOM 703 CD GLU A 44 6.126 -32.377 -26.613 1.00 60.42 C ATOM 704 OE1 GLU A 44 6.501 -32.869 -25.526 1.00 20.52 O ATOM 705 OE2 GLU A 44 5.717 -33.022 -27.602 1.00 25.33 O ATOM 0 H GLU A 44 7.396 -28.773 -25.507 1.00 33.41 H new ATOM 0 HA GLU A 44 4.788 -28.373 -26.620 1.00 45.34 H new ATOM 0 HB2 GLU A 44 5.809 -30.468 -24.656 1.00 43.13 H new ATOM 0 HB3 GLU A 44 4.353 -30.580 -25.624 1.00 43.13 H new ATOM 0 HG2 GLU A 44 5.763 -30.555 -27.705 1.00 24.24 H new ATOM 0 HG3 GLU A 44 7.203 -30.513 -26.707 1.00 24.24 H new ATOM 712 N ARG A 45 3.236 -28.317 -24.437 1.00 44.42 N ATOM 713 CA ARG A 45 2.393 -27.877 -23.329 1.00 14.04 C ATOM 714 C ARG A 45 1.121 -28.733 -23.251 1.00 11.11 C ATOM 715 O ARG A 45 0.621 -29.185 -24.280 1.00 33.43 O ATOM 716 CB ARG A 45 2.074 -26.379 -23.470 1.00 33.11 C ATOM 717 CG ARG A 45 1.282 -26.064 -24.745 1.00 53.03 C ATOM 718 CD ARG A 45 0.995 -24.562 -24.862 1.00 3.25 C ATOM 719 NE ARG A 45 0.052 -24.282 -25.955 1.00 21.14 N ATOM 720 CZ ARG A 45 -1.262 -24.576 -25.938 1.00 24.35 C ATOM 721 NH1 ARG A 45 -1.841 -25.113 -24.854 1.00 54.12 N ATOM 722 NH2 ARG A 45 -2.005 -24.335 -27.026 1.00 53.04 N ATOM 0 H ARG A 45 2.723 -28.819 -25.162 1.00 44.42 H new ATOM 0 HA ARG A 45 2.931 -28.012 -22.391 1.00 14.04 H new ATOM 0 HB2 ARG A 45 1.504 -26.049 -22.601 1.00 33.11 H new ATOM 0 HB3 ARG A 45 3.005 -25.812 -23.475 1.00 33.11 H new ATOM 0 HG2 ARG A 45 1.844 -26.399 -25.617 1.00 53.03 H new ATOM 0 HG3 ARG A 45 0.343 -26.617 -24.739 1.00 53.03 H new ATOM 0 HD2 ARG A 45 0.585 -24.194 -23.922 1.00 3.25 H new ATOM 0 HD3 ARG A 45 1.927 -24.024 -25.036 1.00 3.25 H new ATOM 0 HE ARG A 45 0.422 -23.830 -26.791 1.00 21.14 H new ATOM 0 HH11 ARG A 45 -1.284 -25.306 -24.021 1.00 54.12 H new ATOM 0 HH12 ARG A 45 -2.838 -25.328 -24.862 1.00 54.12 H new ATOM 0 HH21 ARG A 45 -1.575 -23.932 -27.858 1.00 53.04 H new ATOM 0 HH22 ARG A 45 -3.001 -24.555 -27.022 1.00 53.04 H new ATOM 736 N ILE A 46 0.613 -28.965 -22.031 1.00 43.54 N ATOM 737 CA ILE A 46 -0.557 -29.798 -21.771 1.00 75.13 C ATOM 738 C ILE A 46 -1.787 -28.896 -21.658 1.00 15.11 C ATOM 739 O ILE A 46 -1.785 -27.960 -20.859 1.00 25.43 O ATOM 740 CB ILE A 46 -0.398 -30.605 -20.464 1.00 11.22 C ATOM 741 CG1 ILE A 46 0.929 -31.370 -20.324 1.00 40.42 C ATOM 742 CG2 ILE A 46 -1.526 -31.643 -20.364 1.00 22.32 C ATOM 743 CD1 ILE A 46 2.101 -30.481 -19.897 1.00 21.22 C ATOM 0 H ILE A 46 1.018 -28.567 -21.183 1.00 43.54 H new ATOM 0 HA ILE A 46 -0.668 -30.505 -22.593 1.00 75.13 H new ATOM 0 HB ILE A 46 -0.427 -29.858 -19.671 1.00 11.22 H new ATOM 0 HG12 ILE A 46 0.804 -32.169 -19.594 1.00 40.42 H new ATOM 0 HG13 ILE A 46 1.169 -31.843 -21.276 1.00 40.42 H new ATOM 0 HG21 ILE A 46 -1.415 -32.213 -19.442 1.00 22.32 H new ATOM 0 HG22 ILE A 46 -2.490 -31.134 -20.362 1.00 22.32 H new ATOM 0 HG23 ILE A 46 -1.475 -32.319 -21.217 1.00 22.32 H new ATOM 0 HD11 ILE A 46 3.005 -31.084 -19.817 1.00 21.22 H new ATOM 0 HD12 ILE A 46 2.252 -29.697 -20.639 1.00 21.22 H new ATOM 0 HD13 ILE A 46 1.881 -30.028 -18.930 1.00 21.22 H new ATOM 755 N GLU A 47 -2.848 -29.201 -22.417 1.00 15.02 N ATOM 756 CA GLU A 47 -4.128 -28.509 -22.327 1.00 32.23 C ATOM 757 C GLU A 47 -5.051 -29.250 -21.348 1.00 60.23 C ATOM 758 O GLU A 47 -6.181 -29.599 -21.688 1.00 1.53 O ATOM 759 CB GLU A 47 -4.715 -28.387 -23.742 1.00 74.31 C ATOM 760 CG GLU A 47 -5.810 -27.317 -23.828 1.00 13.03 C ATOM 761 CD GLU A 47 -6.240 -27.104 -25.275 1.00 43.12 C ATOM 762 OE1 GLU A 47 -7.279 -27.686 -25.654 1.00 12.20 O ATOM 763 OE2 GLU A 47 -5.514 -26.369 -25.980 1.00 60.33 O ATOM 0 H GLU A 47 -2.835 -29.944 -23.116 1.00 15.02 H new ATOM 0 HA GLU A 47 -4.008 -27.501 -21.931 1.00 32.23 H new ATOM 0 HB2 GLU A 47 -3.917 -28.144 -24.444 1.00 74.31 H new ATOM 0 HB3 GLU A 47 -5.126 -29.349 -24.047 1.00 74.31 H new ATOM 0 HG2 GLU A 47 -6.669 -27.619 -23.228 1.00 13.03 H new ATOM 0 HG3 GLU A 47 -5.443 -26.379 -23.410 1.00 13.03 H new ATOM 770 N LYS A 48 -4.553 -29.505 -20.129 1.00 1.03 N ATOM 771 CA LYS A 48 -5.248 -30.249 -19.086 1.00 24.12 C ATOM 772 C LYS A 48 -4.514 -30.016 -17.763 1.00 11.40 C ATOM 773 O LYS A 48 -3.957 -30.939 -17.172 1.00 21.21 O ATOM 774 CB LYS A 48 -5.345 -31.740 -19.474 1.00 5.12 C ATOM 775 CG LYS A 48 -6.142 -32.629 -18.507 1.00 62.52 C ATOM 776 CD LYS A 48 -7.607 -32.205 -18.359 1.00 1.20 C ATOM 777 CE LYS A 48 -8.328 -33.176 -17.419 1.00 13.42 C ATOM 778 NZ LYS A 48 -9.719 -32.758 -17.180 1.00 32.24 N ATOM 0 H LYS A 48 -3.628 -29.187 -19.840 1.00 1.03 H new ATOM 0 HA LYS A 48 -6.274 -29.901 -18.968 1.00 24.12 H new ATOM 0 HB2 LYS A 48 -5.800 -31.811 -20.462 1.00 5.12 H new ATOM 0 HB3 LYS A 48 -4.335 -32.141 -19.559 1.00 5.12 H new ATOM 0 HG2 LYS A 48 -6.103 -33.660 -18.858 1.00 62.52 H new ATOM 0 HG3 LYS A 48 -5.664 -32.607 -17.527 1.00 62.52 H new ATOM 0 HD2 LYS A 48 -7.665 -31.190 -17.965 1.00 1.20 H new ATOM 0 HD3 LYS A 48 -8.094 -32.197 -19.334 1.00 1.20 H new ATOM 0 HE2 LYS A 48 -8.316 -34.178 -17.849 1.00 13.42 H new ATOM 0 HE3 LYS A 48 -7.794 -33.230 -16.470 1.00 13.42 H new ATOM 0 HZ1 LYS A 48 -10.180 -33.436 -16.540 1.00 32.24 H new ATOM 0 HZ2 LYS A 48 -9.728 -31.812 -16.748 1.00 32.24 H new ATOM 0 HZ3 LYS A 48 -10.233 -32.730 -18.084 1.00 32.24 H new ATOM 792 N VAL A 49 -4.504 -28.756 -17.314 1.00 22.31 N ATOM 793 CA VAL A 49 -3.918 -28.345 -16.047 1.00 32.13 C ATOM 794 C VAL A 49 -5.060 -28.216 -15.036 1.00 12.11 C ATOM 795 O VAL A 49 -6.004 -27.465 -15.280 1.00 52.13 O ATOM 796 CB VAL A 49 -3.165 -27.015 -16.227 1.00 20.42 C ATOM 797 CG1 VAL A 49 -2.368 -26.677 -14.960 1.00 51.41 C ATOM 798 CG2 VAL A 49 -2.197 -27.063 -17.421 1.00 74.22 C ATOM 0 H VAL A 49 -4.913 -27.982 -17.837 1.00 22.31 H new ATOM 0 HA VAL A 49 -3.194 -29.076 -15.688 1.00 32.13 H new ATOM 0 HB VAL A 49 -3.915 -26.247 -16.416 1.00 20.42 H new ATOM 0 HG11 VAL A 49 -1.841 -25.734 -15.103 1.00 51.41 H new ATOM 0 HG12 VAL A 49 -3.050 -26.587 -14.114 1.00 51.41 H new ATOM 0 HG13 VAL A 49 -1.646 -27.470 -14.762 1.00 51.41 H new ATOM 0 HG21 VAL A 49 -1.685 -26.105 -17.513 1.00 74.22 H new ATOM 0 HG22 VAL A 49 -1.463 -27.853 -17.262 1.00 74.22 H new ATOM 0 HG23 VAL A 49 -2.756 -27.265 -18.335 1.00 74.22 H new ATOM 808 N GLU A 50 -4.983 -28.952 -13.921 