USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 914 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 21 THR OG1 : rot 5:sc= 0.385 USER MOD Set 1.2: A 96 ASN : amide:sc= 0.669 K(o=1.8,f=-0.69) USER MOD Set 1.3: A 98 GLN : amide:sc= 0.79 K(o=1.8,f=-8.4!) USER MOD Set 2.1: A 84 ASN : amide:sc= 1.45 K(o=2.4,f=-1.7) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 177:sc= 0.92 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot -38:sc= -0.316 USER MOD Set 3.2: A 62 CYS SG : rot -136:sc= 0.729 USER MOD Set 4.1: A 14 GLN : amide:sc= 0.24 K(o=0.36,f=-0.26) USER MOD Set 4.2: A 17 GLN : amide:sc= 0.122 X(o=0.36,f=0.08) USER MOD Single : A 3 GLN : amide:sc= 0.948 K(o=0.95,f=0) USER MOD Single : A 6 SER OG : rot 49:sc= 0.906 USER MOD Single : A 7 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.584 K(o=0.58,f=-3!) USER MOD Single : A 11 TYR OH : rot -177:sc= 0.227 USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= 1.12 (180deg=-0.0316!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.0275 (180deg=-0.201) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.668 (180deg=0.527) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc=-0.00373 (180deg=-0.116) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 167:sc= 0.0498 USER MOD Single : A 47 GLN : amide:sc= 0.746 K(o=0.75,f=0) USER MOD Single : A 50 THR OG1 : rot 67:sc= 0.596 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0138) USER MOD Single : A 64 GLN : amide:sc= -0.062 X(o=-0.062,f=-0.12) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 69 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.147) USER MOD Single : A 78 THR OG1 : rot -43:sc= 0.0154 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 0.756 (180deg=0.588) USER MOD Single : A 93 LYS NZ :NH3+ 143:sc= 0.995 (180deg=0.0212) USER MOD Single : A 100 MET CE :methyl -149:sc= -0.069 (180deg=-0.278) USER MOD Single : A 105 GLN : amide:sc= 0.261 K(o=0.26,f=-3.6!) USER MOD Single : A 106 THR OG1 : rot 63:sc= 1.15 USER MOD Single : A 111 LYS NZ :NH3+ -133:sc= 1.19 (180deg=-0.00961) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 0.768 0.720 2.329 1.00 25.00 N ATOM 44 CA GLY A 2 0.331 1.555 3.437 1.00 25.00 C ATOM 45 C GLY A 2 -0.030 2.957 2.998 1.00 25.00 C ATOM 46 O GLY A 2 -1.049 3.486 3.429 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.533 1.094 3.917 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.122 1.604 4.185 1.00 25.00 H new ATOM 50 N GLN A 3 0.761 3.550 2.111 1.00 25.00 N ATOM 51 CA GLN A 3 0.471 4.908 1.639 1.00 25.00 C ATOM 52 C GLN A 3 -0.833 4.923 0.831 1.00 25.00 C ATOM 53 O GLN A 3 -1.621 5.866 0.907 1.00 25.00 O ATOM 54 CB GLN A 3 1.645 5.475 0.815 1.00 25.00 C ATOM 55 CG GLN A 3 1.948 4.752 -0.506 1.00 25.00 C ATOM 56 CD GLN A 3 3.087 5.395 -1.266 1.00 25.00 C ATOM 57 OE1 GLN A 3 2.869 6.233 -2.124 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.294 5.005 -0.966 1.00 25.00 N ATOM 0 H GLN A 3 1.595 3.125 1.707 1.00 25.00 H new ATOM 0 HA GLN A 3 0.343 5.553 2.508 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.437 6.522 0.594 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.542 5.452 1.433 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.195 3.711 -0.299 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.054 4.750 -1.129 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.437 4.301 -0.242 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.095 5.404 -1.455 1.00 25.00 H new ATOM 67 N GLU A 4 -1.082 3.846 0.102 1.00 25.00 N ATOM 68 CA GLU A 4 -2.294 3.707 -0.692 1.00 25.00 C ATOM 69 C GLU A 4 -3.494 3.475 0.229 1.00 25.00 C ATOM 70 O GLU A 4 -4.602 3.950 -0.025 1.00 25.00 O ATOM 71 CB GLU A 4 -2.120 2.533 -1.663 1.00 25.00 C ATOM 72 CG GLU A 4 -3.398 2.102 -2.315 1.00 25.00 C ATOM 73 CD GLU A 4 -3.218 0.989 -3.323 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.113 0.415 -3.435 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.227 0.659 -3.984 1.00 25.00 O ATOM 0 H GLU A 4 -0.452 3.046 0.044 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.474 4.618 -1.262 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.404 2.814 -2.435 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.693 1.687 -1.125 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -4.096 1.774 -1.545 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.851 2.961 -2.811 1.00 25.00 H new ATOM 82 N LEU A 5 -3.273 2.750 1.308 1.00 25.00 N ATOM 83 CA LEU A 5 -4.314 2.459 2.278 1.00 25.00 C ATOM 84 C LEU A 5 -4.769 3.709 3.035 1.00 25.00 C ATOM 85 O LEU A 5 -5.966 3.916 3.179 1.00 25.00 O ATOM 86 CB LEU A 5 -3.810 1.368 3.218 1.00 25.00 C ATOM 87 CG LEU A 5 -4.243 -0.069 2.855 1.00 25.00 C ATOM 88 CD1 LEU A 5 -4.217 -0.408 1.377 1.00 25.00 C ATOM 89 CD2 LEU A 5 -3.362 -1.058 3.615 1.00 25.00 C ATOM 0 H LEU A 5 -2.366 2.345 1.538 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.201 2.102 1.754 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.721 1.406 3.241 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.159 1.591 4.226 1.00 25.00 H new ATOM 0 HG LEU A 5 -5.291 -0.140 3.145 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -4.539 -1.440 1.235 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -4.890 0.260 0.839 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.204 -0.288 0.994 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -3.660 -2.077 3.366 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -2.319 -0.906 3.336 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -3.477 -0.899 4.687 1.00 25.00 H new ATOM 101 N SER A 6 -3.856 4.602 3.406 1.00 25.00 N ATOM 102 CA SER A 6 -4.245 5.925 3.920 1.00 25.00 C ATOM 103 C SER A 6 -5.011 6.788 2.898 1.00 25.00 C ATOM 104 O SER A 6 -5.592 7.800 3.269 1.00 25.00 O ATOM 105 CB SER A 6 -3.011 6.710 4.364 1.00 25.00 C ATOM 106 OG SER A 6 -1.852 6.264 3.687 1.00 25.00 O ATOM 0 H SER A 6 -2.849 4.443 3.364 1.00 25.00 H new ATOM 0 HA SER A 6 -4.912 5.722 4.758 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.163 7.772 4.170 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.873 6.599 5.439 1.00 25.00 H new ATOM 0 HG SER A 6 -2.031 6.223 2.724 1.00 25.00 H new ATOM 112 N GLN A 7 -5.002 6.401 1.628 1.00 25.00 N ATOM 113 CA GLN A 7 -5.708 7.151 0.580 1.00 25.00 C ATOM 114 C GLN A 7 -7.067 6.492 0.303 1.00 25.00 C ATOM 115 O GLN A 7 -7.970 7.093 -0.269 1.00 25.00 O ATOM 116 CB GLN A 7 -4.849 7.179 -0.692 1.00 25.00 C ATOM 117 CG GLN A 7 -5.292 8.203 -1.736 1.00 25.00 C ATOM 118 CD GLN A 7 -4.354 8.256 -2.927 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.883 9.312 -3.306 1.00 25.00 O ATOM 120 NE2 GLN A 7 -4.079 7.119 -3.516 1.00 25.00 N ATOM 0 H GLN A 7 -4.514 5.571 1.292 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.880 8.176 0.909 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.816 7.388 -0.413 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.862 6.188 -1.146 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -6.297 7.957 -2.079 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.345 9.189 -1.274 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.492 6.253 -3.171 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -3.452 7.100 -4.320 1.00 25.00 H new ATOM 129 N HIS A 8 -7.210 5.249 0.733 1.00 25.00 N ATOM 130 CA HIS A 8 -8.465 4.515 0.584 1.00 25.00 C ATOM 131 C HIS A 8 -9.345 4.852 1.778 1.00 25.00 C ATOM 132 O HIS A 8 -9.209 4.242 2.822 1.00 25.00 O ATOM 133 CB HIS A 8 -8.201 3.006 0.561 1.00 25.00 C ATOM 134 CG HIS A 8 -7.921 2.459 -0.804 1.00 25.00 C ATOM 135 ND1 HIS A 8 -6.686 2.570 -1.442 1.00 25.00 N ATOM 136 CD2 HIS A 8 -8.701 1.773 -1.683 1.00 25.00 C ATOM 137 CE1 HIS A 8 -6.758 1.963 -2.623 1.00 25.00 C ATOM 138 NE2 HIS A 8 -7.958 1.484 -2.786 1.00 25.00 N ATOM 0 H HIS A 8 -6.469 4.720 1.192 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.950 4.795 -0.351 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.354 2.786 1.211 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -9.066 2.490 0.978 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -5.863 3.040 -1.065 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.736 1.503 -1.531 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -5.949 1.880 -3.334 1.00 25.00 H new ATOM 146 N GLU A 9 -10.252 5.802 1.621 1.00 25.00 N ATOM 147 CA GLU A 9 -11.110 6.257 2.726 1.00 25.00 C ATOM 148 C GLU A 9 -11.834 5.115 3.452 1.00 25.00 C ATOM 149 O GLU A 9 -11.919 5.102 4.672 1.00 25.00 O ATOM 150 CB GLU A 9 -12.144 7.247 2.197 1.00 25.00 C ATOM 151 CG GLU A 9 -11.525 8.493 1.581 1.00 25.00 C ATOM 152 CD GLU A 9 -12.580 9.437 1.040 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.321 9.026 0.121 1.00 25.00 O ATOM 154 OE2 GLU A 9 -12.677 10.578 1.536 1.00 25.00 O ATOM 0 H GLU A 9 -10.421 6.282 0.737 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.450 6.729 3.454 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.763 6.750 1.450 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.804 7.543 3.013 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.925 9.009 2.330 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.849 8.203 0.776 1.00 25.00 H new ATOM 161 N ARG A 10 -12.295 4.121 2.706 1.00 25.00 N ATOM 162 CA ARG A 10 -12.968 2.957 3.301 1.00 25.00 C ATOM 163 C ARG A 10 -12.056 2.233 4.312 1.00 25.00 C ATOM 164 O ARG A 10 -12.515 1.785 5.365 1.00 25.00 O ATOM 165 CB ARG A 10 -13.402 2.004 2.180 1.00 25.00 C ATOM 166 CG ARG A 10 -14.356 0.891 2.615 1.00 25.00 C ATOM 167 CD ARG A 10 -14.460 -0.155 1.508 1.00 25.00 C ATOM 168 NE ARG A 10 -14.954 -1.453 2.002 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.752 -2.621 1.397 1.00 25.00 C ATOM 170 NH1 ARG A 10 -14.102 -2.716 0.269 1.00 25.00 N ATOM 171 NH2 ARG A 10 -15.194 -3.714 1.943 1.00 25.00 N ATOM 0 H ARG A 10 -12.219 4.090 1.689 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.845 3.299 3.850 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.881 2.586 1.393 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -12.512 1.550 1.744 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -13.996 0.428 3.534 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.341 1.306 2.831 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.128 0.211 0.728 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -13.481 -0.293 1.050 1.00 25.00 H new ATOM 0 HE ARG A 10 -15.489 -1.456 2.870 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -13.730 -1.878 -0.177 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -13.966 -3.629 -0.166 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -15.693 -3.674 2.832 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -15.042 -4.612 1.483 1.00 25.00 H new ATOM 185 N TYR A 11 -10.767 2.153 4.010 1.00 25.00 N ATOM 186 CA TYR A 11 -9.801 1.542 4.910 1.00 25.00 C ATOM 187 C TYR A 11 -9.481 2.491 6.064 1.00 25.00 C ATOM 188 O TYR A 11 -9.349 2.076 7.219 1.00 25.00 O ATOM 189 CB TYR A 11 -8.530 1.237 4.119 1.00 25.00 C ATOM 190 CG TYR A 11 -7.533 0.409 4.871 1.00 25.00 C ATOM 191 CD1 TYR A 11 -7.646 -0.991 4.902 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.454 1.012 5.545 1.00 25.00 C ATOM 193 CE1 TYR A 11 -6.702 -1.776 5.594 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.499 0.220 6.231 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.639 -1.167 6.252 1.00 25.00 C ATOM 196 OH TYR A 11 -4.722 -1.929 6.924 1.00 25.00 O ATOM 0 H TYR A 11 -10.365 2.507 3.142 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.213 0.623 5.326 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -8.801 0.717 3.200 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.061 2.177 3.827 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.466 -1.471 4.389 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.353 2.087 5.539 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -6.804 -2.851 5.613 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.667 0.689 6.735 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.072 -1.344 7.366 1.00 25.00 H new ATOM 206 N VAL A 12 -9.376 3.774 5.741 1.00 25.00 N ATOM 207 CA VAL A 12 -9.061 4.813 6.722 1.00 25.00 C ATOM 208 C VAL A 12 -10.072 4.849 7.860 1.00 25.00 C ATOM 209 O VAL A 12 -9.674 4.971 9.006 1.00 25.00 O ATOM 210 CB VAL A 12 -8.989 6.219 6.043 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.863 7.344 7.075 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.801 6.284 5.097 1.00 25.00 C ATOM 0 H VAL A 12 -9.506 4.127 4.793 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.086 4.564 7.140 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.918 6.358 5.491 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.816 8.305 6.562 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.728 7.328 7.738 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.955 7.201 7.661 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.761 7.268 4.630 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.881 6.110 5.655 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.907 5.521 4.326 1.00 25.00 H new ATOM 222 N GLU A 13 -11.361 4.722 7.585 1.00 25.00 N ATOM 223 CA GLU A 13 -12.353 4.789 8.666 1.00 25.00 C ATOM 224 C GLU A 13 -12.183 3.658 9.681 1.00 25.00 C ATOM 225 O GLU A 13 -12.273 3.881 10.892 1.00 25.00 O ATOM 226 CB GLU A 13 -13.783 4.795 8.116 1.00 25.00 C ATOM 227 CG GLU A 13 -14.084 5.994 7.217 1.00 25.00 C ATOM 228 CD GLU A 13 -13.571 7.303 7.804 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.015 7.705 8.905 1.00 25.00 O ATOM 230 OE2 GLU A 13 -12.651 7.901 7.207 1.00 25.00 O ATOM 0 H GLU A 13 -11.745 4.576 6.652 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.176 5.731 9.186 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.951 3.877 7.553 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.485 4.791 8.950 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.630 5.835 6.239 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.160 6.066 7.060 1.00 25.00 H new ATOM 237 N GLN A 14 -11.862 2.462 9.212 1.00 25.00 N ATOM 238 CA GLN A 14 -11.607 1.347 10.126 1.00 25.00 C ATOM 239 C GLN A 14 -10.308 1.580 10.883 1.00 25.00 C ATOM 240 O GLN A 14 -10.200 1.287 12.070 1.00 25.00 O ATOM 241 CB GLN A 14 -11.534 0.022 9.366 1.00 25.00 C ATOM 242 CG GLN A 14 -12.873 -0.413 8.783 1.00 25.00 C ATOM 243 CD GLN A 14 -13.977 -0.446 9.830 1.00 25.00 C ATOM 244 OE1 GLN A 14 -14.972 0.245 9.708 1.00 25.00 O ATOM 245 NE2 GLN A 14 -13.791 -1.220 10.868 1.00 25.00 N ATOM 0 H GLN A 14 -11.772 2.235 8.222 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.433 1.292 10.835 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.807 0.113 8.559 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.169 -0.755 10.038 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.156 0.269 7.981 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.768 -1.402 8.338 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -12.945 -1.786 10.937 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.492 -1.258 11.608 1.00 25.00 H new ATOM 254 N LEU A 15 -9.325 2.148 10.212 1.00 25.00 N ATOM 255 CA LEU A 15 -8.052 2.443 10.852 1.00 25.00 C ATOM 256 C LEU A 15 -8.161 3.589 11.855 1.00 25.00 C ATOM 257 O LEU A 15 -7.484 3.573 12.871 1.00 25.00 O ATOM 258 CB LEU A 15 -7.007 2.766 9.794 1.00 25.00 C ATOM 259 CG LEU A 15 -6.029 1.656 9.380 1.00 25.00 C ATOM 260 CD1 LEU A 15 -4.824 1.710 10.288 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.637 0.240 9.396 1.00 25.00 C ATOM 0 H LEU A 15 -9.380 2.414 9.229 1.00 25.00 H new ATOM 0 HA LEU A 15 -7.749 1.557 11.410 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.531 3.099 8.898 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.420 3.611 10.153 1.00 25.00 H new ATOM 0 HG LEU A 15 -5.755 1.845 8.342 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.120 0.927 10.006 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -4.341 2.683 10.194 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.139 1.559 11.320 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.881 -0.484 9.091 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -6.981 0.003 10.403 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.479 0.198 8.705 1.00 25.00 H new ATOM 273 N LYS A 16 -9.058 4.539 11.626 1.00 25.00 N ATOM 274 CA LYS A 16 -9.308 5.611 12.599 1.00 25.00 C ATOM 275 C LYS A 16 -9.761 4.969 13.896 1.00 25.00 C ATOM 276 O LYS A 16 -9.338 5.376 14.974 1.00 25.00 O ATOM 277 CB LYS A 16 -10.404 6.569 12.112 1.00 25.00 C ATOM 278 CG LYS A 16 -9.951 7.638 11.119 1.00 25.00 C ATOM 279 CD LYS A 16 -11.179 8.377 10.585 1.00 25.00 C ATOM 280 CE LYS A 16 -10.828 9.481 9.590 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.077 10.008 8.924 1.00 25.00 N ATOM 0 H LYS A 16 -9.626 4.595 10.781 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.392 6.186 12.734 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.197 5.981 11.649 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.840 7.065 12.979 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.272 8.339 11.605 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.401 7.179 10.297 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -11.846 7.661 10.104 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.727 8.811 11.422 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.313 10.292 10.104 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -10.142 9.095 8.836 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -11.936 11.004 8.660 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -12.278 9.448 8.071 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.879 9.935 9.582 1.00 25.00 H new ATOM 295 N GLN A 17 -10.595 3.946 13.792 1.00 25.00 N ATOM 296 CA GLN A 17 -11.047 3.219 14.973 1.00 25.00 C ATOM 297 C GLN A 17 -9.867 2.461 15.577 1.00 25.00 C ATOM 298 O GLN A 17 -9.642 2.512 16.775 1.00 25.00 O ATOM 299 CB GLN A 17 -12.155 2.218 14.614 1.00 25.00 C ATOM 300 CG GLN A 17 -13.407 2.835 14.001 1.00 25.00 C ATOM 301 CD GLN A 17 -14.227 1.806 13.250 1.00 25.00 C ATOM 302 OE1 GLN A 17 -14.421 0.695 13.716 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.670 2.156 12.074 1.00 25.00 N ATOM 0 H GLN A 17 -10.972 3.600 12.909 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.446 3.937 15.689 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -11.750 1.486 13.916 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.440 1.675 15.515 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.015 3.282 14.787 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.122 3.639 13.323 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.487 3.095 11.719 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.199 1.491 11.510 1.00 25.00 H new ATOM 312 N ALA A 18 -9.112 1.755 14.750 1.00 25.00 N ATOM 313 CA ALA A 18 -8.008 0.932 15.238 1.00 25.00 C ATOM 314 C ALA A 18 -6.907 1.734 15.963 1.00 25.00 C ATOM 315 O ALA A 18 -6.459 1.333 17.035 1.00 25.00 O ATOM 316 CB ALA A 18 -7.409 0.129 14.075 1.00 25.00 C ATOM 0 H ALA A 18 -9.240 1.733 13.738 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.427 0.259 15.986 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.586 -0.484 14.442 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.176 -0.514 13.644 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.039 0.814 13.312 1.00 25.00 H new ATOM 322 N LEU A 19 -6.488 2.865 15.408 1.00 25.00 N ATOM 323 CA LEU A 19 -5.453 3.682 16.055 1.00 25.00 C ATOM 324 C LEU A 19 -5.971 4.166 17.418 1.00 25.00 C ATOM 325 O LEU A 19 -5.242 4.149 18.412 1.00 25.00 O ATOM 326 CB LEU A 19 -5.050 4.897 15.183 1.00 25.00 C ATOM 327 CG LEU A 19 -3.904 4.707 14.156 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.386 4.194 12.795 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.161 6.029 13.933 1.00 25.00 C ATOM 0 H LEU A 19 -6.838 3.238 14.526 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.565 3.065 16.187 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.935 5.226 14.639 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.767 5.710 15.852 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.245 3.953 14.586 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.533 4.084 12.125 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.875 3.228 12.923 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.093 4.905 12.368 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.360 5.878 13.210 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -3.856 6.778 13.554 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.738 6.372 14.877 1.00 25.00 H new ATOM 341 N LYS A 20 -7.240 4.561 17.474 1.00 25.00 N ATOM 342 CA LYS A 20 -7.838 5.047 18.727 1.00 25.00 C ATOM 343 C LYS A 20 -8.044 3.949 19.761 1.00 25.00 C ATOM 344 O LYS A 20 -7.797 4.170 20.934 1.00 25.00 O ATOM 345 CB LYS A 20 -9.197 5.699 18.458 1.00 25.00 C ATOM 346 CG LYS A 20 -9.125 7.049 17.761 1.00 25.00 C ATOM 347 CD LYS A 20 -10.536 7.567 17.495 1.00 25.00 C ATOM 348 CE LYS A 20 -10.516 8.887 16.736 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.917 9.401 16.518 1.00 25.00 N ATOM 0 H LYS A 20 -7.875 4.557 16.676 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.127 5.769 19.129 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.796 5.022 17.849 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.720 