1.00 4.04 N ATOM 809 CA GLU A 50 -6.011 -28.955 -12.886 1.00 32.30 C ATOM 810 C GLU A 50 -5.554 -28.057 -11.742 1.00 23.41 C ATOM 811 O GLU A 50 -4.423 -28.178 -11.280 1.00 62.22 O ATOM 812 CB GLU A 50 -6.269 -30.372 -12.357 1.00 12.12 C ATOM 813 CG GLU A 50 -7.079 -31.252 -13.317 1.00 44.04 C ATOM 814 CD GLU A 50 -6.307 -31.593 -14.586 1.00 65.24 C ATOM 815 OE1 GLU A 50 -6.604 -30.948 -15.614 1.00 13.51 O ATOM 816 OE2 GLU A 50 -5.440 -32.490 -14.506 1.00 0.30 O ATOM 0 H GLU A 50 -4.196 -29.567 -13.715 1.00 4.04 H new ATOM 0 HA GLU A 50 -6.942 -28.585 -13.315 1.00 32.30 H new ATOM 0 HB2 GLU A 50 -5.313 -30.855 -12.156 1.00 12.12 H new ATOM 0 HB3 GLU A 50 -6.798 -30.304 -11.406 1.00 12.12 H new ATOM 0 HG2 GLU A 50 -7.362 -32.174 -12.809 1.00 44.04 H new ATOM 0 HG3 GLU A 50 -8.003 -30.739 -13.584 1.00 44.04 H new ATOM 823 N HIS A 51 -6.440 -27.165 -11.285 1.00 4.03 N ATOM 824 CA HIS A 51 -6.164 -26.241 -10.197 1.00 5.33 C ATOM 825 C HIS A 51 -7.479 -25.844 -9.523 1.00 34.33 C ATOM 826 O HIS A 51 -8.344 -25.244 -10.159 1.00 24.34 O ATOM 827 CB HIS A 51 -5.389 -25.022 -10.714 1.00 25.53 C ATOM 828 CG HIS A 51 -6.025 -24.316 -11.882 1.00 45.04 C ATOM 829 ND1 HIS A 51 -6.794 -23.173 -11.737 1.00 1.22 N ATOM 830 CD2 HIS A 51 -5.995 -24.568 -13.232 1.00 60.43 C ATOM 831 CE1 HIS A 51 -7.206 -22.816 -12.965 1.00 52.41 C ATOM 832 NE2 HIS A 51 -6.746 -23.623 -13.924 1.00 15.35 N ATOM 0 H HIS A 51 -7.379 -27.069 -11.671 1.00 4.03 H new ATOM 0 HA HIS A 51 -5.534 -26.725 -9.451 1.00 5.33 H new ATOM 0 HB2 HIS A 51 -5.273 -24.310 -9.897 1.00 25.53 H new ATOM 0 HB3 HIS A 51 -4.388 -25.342 -11.003 1.00 25.53 H new ATOM 0 HD2 HIS A 51 -5.462 -25.387 -13.693 1.00 60.43 H new ATOM 0 HE1 HIS A 51 -7.843 -21.965 -13.156 1.00 52.41 H new ATOM 0 HE2 HIS A 51 -6.907 -23.561 -14.929 1.00 15.35 H new ATOM 840 N SER A 52 -7.631 -26.198 -8.241 1.00 14.41 N ATOM 841 CA SER A 52 -8.796 -25.877 -7.425 1.00 13.32 C ATOM 842 C SER A 52 -8.365 -25.877 -5.959 1.00 45.13 C ATOM 843 O SER A 52 -8.599 -26.845 -5.237 1.00 15.22 O ATOM 844 CB SER A 52 -9.930 -26.882 -7.676 1.00 13.31 C ATOM 845 OG SER A 52 -10.489 -26.710 -8.961 1.00 13.03 O ATOM 0 H SER A 52 -6.924 -26.730 -7.734 1.00 14.41 H new ATOM 0 HA SER A 52 -9.182 -24.893 -7.691 1.00 13.32 H new ATOM 0 HB2 SER A 52 -9.548 -27.898 -7.576 1.00 13.31 H new ATOM 0 HB3 SER A 52 -10.705 -26.757 -6.920 1.00 13.31 H new ATOM 0 HG SER A 52 -9.935 -26.089 -9.478 1.00 13.03 H new ATOM 851 N ASP A 53 -7.718 -24.785 -5.534 1.00 45.52 N ATOM 852 CA ASP A 53 -7.158 -24.642 -4.198 1.00 51.44 C ATOM 853 C ASP A 53 -6.963 -23.152 -3.901 1.00 11.02 C ATOM 854 O ASP A 53 -5.859 -22.726 -3.577 1.00 11.20 O ATOM 855 CB ASP A 53 -5.840 -25.440 -4.125 1.00 22.21 C ATOM 856 CG ASP A 53 -5.159 -25.390 -2.756 1.00 13.30 C ATOM 857 OD1 ASP A 53 -3.917 -25.243 -2.746 1.00 73.51 O ATOM 858 OD2 ASP A 53 -5.886 -25.504 -1.746 1.00 72.42 O ATOM 0 H ASP A 53 -7.570 -23.966 -6.124 1.00 45.52 H new ATOM 0 HA ASP A 53 -7.829 -25.043 -3.438 1.00 51.44 H new ATOM 0 HB2 ASP A 53 -6.042 -26.480 -4.381 1.00 22.21 H new ATOM 0 HB3 ASP A 53 -5.151 -25.054 -4.877 1.00 22.21 H new ATOM 863 N LEU A 54 -8.031 -22.348 -4.014 1.00 24.14 N ATOM 864 CA LEU A 54 -7.966 -20.915 -3.742 1.00 24.32 C ATOM 865 C LEU A 54 -8.080 -20.687 -2.239 1.00 73.45 C ATOM 866 O LEU A 54 -9.145 -20.371 -1.709 1.00 3.30 O ATOM 867 CB LEU A 54 -8.980 -20.152 -4.606 1.00 44.24 C ATOM 868 CG LEU A 54 -8.550 -18.694 -4.843 1.00 32.11 C ATOM 869 CD1 LEU A 54 -9.321 -18.127 -6.041 1.00 60.42 C ATOM 870 CD2 LEU A 54 -8.784 -17.790 -3.629 1.00 20.10 C ATOM 0 H LEU A 54 -8.955 -22.676 -4.295 1.00 24.14 H new ATOM 0 HA LEU A 54 -7.001 -20.501 -4.035 1.00 24.32 H new ATOM 0 HB2 LEU A 54 -9.093 -20.658 -5.565 1.00 44.24 H new ATOM 0 HB3 LEU A 54 -9.956 -20.168 -4.120 1.00 44.24 H new ATOM 0 HG LEU A 54 -7.477 -18.708 -5.033 1.00 32.11 H new ATOM 0 HD11 LEU A 54 -9.019 -17.094 -6.212 1.00 60.42 H new ATOM 0 HD12 LEU A 54 -9.102 -18.721 -6.929 1.00 60.42 H new ATOM 0 HD13 LEU A 54 -10.391 -18.163 -5.835 1.00 60.42 H new ATOM 0 HD21 LEU A 54 -8.460 -16.776 -3.863 1.00 20.10 H new ATOM 0 HD22 LEU A 54 -9.845 -17.783 -3.380 1.00 20.10 H new ATOM 0 HD23 LEU A 54 -8.214 -18.167 -2.780 1.00 20.10 H new ATOM 882 N SER A 55 -6.943 -20.908 -1.574 1.00 72.32 N ATOM 883 CA SER A 55 -6.835 -21.086 -0.136 1.00 62.41 C ATOM 884 C SER A 55 -6.126 -19.889 0.492 1.00 71.44 C ATOM 885 O SER A 55 -5.189 -19.347 -0.092 1.00 74.13 O ATOM 886 CB SER A 55 -6.079 -22.387 0.140 1.00 24.20 C ATOM 887 OG SER A 55 -6.099 -22.662 1.523 1.00 51.22 O ATOM 0 H SER A 55 -6.041 -20.969 -2.047 1.00 72.32 H new ATOM 0 HA SER A 55 -7.827 -21.149 0.310 1.00 62.41 H new ATOM 0 HB2 SER A 55 -6.536 -23.209 -0.411 1.00 24.20 H new ATOM 0 HB3 SER A 55 -5.050 -22.302 -0.209 1.00 24.20 H new ATOM 0 HG SER A 55 -5.181 -22.768 1.849 1.00 51.22 H new ATOM 893 N PHE A 56 -6.592 -19.478 1.676 1.00 3.42 N ATOM 894 CA PHE A 56 -6.192 -18.242 2.330 1.00 43.44 C ATOM 895 C PHE A 56 -5.160 -18.531 3.420 1.00 31.34 C ATOM 896 O PHE A 56 -5.422 -19.331 4.317 1.00 4.42 O ATOM 897 CB PHE A 56 -7.438 -17.560 2.909 1.00 23.43 C ATOM 898 CG PHE A 56 -8.600 -17.492 1.932 1.00 23.41 C ATOM 899 CD1 PHE A 56 -8.495 -16.709 0.766 1.00 75.24 C ATOM 900 CD2 PHE A 56 -9.709 -18.343 2.103 1.00 72.25 C ATOM 901 CE1 PHE A 56 -9.499 -16.771 -0.217 1.00 12.32 C ATOM 902 CE2 PHE A 56 -10.709 -18.407 1.118 1.00 32.10 C ATOM 903 CZ PHE A 56 -10.600 -17.627 -0.047 1.00 43.13 C ATOM 0 H PHE A 56 -7.274 -20.013 2.213 1.00 3.42 H new ATOM 0 HA PHE A 56 -5.727 -17.572 1.607 1.00 43.44 H new ATOM 0 HB2 PHE A 56 -7.755 -18.098 3.802 1.00 23.43 H new ATOM 0 HB3 PHE A 56 -7.177 -16.549 3.222 1.00 23.43 H new ATOM 0 HD1 PHE A 56 -7.643 -16.060 0.627 1.00 75.24 H new ATOM 0 HD2 PHE A 56 -9.791 -18.948 2.994 1.00 72.25 H new ATOM 0 HE1 PHE A 56 -9.423 -16.160 -1.104 1.00 12.32 H new ATOM 0 HE2 PHE A 56 -11.562 -19.055 1.256 1.00 32.10 H new ATOM 0 HZ PHE A 56 -11.362 -17.686 -0.810 1.00 43.13 H new ATOM 913 N SER A 57 -3.995 -17.874 3.353 1.00 1.22 N ATOM 914 CA SER A 57 -2.961 -17.970 4.379 1.00 34.35 C ATOM 915 C SER A 57 -3.349 -17.155 5.618 1.00 45.12 C ATOM 916 O SER A 57 -4.410 -16.533 