5.822 19.406 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.577 7.760 18.380 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.579 6.956 16.822 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.094 6.826 16.922 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.060 7.699 18.442 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -9.936 9.623 17.293 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.020 8.752 15.775 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -11.880 10.301 15.999 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.460 8.706 15.967 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.379 9.551 17.438 1.00 25.00 H new ATOM 363 N THR A 21 -8.502 2.780 19.337 1.00 25.00 N ATOM 364 CA THR A 21 -8.762 1.672 20.268 1.00 25.00 C ATOM 365 C THR A 21 -7.460 1.169 20.875 1.00 25.00 C ATOM 366 O THR A 21 -7.430 0.734 22.018 1.00 25.00 O ATOM 367 CB THR A 21 -9.466 0.476 19.573 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.779 0.150 18.366 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.897 0.803 19.201 1.00 25.00 C ATOM 0 H THR A 21 -8.703 2.567 18.360 1.00 25.00 H new ATOM 0 HA THR A 21 -9.419 2.067 21.043 1.00 25.00 H new ATOM 0 HB THR A 21 -9.455 -0.355 20.279 1.00 25.00 H new ATOM 0 HG1 THR A 21 -7.972 0.701 18.290 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.354 -0.060 18.717 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.459 1.054 20.101 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.910 1.651 18.517 1.00 25.00 H new ATOM 377 N ARG A 22 -6.371 1.269 20.125 1.00 25.00 N ATOM 378 CA ARG A 22 -5.058 0.887 20.642 1.00 25.00 C ATOM 379 C ARG A 22 -4.566 1.931 21.648 1.00 25.00 C ATOM 380 O ARG A 22 -3.746 1.639 22.509 1.00 25.00 O ATOM 381 CB ARG A 22 -4.069 0.740 19.478 1.00 25.00 C ATOM 382 CG ARG A 22 -2.753 0.044 19.841 1.00 25.00 C ATOM 383 CD ARG A 22 -2.967 -1.437 20.073 1.00 25.00 C ATOM 384 NE ARG A 22 -1.732 -2.109 20.507 1.00 25.00 N ATOM 385 CZ ARG A 22 -1.639 -3.393 20.842 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.672 -4.198 20.825 1.00 25.00 N ATOM 387 NH2 ARG A 22 -0.484 -3.869 21.198 1.00 25.00 N ATOM 0 H ARG A 22 -6.367 1.608 19.163 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.135 -0.071 21.156 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.552 0.180 18.677 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.844 1.731 19.083 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.028 0.189 19.040 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.332 0.499 20.738 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.741 -1.578 20.827 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.329 -1.900 19.155 1.00 25.00 H new ATOM 0 HE ARG A 22 -0.882 -1.547 20.555 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.588 -3.846 20.548 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.560 -5.177 21.089 1.00 25.00 H new ATOM 0 HH21 ARG A 22 0.334 -3.260 21.218 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -0.395 -4.851 21.458 1.00 25.00 H new ATOM 401 N GLY A 23 -5.048 3.159 21.502 1.00 25.00 N ATOM 402 CA GLY A 23 -4.652 4.250 22.385 1.00 25.00 C ATOM 403 C GLY A 23 -3.241 4.724 22.097 1.00 25.00 C ATOM 404 O GLY A 23 -2.658 5.526 22.848 1.00 25.00 O ATOM 0 H GLY A 23 -5.716 3.425 20.778 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.346 5.082 22.268 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.720 3.921 23.422 1.00 25.00 H new ATOM 408 N VAL A 24 -2.675 4.197 21.021 1.00 25.00 N ATOM 409 CA VAL A 24 -1.293 4.470 20.664 1.00 25.00 C ATOM 410 C VAL A 24 -1.265 5.790 19.898 1.00 25.00 C ATOM 411 O VAL A 24 -2.129 6.073 19.069 1.00 25.00 O ATOM 412 CB VAL A 24 -0.667 3.264 19.881 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.222 3.146 18.451 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.860 3.348 19.878 1.00 25.00 C ATOM 0 H VAL A 24 -3.158 3.572 20.375 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.667 4.578 21.550 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.957 2.355 20.407 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -0.758 2.297 17.950 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.301 2.999 18.491 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.000 4.059 17.898 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.270 2.500 19.329 1.00 25.00 H new ATOM 0 HG22 VAL A 24 1.172 4.276 19.399 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.228 3.328 20.904 1.00 25.00 H new ATOM 424 N LYS A 25 -0.332 6.650 20.266 1.00 25.00 N ATOM 425 CA LYS A 25 -0.310 8.020 19.762 1.00 25.00 C ATOM 426 C LYS A 25 0.717 8.148 18.650 1.00 25.00 C ATOM 427 O LYS A 25 1.858 8.518 18.881 1.00 25.00 O ATOM 428 CB LYS A 25 -0.025 8.972 20.927 1.00 25.00 C ATOM 429 CG LYS A 25 -1.124 8.887 21.996 1.00 25.00 C ATOM 430 CD LYS A 25 -0.765 9.619 23.277 1.00 25.00 C ATOM 431 CE LYS A 25 -1.868 9.419 24.328 1.00 25.00 C ATOM 432 NZ LYS A 25 -2.041 7.960 24.714 1.00 25.00 N ATOM 0 H LYS A 25 0.424 6.427 20.913 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.277 8.285 19.335 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.939 8.727 21.373 1.00 25.00 H new ATOM 0 HB3 LYS A 25 0.046 9.994 20.556 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.048 9.303 21.593 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.320 7.840 22.225 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.186 9.249 23.662 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -0.635 10.682 23.073 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -1.629 10.002 25.218 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -2.811 9.804 23.939 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -2.670 7.892 25.540 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -2.457 7.437 23.917 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -1.114 7.551 24.950 1.00 25.00 H new ATOM 446 N VAL A 26 0.290 7.797 17.448 1.00 25.00 N ATOM 447 CA VAL A 26 1.147 7.826 16.261 1.00 25.00 C ATOM 448 C VAL A 26 0.410 8.642 15.205 1.00 25.00 C ATOM 449 O VAL A 26 -0.807 8.515 15.067 1.00 25.00 O ATOM 450 CB VAL A 26 1.415 6.376 15.721 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.404 6.390 14.545 1.00 25.00 C ATOM 452 CG2 VAL A 26 1.978 5.485 16.832 1.00 25.00 C ATOM 0 H VAL A 26 -0.662 7.482 17.261 1.00 25.00 H new ATOM 0 HA VAL A 26 2.114 8.265 16.504 1.00 25.00 H new ATOM 0 HB VAL A 26 0.461 5.978 15.376 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.568 5.371 14.195 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.995 6.991 13.733 1.00 25.00 H new ATOM 0 HG13 VAL A 26 3.352 6.818 14.872 1.00 25.00 H new ATOM 0 HG21 VAL A 26 2.158 4.484 16.440 1.00 25.00 H new ATOM 0 HG22 VAL A 26 2.915 5.906 17.196 1.00 25.00 H new ATOM 0 HG23 VAL A 26 1.262 5.430 17.652 1.00 25.00 H new ATOM 462 N LYS A 27 1.131 9.481 14.470 1.00 25.00 N ATOM 463 CA LYS A 27 0.529 10.259 13.383 1.00 25.00 C ATOM 464 C LYS A 27 -0.011 9.248 12.377 1.00 25.00 C ATOM 465 O LYS A 27 0.638 8.254 12.104 1.00 25.00 O ATOM 466 CB LYS A 27 1.591 11.164 12.744 1.00 25.00 C ATOM 467 CG LYS A 27 1.049 12.236 11.793 1.00 25.00 C ATOM 468 CD LYS A 27 2.180 13.156 11.293 1.00 25.00 C ATOM 469 CE LYS A 27 2.861 12.614 10.031 1.00 25.00 C ATOM 470 NZ LYS A 27 4.355 12.817 10.055 1.00 25.00 N ATOM 0 H LYS A 27 2.129 9.643 14.603 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.272 10.905 13.741 1.00 25.00 H new ATOM 0 HB2 LYS A 27 2.152 11.656 13.539 1.00 25.00 H new ATOM 0 HB3 LYS A 27 2.296 10.539 12.197 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.561 11.759 10.943 1.00 25.00 H new ATOM 0 HG3 LYS A 27 0.291 12.830 12.304 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.774 14.146 11.086 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.923 13.274 12.081 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.643 11.551 9.931 1.00 25.00 H new ATOM 0 HE3 LYS A 27 2.443 13.109 9.154 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 4.751 12.593 9.120 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 4.567 13.807 10.293 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 4.779 12.191 10.769 1.00 25.00 H new ATOM 484 N PHE A 28 -1.197 9.483 11.841 1.00 25.00 N ATOM 485 CA PHE A 28 -1.839 8.510 10.951 1.00 25.00 C ATOM 486 C PHE A 28 -0.968 8.114 9.764 1.00 25.00 C ATOM 487 O PHE A 28 -0.775 6.933 9.508 1.00 25.00 O ATOM 488 CB PHE A 28 -3.175 9.074 10.466 1.00 25.00 C ATOM 489 CG PHE A 28 -4.116 8.023 9.979 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.963 7.369 10.887 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.155 7.658 8.621 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.826 6.350 10.456 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.026 6.634 8.187 1.00 25.00 C ATOM 494 CZ PHE A 28 -5.852 5.981 9.121 1.00 25.00 C ATOM 0 H PHE A 28 -1.738 10.332 12.001 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.999 7.599 11.528 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.646 9.625 11.280 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.991 9.787 9.663 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.950 7.653 11.929 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -3.518 8.162 7.909 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.471 5.853 11.166 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -5.058 6.354 7.144 1.00 25.00 H new ATOM 0 HZ PHE A 28 -6.509 5.188 8.795 1.00 25.00 H new ATOM 504 N ALA A 29 -0.396 9.093 9.081 1.00 25.00 N ATOM 505 CA ALA A 29 0.478 8.816 7.946 1.00 25.00 C ATOM 506 C ALA A 29 1.698 7.989 8.369 1.00 25.00 C ATOM 507 O ALA A 29 2.175 7.153 7.622 1.00 25.00 O ATOM 508 CB ALA A 29 0.932 10.132 7.315 1.00 25.00 C ATOM 0 H ALA A 29 -0.519 10.084 9.290 1.00 25.00 H new ATOM 0 HA ALA A 29 -0.084 8.233 7.216 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.585 9.923 6.467 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.061 10.691 6.973 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.474 10.722 8.054 1.00 25.00 H new ATOM 514 N ASP A 30 2.196 8.235 9.571 1.00 25.00 N ATOM 515 CA ASP A 30 3.394 7.550 10.054 1.00 25.00 C ATOM 516 C ASP A 30 3.065 6.123 10.476 1.00 25.00 C ATOM 517 O ASP A 30 3.901 5.242 10.374 1.00 25.00 O ATOM 518 CB ASP A 30 4.015 8.305 11.232 1.00 25.00 C ATOM 519 CG ASP A 30 4.560 9.668 10.833 1.00 25.00 C ATOM 520 OD1 ASP A 30 4.706 9.943 9.623 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.739 10.517 11.733 1.00 25.00 O ATOM 0 H ASP A 30 1.794 8.901 10.231 1.00 25.00 H new ATOM 0 HA ASP A 30 4.113 7.521 9.236 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.265 8.432 12.013 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.820 7.707 11.658 1.00 25.00 H new ATOM 526 N LEU A 31 1.837 5.873 10.908 1.00 25.00 N ATOM 527 CA LEU A 31 1.429 4.507 11.238 1.00 25.00 C ATOM 528 C LEU A 31 1.368 3.726 9.933 1.00 25.00 C ATOM 529 O LEU A 31 1.953 2.650 9.801 1.00 25.00 O ATOM 530 CB LEU A 31 0.066 4.491 11.952 1.00 25.00 C ATOM 531 CG LEU A 31 -0.504 3.139 12.449 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.327 2.454 11.371 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.566 2.166 12.944 1.00 25.00 C ATOM 0 H LEU A 31 1.114 6.581 11.038 1.00 25.00 H new ATOM 0 HA LEU A 31 2.145 4.053 11.923 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.138 5.155 12.814 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.667 4.928 11.273 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.137 3.397 13.298 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.712 1.508 11.753 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.160 3.096 11.086 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.700 2.265 10.500 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.092 1.242 13.276 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.261 1.947 12.134 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.109 2.615 13.776 1.00 25.00 H new ATOM 545 N LEU A 32 0.691 4.296 8.951 1.00 25.00 N ATOM 546 CA LEU A 32 0.584 3.659 7.634 1.00 25.00 C ATOM 547 C LEU A 32 1.922 3.554 6.923 1.00 25.00 C ATOM 548 O LEU A 32 2.096 2.708 6.065 1.00 25.00 O ATOM 549 CB LEU A 32 -0.396 4.408 6.727 1.00 25.00 C ATOM 550 CG LEU A 32 -1.878 4.013 6.831 1.00 25.00 C ATOM 551 CD1 LEU A 32 -2.120 2.522 6.581 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.432 4.392 8.166 1.00 25.00 C ATOM 0 H LEU A 32 0.208 5.191 9.031 1.00 25.00 H new ATOM 0 HA LEU A 32 0.214 2.652 7.826 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.312 5.473 6.943 1.00 25.00 H new ATOM 0 HB3 LEU A 32 -0.079 4.267 5.694 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.395 4.563 6.044 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.185 2.307 6.669 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.778 2.261 5.580 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.570 1.936 7.317 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.482 4.104 8.219 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.875 3.879 8.950 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.344 5.470 8.304 1.00 25.00 H new ATOM 564 N LYS A 33 2.894 4.353 7.320 1.00 25.00 N ATOM 565 CA LYS A 33 4.247 4.223 6.757 1.00 25.00 C ATOM 566 C LYS A 33 4.819 2.838 7.056 1.00 25.00 C ATOM 567 O LYS A 33 5.502 2.254 6.229 1.00 25.00 O ATOM 568 CB LYS A 33 5.188 5.311 7.289 1.00 25.00 C ATOM 569 CG LYS A 33 6.619 5.133 6.808 1.00 25.00 C ATOM 570 CD LYS A 33 7.477 6.360 7.066 1.00 25.00 C ATOM 571 CE LYS A 33 8.928 6.111 6.626 1.00 25.00 C ATOM 572 NZ LYS A 33 9.044 5.818 5.146 1.00 25.00 N ATOM 0 H LYS A 33 2.788 5.090 8.017 1.00 25.00 H new ATOM 0 HA LYS A 33 4.167 4.350 5.677 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.822 6.288 6.974 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.171 5.300 8.379 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.062 4.272 7.308 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.615 4.914 5.740 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.070 7.215 6.526 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.451 6.611 8.126 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.533 6.985 6.868 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.337 5.274 7.192 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.047 5.809 4.872 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.620 4.890 4.941 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.544 6.553 4.606 1.00 25.00 H new ATOM 586 N PHE A 34 4.505 2.278 8.210 1.00 25.00 N ATOM 587 CA PHE A 34 4.981 0.933 8.537 1.00 25.00 C ATOM 588 C PHE A 34 4.174 -0.137 7.802 1.00 25.00 C ATOM 589 O PHE A 34 4.686 -1.212 7.514 1.00 25.00 O ATOM 590 CB PHE A 34 4.971 0.720 10.047 1.00 25.00 C ATOM 591 CG PHE A 34 6.112 1.413 10.738 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.030 2.778 11.057 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.297 0.713 11.035 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.109 3.447 11.676 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.389 1.372 11.649 1.00 25.00 C ATOM 596 CZ PHE A 34 8.291 2.744 11.970 1.00 25.00 C ATOM 0 H PHE A 34 3.933 2.719 8.930 1.00 25.00 H new ATOM 0 HA PHE A 34 6.011 0.838 8.194 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.029 1.085 10.455 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.018 -0.348 10.260 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.128 3.325 10.825 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.374 -0.337 10.792 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.027 4.495 11.923 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.295 0.827 11.871 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.121 3.251 12.440 1.00 25.00 H new ATOM 606 N PHE A 35 2.948 0.192 7.418 1.00 25.00 N ATOM 607 CA PHE A 35 2.131 -0.700 6.582 1.00 25.00 C ATOM 608 C PHE A 35 2.678 -0.644 5.145 1.00 25.00 C ATOM 609 O PHE A 35 2.426 -1.524 4.336 1.00 25.00 O ATOM 610 CB PHE A 35 0.652 -0.266 6.579 1.00 25.00 C ATOM 611 CG PHE A 35 -0.116 -0.629 7.836 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.361 -0.299 9.124 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.355 -1.292 7.726 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.379 -0.641 10.281 1.00 25.00 C ATOM 615 CE2 PHE A 35 -2.104 -1.631 8.887 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.611 -1.306 10.158 1.00 25.00 C ATOM 0 H PHE A 35 2.490 1.069 7.668 1.00 25.00 H new ATOM 0 HA PHE A 35 2.184 -1.712 6.984 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.604 0.814 6.439 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.155 -0.721 5.722 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.302 0.221 9.227 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.740 -1.545 6.749 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.004 -0.391 11.259 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -3.052 -2.139 8.789 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.176 -1.566 11.041 1.00 25.00 H new ATOM 626 N ASP A 36 3.420 0.408 4.833 1.00 25.00 N ATOM 627 CA ASP A 36 4.057 0.561 3.525 1.00 25.00 C ATOM 628 C ASP A 36 5.398 -0.168 3.502 1.00 25.00 C ATOM 629 O ASP A 36 5.802 -0.727 2.496 1.00 25.00 O ATOM 630 CB ASP A 36 4.276 2.050 3.234 1.00 25.00 C ATOM 631 CG ASP A 36 4.077 2.400 1.778 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.118 1.884 1.163 1.00 25.00 O ATOM 633 OD2 ASP A 36 4.777 3.299 1.287 1.00 25.00 O ATOM 0 H ASP A 36 3.600 1.180 5.475 1.00 25.00 H new ATOM 0 HA ASP A 36 3.409 0.130 2.762 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.588 2.639 3.841 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.286 2.329 3.535 1.00 25.00 H new ATOM 638 N PHE A 37 6.076 -0.158 4.641 1.00 25.00 N ATOM 639 CA PHE A 37 7.410 -0.750 4.776 1.00 25.00 C ATOM 640 C PHE A 37 7.432 -2.254 4.501 1.00 25.00 C ATOM 641 O PHE A 37 8.376 -2.768 3.916 1.00 25.00 O ATOM 642 CB PHE A 37 7.932 -0.471 6.189 1.00 25.00 C ATOM 643 CG PHE A 37 9.367 -0.865 6.391 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.403 -0.097 5.825 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.697 -2.005 7.148 1.00 25.00 C ATOM 646 CE1 PHE A 37 11.758 -0.463 6.011 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.049 -2.378 7.339 1.00 25.00 C ATOM 648 CZ PHE A 37 12.078 -1.602 6.767 1.00 25.00 C ATOM 0 H PHE A 37 5.721 0.260 5.501 1.00 25.00 H new ATOM 0 HA PHE A 37 8.052 -0.290 4.024 1.00 25.00 H new ATOM 0 HB2 PHE A 37 7.823 0.592 6.404 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.313 -1.007 6.908 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.161 0.780 5.243 1.00 25.00 H new ATOM 0 HD2 PHE A 37 8.911 -2.601 7.587 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.544 0.133 5.572 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.292 -3.255 7.921 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.111 -1.883 6.910 1.00 25.00 H new ATOM 658 N VAL A 38 6.373 -2.955 4.880 1.00 25.00 N ATOM 659 CA VAL A 38 6.292 -4.397 4.616 1.00 25.00 C ATOM 660 C VAL A 38 6.297 -4.658 3.110 1.00 25.00 C ATOM 661 O VAL A 38 6.888 -5.624 2.657 1.00 25.00 O ATOM 662 CB VAL A 38 5.035 -5.061 5.308 1.00 25.00 C ATOM 663 CG1 VAL A 38 3.917 -4.059 5.513 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.501 -6.276 4.508 1.00 25.00 C ATOM 0 H VAL A 38 5.566 -2.563 5.364 1.00 25.00 H new ATOM 0 HA VAL A 38 7.173 -4.865 5.056 1.00 25.00 H new ATOM 0 HB VAL A 38 5.377 -5.414 6.281 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.070 -4.551 5.991 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.269 -3.246 6.148 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.606 -3.658 4.548 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.638 -6.699 5.022 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.207 -5.953 3.509 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.283 -7.032 4.429 1.00 25.00 H new ATOM 674 N LYS A 39 5.683 -3.777 2.330 1.00 25.00 N ATOM 675 CA LYS A 39 5.637 -3.951 0.873 1.00 25.00 C ATOM 676 C LYS A 39 7.038 -3.890 0.270 1.00 25.00 C ATOM 677 O LYS A 39 7.336 -4.601 -0.679 1.00 25.00 O ATOM 678 CB LYS A 39 4.762 -2.862 0.244 1.00 25.00 C ATOM 679 CG LYS A 39 4.449 -3.090 -1.225 1.00 25.00 C ATOM 680 CD LYS A 39 3.610 -1.953 -1.778 1.00 25.00 C ATOM 681 CE LYS A 39 3.216 -2.203 -3.229 1.00 25.00 C ATOM 682 NZ LYS A 39 2.361 -1.079 -3.759 1.00 25.00 N ATOM 0 H LYS A 39 5.212 -2.940 2.673 1.00 25.00 H new ATOM 0 HA LYS A 39 5.211 -4.932 0.662 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.826 -2.798 0.798 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.263 -1.900 0.353 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.377 -3.172 -1.791 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.917 -4.033 -1.346 1.00 25.00 H new ATOM 0 HD2 LYS A 39 2.712 -1.834 -1.172 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.169 -1.020 -1.707 1.00 25.00 H new ATOM 0 HE2 LYS A 39 4.113 -2.302 -3.841 1.00 25.00 H new ATOM 0 HE3 LYS A 39 2.673 -3.145 -3.305 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 2.106 -1.273 -4.748 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 1.496 -1.002 -3.187 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 2.891 -0.186 -3.707 1.00 25.00 H new ATOM 696 N ASP A 40 7.878 -3.031 