5.658 1.00 35.12 O ATOM 917 CB SER A 57 -1.629 -17.467 3.806 1.00 73.35 C ATOM 918 OG SER A 57 -1.264 -18.230 2.680 1.00 0.52 O ATOM 0 H SER A 57 -3.747 -17.258 2.579 1.00 1.22 H new ATOM 0 HA SER A 57 -2.856 -19.012 4.681 1.00 34.35 H new ATOM 0 HB2 SER A 57 -1.718 -16.416 3.529 1.00 73.35 H new ATOM 0 HB3 SER A 57 -0.850 -17.532 4.566 1.00 73.35 H new ATOM 0 HG SER A 57 -0.984 -17.632 1.956 1.00 0.52 H new ATOM 965 N SER A 61 -3.027 -14.583 1.673 1.00 74.13 N ATOM 966 CA SER A 61 -2.526 -14.836 0.329 1.00 1.21 C ATOM 967 C SER A 61 -3.126 -16.114 -0.258 1.00 71.21 C ATOM 968 O SER A 61 -3.582 -16.988 0.477 1.00 14.21 O ATOM 969 CB SER A 61 -0.999 -14.894 0.330 1.00 65.14 C ATOM 970 OG SER A 61 -0.521 -16.045 0.991 1.00 52.35 O ATOM 0 HA SER A 61 -2.837 -14.008 -0.309 1.00 1.21 H new ATOM 0 HB2 SER A 61 -0.634 -14.886 -0.697 1.00 65.14 H new ATOM 0 HB3 SER A 61 -0.601 -14.003 0.817 1.00 65.14 H new ATOM 0 HG SER A 61 0.459 -16.050 0.971 1.00 52.35 H new ATOM 976 N PHE A 62 -3.154 -16.183 -1.592 1.00 43.42 N ATOM 977 CA PHE A 62 -4.068 -17.032 -2.344 1.00 73.32 C ATOM 978 C PHE A 62 -3.312 -18.199 -2.980 1.00 0.31 C ATOM 979 O PHE A 62 -3.174 -18.263 -4.198 1.00 32.24 O ATOM 980 CB PHE A 62 -4.781 -16.153 -3.381 1.00 13.43 C ATOM 981 CG PHE A 62 -5.387 -14.896 -2.780 1.00 60.21 C ATOM 982 CD1 PHE A 62 -6.644 -14.948 -2.149 1.00 14.34 C ATOM 983 CD2 PHE A 62 -4.620 -13.718 -2.699 1.00 14.14 C ATOM 984 CE1 PHE A 62 -7.159 -13.811 -1.504 1.00 64.41 C ATOM 985 CE2 PHE A 62 -5.121 -12.589 -2.029 1.00 5.21 C ATOM 986 CZ PHE A 62 -6.397 -12.631 -1.441 1.00 71.32 C ATOM 0 H PHE A 62 -2.529 -15.638 -2.186 1.00 43.42 H new ATOM 0 HA PHE A 62 -4.816 -17.478 -1.689 1.00 73.32 H new ATOM 0 HB2 PHE A 62 -4.072 -15.871 -4.159 1.00 13.43 H new ATOM 0 HB3 PHE A 62 -5.568 -16.734 -3.862 1.00 13.43 H new ATOM 0 HD1 PHE A 62 -7.215 -15.865 -2.161 1.00 14.34 H new ATOM 0 HD2 PHE A 62 -3.641 -13.682 -3.154 1.00 14.14 H new ATOM 0 HE1 PHE A 62 -8.141 -13.843 -1.056 1.00 64.41 H new ATOM 0 HE2 PHE A 62 -4.526 -11.690 -1.966 1.00 5.21 H new ATOM 0 HZ PHE A 62 -6.791 -11.758 -0.942 1.00 71.32 H new ATOM 996 N TYR A 63 -2.790 -19.108 -2.149 1.00 63.21 N ATOM 997 CA TYR A 63 -1.844 -20.128 -2.583 1.00 60.15 C ATOM 998 C TYR A 63 -2.538 -21.276 -3.322 1.00 61.31 C ATOM 999 O TYR A 63 -3.347 -21.984 -2.729 1.00 2.00 O ATOM 1000 CB TYR A 63 -1.019 -20.614 -1.383 1.00 11.43 C ATOM 1001 CG TYR A 63 -1.785 -21.318 -0.276 1.00 23.34 C ATOM 1002 CD1 TYR A 63 -2.375 -20.578 0.766 1.00 51.05 C ATOM 1003 CD2 TYR A 63 -1.855 -22.722 -0.256 1.00 1.32 C ATOM 1004 CE1 TYR A 63 -2.991 -21.241 1.842 1.00 0.03 C ATOM 1005 CE2 TYR A 63 -2.483 -23.386 0.811 1.00 41.01 C ATOM 1006 CZ TYR A 63 -3.028 -22.646 1.873 1.00 33.32 C ATOM 1007 OH TYR A 63 -3.596 -23.294 2.933 1.00 64.51 O ATOM 0 H TYR A 63 -3.016 -19.153 -1.155 1.00 63.21 H new ATOM 0 HA TYR A 63 -1.160 -19.684 -3.306 1.00 60.15 H new ATOM 0 HB2 TYR A 63 -0.249 -21.293 -1.750 1.00 11.43 H new ATOM 0 HB3 TYR A 63 -0.507 -19.755 -0.950 1.00 11.43 H new ATOM 0 HD1 TYR A 63 -2.354 -19.499 0.739 1.00 51.05 H new ATOM 0 HD2 TYR A 63 -1.424 -23.293 -1.065 1.00 1.32 H new ATOM 0 HE1 TYR A 63 -3.436 -20.671 2.644 1.00 0.03 H new ATOM 0 HE2 TYR A 63 -2.547 -24.464 0.815 1.00 41.01 H new ATOM 0 HH TYR A 63 -3.538 -24.262 2.794 1.00 64.51 H new ATOM 1017 N LEU A 64 -2.222 -21.448 -4.616 1.00 53.21 N ATOM 1018 CA LEU A 64 -2.851 -22.447 -5.476 1.00 22.32 C ATOM 1019 C LEU A 64 -1.958 -23.675 -5.644 1.00 32.43 C ATOM 1020 O LEU A 64 -0.791 -23.659 -5.259 1.00 22.32 O ATOM 1021 CB LEU A 64 -3.216 -21.832 -6.842 1.00 71.44 C ATOM 1022 CG LEU A 64 -4.737 -21.665 -7.006 1.00 61.24 C ATOM 1023 CD1 LEU A 64 -5.296 -20.578 -6.088 1.00 42.34 C ATOM 1024 CD2 LEU A 64 -5.097 -21.310 -8.451 1.00 34.11 C ATOM 0 H LEU A 64 -1.515 -20.889 -5.093 1.00 53.21 H new ATOM 0 HA LEU A 64 -3.772 -22.777 -4.995 1.00 22.32 H new ATOM 0 HB2 LEU A 64 -2.731 -20.861 -6.945 1.00 71.44 H new ATOM 0 HB3 LEU A 64 -2.832 -22.467 -7.641 1.00 71.44 H new ATOM 0 HG LEU A 64 -5.182 -22.622 -6.734 1.00 61.24 H new ATOM 0 HD11 LEU A 64 -6.373 -20.494 -6.237 1.00 42.34 H new ATOM 0 HD12 LEU A 64 -5.093 -20.839 -5.049 1.00 42.34 H new ATOM 0 HD13 LEU A 64 -4.822 -19.625 -6.322 1.00 42.34 H new ATOM 0 HD21 LEU A 64 -6.178 -21.198 -8.540 1.00 34.11 H new ATOM 0 HD22 LEU A 64 -4.611 -20.374 -8.728 1.00 34.11 H new ATOM 0 HD23 LEU A 64 -4.759 -22.105 -9.116 1.00 34.11 H new ATOM 1036 N LEU A 65 -2.535 -24.724 -6.243 1.00 14.52 N ATOM 1037 CA LEU A 65 -1.902 -25.996 -6.550 1.00 40.11 C ATOM 1038 C LEU A 65 -2.253 -26.346 -7.998 1.00 53.34 C ATOM 1039 O LEU A 65 -3.360 -26.813 -8.256 1.00 62.41 O ATOM 1040 CB LEU A 65 -2.434 -27.051 -5.566 1.00 72.43 C ATOM 1041 CG LEU A 65 -1.888 -28.470 -5.806 1.00 74.33 C ATOM 1042 CD1 LEU A 65 -0.391 -28.584 -5.501 1.00 11.53 C ATOM 1043 CD2 LEU A 65 -2.654 -29.457 -4.920 1.00 2.33 C ATOM 0 H LEU A 65 -3.511 -24.698 -6.540 1.00 14.52 H new ATOM 0 HA LEU A 65 -0.818 -25.953 -6.448 1.00 40.11 H new ATOM 0 HB2 LEU A 65 -2.183 -26.744 -4.551 1.00 72.43 H new ATOM 0 HB3 LEU A 65 -3.522 -27.077 -5.631 1.00 72.43 H new ATOM 0 HG LEU A 65 -2.026 -28.700 -6.862 1.00 74.33 H new ATOM 0 HD11 LEU A 65 -0.058 -29.605 -5.687 1.00 11.53 H new ATOM 0 HD12 LEU A 65 0.164 -27.899 -6.142 1.00 11.53 H new ATOM 0 HD13 LEU A 65 -0.212 -28.329 -4.456 1.00 11.53 H new ATOM 0 HD21 LEU A 65 -2.273 -30.465 -5.084 1.00 2.33 H new ATOM 0 HD22 LEU A 65 -2.521 -29.185 -3.873 1.00 2.33 H new ATOM 0 HD23 LEU A 65 -3.714 -29.425 -5.171 1.00 2.33 H new ATOM 1055 N TYR A 66 -1.328 -26.109 -8.939 1.00 32.25 N ATOM 1056 CA TYR A 66 -1.529 -26.378 -10.360 1.00 63.52 C ATOM 1057 C TYR A 66 -0.892 -27.713 -10.739 1.00 75.51 C ATOM 1058 O TYR A 66 0.315 -27.774 -10.975 1.00 61.13 O ATOM 1059 CB TYR A 66 -0.928 -25.249 -11.205 1.00 41.43 C ATOM 1060 CG TYR A 66 -1.750 -23.979 -11.248 1.00 1.01 C ATOM 1061 CD1 TYR A 66 -2.590 -23.728 -12.349 1.00 52.42 C ATOM 1062 CD2 TYR A 66 -1.631 -23.021 -10.228 1.00 22.33 C ATOM 1063 CE1 TYR A 66 -3.301 -22.520 -12.436 1.00 11.54 C ATOM 1064 CE2 TYR A 66 -2.323 -21.802 -10.326 1.00 0.40 C ATOM 1065 CZ TYR A 66 -3.165 -21.554 -11.425 1.00 44.35 C ATOM 1066 OH TYR A 66 -3.846 -20.374 -11.511 1.00 61.15 O ATOM 0 H TYR A 66 -0.409 -25.720 -8.726 1.00 32.25 H new ATOM 0 HA TYR A 66 -2.600 -26.431 -10.557 1.00 63.52 H new ATOM 0 HB2 TYR A 66 0.062 -25.011 -10.816 1.00 41.43 H new ATOM 0 HB3 TYR A 66 -0.791 -25.611 -12.224 1.00 41.43 H new ATOM 0 HD1 TYR A 66 -2.688 -24.467 -13.130 1.00 52.42 H new ATOM 0 HD2 TYR A 66 -1.008 -23.221 -9.369 1.00 22.33 H new ATOM 0 HE1 TYR A 66 -3.951 -22.334 -13.278 1.00 11.54 H new ATOM 0 HE2 TYR A 66 -2.208 -21.054 -9.556 1.00 0.40 H new ATOM 0 HH TYR A 66 -3.640 -19.820 -10.729 1.00 61.15 H new ATOM 1076 N TYR A 67 -1.713 -28.771 -10.801 1.00 54.41 N ATOM 1077 CA TYR A 67 -1.260 -30.132 -11.029 1.00 71.42 C ATOM 1078 C TYR A 67 -1.713 -30.665 -12.388 1.00 43.22 C ATOM 1079 O TYR A 67 -2.777 -31.269 -12.509 1.00 11.34 O ATOM 1080 CB TYR A 67 -1.657 -31.029 -9.842 1.00 35.10 C ATOM 1081 CG TYR A 67 -3.141 -31.230 -9.578 1.00 40.21 C ATOM 1082 CD1 TYR A 67 -3.892 -30.232 -8.931 1.00 40.04 C ATOM 1083 CD2 TYR A 67 -3.757 -32.454 -9.903 1.00 41.01 C ATOM 1084 CE1 TYR A 67 -5.264 -30.416 -8.690 1.00 44.22 C ATOM 1085 CE2 TYR A 67 -5.128 -32.644 -9.660 1.00 51.13 C ATOM 1086 CZ TYR A 67 -5.885 -31.621 -9.064 1.00 74.14 C ATOM 1087 OH TYR A 67 -7.221 -31.802 -8.848 1.00 73.21 O ATOM 0 H TYR A 67 -2.724 -28.694 -10.691 1.00 54.41 H new ATOM 0 HA TYR A 67 -0.171 -30.139 -11.078 1.00 71.42 H new ATOM 0 HB2 TYR A 67 -1.207 -32.010 -9.997 1.00 35.10 H new ATOM 0 HB3 TYR A 67 -1.209 -30.611 -8.940 1.00 35.10 H new ATOM 0 HD1 TYR A 67 -3.411 -29.318 -8.617 1.00 40.04 H new ATOM 0 HD2 TYR A 67 -3.173 -33.250 -10.341 1.00 41.01 H new ATOM 0 HE1 TYR A 67 -5.840 -29.634 -8.219 1.00 44.22 H new ATOM 0 HE2 TYR A 67 -5.600 -33.577 -9.931 1.00 51.13 H new ATOM 0 HH TYR A 67 -7.487 -32.690 -9.167 1.00 73.21 H new ATOM 1097 N THR A 68 -0.867 -30.483 -13.408 1.00 53.13 N ATOM 1098 CA THR A 68 -0.991 -31.201 -14.670 1.00 41.41 C ATOM 1099 C THR A 68 -0.467 -32.628 -14.495 1.00 25.14 C ATOM 1100 O THR A 68 0.172 -32.927 -13.487 1.00 40.44 O ATOM 1101 CB THR A 68 -0.219 -30.460 -15.769 1.00 31.34 C ATOM 1102 OG1 THR A 68 -0.582 -30.970 -17.034 1.00 74.14 O ATOM 1103 CG2 THR A 68 1.301 -30.576 -15.614 1.00 45.22 C ATOM 0 H THR A 68 -0.081 -29.834 -13.377 1.00 53.13 H new ATOM 0 HA THR A 68 -2.039 -31.250 -14.967 1.00 41.41 H new ATOM 0 HB THR A 68 -0.484 -29.407 -15.679 1.00 31.34 H new ATOM 0 HG1 THR A 68 -1.559 -30.980 -17.115 1.00 74.14 H new ATOM 0 HG21 THR A 68 1.792 -30.032 -16.421 1.00 45.22 H new ATOM 0 HG22 THR A 68 1.602 -30.154 -14.655 1.00 45.22 H new ATOM 0 HG23 THR A 68 1.592 -31.626 -15.655 1.00 45.22 H new ATOM 1111 N GLU A 69 -0.703 -33.484 -15.497 1.00 63.44 N ATOM 1112 CA GLU A 69 -0.162 -34.833 -15.571 1.00 33.31 C ATOM 1113 C GLU A 69 0.900 -34.858 -16.672 1.00 15.01 C ATOM 1114 O GLU A 69 0.568 -35.014 -17.847 1.00 4.11 O ATOM 1115 CB GLU A 69 -1.300 -35.837 -15.814 1.00 64.41 C ATOM 1116 CG GLU A 69 -0.903 -37.276 -15.452 1.00 24.24 C ATOM 1117 CD GLU A 69 0.229 -37.827 -16.315 1.00 74.41 C ATOM 1118 OE1 GLU A 69 -0.042 -38.114 -17.501 1.00 40.22 O ATOM 1119 OE2 GLU A 69 1.348 -37.950 -15.771 1.00 63.15 O ATOM 0 H GLU A 69 -1.291 -33.245 -16.295 1.00 63.44 H new ATOM 0 HA GLU A 69 0.312 -35.125 -14.634 1.00 33.31 H new ATOM 0 HB2 GLU A 69 -2.170 -35.545 -15.226 1.00 64.41 H new ATOM 0 HB3 GLU A 69 -1.597 -35.798 -16.862 1.00 64.41 H new ATOM 0 HG2 GLU A 69 -0.601 -37.310 -14.405 1.00 24.24 H new ATOM 0 HG3 GLU A 69 -1.775 -37.922 -15.553 1.00 24.24 H new ATOM 1126 N PHE A 70 2.174 -34.690 -16.292 1.00 74.34 N ATOM 1127 CA PHE A 70 3.293 -34.704 -17.225 1.00 11.55 C ATOM 1128 C PHE A 70 3.900 -36.107 -17.302 1.00 13.25 C ATOM 1129 O PHE A 70 4.080 -36.766 -16.280 1.00 52.01 O ATOM 1130 CB PHE A 70 4.339 -33.648 -16.835 1.00 55.04 C ATOM 1131 CG PHE A 70 5.240 -34.007 -15.667 1.00 73.53 C ATOM 1132 CD1 PHE A 70 6.518 -34.547 -15.903 1.00 40.42 C ATOM 1133 CD2 PHE A 70 4.794 -33.826 -14.347 1.00 51.15 C ATOM 1134 CE1 PHE A 70 7.366 -34.848 -14.824 1.00 45.21 C ATOM 1135 CE2 PHE A 70 5.626 -34.169 -13.266 1.00 72.42 C ATOM 1136 CZ PHE A 70 6.914 -34.674 -13.507 1.00 60.11 C ATOM 0 H PHE A 70 2.452 -34.540 -15.322 1.00 74.34 H new ATOM 0 HA PHE A 70 2.929 -34.445 -18.219 1.00 11.55 H new ATOM 0 HB2 PHE A 70 4.966 -33.447 -17.704 1.00 55.04 H new ATOM 0 HB3 PHE A 70 3.819 -32.720 -16.596 1.00 55.04 H new ATOM 0 HD1 PHE A 70 6.847 -34.730 -16.915 1.00 40.42 H new ATOM 0 HD2 PHE A 70 3.810 -33.422 -14.162 1.00 51.15 H new ATOM 0 HE1 PHE A 70 8.366 -35.213 -15.008 1.00 45.21 H new ATOM 0 HE2 PHE A 70 5.275 -34.044 -12.252 1.00 72.42 H new ATOM 0 HZ PHE A 70 7.557 -34.929 -12.678 1.00 60.11 H new ATOM 1146 N THR A 71 4.233 -36.550 -18.518 1.00 11.32 N ATOM 1147 CA THR A 71 4.916 -37.810 -18.771 1.00 4.03 C ATOM 1148 C THR A 71 6.418 -37.527 -18.888 1.00 33.10 C ATOM 1149 O THR A 71 6.837 -37.003 -19.920 1.00 40.11 O ATOM 1150 CB THR A 71 4.355 -38.430 -20.062 1.00 53.43 C ATOM 1151 OG1 THR A 71 2.965 -38.631 -19.911 1.00 15.32 O ATOM 1152 CG2 THR A 71 5.009 -39.778 -20.389 1.00 73.43 C ATOM 0 H THR A 71 4.028 -36.026 -19.369 1.00 11.32 H new ATOM 0 HA THR A 71 4.756 -38.519 -17.959 1.00 4.03 H new ATOM 0 HB THR A 71 4.570 -37.741 -20.879 1.00 53.43 H new ATOM 0 HG1 THR A 71 2.600 -39.024 -20.731 1.00 15.32 H new ATOM 0 HG21 THR A 71 4.581 -40.177 -21.309 1.00 73.43 H new ATOM 0 HG22 THR A 71 6.082 -39.640 -20.519 1.00 73.43 H new ATOM 0 HG23 THR A 71 4.829 -40.477 -19.572 1.00 73.43 H new ATOM 1160 N PRO A 72 7.246 -37.853 -17.878 1.00 54.41 N ATOM 1161 CA PRO A 72 8.682 -37.661 -17.963 1.00 53.25 C ATOM 1162 C PRO A 72 9.276 -38.582 -19.032 1.00 52.04 C ATOM 1163 O PRO A 72 9.065 -39.791 -19.009 1.00 20.10 O ATOM 1164 CB PRO A 72 9.242 -37.940 -16.569 1.00 32.11 C ATOM 1165 CG PRO A 72 8.187 -38.821 -15.909 1.00 60.43 C ATOM 1166 CD PRO A 72 6.883 -38.394 -16.578 1.00 34.23 C ATOM 0 HA PRO A 72 8.942 -36.646 -18.265 1.00 53.25 H new ATOM 0 HB2 PRO A 72 10.206 -38.445 -16.621 1.00 32.11 H new ATOM 0 HB3 PRO A 72 9.396 -37.017 -16.010 1.00 32.11 H new ATOM 0 HG2 PRO A 72 8.392 -39.879 -16.071 1.00 60.43 H new ATOM 0 HG3 PRO A 72 8.153 -38.664 -14.831 1.00 60.43 H