0.826 1.00 25.00 N ATOM 697 CA ASP A 40 9.246 -2.850 0.333 1.00 25.00 C ATOM 698 C ASP A 40 10.095 -4.099 0.579 1.00 25.00 C ATOM 699 O ASP A 40 10.691 -4.647 -0.341 1.00 25.00 O ATOM 700 CB ASP A 40 9.887 -1.649 1.037 1.00 25.00 C ATOM 701 CG ASP A 40 11.246 -1.296 0.466 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.302 -0.826 -0.690 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.252 -1.415 1.201 1.00 25.00 O ATOM 0 H ASP A 40 7.640 -2.442 1.624 1.00 25.00 H new ATOM 0 HA ASP A 40 9.202 -2.675 -0.742 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.226 -0.787 0.951 1.00 25.00 H new ATOM 0 HB3 ASP A 40 9.989 -1.868 2.100 1.00 25.00 H new ATOM 708 N THR A 41 10.132 -4.558 1.823 1.00 25.00 N ATOM 709 CA THR A 41 10.952 -5.719 2.178 1.00 25.00 C ATOM 710 C THR A 41 10.357 -7.035 1.677 1.00 25.00 C ATOM 711 O THR A 41 11.068 -7.998 1.408 1.00 25.00 O ATOM 712 CB THR A 41 11.110 -5.812 3.703 1.00 25.00 C ATOM 713 OG1 THR A 41 11.157 -4.493 4.251 1.00 25.00 O ATOM 714 CG2 THR A 41 12.385 -6.528 4.075 1.00 25.00 C ATOM 0 H THR A 41 9.611 -4.152 2.600 1.00 25.00 H new ATOM 0 HA THR A 41 11.918 -5.572 1.695 1.00 25.00 H new ATOM 0 HB THR A 41 10.262 -6.369 4.100 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.055 -4.539 5.225 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.470 -6.579 5.160 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.368 -7.538 3.665 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.239 -5.985 3.669 1.00 25.00 H new ATOM 722 N CYS A 42 9.039 -7.077 1.563 1.00 25.00 N ATOM 723 CA CYS A 42 8.329 -8.262 1.089 1.00 25.00 C ATOM 724 C CYS A 42 7.518 -7.922 -0.161 1.00 25.00 C ATOM 725 O CYS A 42 6.298 -7.741 -0.084 1.00 25.00 O ATOM 726 CB CYS A 42 7.391 -8.779 2.179 1.00 25.00 C ATOM 727 SG CYS A 42 8.231 -9.178 3.708 1.00 25.00 S ATOM 0 H CYS A 42 8.429 -6.293 1.795 1.00 25.00 H new ATOM 0 HA CYS A 42 9.059 -9.034 0.845 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.628 -8.027 2.378 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.876 -9.667 1.813 1.00 25.00 H new ATOM 0 HG CYS A 42 9.385 -9.714 3.442 1.00 25.00 H new ATOM 733 N PRO A 43 8.165 -7.872 -1.338 1.00 25.00 N ATOM 734 CA PRO A 43 7.437 -7.502 -2.560 1.00 25.00 C ATOM 735 C PRO A 43 6.471 -8.588 -3.016 1.00 25.00 C ATOM 736 O PRO A 43 5.590 -8.358 -3.842 1.00 25.00 O ATOM 737 CB PRO A 43 8.564 -7.292 -3.573 1.00 25.00 C ATOM 738 CG PRO A 43 9.628 -8.229 -3.128 1.00 25.00 C ATOM 739 CD PRO A 43 9.585 -8.158 -1.624 1.00 25.00 C ATOM 0 HA PRO A 43 6.804 -6.626 -2.422 1.00 25.00 H new ATOM 0 HB2 PRO A 43 8.235 -7.515 -4.588 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.915 -6.260 -3.571 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.439 -9.242 -3.483 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.604 -7.933 -3.512 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.907 -9.094 -1.168 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.238 -7.375 -1.239 1.00 25.00 H new ATOM 747 N TRP A 44 6.618 -9.771 -2.445 1.00 25.00 N ATOM 748 CA TRP A 44 5.735 -10.891 -2.725 1.00 25.00 C ATOM 749 C TRP A 44 4.499 -10.880 -1.829 1.00 25.00 C ATOM 750 O TRP A 44 3.494 -11.479 -2.166 1.00 25.00 O ATOM 751 CB TRP A 44 6.508 -12.190 -2.527 1.00 25.00 C ATOM 752 CG TRP A 44 7.510 -12.080 -1.412 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.256 -11.919 -0.095 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.949 -12.091 -1.523 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.402 -11.841 0.640 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.472 -11.936 -0.204 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.849 -12.207 -2.601 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.854 -11.891 0.060 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.244 -12.166 -2.339 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.728 -12.003 -1.007 1.00 25.00 C ATOM 0 H TRP A 44 7.355 -9.983 -1.772 1.00 25.00 H new ATOM 0 HA TRP A 44 5.389 -10.807 -3.755 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.810 -12.999 -2.310 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.021 -12.452 -3.452 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.263 -11.859 0.326 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.452 -11.730 1.653 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.484 -12.325 -3.610 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.222 -11.772 1.068 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.945 -12.259 -3.155 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.793 -11.966 -0.829 1.00 25.00 H new ATOM 771 N PHE A 45 4.550 -10.179 -0.704 1.00 25.00 N ATOM 772 CA PHE A 45 3.409 -10.152 0.217 1.00 25.00 C ATOM 773 C PHE A 45 2.142 -9.538 -0.410 1.00 25.00 C ATOM 774 O PHE A 45 1.063 -10.128 -0.308 1.00 25.00 O ATOM 775 CB PHE A 45 3.777 -9.419 1.510 1.00 25.00 C ATOM 776 CG PHE A 45 2.738 -9.545 2.589 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.737 -10.661 3.447 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.750 -8.558 2.752 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.766 -10.787 4.470 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.767 -8.679 3.765 1.00 25.00 C ATOM 781 CZ PHE A 45 0.779 -9.795 4.629 1.00 25.00 C ATOM 0 H PHE A 45 5.354 -9.627 -0.405 1.00 25.00 H new ATOM 0 HA PHE A 45 3.172 -11.191 0.447 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.724 -9.809 1.882 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.932 -8.363 1.288 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.485 -11.430 3.324 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.740 -7.699 2.098 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.782 -11.643 5.128 1.00 25.00 H new ATOM 0 HE2 PHE A 45 0.009 -7.918 3.876 1.00 25.00 H new ATOM 0 HZ PHE A 45 0.036 -9.888 5.407 1.00 25.00 H new ATOM 791 N PRO A 46 2.248 -8.377 -1.107 1.00 25.00 N ATOM 792 CA PRO A 46 0.975 -7.952 -1.701 1.00 25.00 C ATOM 793 C PRO A 46 0.509 -8.841 -2.855 1.00 25.00 C ATOM 794 O PRO A 46 -0.672 -8.877 -3.170 1.00 25.00 O ATOM 795 CB PRO A 46 1.289 -6.538 -2.197 1.00 25.00 C ATOM 796 CG PRO A 46 2.720 -6.591 -2.535 1.00 25.00 C ATOM 797 CD PRO A 46 3.319 -7.407 -1.423 1.00 25.00 C ATOM 0 HA PRO A 46 0.157 -8.008 -0.983 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.683 -6.275 -3.064 1.00 25.00 H new ATOM 0 HB3 PRO A 46 1.087 -5.791 -1.429 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.885 -7.056 -3.507 1.00 25.00 H new ATOM 0 HG3 PRO A 46 3.158 -5.594 -2.581 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.236 -7.906 -1.737 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.572 -6.790 -0.561 1.00 25.00 H new ATOM 805 N GLN A 47 1.435 -9.568 -3.469 1.00 25.00 N ATOM 806 CA GLN A 47 1.110 -10.450 -4.588 1.00 25.00 C ATOM 807 C GLN A 47 0.419 -11.726 -4.103 1.00 25.00 C ATOM 808 O GLN A 47 -0.374 -12.314 -4.826 1.00 25.00 O ATOM 809 CB GLN A 47 2.379 -10.798 -5.369 1.00 25.00 C ATOM 810 CG GLN A 47 3.016 -9.580 -6.035 1.00 25.00 C ATOM 811 CD GLN A 47 4.185 -9.954 -6.914 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.014 -10.441 -8.020 1.00 25.00 O ATOM 813 NE2 GLN A 47 5.375 -9.718 -6.435 1.00 25.00 N ATOM 0 H GLN A 47 2.422 -9.565 -3.211 1.00 25.00 H new ATOM 0 HA GLN A 47 0.419 -9.923 -5.247 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.101 -11.257 -4.694 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.139 -11.540 -6.131 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.266 -9.062 -6.633 1.00 25.00 H new ATOM 0 HG3 GLN A 47 3.350 -8.882 -5.267 1.00 25.00 H new ATOM 0 HE21 GLN A 47 5.479 -9.310 -5.506 1.00 25.00 H new ATOM 0 HE22 GLN A 47 6.201 -9.942 -6.989 1.00 25.00 H new ATOM 822 N GLU A 48 0.672 -12.119 -2.859 1.00 25.00 N ATOM 823 CA GLU A 48 -0.029 -13.264 -2.270 1.00 25.00 C ATOM 824 C GLU A 48 -1.495 -12.901 -2.048 1.00 25.00 C ATOM 825 O GLU A 48 -2.364 -13.774 -2.030 1.00 25.00 O ATOM 826 CB GLU A 48 0.593 -13.666 -0.928 1.00 25.00 C ATOM 827 CG GLU A 48 1.930 -14.382 -1.053 1.00 25.00 C ATOM 828 CD GLU A 48 2.370 -14.985 0.268 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.615 -14.239 1.234 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.345 -16.234 0.378 1.00 25.00 O ATOM 0 H GLU A 48 1.349 -11.670 -2.242 1.00 25.00 H new ATOM 0 HA GLU A 48 0.056 -14.105 -2.958 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.727 -12.772 -0.320 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.105 -14.312 -0.395 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.853 -15.168 -1.804 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.687 -13.680 -1.403 1.00 25.00 H new ATOM 837 N GLY A 49 -1.758 -11.611 -1.867 1.00 25.00 N ATOM 838 CA GLY A 49 -3.120 -11.117 -1.723 1.00 25.00 C ATOM 839 C GLY A 49 -3.889 -11.710 -0.561 1.00 25.00 C ATOM 840 O GLY A 49 -5.112 -11.730 -0.583 1.00 25.00 O ATOM 0 H GLY A 49 -1.041 -10.887 -1.817 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.089 -10.034 -1.605 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.665 -11.322 -2.644 1.00 25.00 H new ATOM 844 N THR A 50 -3.185 -12.233 0.431 1.00 25.00 N ATOM 845 CA THR A 50 -3.820 -12.928 1.547 1.00 25.00 C ATOM 846 C THR A 50 -3.308 -12.380 2.865 1.00 25.00 C ATOM 847 O THR A 50 -2.095 -12.298 3.076 1.00 25.00 O ATOM 848 CB THR A 50 -3.503 -14.436 1.491 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.854 -14.959 0.207 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.281 -15.207 2.548 1.00 25.00 C ATOM 0 H THR A 50 -2.168 -12.190 0.488 1.00 25.00 H new ATOM 0 HA THR A 50 -4.896 -12.773 1.472 1.00 25.00 H new ATOM 0 HB THR A 50 -2.435 -14.553 1.676 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.265 -14.575 -0.475 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.034 -16.267 2.481 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.017 -14.835 3.538 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.350 -15.072 2.383 1.00 25.00 H new ATOM 858 N ILE A 51 -4.217 -12.014 3.757 1.00 25.00 N ATOM 859 CA ILE A 51 -3.837 -11.464 5.050 1.00 25.00 C ATOM 860 C ILE A 51 -4.231 -12.416 6.151 1.00 25.00 C ATOM 861 O ILE A 51 -5.396 -12.609 6.479 1.00 25.00 O ATOM 862 CB ILE A 51 -4.490 -10.112 5.342 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.289 -9.132 4.188 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.931 -9.500 6.667 1.00 25.00 C ATOM 865 CD1 ILE A 51 -2.878 -8.690 3.877 1.00 25.00 C ATOM 0 H ILE A 51 -5.223 -12.088 3.609 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.757 -11.321 5.013 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.560 -10.286 5.457 