new ATOM 0 HD2 PRO A 72 6.206 -39.242 -16.685 1.00 34.23 H new ATOM 0 HD3 PRO A 72 6.365 -37.646 -15.977 1.00 34.23 H new ATOM 1174 N THR A 73 10.002 -37.986 -19.982 1.00 33.13 N ATOM 1175 CA THR A 73 10.660 -38.677 -21.084 1.00 52.02 C ATOM 1176 C THR A 73 11.985 -39.309 -20.629 1.00 71.43 C ATOM 1177 O THR A 73 12.544 -40.133 -21.351 1.00 51.21 O ATOM 1178 CB THR A 73 10.873 -37.668 -22.228 1.00 52.34 C ATOM 1179 OG1 THR A 73 9.668 -36.971 -22.471 1.00 43.14 O ATOM 1180 CG2 THR A 73 11.300 -38.327 -23.543 1.00 20.22 C ATOM 0 H THR A 73 10.150 -36.977 -20.002 1.00 33.13 H new ATOM 0 HA THR A 73 10.034 -39.496 -21.437 1.00 52.02 H new ATOM 0 HB THR A 73 11.673 -37.003 -21.905 1.00 52.34 H new ATOM 0 HG1 THR A 73 9.524 -36.310 -21.762 1.00 43.14 H new ATOM 0 HG21 THR A 73 11.433 -37.561 -24.307 1.00 20.22 H new ATOM 0 HG22 THR A 73 12.240 -38.859 -23.395 1.00 20.22 H new ATOM 0 HG23 THR A 73 10.531 -39.030 -23.864 1.00 20.22 H new ATOM 1188 N GLU A 74 12.492 -38.917 -19.449 1.00 2.13 N ATOM 1189 CA GLU A 74 13.807 -39.275 -18.936 1.00 34.35 C ATOM 1190 C GLU A 74 14.888 -38.755 -19.886 1.00 4.05 C ATOM 1191 O GLU A 74 15.759 -39.503 -20.328 1.00 60.51 O ATOM 1192 CB GLU A 74 13.918 -40.787 -18.655 1.00 72.53 C ATOM 1193 CG GLU A 74 12.768 -41.359 -17.811 1.00 62.51 C ATOM 1194 CD GLU A 74 12.778 -40.841 -16.374 1.00 45.32 C ATOM 1195 OE1 GLU A 74 13.293 -41.580 -15.508 1.00 74.55 O ATOM 1196 OE2 GLU A 74 12.273 -39.719 -16.164 1.00 12.43 O ATOM 0 H GLU A 74 11.970 -38.319 -18.808 1.00 2.13 H new ATOM 0 HA GLU A 74 13.959 -38.793 -17.970 1.00 34.35 H new ATOM 0 HB2 GLU A 74 13.956 -41.320 -19.605 1.00 72.53 H new ATOM 0 HB3 GLU A 74 14.861 -40.981 -18.143 1.00 72.53 H new ATOM 0 HG2 GLU A 74 11.817 -41.103 -18.279 1.00 62.51 H new ATOM 0 HG3 GLU A 74 12.836 -42.447 -17.801 1.00 62.51 H new ATOM 1203 N LYS A 75 14.794 -37.458 -20.207 1.00 25.23 N ATOM 1204 CA LYS A 75 15.603 -36.768 -21.201 1.00 0.21 C ATOM 1205 C LYS A 75 15.275 -35.273 -21.169 1.00 20.51 C ATOM 1206 O LYS A 75 16.180 -34.441 -21.202 1.00 42.22 O ATOM 1207 CB LYS A 75 15.327 -37.353 -22.597 1.00 51.01 C ATOM 1208 CG LYS A 75 16.097 -36.601 -23.694 1.00 53.22 C ATOM 1209 CD LYS A 75 15.970 -37.275 -25.066 1.00 0.23 C ATOM 1210 CE LYS A 75 14.557 -37.151 -25.648 1.00 61.21 C ATOM 1211 NZ LYS A 75 14.475 -37.763 -26.984 1.00 5.22 N ATOM 0 H LYS A 75 14.119 -36.840 -19.756 1.00 25.23 H new ATOM 0 HA LYS A 75 16.660 -36.904 -20.974 1.00 0.21 H new ATOM 0 HB2 LYS A 75 15.609 -38.406 -22.612 1.00 51.01 H new ATOM 0 HB3 LYS A 75 14.258 -37.306 -22.806 1.00 51.01 H new ATOM 0 HG2 LYS A 75 15.725 -35.578 -23.759 1.00 53.22 H new ATOM 0 HG3 LYS A 75 17.150 -36.540 -23.418 1.00 53.22 H new ATOM 0 HD2 LYS A 75 16.685 -36.827 -25.756 1.00 0.23 H new ATOM 0 HD3 LYS A 75 16.232 -38.329 -24.976 1.00 0.23 H new ATOM 0 HE2 LYS A 75 13.843 -37.632 -24.980 1.00 61.21 H new ATOM 0 HE3 LYS A 75 14.277 -36.099 -25.709 1.00 61.21 H new ATOM 0 HZ1 LYS A 75 13.508 -37.664 -27.352 1.00 5.22 H new ATOM 0 HZ2 LYS A 75 15.140 -37.286 -27.626 1.00 5.22 H new ATOM 0 HZ3 LYS A 75 14.719 -38.772 -26.919 1.00 5.22 H new ATOM 1225 N ASP A 76 13.977 -34.944 -21.145 1.00 34.11 N ATOM 1226 CA ASP A 76 13.465 -33.593 -21.355 1.00 51.41 C ATOM 1227 C ASP A 76 13.370 -32.820 -20.037 1.00 40.43 C ATOM 1228 O ASP A 76 13.392 -33.412 -18.959 1.00 61.33 O ATOM 1229 CB ASP A 76 12.094 -33.668 -22.041 1.00 4.40 C ATOM 1230 CG ASP A 76 12.193 -34.106 -23.502 1.00 75.11 C ATOM 1231 OD1 ASP A 76 11.806 -33.291 -24.365 1.00 43.43 O ATOM 1232 OD2 ASP A 76 12.643 -35.247 -23.737 1.00 43.12 O ATOM 0 H ASP A 76 13.241 -35.629 -20.975 1.00 34.11 H new ATOM 0 HA ASP A 76 14.161 -33.053 -21.997 1.00 51.41 H new ATOM 0 HB2 ASP A 76 11.458 -34.367 -21.498 1.00 4.40 H new ATOM 0 HB3 ASP A 76 11.612 -32.692 -21.990 1.00 4.40 H new ATOM 1237 N GLU A 77 13.269 -31.488 -20.148 1.00 24.10 N ATOM 1238 CA GLU A 77 13.162 -30.559 -19.030 1.00 2.44 C ATOM 1239 C GLU A 77 11.736 -30.008 -18.935 1.00 22.53 C ATOM 1240 O GLU A 77 11.207 -29.469 -19.905 1.00 40.03 O ATOM 1241 CB GLU A 77 14.216 -29.443 -19.153 1.00 21.11 C ATOM 1242 CG GLU A 77 14.131 -28.602 -20.437 1.00 1.12 C ATOM 1243 CD GLU A 77 15.242 -27.556 -20.476 1.00 40.24 C ATOM 1244 OE1 GLU A 77 15.061 -26.509 -19.818 1.00 64.32 O ATOM 1245 OE2 GLU A 77 16.253 -27.822 -21.161 1.00 1.50 O ATOM 0 H GLU A 77 13.260 -31.018 -21.053 1.00 24.10 H new ATOM 0 HA GLU A 77 13.367 -31.089 -18.100 1.00 2.44 H new ATOM 0 HB2 GLU A 77 14.120 -28.778 -18.295 1.00 21.11 H new ATOM 0 HB3 GLU A 77 15.207 -29.893 -19.097 1.00 21.11 H new ATOM 0 HG2 GLU A 77 14.207 -29.252 -21.308 1.00 1.12 H new ATOM 0 HG3 GLU A 77 13.160 -28.110 -20.491 1.00 1.12 H new ATOM 1252 N TYR A 78 11.116 -30.170 -17.760 1.00 31.41 N ATOM 1253 CA TYR A 78 9.757 -29.737 -17.458 1.00 34.44 C ATOM 1254 C TYR A 78 9.841 -28.438 -16.657 1.00 11.51 C ATOM 1255 O TYR A 78 10.689 -28.323 -15.773 1.00 64.12 O ATOM 1256 CB TYR A 78 9.033 -30.849 -16.682 1.00 55.22 C ATOM 1257 CG TYR A 78 8.956 -32.156 -17.455 1.00 24.45 C ATOM 1258 CD1 TYR A 78 7.820 -32.438 -18.236 1.00 3.24 C ATOM 1259 CD2 TYR A 78 10.094 -32.981 -17.565 1.00 5.42 C ATOM 1260 CE1 TYR A 78 7.849 -33.493 -19.164 1.00 73.33 C ATOM 1261 CE2 TYR A 78 10.140 -33.997 -18.534 1.00 52.24 C ATOM 1262 CZ TYR A 78 9.034 -34.213 -19.371 1.00 52.32 C ATOM 1263 OH TYR A 78 9.102 -35.118 -20.386 1.00 54.52 O ATOM 0 H TYR A 78 11.569 -30.624 -16.967 1.00 31.41 H new ATOM 0 HA TYR A 78 9.186 -29.548 -18.367 1.00 34.44 H new ATOM 0 HB2 TYR A 78 9.549 -31.021 -15.737 1.00 55.22 H new ATOM 0 HB3 TYR A 78 8.024 -30.517 -16.438 1.00 55.22 H new ATOM 0 HD1 TYR A 78 6.926 -31.844 -18.122 1.00 3.24 H new ATOM 0 HD2 TYR A 78 10.933 -32.831 -16.902 1.00 5.42 H new ATOM 0 HE1 TYR A 78 6.958 -33.749 -19.718 1.00 73.33 H new ATOM 0 HE2 TYR A 78 11.023 -34.610 -18.635 1.00 52.24 H new ATOM 0 HH TYR A 78 8.379 -35.772 -20.290 1.00 54.52 H new ATOM 1273 N ALA A 79 9.010 -27.443 -16.995 1.00 43.41 N ATOM 1274 CA ALA A 79 9.194 -26.086 -16.499 1.00 20.40 C ATOM 1275 C ALA A 79 7.870 -25.347 -16.338 1.00 44.54 C ATOM 1276 O ALA A 79 7.231 -25.005 -17.331 1.00 40.13 O ATOM 1277 CB ALA A 79 10.109 -25.330 -17.464 1.00 13.34 C ATOM 0 H ALA A 79 8.205 -27.560 -17.611 1.00 43.41 H new ATOM 0 HA ALA A 79 9.647 -26.140 -15.509 1.00 20.40 H new ATOM 0 HB1 ALA A 79 10.255 -24.312 -17.104 1.00 13.34 H new ATOM 0 HB2 ALA A 79 11.073 -25.836 -17.523 1.00 13.34 H new ATOM 0 HB3 ALA A 79 9.652 -25.303 -18.453 1.00 13.34 H new ATOM 1283 N CYS A 80 7.497 -25.044 -15.086 1.00 33.32 N ATOM 1284 CA CYS A 80 6.366 -24.180 -14.783 1.00 0.43 C ATOM 1285 C CYS A 80 6.701 -22.740 -15.190 1.00 44.04 C ATOM 1286 O CYS A 80 7.713 -22.190 -14.756 1.00 35.31 O ATOM 1287 CB CYS A 80 5.994 -24.285 -13.301 1.00 61.21 C ATOM 1288 SG CYS A 80 4.408 -23.498 -12.917 1.00 3.01 S ATOM 0 H CYS A 80 7.978 -25.396 -14.259 1.00 33.32 H new ATOM 0 HA CYS A 80 5.495 -24.500 -15.355 1.00 0.43 H new ATOM 0 HB2 CYS A 80 5.951 -25.336 -13.016 1.00 61.21 H new ATOM 0 HB3 CYS A 80 6.778 -23.823 -12.701 1.00 61.21 H new ATOM 1293 N ARG A 81 5.863 -22.159 -16.056 1.00 12.21 N ATOM 1294 CA ARG A 81 6.071 -20.876 -16.706 1.00 63.12 C ATOM 1295 C ARG A 81 5.234 -19.842 -15.956 1.00 51.11 C ATOM 1296 O ARG A 81 4.074 -19.608 -16.299 1.00 24.13 O ATOM 1297 CB ARG A 81 5.651 -20.989 -18.180 1.00 2.01 C ATOM 1298 CG ARG A 81 6.114 -19.760 -18.974 1.00 54.03 C ATOM 1299 CD ARG A 81 5.155 -19.398 -20.112 1.00 12.04 C ATOM 1300 NE ARG A 81 3.934 -18.776 -19.585 1.00 63.15 N ATOM 1301 CZ ARG A 81 2.841 -18.453 -20.296 1.00 63.21 C ATOM 1302 NH1 ARG A 81 2.728 -18.796 -21.588 1.00 45.21 N ATOM 1303 NH2 ARG A 81 1.849 -17.775 -19.701 1.00 60.53 N ATOM 0 H ARG A 81 4.983 -22.597 -16.330 1.00 12.21 H new ATOM 0 HA ARG A 81 7.118 -20.573 -16.684 1.00 63.12 H new ATOM 0 HB2 ARG A 81 6.078 -21.892 -18.616 1.00 2.01 H new ATOM 0 HB3 ARG A 81 4.567 -21.084 -18.248 1.00 2.01 H new ATOM 0 HG2 ARG A 81 6.207 -18.910 -18.298 1.00 54.03 H new ATOM 0 HG3 ARG A 81 7.105 -19.950 -19.386 1.00 54.03 H new ATOM 0 HD2 ARG A 81 5.647 -18.715 -20.805 1.00 12.04 H new ATOM 0 HD3 ARG A 81 4.898 -20.294 -20.676 1.00 12.04 H new ATOM 0 HE ARG A 81 3.914 -18.570 -18.586 1.00 63.15 H new ATOM 0 HH11 ARG A 81 3.480 -19.311 -22.047 1.00 45.21 H new ATOM 0 HH12 ARG A 81 1.890 -18.542 -22.112 1.00 45.21 H new ATOM 0 HH21 ARG A 81 1.929 -17.510 -18.719 1.00 60.53 H new ATOM 0 HH22 ARG A 81 1.014 -17.524 -20.230 1.00 60.53 H new ATOM 1317 N VAL A 82 5.808 -19.265 -14.898 1.00 42.34 N ATOM 1318 CA VAL A 82 5.050 -18.484 -13.938 1.00 4.31 C ATOM 1319 C VAL A 82 4.968 -17.037 -14.424 1.00 31.25 C ATOM 1320 O VAL A 82 5.931 -16.281 -14.292 1.00 71.34 O ATOM 1321 CB VAL A 82 5.671 -18.618 -12.538 1.00 62.51 C ATOM 1322 CG1 VAL A 82 4.801 -17.883 -11.517 1.00 0.33 C ATOM 1323 CG2 VAL A 82 5.775 -20.089 -12.112 1.00 5.34 C ATOM 0 H VAL A 82 6.804 -19.329 -14.690 1.00 42.34 H new ATOM 0 HA VAL A 82 4.030 -18.860 -13.858 1.00 4.31 H new ATOM 0 HB VAL A 82 6.671 -18.186 -12.576 1.00 62.51 H new ATOM 0 HG11 VAL A 82 5.243 -17.980 -10.525 1.00 0.33 H new ATOM 0 HG12 VAL A 82 4.738 -16.828 -11.785 1.00 0.33 H new ATOM 0 HG13 VAL A 82 3.801 -18.317 -11.512 1.00 0.33 H new ATOM 0 HG21 VAL A 82 6.218 -20.149 -11.118 1.00 5.34 H new ATOM 0 HG22 VAL A 82 4.780 -20.534 -12.093 1.00 5.34 H new ATOM 0 HG23 VAL A 82 6.401 -20.630 -12.822 1.00 5.34 H new ATOM 1333 N ASN A 83 3.807 -16.668 -14.980 1.00 21.24 N ATOM 1334 CA ASN A 83 3.491 -15.316 -15.417 1.00 52.14 C ATOM 1335 C ASN A 83 2.512 -14.708 -14.417 1.00 61.12 C ATOM 1336 O ASN A 83 1.637 -15.403 -13.904 1.00 24.40 O ATOM 1337 CB ASN A 83 2.891 -15.342 -16.828 1.00 51.04 C ATOM 1338 CG ASN A 83 3.908 -15.749 -17.892 1.00 31.32 C ATOM 1339 OD1 ASN A 83 4.634 -16.725 -17.721 1.00 4.42 O ATOM 1340 ND2 ASN A 83 3.951 -15.011 -19.004 1.00 52.11 N ATOM 0 H ASN A 83 3.044 -17.326 -15.140 1.00 21.24 H new ATOM 0 HA ASN A 83 4.396 -14.709 -15.456 1.00 52.14 H new ATOM 0 HB2 ASN A 83 2.051 -16.037 -16.849 1.00 51.04 H new ATOM 0 HB3 ASN A 83 2.495 -14.356 -17.068 1.00 51.04 H new ATOM 0 HD21 ASN A 83 4.604 -15.251 -19.750 1.00 52.11 H new ATOM 0 HD22 ASN A 83 3.331 -14.208 -19.107 1.00 52.11 H new ATOM 1347 N HIS A 84 2.682 -13.414 -14.123 1.00 0.00 N ATOM 1348 CA HIS A 84 1.915 -12.696 -13.115 1.00 0.00 C ATOM 1349 C HIS A 84 2.014 -11.195 -13.388 1.00 0.00 C ATOM 1350 O HIS A 84 2.944 -10.746 -14.058 1.00 0.00 O ATOM 1351 CB HIS A 84 2.459 -13.050 -11.724 1.00 0.00 C ATOM 1352 CG HIS A 84 1.686 -12.458 -10.573 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.344 -11.845 -9.510 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.335 -12.405 -10.340 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.374 -11.466 -8.677 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.149 -11.775 -9.128 1.00 0.00 N ATOM 0 H HIS A 84 3.373 -12.830 -14.593 1.00 0.00 H new ATOM 0 HA HIS A 84 0.864 -12.983 -13.154 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.467 -14.135 -11.618 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.494 -12.715 -11.658 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.441 -12.787 -10.987 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.556 -10.963 -7.738 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.740 -11.583 -8.667 1.00 0.00 H new ATOM 1364 N VAL A 85 1.043 -10.426 -12.883 1.00 32.23 N ATOM 1365 CA VAL A 85 0.930 -8.998 -13.146 1.00 74.44 C ATOM 1366 C VAL A 85 2.133 -8.213 -12.608 1.00 1.00 C ATOM 1367 O VAL A 85 2.580 -7.267 -13.254 1.00 54.11 O ATOM 1368 CB VAL A 85 -0.418 -8.472 -12.620 1.00 15.01 C ATOM 1369 CG1 VAL A 85 -0.507 -8.465 -11.088 1.00 43.34 C ATOM 1370 CG2 VAL A 85 -0.696 -7.063 -13.159 1.00 74.34 C ATOM 0 H VAL A 85 0.309 -10.787 -12.274 1.00 32.23 H new ATOM 0 HA VAL A 85 0.947 -8.841 -14.224 1.00 74.44 H new ATOM 0 HB VAL A 85 -1.176 -9.165 -12.984 1.00 15.01 H new ATOM 0 HG11 VAL A 85 -1.481 -8.084 -10.782 1.00 43.34 H new ATOM 0 HG12 VAL A 85 -0.380 -9.480 -10.712 1.00 43.34 H new ATOM 0 HG13 VAL A 85 0.277 -7.826 -10.681 1.00 43.34 H new ATOM 0 HG21 VAL A 85 -1.653 -6.709 -12.776 1.00 74.34 H new ATOM 0 HG22 VAL A 85 0.096 -6.387 -12.837 1.00 74.34 H new ATOM 0 HG23 VAL A 85 -0.729 -7.090 -14.248 1.00 74.34 H new ATOM 1380 N THR A 86 2.669 -8.612 -11.445 1.00 15.10 N ATOM 1381 CA THR A 86 3.842 -7.983 -10.848 1.00 11.12 C ATOM 1382 C THR A 86 5.086 -8.232 -11.707 1.00 51.03 C ATOM 1383 O THR A 86 5.946 -7.359 -11.815 1.00 21.14 O ATOM 1384 CB THR A 86 4.051 -8.476 -9.408 1.00 14.40 C ATOM 1385 OG1 THR A 86 4.398 -9.844 -9.388 1.00 14.22 O ATOM 1386 CG2 THR A 86 2.808 -8.243 -8.543 1.00 75.31 C ATOM 0 H THR A 86 2.294 -9.385 -10.894 1.00 15.10 H new ATOM 0 HA THR A 86 3.673 -6.907 -10.810 1.00 11.12 H new ATOM 0 HB THR A 86 4.872 -7.895 -8.988 1.00 14.40 H new ATOM 0 HG1 THR A 86 3.584 -10.389 -9.419 1.00 14.22 H new ATOM 0 HG21 THR A 86 2.995 -8.605 -7.532 1.00 75.31 H new ATOM 0 HG22 THR A 86 2.582 -7.177 -8.511 1.00 75.31 H new ATOM 0 HG23 THR A 86 1.962 -8.781 -8.970 1.00 75.31 H new ATOM 1394 N LEU A 87 5.167 -9.418 -12.327 1.00 63.23 N ATOM 1395 CA LEU A 87 6.227 -9.791 -13.250 1.00 32.34 C ATOM 1396 C LEU A 87 5.954 -9.186 -14.634 1.00 24.45 C ATOM 1397 O LEU A 87 4.938 -8.523 -14.846 1.00 33.44 O ATOM 1398 CB LEU A 87 6.329 -11.324 -13.325 1.00 72.35 C ATOM 1399 CG LEU A 87 6.467 -12.011 -11.954 1.00 13.05 C ATOM 1400 CD1 LEU A 87 6.417 -13.529 -12.153 1.00 42.41 C ATOM 1401 CD2 LEU A 87 7.776 -11.627 -11.253 1.00 0.13 C ATOM 0 H LEU A 87 4.476 -10.156 -12.191 1.00 63.23 H new ATOM 0 HA LEU A 87 7.179 -9.399 -12.892 1.00 32.34 H new ATOM 0 HB2 LEU A 87 5.443 -11.713 -13.827 1.00 72.35 H new ATOM 0 HB3 LEU A 87 7.187 -11.591 -13.942 1.00 72.35 H new ATOM 0 HG LEU A 87 5.644 -11.680 -11.320 1.00 13.05 H new ATOM 0 HD11 LEU A 87 6.514 -14.026 -11.188 1.00 42.41 H new ATOM 0 HD12 LEU A 87 5.466 -13.805 -12.609 1.00 42.41 H new ATOM 0 HD13 LEU A 87 7.235 -13.838 -12.804 1.00 42.41 H new ATOM 0 HD21 LEU A 87 7.835 -12.133 -10.289 1.00 0.13 H new ATOM 0 HD22 LEU A 87 8.622 -11.927 -11.872 1.00 0.13 H new ATOM 0 HD23 LEU A 87 7.803 -10.548 -11.099 1.00 0.13 H new ATOM 1413 N SER A 88 6.876 -9.423 -15.575 1.00 23.41 N ATOM 1414 CA SER A 88 6.804 -8.955 -16.954 1.00 3.34 C ATOM 1415 C SER A 88 7.211 -10.086 -17.897 1.00 33.30 C ATOM 1416 O SER A 88 6.543 -10.330 -18.901 1.00 25.14 O ATOM 1417 CB SER A 88 7.712 -7.733 -17.133 1.00 31.43 C ATOM 1418 OG SER A 88 7.281 -6.680 -16.299 1.00 71.13 O ATOM 0 H SER A 88 7.719 -9.965 -15.385 1.00 23.41 H new ATOM 0 HA SER A 88 5.783 -8.658 -17.192 1.00 3.34 H new ATOM 0 HB2 SER A 88 8.742 -7.998 -16.894 1.00 31.43 H new ATOM 0 HB3 SER A 88 7.699 -7.411 -18.174 1.00 31.43 H new ATOM 0 HG SER A 88 7.869 -5.905 -16.420 1.00 71.13 H new ATOM 1424 N GLN A 89 8.305 -10.779 -17.557 1.00 60.23 N ATOM 1425 CA GLN A 89 8.819 -11.929 -18.287 1.00 60.23 C ATOM 1426 C GLN A 89 8.164 -13.216 -17.772 1.00 24.30 C ATOM 1427 O GLN A 89 7.741 -13.259 -16.616 1.00 21.42 O ATOM 1428 CB GLN A 89 10.348 -11.990 -18.124 1.00 43.24 C ATOM 1429 CG GLN A 89 10.792 -12.298 -16.685 1.00 24.23 C ATOM 1430 CD GLN A 89 12.304 -12.168 -16.531 1.00 13.33 C ATOM 1431 OE1 GLN A 89 12.788 -11.224 -15.910 1.00 61.13 O ATOM 1432 NE2 GLN A 89 13.055 -13.120 -17.090 1.00 71.13 N ATOM 0 H GLN A 89 8.869 -10.542 -16.741 1.00 60.23 H new ATOM 0 HA GLN A 89 8.580 -11.829 -19.346 1.00 60.23 H new ATOM 0 HB2 GLN A 89 10.748 -12.753 -18.792 1.00 43.24 H new ATOM 0 HB3 GLN A 89 10.778 -11.038 -18.434 1.00 43.24 H new ATOM 0 HG2 GLN A 89 10.294 -11.617 -15.995 1.00 24.23 H new ATOM 0 HG3 GLN A 89 10.482 -13.308 -16.415 1.00 24.23 H new ATOM 0 HE21 GLN A 89 12.613 -13.887 -17.597 1.00 71.13 H new ATOM 0 HE22 GLN A 89 14.071 -13.081 -17.010 1.00 71.13 H new ATOM 1441 N PRO A 90 8.122 -14.286 -18.584 1.00 74.44 N ATOM 1442 CA PRO A 90 7.775 -15.613 -18.110 1.00 31.50 C ATOM 1443 C PRO A 90 8.898 -16.124 -17.206 1.00 33.23 C ATOM 1444 O PRO A 90 10.037 -16.253 -17.652 1.00 72.15 O ATOM 1445 CB PRO A 90 7.614 -16.466 -19.371 1.00 2.21 C ATOM 1446 CG PRO A 90 8.532 -15.790 -20.388 1.00 5.41 C ATOM 1447 CD PRO A 90 8.445 -14.313 -20.005 1.00 54.54 C ATOM 0 HA PRO A 90 6.859 -15.637 -17.520 1.00 31.50 H new ATOM 0 HB2 PRO A 90 7.907 -17.501 -19.194 1.00 2.21 H new ATOM 0 HB3 PRO A 90 6.580 -16.481 -19.714 1.00 2.21 H new ATOM 0 HG2 PRO A 90 9.553 -16.164 -20.321 1.00 5.41 H new ATOM 0 HG3 PRO A 90 8.196 -15.962 -21.411 1.00 5.41 H new ATOM 0 HD2 PRO A 90 9.388 -13.803 -20.201 1.00 54.54 H new ATOM 0 HD3 PRO A 90 7.679 -13.803 -20.589 1.00 54.54 H new ATOM 1455 N LYS A 91 8.585 -16.385 -15.930 1.00 52.12 N ATOM 1456 CA LYS A 91 9.571 -16.806 -14.948 1.00 2.51 C ATOM 1457 C LYS A 91 9.643 -18.333 -14.985 1.00 33.15 C ATOM 1458 O LYS A 91 8.798 -19.022 -14.415 1.00 43.42 O ATOM 1459 CB LYS A 91 9.222 -16.218 -13.573 1.00 44.04 C ATOM 1460 CG LYS A 91 10.433 -16.055 -12.637 1.00 52.11 C ATOM 1461 CD LYS A 91 11.220 -17.325 -12.273 1.00 51.22 C ATOM 1462 CE LYS A 91 10.592 -18.173 -11.161 1.00 32.31 C ATOM 1463 NZ LYS A 91 9.263 -18.700 -11.507 1.00 42.11 N ATOM 0 H LYS A 91 7.639 -16.308 -15.558 1.00 52.12 H new ATOM 0 HA LYS A 91 10.568 -16.427 -15.175 1.00 2.51 H new ATOM 0 HB2 LYS A 91 8.751 -15.245 -13.714 1.00 44.04 H new ATOM 0 HB3 LYS A 91 8.486 -16.861 -13.090 1.00 44.04 H new ATOM 0 HG2 LYS A 91 11.124 -15.351 -13.100 1.00 52.11 H new ATOM 0 HG3 LYS A 91 10.084 -15.597 -11.711 1.00 52.11 H new ATOM 0 HD2 LYS A 91 11.322 -17.941 -13.167 1.00 51.22 H new ATOM 0 HD3 LYS A 91 12.226 -17.037 -11.967 1.00 51.22 H new ATOM 0 HE2 LYS A 91 11.256 -19.006 -10.931 1.00 32.31 H new ATOM 0 HE3 LYS A 91 10.511 -17.570 -10.256 1.00 32.31 H new ATOM 0 HZ1 LYS A 91 9.020 -19.479 -10.862 1.00 42.11 H new ATOM 0 HZ2 LYS A 91 8.555 -17.943 -11.418 1.00 42.11 H new ATOM 0 HZ3 LYS A 91 9.273 -19.051 -12.486 1.00 42.11 H new ATOM 1477 N ILE A 92 10.658 -18.841 -15.691 1.00 45.45 N ATOM 1478 CA ILE A 92 10.856 -20.255 -15.958 1.00 54.01 C ATOM 1479 C ILE A 92 11.450 -20.928 -14.721 1.00 52.31 C ATOM 1480 O ILE A 92 12.593 -20.654 -14.358 1.00 55.13 O ATOM 1481 CB ILE A 92 11.785 -20.420 -17.177 1.00 24.12 C ATOM 1482 CG1 ILE A 92 11.316 -19.625 -18.411 1.00 35.35 C ATOM 1483 CG2 ILE A 92 11.959 -21.902 -17.535 1.00 31.21 C ATOM 1484 CD1 ILE A 92 9.845 -19.844 -18.781 1.00 75.11 C ATOM 0 H ILE A 92 11.384 -18.254 -16.102 1.00 45.45 H new ATOM 0 HA ILE A 92 9.902 -20.731 -16.184 1.00 54.01 H new ATOM 0 HB ILE A 92 12.748 -20.004 -16.882 1.00 24.12 H new ATOM 0 HG12 ILE A 92 11.478 -18.563 -18.227 1.00 35.35 H new ATOM 0 HG13 ILE A 92 11.938 -19.900 -19.263 1.00 35.35 H new ATOM 0 HG21 ILE A 92 12.619 -21.993 -18.398 1.00 31.21 H new ATOM 0 HG22 ILE A 92 12.395 -22.432 -16.688 1.00 31.21 H new ATOM 0 HG23 ILE A 92 10.988 -22.335 -17.774 1.00 31.21 H new ATOM 0 HD11 ILE A 92 9.598 -19.248 -19.660 1.00 75.11 H new ATOM 0 HD12 ILE A 92 9.678 -20.899 -18.999 1.00 75.11 H new ATOM 0 HD13 ILE A 92 9.211 -19.541 -17.947 1.00 75.11 H new ATOM 1496 N VAL A 93 10.683 -21.830 -14.097 1.00 44.51 N ATOM 1497 CA VAL A 93 11.179 -22.705 -13.048 1.00 1.21 C ATOM 1498 C VAL A 93 11.813 -23.926 -13.710 1.00 72.43 C ATOM 1499 O VAL A 93 11.408 -24.322 -14.800 1.00 52.44 O ATOM 1500 CB VAL A 93 10.040 -23.139 -12.107 1.00 12.34 C ATOM 1501 CG1 VAL A 93 10.606 -23.964 -10.941 1.00 63.31 C ATOM 1502 CG2 VAL A 93 9.297 -21.926 -11.539 1.00 35.20 C ATOM 0 H VAL A 93 9.696 -21.968 -14.313 1.00 44.51 H new ATOM 0 HA VAL A 93 11.916 -22.174 -12.445 1.00 1.21 H new ATOM 0 HB VAL A 93 9.342 -23.741 -12.688 1.00 12.34 H new ATOM 0 HG11 VAL A 93 9.793 -24.266 -10.281 1.00 63.31 H new ATOM 0 HG12 VAL A 93 11.105 -24.851 -11.331 1.00 63.31 H new ATOM 0 HG13 VAL A 93 11.322 -23.361 -10.382 1.00 63.31 H new ATOM 0 HG21 VAL A 93 8.499 -22.265 -10.879 1.00 35.20 H new ATOM 0 HG22 VAL A 93 9.993 -21.303 -10.977 1.00 35.20 H new ATOM 0 HG23 VAL A 93 8.870 -21.346 -12.357 1.00 35.20 H new ATOM 1512 N LYS A 94 12.786 -24.534 -13.028 1.00 65.22 N ATOM 1513 CA LYS A 94 13.314 -25.842 -13.370 1.00 40.34 C ATOM 1514 C LYS A 94 12.732 -26.827 -12.361 1.00 13.30 C ATOM 1515 O LYS A 94 13.047 -26.731 -11.176 1.00 1.43 O ATOM 1516 CB LYS A 94 14.844 -25.805 -13.314 1.00 0.52 C ATOM 1517 CG LYS A 94 15.389 -24.758 -14.296 1.00 75.42 C ATOM 1518 CD LYS A 94 16.916 -24.832 -14.434 1.00 60.14 C ATOM 1519 CE LYS A 94 17.671 -24.702 -13.103 1.00 61.35 C ATOM 1520 NZ LYS A 94 17.307 -23.476 -12.372 1.00 13.21 N ATOM 0 H LYS A 94 13.232 -24.118 -12.210 1.00 65.22 H new ATOM 0 HA LYS A 94 13.039 -26.145 -14.380 1.00 40.34 H new ATOM 0 HB2 LYS A 94 15.172 -25.569 -12.302 1.00 0.52 H new ATOM 0 HB3 LYS A 94 15.247 -26.788 -13.559 1.00 0.52 H new ATOM 0 HG2 LYS A 94 14.930 -24.906 -15.274 1.00 75.42 H new ATOM 0 HG3 LYS A 94 15.104 -23.762 -13.957 1.00 75.42 H new ATOM 0 HD2 LYS A 94 17.183 -25.781 -14.900 1.00 60.14 H new ATOM 0 HD3 LYS A 94 17.248 -24.042 -15.107 1.00 60.14 H new ATOM 0 HE2 LYS A 94 17.458 -25.571 -12.480 1.00 61.35 H new ATOM 0 HE3 LYS A 94 18.744 -24.703 -13.295 1.00 61.35 H new ATOM 0 HZ1 LYS A 94 17.902 -23.388 -11.523 1.00 13.21 H new ATOM 0 HZ2 LYS A 94 17.455 -22.649 -12.985 1.00 13.21 H new ATOM 0 HZ3 LYS A 94 16.307 -23.524 -12.090 1.00 13.21 H new ATOM 1534 N TRP A 95 11.861 -27.736 -12.821 1.00 23.11 N ATOM 1535 CA TRP A 95 11.244 -28.757 -11.987 1.00 2.42 C ATOM 1536 C TRP A 95 12.330 -29.540 -11.244 1.00 22.21 C ATOM 1537 O TRP A 95 13.085 -30.290 -11.862 1.00 12.00 O ATOM 1538 CB TRP A 95 10.413 -29.709 -12.858 1.00 34.33 C ATOM 1539 CG TRP A 95 10.097 -31.034 -12.232 1.00 0.10 C ATOM 1540 CD1 TRP A 95 9.570 -31.226 -11.003 1.00 23.22 C ATOM 1541 CD2 TRP A 95 10.407 -32.362 -12.741 1.00 2.22 C ATOM 1542 NE1 TRP A 95 9.560 -32.571 -10.702 1.00 53.11 N ATOM 1543 CE2 TRP A 95 10.059 -33.322 -11.748 1.00 0.31 C ATOM 1544 CE3 TRP A 95 10.977 -32.849 -13.936 1.00 11.44 C ATOM 1545 CZ2 TRP A 95 10.257 -34.698 -11.939 1.00 71.55 C ATOM 1546 CZ3 TRP A 95 11.158 -34.228 -14.148 1.00 41.54 C ATOM 1547 CH2 TRP A 95 10.802 -35.152 -13.151 1.00 4.04 C ATOM 0 H TRP A 95 11.566 -27.777 -13.797 1.00 23.11 H new ATOM 0 HA TRP A 95 10.587 -28.280 -11.260 1.00 2.42 H new ATOM 0 HB2 TRP A 95 9.477 -29.215 -13.117 1.00 34.33 H new ATOM 0 HB3 TRP A 95 10.949 -29.884 -13.791 1.00 34.33 H new ATOM 0 HD1 TRP A 95 9.210 -30.442 -10.353 1.00 23.22 H new ATOM 0 HE1 TRP A 95 9.227 -32.961 -9.820 1.00 53.11 H new ATOM 0 HE3 TRP A 95 11.280 -32.151 -14.702 1.00 11.44 H new ATOM 0 HZ2 TRP A 95 9.993 -35.400 -11.162 1.00 71.55 H new ATOM 0 HZ3 TRP A 95 11.573 -34.578 -15.082 1.00 41.54 H new ATOM 0 HH2 TRP A 95 10.947 -36.209 -13.317 1.00 4.04 H new ATOM 1558 N ASP A 96 12.388 -29.363 -9.921 1.00 24.34 N ATOM 1559 CA ASP A 96 13.337 -30.048 -9.060 1.00 2.25 C ATOM 1560 C ASP A 96 12.743 -31.389 -8.632 1.00 24.14 C ATOM 1561 O ASP A 96 11.591 -31.454 -8.202 1.00 42.43 O ATOM 1562 CB ASP A 96 13.674 -29.166 -7.854 1.00 15.31 C ATOM 1563 CG ASP A 96 14.239 -27.811 -8.285 1.00 75.35 C ATOM 1564 OD1 ASP A 96 15.388 -27.803 -8.779 1.00 24.13 O ATOM 1565 OD2 ASP A 96 13.506 -26.810 -8.127 1.00 22.23 O ATOM 0 H ASP A 96 11.766 -28.730 -9.418 1.00 24.34 H new ATOM 0 HA ASP A 96 14.266 -30.240 -9.597 1.00 2.25 H new ATOM 0 HB2 ASP A 96 12.777 -29.012 -7.254 1.00 15.31 H new ATOM 0 HB3 ASP A 96 14.398 -29.677 -7.220 1.00 15.31 H new ATOM 1570 N ARG A 97 13.533 -32.461 -8.773 1.00 72.11 N ATOM 1571 CA ARG A 97 13.124 -33.820 -8.457 1.00 25.14 C ATOM 1572 C ARG A 97 13.068 -34.000 -6.938 1.00 24.35 C ATOM 1573 O ARG A 97 11.995 -34.257 -6.393 1.00 41.21 O ATOM 1574 CB ARG A 97 14.089 -34.800 -9.145 1.00 54.51 C ATOM 1575 CG ARG A 97 13.872 -36.289 -8.836 1.00 0.31 C ATOM 1576 CD ARG A 97 12.478 -36.806 -9.213 1.00 25.41 C ATOM 1577 NE ARG A 97 11.491 -36.489 -8.174 1.00 11.10 N ATOM 1578 CZ ARG A 97 10.178 -36.752 -8.240 1.00 20.11 C ATOM 1579 NH1 ARG A 97 9.649 -37.311 -9.336 1.00 54.04 N ATOM 1580 NH2 ARG A 97 9.389 -36.447 -7.200 1.00 22.31 N ATOM 0 H ARG A 97 14.491 -32.398 -9.117 1.00 72.11 H new ATOM 0 HA ARG A 97 12.122 -34.027 -8.833 1.00 25.14 H new ATOM 0 HB2 ARG A 97 14.012 -34.658 -10.223 1.00 54.51 H new ATOM 0 HB3 ARG A 97 15.108 -34.535 -8.861 1.00 54.51 H new ATOM 0 HG2 ARG A 97 14.622 -36.874 -9.369 1.00 0.31 H new ATOM 0 HG3 ARG A 97 14.035 -36.456 -7.771 1.00 0.31 H new ATOM 0 HD2 ARG A 97 12.168 -36.363 -10.159 1.00 25.41 H new ATOM 0 HD3 ARG A 97 12.517 -37.885 -9.363 1.00 25.41 H new ATOM 0 HE ARG A 97 11.833 -36.030 -7.330 1.00 11.10 H new ATOM 0 HH11 ARG A 97 10.246 -37.541 -10.130 1.00 54.04 H new ATOM 0 HH12 ARG A 97 8.649 -37.507 -9.376 1.00 54.04 H new ATOM 0 HH21 ARG A 97 9.788 -36.018 -6.365 1.00 22.31 H new ATOM 0 HH22 ARG A 97 8.389 -36.644 -7.243 1.00 22.31 H new