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.704 -9.585 3.288 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -4.880 -8.241 4.398 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.410 -8.539 6.854 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.139 -10.176 7.496 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.854 -9.357 6.576 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -2.891 -7.997 3.036 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.451 -8.195 4.749 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.272 -9.559 3.621 1.00 25.00 H new ATOM 877 N ASP A 52 -3.211 -12.976 6.755 1.00 25.00 N ATOM 878 CA ASP A 52 -3.374 -13.851 7.905 1.00 25.00 C ATOM 879 C ASP A 52 -2.089 -13.831 8.684 1.00 25.00 C ATOM 880 O ASP A 52 -1.047 -13.439 8.168 1.00 25.00 O ATOM 881 CB ASP A 52 -3.676 -15.291 7.510 1.00 25.00 C ATOM 882 CG ASP A 52 -3.909 -16.170 8.722 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.650 -15.742 9.641 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.125 -17.126 8.885 1.00 25.00 O ATOM 0 H ASP A 52 -2.242 -12.842 6.468 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.219 -13.488 8.490 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.557 -15.315 6.869 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.846 -15.689 6.926 1.00 25.00 H new ATOM 889 N ILE A 53 -2.151 -14.277 9.922 1.00 25.00 N ATOM 890 CA ILE A 53 -1.004 -14.286 10.789 1.00 25.00 C ATOM 891 C ILE A 53 0.061 -15.254 10.290 1.00 25.00 C ATOM 892 O ILE A 53 1.245 -14.980 10.413 1.00 25.00 O ATOM 893 CB ILE A 53 -1.445 -14.613 12.231 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.275 -14.422 13.200 1.00 25.00 C ATOM 895 CG2 ILE A 53 -2.015 -16.052 12.360 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.228 -12.998 13.329 1.00 25.00 C ATOM 0 H ILE A 53 -3.002 -14.643 10.350 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.551 -13.295 10.784 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.247 -13.921 12.488 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.579 -14.774 14.186 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.551 -15.055 12.876 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.311 -16.235 13.393 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.883 -16.159 11.709 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -1.251 -16.773 12.069 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.056 -12.967 14.037 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.569 -12.643 12.356 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.579 -12.358 13.686 1.00 25.00 H new ATOM 908 N LYS A 54 -0.343 -16.352 9.665 1.00 25.00 N ATOM 909 CA LYS A 54 0.620 -17.330 9.151 1.00 25.00 C ATOM 910 C LYS A 54 1.405 -16.719 7.994 1.00 25.00 C ATOM 911 O LYS A 54 2.573 -17.037 7.790 1.00 25.00 O ATOM 912 CB LYS A 54 -0.118 -18.596 8.694 1.00 25.00 C ATOM 913 CG LYS A 54 -0.868 -19.316 9.837 1.00 25.00 C ATOM 914 CD LYS A 54 -1.936 -20.285 9.305 1.00 25.00 C ATOM 915 CE LYS A 54 -1.356 -21.613 8.823 1.00 25.00 C ATOM 916 NZ LYS A 54 -0.944 -22.483 9.981 1.00 25.00 N ATOM 0 H LYS A 54 -1.321 -16.591 9.500 1.00 25.00 H new ATOM 0 HA LYS A 54 1.319 -17.602 9.942 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.830 -18.330 7.913 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.600 -19.285 8.250 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.153 -19.865 10.450 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.340 -18.576 10.483 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.666 -20.479 10.091 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -2.471 -19.810 8.483 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.095 -22.137 8.217 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -0.495 -21.425 8.182 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -0.633 -23.410 9.626 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -0.162 -22.029 10.495 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -1.752 -22.612 10.623 1.00 25.00 H new ATOM 930 N ARG A 55 0.771 -15.805 7.272 1.00 25.00 N ATOM 931 CA ARG A 55 1.443 -15.059 6.205 1.00 25.00 C ATOM 932 C ARG A 55 2.334 -13.992 6.835 1.00 25.00 C ATOM 933 O ARG A 55 3.477 -13.805 6.445 1.00 25.00 O ATOM 934 CB ARG A 55 0.400 -14.391 5.294 1.00 25.00 C ATOM 935 CG ARG A 55 0.573 -14.714 3.823 1.00 25.00 C ATOM 936 CD ARG A 55 -0.343 -15.851 3.390 1.00 25.00 C ATOM 937 NE ARG A 55 0.012 -16.310 2.041 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.720 -17.092 1.259 1.00 25.00 C ATOM 939 NH1 ARG A 55 -1.893 -17.552 1.616 1.00 25.00 N ATOM 940 NH2 ARG A 55 -0.253 -17.417 0.091 1.00 25.00 N ATOM 0 H ARG A 55 -0.210 -15.559 7.403 1.00 25.00 H new ATOM 0 HA ARG A 55 2.047 -15.741 5.606 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.596 -14.702 5.610 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.454 -13.311 5.428 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.360 -13.827 3.227 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.610 -14.987 3.629 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.264 -16.679 4.095 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.380 -15.517 3.406 1.00 25.00 H new ATOM 0 HE ARG A 55 0.909 -15.997 1.669 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -2.279 -17.311 2.529 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -2.421 -18.151 0.981 1.00 25.00 H new ATOM 0 HH21 ARG A 55 0.659 -17.072 -0.208 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -0.799 -18.017 -0.527 1.00 25.00 H new ATOM 954 N TRP A 56 1.795 -13.321 7.841 1.00 25.00 N ATOM 955 CA TRP A 56 2.481 -12.233 8.539 1.00 25.00 C ATOM 956 C TRP A 56 3.779 -12.656 9.227 1.00 25.00 C ATOM 957 O TRP A 56 4.687 -11.840 9.365 1.00 25.00 O ATOM 958 CB TRP A 56 1.522 -11.635 9.570 1.00 25.00 C ATOM 959 CG TRP A 56 1.966 -10.319 10.135 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.245 -10.035 11.429 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.181 -9.086 9.420 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.604 -8.729 11.594 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.585 -8.110 10.379 1.00 25.00 C ATOM 964 CE3 TRP A 56 2.078 -8.707 8.069 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.902 -6.786 10.020 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.399 -7.380 7.703 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.815 -6.433 8.687 1.00 25.00 C ATOM 0 H TRP A 56 0.861 -13.514 8.203 1.00 25.00 H new ATOM 0 HA TRP A 56 2.768 -11.500 7.785 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.543 -11.507 9.107 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.397 -12.345 10.388 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.190 -10.754 12.233 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.847 -8.288 12.481 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.758 -9.419 7.323 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.205 -6.066 10.766 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.329 -7.079 6.668 1.00 25.00 H new ATOM 0 HH2 TRP A 56 3.065 -5.427 8.385 1.00 25.00 H new ATOM 978 N ARG A 57 3.895 -13.923 9.620 1.00 25.00 N ATOM 979 CA ARG A 57 5.144 -14.422 10.240 1.00 25.00 C ATOM 980 C ARG A 57 6.330 -14.106 9.340 1.00 25.00 C ATOM 981 O ARG A 57 7.319 -13.534 9.778 1.00 25.00 O ATOM 982 CB ARG A 57 5.139 -15.950 10.477 1.00 25.00 C ATOM 983 CG ARG A 57 3.937 -16.549 11.203 1.00 25.00 C ATOM 984 CD ARG A 57 3.583 -15.865 12.520 1.00 25.00 C ATOM 985 NE ARG A 57 3.821 -16.739 13.685 1.00 25.00 N ATOM 986 CZ ARG A 57 3.086 -16.768 14.796 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.039 -16.000 14.973 1.00 25.00 N ATOM 988 NH2 ARG A 57 3.412 -17.595 15.750 1.00 25.00 N ATOM 0 H ARG A 57 3.158 -14.622 9.527 1.00 25.00 H new ATOM 0 HA ARG A 57 5.220 -13.922 11.206 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.224 -16.441 9.507 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.035 -16.205 11.043 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.071 -16.505 10.542 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.136 -17.603 11.398 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.173 -14.955 12.625 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.535 -15.565 12.501 1.00 25.00 H new ATOM 0 HE ARG A 57 4.616 -17.376 13.635 1.00 25.00 H new ATOM 0 HH11 ARG A 57 1.757 -15.346 14.243 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.506 -16.057 15.841 1.00 25.00 H new ATOM 0 HH21 ARG A 57 4.220 -18.208 15.640 1.00 25.00 H new ATOM 0 HH22 ARG A 57 2.859 -17.629 16.607 1.00 25.00 H new ATOM 1002 N ARG A 58 6.178 -14.448 8.068 1.00 25.00 N ATOM 1003 CA ARG A 58 7.244 -14.281 7.073 1.00 25.00 C ATOM 1004 C ARG A 58 7.697 -12.850 6.906 1.00 25.00 C ATOM 1005 O ARG A 58 8.830 -12.610 6.554 1.00 25.00 O ATOM 1006 CB ARG A 58 6.786 -14.803 5.714 1.00 25.00 C ATOM 1007 CG ARG A 58 6.715 -16.310 5.642 1.00 25.00 C ATOM 1008 CD ARG A 58 6.213 -16.754 4.276 1.00 25.00 C ATOM 1009 NE ARG A 58 6.380 -18.204 4.086 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.526 -19.139 4.487 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.417 -18.855 5.127 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.800 -20.390 4.238 1.00 25.00 N ATOM 0 H ARG A 58 5.318 -14.848 7.692 1.00 25.00 H new ATOM 0 HA ARG A 58 8.091 -14.854 7.450 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.803 -14.389 5.487 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.469 -14.442 4.945 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.701 -16.736 5.830 1.00 25.00 H new ATOM 0 HG3 ARG A 58 6.051 -16.687 6.420 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.160 -16.491 4.171 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.755 -16.219 3.496 1.00 25.00 H new ATOM 0 HE ARG A 58 7.223 -18.518 3.605 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.182 -17.884 5.335 1.00 25.00 H new ATOM 0 HH12 ARG A 58 3.789 -19.605 5.417 1.00 25.00 H new ATOM 0 HH21 ARG A 58 6.658 -20.636 3.743 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.157 -21.122 4.538 1.00 25.00 H new ATOM 1026 N VAL A 59 6.821 -11.899 7.169 1.00 25.00 N ATOM 1027 CA VAL A 59 7.175 -10.490 7.034 1.00 25.00 C ATOM 1028 C VAL A 59 8.200 -10.116 8.087 1.00 25.00 C ATOM 1029 O VAL A 59 9.154 -9.391 7.823 1.00 25.00 O ATOM 1030 CB VAL A 59 5.922 -9.601 7.195 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.268 -8.133 7.068 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.894 -9.990 6.156 1.00 25.00 C ATOM 0 H VAL A 59 5.863 -12.070 7.476 1.00 25.00 H new ATOM 0 HA VAL A 59 7.596 -10.330 6.041 1.00 25.00 H new ATOM 0 HB VAL A 59 5.512 -9.757 8.193 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.365 -7.535 7.186 1.00 25.00 H new ATOM 0 HG12 VAL A 59 6.987 -7.861 7.840 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.702 -7.945 6.086 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.009 -9.364 6.268 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.313 -9.851 5.160 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.618 -11.036 6.291 1.00 25.00 H new ATOM 1042 N GLY A 60 8.012 -10.638 9.285 1.00 25.00 N ATOM 1043 CA GLY A 60 8.920 -10.332 10.367 1.00 25.00 C ATOM 1044 C GLY A 60 10.219 -11.083 10.209 1.00 25.00 C ATOM 1045 O GLY A 60 11.288 -10.560 10.518 1.00 25.00 O ATOM 0 H GLY A 60 7.248 -11.268 9.529 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.116 -9.260 10.391 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.458 -10.593 11.319 1.00 25.00 H new ATOM 1049 N ASP A 61 10.126 -12.289 9.671 1.00 25.00 N ATOM 1050 CA ASP A 61 11.307 -13.100 9.386 1.00 25.00 C ATOM 1051 C ASP A 61 12.147 -12.351 8.341 1.00 25.00 C ATOM 1052 O ASP A 61 13.364 -12.245 8.449 1.00 25.00 O ATOM 1053 CB ASP A 61 10.894 -14.482 8.845 1.00 25.00 C ATOM 1054 CG ASP A 61 9.997 -15.263 9.815 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.139 -15.108 11.048 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.116 -16.018 9.326 1.00 25.00 O ATOM 0 H ASP A 61 9.242 -12.732 9.421 1.00 25.00 H new ATOM 0 HA ASP A 61 11.884 -13.259 10.297 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.370 -14.353 7.898 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.790 -15.067 8.637 1.00 25.00 H new ATOM 1061 N CYS A 62 11.462 -11.771 7.361 1.00 25.00 N ATOM 1062 CA CYS A 62 12.106 -10.997 6.302 1.00 25.00 C ATOM 1063 C CYS A 62 12.809 -9.766 6.848 1.00 25.00 C ATOM 1064 O CYS A 62 13.928 -9.461 6.453 1.00 25.00 O ATOM 1065 CB CYS A 62 11.060 -10.536 5.289 1.00 25.00 C ATOM 1066 SG CYS A 62 11.673 -10.467 3.593 1.00 25.00 S ATOM 0 H CYS A 62 10.447 -11.823 7.277 1.00 25.00 H new ATOM 0 HA CYS A 62 12.845 -11.646 5.833 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.205 -11.211 5.330 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.700 -9.548 5.576 1.00 25.00 H new ATOM 0 HG CYS A 62 11.269 -9.367 3.030 1.00 25.00 H new ATOM 1072 N PHE A 63 12.160 -9.057 7.764 1.00 25.00 N ATOM 1073 CA PHE A 63 12.768 -7.866 8.351 1.00 25.00 C ATOM 1074 C PHE A 63 14.051 -8.246 9.060 1.00 25.00 C ATOM 1075 O PHE A 63 14.993 -7.473 9.072 1.00 25.00 O ATOM 1076 CB PHE A 63 11.861 -7.201 9.393 1.00 25.00 C ATOM 1077 CG PHE A 63 10.597 -6.583 8.836 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.542 -6.049 7.530 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.452 -6.495 9.651 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.357 -5.438 7.046 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.268 -5.878 9.179 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.224 -5.348 7.875 1.00 25.00 C ATOM 0 H PHE A 63 11.228 -9.280 8.113 1.00 25.00 H new ATOM 0 HA PHE A 63 12.945 -7.170 7.531 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.585 -7.945 10.141 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.430 -6.427 9.908 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.412 -6.106 6.893 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.477 -6.904 10.650 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.325 -5.042 6.042 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.400 -5.814 9.818 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.324 -4.874 7.513 1.00 25.00 H new ATOM 1092 N GLN A 64 14.081 -9.425 9.663 1.00 25.00 N ATOM 1093 CA GLN A 64 15.258 -9.855 10.406 1.00 25.00 C ATOM 1094 C GLN A 64 16.428 -10.102 9.465 1.00 25.00 C ATOM 1095 O GLN A 64 17.534 -9.645 9.715 1.00 25.00 O ATOM 1096 CB GLN A 64 14.954 -11.121 11.210 1.00 25.00 C ATOM 1097 CG GLN A 64 15.930 -11.359 12.353 1.00 25.00 C ATOM 1098 CD GLN A 64 15.700 -10.402 13.505 1.00 25.00 C ATOM 1099 OE1 GLN A 64 16.315 -9.357 13.598 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.799 -10.758 14.383 1.00 25.00 N ATOM 0 H GLN A 64 13.313 -10.096 9.654 1.00 25.00 H new ATOM 0 HA GLN A 64 15.531 -9.058 11.098 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.944 -11.053 11.613 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.973 -11.981 10.541 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.829 -12.385 12.708 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.951 -11.247 11.987 1.00 25.00 H new ATOM 0 HE21 GLN A 64 14.302 -11.642 14.274 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.593 -10.152 15.177 1.00 25.00 H new ATOM 1109 N ASP A 65 16.185 -10.798 8.367 1.00 25.00 N ATOM 1110 CA ASP A 65 17.257 -11.084 7.413 1.00 25.00 C ATOM 1111 C ASP A 65 17.725 -9.803 6.737 1.00 25.00 C ATOM 1112 O ASP A 65 18.919 -9.601 6.517 1.00 25.00 O ATOM 1113 CB ASP A 65 16.786 -12.086 6.358 1.00 25.00 C ATOM 1114 CG ASP A 65 16.710 -13.508 6.897 1.00 25.00 C ATOM 1115 OD1 ASP A 65 17.369 -13.799 7.924 1.00 25.00 O ATOM 1116 OD2 ASP A 65 16.011 -14.340 6.282 1.00 25.00 O ATOM 0 H ASP A 65 15.271 -11.173 8.111 1.00 25.00 H new ATOM 0 HA ASP A 65 18.092 -11.519 7.962 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.804 -11.787 5.991 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.466 -12.059 5.507 1.00 25.00 H new ATOM 1121 N TYR A 66 16.794 -8.910 6.440 1.00 25.00 N ATOM 1122 CA TYR A 66 17.134 -7.634 5.818 1.00 25.00 C ATOM 1123 C TYR A 66 17.938 -6.773 6.799 1.00 25.00 C ATOM 1124 O TYR A 66 18.894 -6.105 6.411 1.00 25.00 O ATOM 1125 CB TYR A 66 15.854 -6.922 5.383 1.00 25.00 C ATOM 1126 CG TYR A 66 16.015 -6.029 4.170 1.00 25.00 C ATOM 1127 CD1 TYR A 66 16.061 -6.585 2.875 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.083 -4.626 4.296 1.00 25.00 C ATOM 1129 CE1 TYR A 66 16.171 -5.755 1.727 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.184 -3.794 3.149 1.00 25.00 C ATOM 1131 CZ TYR A 66 16.227 -4.369 1.877 1.00 25.00 C ATOM 1132 OH TYR A 66 16.313 -3.572 0.766 1.00 25.00 O ATOM 0 H TYR A 66 15.798 -9.042 6.618 1.00 25.00 H new ATOM 0 HA TYR A 66 17.751 -7.807 4.936 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.091 -7.671 5.169 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.486 -6.321 6.215 1.00 25.00 H new ATOM 0 HD1 TYR A 66 16.012 -7.657 2.754 1.00 25.00 H new ATOM 0 HD2 TYR A 66 16.058 -4.178 5.278 1.00 25.00 H new ATOM 0 HE1 TYR A 66 16.211 -6.195 0.742 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.227 -2.721 3.260 1.00 25.00 H new ATOM 0 HH TYR A 66 16.342 -2.631 1.040 1.00 25.00 H new ATOM 1142 N PHE A 67 17.590 -6.843 8.079 1.00 25.00 N ATOM 1143 CA PHE A 67 18.341 -6.146 9.128 1.00 25.00 C ATOM 1144 C PHE A 67 19.741 -6.742 9.275 1.00 25.00 C ATOM 1145 O PHE A 67 20.710 -6.017 9.439 1.00 25.00 O ATOM 1146 CB PHE A 67 17.594 -6.254 10.464 1.00 25.00 C ATOM 1147 CG PHE A 67 18.296 -5.583 11.613 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.071 -4.223 11.896 1.00 25.00 C ATOM 1149 CD2 PHE A 67 19.172 -6.315 12.438 1.00 25.00 C ATOM 1150 CE1 PHE A 67 18.711 -3.596 12.990 1.00 25.00 C ATOM 1151 CE2 PHE A 67 19.827 -5.695 13.530 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.595 -4.331 13.805 1.00 25.00 C ATOM 0 H PHE A 67 16.790 -7.376 8.421 1.00 25.00 H new ATOM 0 HA PHE A 67 18.434 -5.097 8.846 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.603 -5.815 10.351 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.451 -7.307 10.704 1.00 25.00 H new ATOM 0 HD1 PHE A 67 17.402 -3.651 11.270 1.00 25.00 H new ATOM 0 HD2 PHE A 67 19.346 -7.361 12.235 1.00 25.00 H new ATOM 0 HE1 PHE A 67 18.522 -2.554 13.201 1.00 25.00 H new ATOM 0 HE2 PHE A 67 20.502 -6.265 14.151 1.00 25.00 H new ATOM 0 HZ PHE A 67 20.092 -3.853 14.636 1.00 25.00 H new ATOM 1162 N ASN A 68 19.856 -8.059 9.187 1.00 25.00 N ATOM 1163 CA ASN A 68 21.159 -8.714 9.312 1.00 25.00 C ATOM 1164 C ASN A 68 22.060 -8.365 8.129 1.00 25.00 C ATOM 1165 O ASN A 68 23.274 -8.267 8.271 1.00 25.00 O ATOM 1166 CB ASN A 68 20.999 -10.240 9.376 1.00 25.00 C ATOM 1167 CG ASN A 68 20.389 -10.709 10.674 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.638 -10.148 11.731 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.615 -11.760 10.608 1.00 25.00 N ATOM 0 H ASN A 68 19.073 -8.694 9.031 1.00 25.00 H new ATOM 0 HA ASN A 68 21.615 -8.356 10.235 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.375 -10.571 8.546 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.975 -10.709 9.248 1.00 25.00 H new ATOM 0 HD21 ASN A 68 19.196 -12.139 11.457 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.430 -12.201 9.707 1.00 25.00 H new ATOM 1176 N THR A 69 21.463 -8.204 6.959 1.00 25.00 N ATOM 1177 CA THR A 69 22.225 -7.937 5.739 1.00 25.00 C ATOM 1178 C THR A 69 22.601 -6.462 5.580 1.00 25.00 C ATOM 1179 O THR A 69 23.709 -6.139 5.150 1.00 25.00 O ATOM 1180 CB THR A 69 21.403 -8.369 4.493 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.954 -9.716 4.666 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.239 -8.325 3.223 1.00 25.00 C ATOM 0 H THR A 69 20.453 -8.253 6.823 1.00 25.00 H new ATOM 0 HA THR A 69 23.146 -8.514 5.821 1.00 25.00 H new ATOM 0 HB THR A 69 20.568 -7.675 4.397 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.225 -9.736 5.321 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.628 -8.634 2.375 1.00 25.00 H new ATOM 0 HG22 THR A 69 22.600 -7.309 3.060 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.089 -9.000 3.323 1.00 25.00 H new ATOM 1190 N PHE A 70 21.668 -5.565 5.878 1.00 25.00 N ATOM 1191 CA PHE A 70 21.862 -4.139 5.599 1.00 25.00 C ATOM 1192 C PHE A 70 21.879 -3.227 6.831 1.00 25.00 C ATOM 1193 O PHE A 70 22.012 -2.006 6.707 1.00 25.00 O ATOM 1194 CB PHE A 70 20.769 -3.676 4.646 1.00 25.00 C ATOM 1195 CG PHE A 70 20.715 -4.452 3.364 1.00 25.00 C ATOM 1196 CD1 PHE A 70 21.717 -4.288 2.389 1.00 25.00 C ATOM 1197 CD2 PHE A 70 19.656 -5.343 3.111 1.00 25.00 C ATOM 1198 CE1 PHE A 70 21.667 -5.008 1.170 1.00 25.00 C ATOM 1199 CE2 PHE A 70 19.596 -6.071 1.897 1.00 25.00 C ATOM 1200 CZ PHE A 70 20.603 -5.901 0.926 1.00 25.00 C ATOM 0 H PHE A 70 20.773 -5.794 6.310 1.00 25.00 H new ATOM 0 HA PHE A 70 22.857 -4.052 5.163 1.00 25.00 H new ATOM 0 HB2 PHE A 70 19.805 -3.755 5.148 1.00 25.00 H new ATOM 0 HB3 PHE A 70 20.923 -2.622 4.416 1.00 25.00 H new ATOM 0 HD1 PHE A 70 22.533 -3.605 2.572 1.00 25.00 H new ATOM 0 HD2 PHE A 70 18.880 -5.474 3.851 1.00 25.00 H new ATOM 0 HE1 PHE A 70 22.442 -4.873 0.430 1.00 25.00 H new ATOM 0 HE2 PHE A 70 18.780 -6.755 1.716 1.00 25.00 H new ATOM 0 HZ PHE A 70 20.560 -6.452 -0.002 1.00 25.00 H new ATOM 1210 N GLY A 71 21.775 -3.810 8.013 1.00 25.00 N ATOM 1211 CA GLY A 71 21.886 -3.045 9.245 1.00 25.00 C ATOM 1212 C GLY A 71 20.668 -2.220 9.635 1.00 25.00 C ATOM 1213 O GLY A 71 19.622 -2.244 8.962 1.00 25.00 O ATOM 0 H GLY A 71 21.614 -4.808 8.147 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.107 -3.736 10.059 1.00 25.00 H new ATOM 0 HA3 GLY A 71 22.740 -2.374 9.156 1.00 25.00 H new ATOM 1217 N PRO A 72 20.788 -1.428 10.721 1.00 25.00 N ATOM 1218 CA PRO A 72 19.678 -0.590 11.191 1.00 25.00 C ATOM 1219 C PRO A 72 19.362 0.574 10.259 1.00 25.00 C ATOM 1220 O PRO A 72 18.306 1.196 10.357 1.00 25.00 O ATOM 1221 CB PRO A 72 20.182 -0.087 12.547 1.00 25.00 C ATOM 1222 CG PRO A 72 21.648 -0.043 12.394 1.00 25.00 C ATOM 1223 CD PRO A 72 21.973 -1.275 11.590 1.00 25.00 C ATOM 0 HA PRO A 72 18.742 -1.146 11.240 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.776 0.897 12.783 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.886 -0.756 13.355 1.00 25.00 H new ATOM 0 HG2 PRO A 72 21.968 0.864 11.880 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.150 -0.055 13.361 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.886 -1.148 11.008 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.120 -2.146 12.228 1.00 25.00 H new ATOM 1231 N GLU A 73 20.269 0.836 9.329 1.00 25.00 N ATOM 1232 CA GLU A 73 20.103 1.907 8.351 1.00 25.00 C ATOM 1233 C GLU A 73 19.032 1.546 7.326 1.00 25.00 C ATOM 1234 O GLU A 73 18.554 2.401 6.579 1.00 25.00 O ATOM 1235 CB GLU A 73 21.431 2.152 7.627 1.00 25.00 C ATOM 1236 CG GLU A 73 22.615 2.378 8.567 1.00 25.00 C ATOM 1237 CD GLU A 73 22.352 3.483 9.581 1.00 25.00 C ATOM 1238 OE1 GLU A 73 22.023 4.615 9.167 1.00 25.00 O ATOM 1239 OE2 GLU A 73 22.461 3.208 10.795 1.00 25.00 O ATOM 0 H GLU A 73 21.140 0.315 9.229 1.00 25.00 H new ATOM 0 HA GLU A 73 19.793 2.809 8.879 1.00 25.00 H new ATOM 0 HB2 GLU A 73 21.647 1.298 6.985 1.00 25.00 H new ATOM 0 HB3 GLU A 73 21.325 3.020 6.977 1.00 25.00 H new ATOM 0 HG2 GLU A 73 22.838 1.451 9.095 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.498 2.631 7.980 1.00 25.00 H new ATOM 1246 N LYS A 74 18.668 0.268 7.278 1.00 25.00 N ATOM 1247 CA LYS A 74 17.641 -0.203 6.345 1.00 25.00 C ATOM 1248 C LYS A 74 16.383 -0.642 7.058 1.00 25.00 C ATOM 1249 O LYS A 74 15.290 -0.297 6.621 1.00 25.00 O ATOM 1250 CB LYS A 74 18.179 -1.334 5.480 1.00 25.00 C ATOM 1251 CG LYS A 74 18.580 -0.875 4.077 1.00 25.00 C ATOM 1252 CD LYS A 74 19.815 0.041 4.096 1.00 25.00 C ATOM 1253 CE LYS A 74 20.185 0.492 2.697 1.00 25.00 C ATOM 1254 NZ LYS A 74 19.145 1.435 2.162 1.00 25.00 N ATOM 0 H LYS A 74 19.066 -0.461 7.871 1.00 25.00 H new ATOM 0 HA LYS A 74 17.378 0.640 5.706 1.00 25.00 H new ATOM 0 HB2 LYS A 74 19.044 -1.780 5.971 1.00 25.00 H new ATOM 0 HB3 LYS A 74 17.422 -2.114 5.399 1.00 25.00 H new ATOM 0 HG2 LYS A 74 18.786 -1.747 3.456 1.00 25.00 H new ATOM 0 HG3 LYS A 74 17.745 -0.347 3.617 1.00 25.00 H new ATOM 0 HD2 LYS A 74 19.616 0.912 4.721 1.00 25.00 H new ATOM 0 HD3 LYS A 74 20.656 -0.487 4.545 1.00 25.00 H new ATOM 0 HE2 LYS A 74 21.158 0.983 2.711 1.00 25.00 H new ATOM 0 HE3 LYS A 74 20.274 -0.373 2.040 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 19.502 1.892 1.299 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 18.278 0.906 1.940 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 18.934 2.161 2.876 1.00 25.00 H new ATOM 1268 N VAL A 75 16.513 -1.341 8.177 1.00 25.00 N ATOM 1269 CA VAL A 75 15.330 -1.649 8.975 1.00 25.00 C ATOM 1270 C VAL A 75 15.537 -1.008 10.340 1.00 25.00 C ATOM 1271 O VAL A 75 16.522 -1.290 11.009 1.00 25.00 O ATOM 1272 CB VAL A 75 15.186 -3.201 9.169 1.00 25.00 C ATOM 1273 CG1 VAL A 75 13.922 -3.557 9.952 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.174 -3.918 7.827 1.00 25.00 C ATOM 0 H VAL A 75 17.395 -1.697 8.546 1.00 25.00 H new ATOM 0 HA VAL A 75 14.434 -1.276 8.479 1.00 25.00 H new ATOM 0 HB VAL A 75 16.051 -3.532 9.744 1.00 25.00 H new ATOM 0 HG11 VAL A 75 13.857 -4.639 10.066 1.00 25.00 H new ATOM 0 HG12 VAL A 75 13.960 -3.090 10.936 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.046 -3.196 9.413 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.073 -4.991 7.989 1.00 25.00 H new ATOM 0 HG22 VAL A 75 14.334 -3.561 7.231 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.106 -3.717 7.299 1.00 25.00 H new ATOM 1284 N PRO A 76 14.543 -0.262 10.844 1.00 25.00 N ATOM 1285 CA PRO A 76 14.733 0.207 12.217 1.00 25.00 C ATOM 1286 C PRO A 76 14.358 -0.879 13.211 1.00 25.00 C ATOM 1287 O PRO A 76 13.492 -1.701 12.939 1.00 25.00 O ATOM 1288 CB PRO A 76 13.776 1.391 12.304 1.00 25.00 C ATOM 1289 CG PRO A 76 12.663 1.038 11.385 1.00 25.00 C ATOM 1290 CD PRO A 76 13.292 0.253 10.252 1.00 25.00 C ATOM 0 HA PRO A 76 15.764 0.473 12.450 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.418 1.538 13.323 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.263 2.318 12.000 1.00 25.00 H new ATOM 0 HG2 PRO A 76 11.906 0.445 11.898 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.166 1.933 11.011 1.00 25.00 H new ATOM 0 HD2 PRO A 76 12.644 -0.556 9.916 1.00 25.00 H new ATOM 0 HD3 PRO A 76 13.488 0.885 9.386 1.00 25.00 H new ATOM 1298 N VAL A 77 14.930 -0.848 14.403 1.00 25.00 N ATOM 1299 CA VAL A 77 14.569 -1.835 15.423 1.00 25.00 C ATOM 1300 C VAL A 77 13.098 -1.680 15.839 1.00 25.00 C ATOM 1301 O VAL A 77 12.469 -2.623 16.314 1.00 25.00 O ATOM 1302 CB VAL A 77 15.506 -1.745 16.661 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.949 -2.089 16.255 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.463 -0.340 17.302 1.00 25.00 C ATOM 0 H VAL A 77 15.633 -0.167 14.691 1.00 25.00 H new ATOM 0 HA VAL A 77 14.698 -2.824 14.983 1.00 25.00 H new ATOM 0 HB VAL A 77 15.153 -2.464 17.400 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.598 -2.023 17.128 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.982 -3.102 15.853 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.291 -1.386 15.495 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.129 -0.313 18.164 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.784 0.403 16.572 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.445 -0.117 17.623 1.00 25.00 H new ATOM 1314 N THR A 78 12.519 -0.511 15.589 1.00 25.00 N ATOM 1315 CA THR A 78 11.108 -0.296 15.894 1.00 25.00 C ATOM 1316 C THR A 78 10.204 -0.979 14.879 1.00 25.00 C ATOM 1317 O THR A 78 9.044 -1.219 15.166 1.00 25.00 O ATOM 1318 CB THR A 78 10.744 1.209 15.981 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.555 1.369 16.759 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.511 1.842 14.628 1.00 25.00 C ATOM 0 H THR A 78 12.996 0.293 15.181 1.00 25.00 H new ATOM 0 HA THR A 78 10.943 -0.743 16.874 1.00 25.00 H new ATOM 0 HB THR A 78 11.596 1.708 16.443 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.905 0.679 16.509 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.260 2.895 14.757 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.415 1.756 14.025 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.689 1.333 14.125 1.00 25.00 H new ATOM 1328 N ALA A 79 10.717 -1.337 13.709 1.00 25.00 N ATOM 1329 CA ALA A 79 9.881 -2.006 12.720 1.00 25.00 C ATOM 1330 C ALA A 79 9.411 -3.342 13.273 1.00 25.00 C ATOM 1331 O ALA A 79 8.280 -3.729 13.056 1.00 25.00 O ATOM 1332 CB ALA A 79 10.632 -2.199 11.426 1.00 25.00 C ATOM 0 H ALA A 79 11.684 -1.181 13.425 1.00 25.00 H new ATOM 0 HA ALA A 79 9.012 -1.382 12.510 1.00 25.00 H new ATOM 0 HB1 ALA A 79 9.988 -2.700 10.703 1.00 25.00 H new ATOM 0 HB2 ALA A 79 10.933 -1.228 11.032 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.518 -2.808 11.607 1.00 25.00 H new ATOM 1338 N PHE A 80 10.258 -4.009 14.044 1.00 25.00 N ATOM 1339 CA PHE A 80 9.882 -5.272 14.674 1.00 25.00 C ATOM 1340 C PHE A 80 8.826 -5.044 15.758 1.00 25.00 C ATOM 1341 O PHE A 80 7.967 -5.887 15.998 1.00 25.00 O ATOM 1342 CB PHE A 80 11.113 -5.931 15.296 1.00 25.00 C ATOM 1343 CG PHE A 80 12.198 -6.234 14.302 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.174 -7.434 13.568 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.259 -5.329 14.099 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.196 -7.731 12.642 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.285 -5.612 13.166 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.251 -6.815 12.437 1.00 25.00 C ATOM 0 H PHE A 80 11.208 -3.700 14.250 1.00 25.00 H new ATOM 0 HA PHE A 80 9.464 -5.925 13.908 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.513 -5.277 16.070 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.811 -6.857 15.786 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.365 -8.135 13.715 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.290 -4.408 14.662 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.172 -8.659 12.090 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.090 -4.908 13.014 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.030 -7.037 11.722 1.00 25.00 H new ATOM 1358 N SER A 81 8.883 -3.890 16.402 1.00 25.00 N ATOM 1359 CA SER A 81 7.926 -3.546 17.459 1.00 25.00 C ATOM 1360 C SER A 81 6.568 -3.236 16.836 1.00 25.00 C ATOM 1361 O SER A 81 5.536 -3.751 17.270 1.00 25.00 O ATOM 1362 CB SER A 81 8.424 -2.340 18.260 1.00 25.00 C ATOM 1363 OG SER A 81 7.549 -2.052 19.336 1.00 25.00 O ATOM 0 H SER A 81 9.581 -3.169 16.216 1.00 25.00 H new ATOM 0 HA SER A 81 7.828 -4.393 18.138 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.424 -2.541 18.643 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.502 -1.471 17.606 1.00 25.00 H new ATOM 0 HG SER A 81 7.887 -1.279 19.835 1.00 25.00 H new ATOM 1369 N TYR A 82 6.581 -2.455 15.764 1.00 25.00 N ATOM 1370 CA TYR A 82 5.365 -2.162 15.016 1.00 25.00 C ATOM 1371 C TYR A 82 4.811 -3.460 14.472 1.00 25.00 C ATOM 1372 O TYR A 82 3.629 -3.729 14.578 1.00 25.00 O ATOM 1373 CB TYR A 82 5.656 -1.228 13.840 1.00 25.00 C ATOM 1374 CG TYR A 82 5.522 0.233 14.166 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.581 0.967 14.749 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.324 0.899 13.872 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.437 2.351 15.023 1.00 25.00 C ATOM 1378 CE2 TYR A 82 4.179 2.290 14.139 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.241 2.999 14.711 1.00 25.00 C ATOM 1380 OH TYR A 82 5.115 4.340 14.967 1.00 25.00 O ATOM 0 H TYR A 82 7.421 -2.012 15.392 1.00 25.00 H new ATOM 0 HA TYR A 82 4.652 -1.676 15.682 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.668 -1.418 13.482 1.00 25.00 H new ATOM 0 HB3 TYR A 82 4.978 -1.470 13.022 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.509 0.468 14.988 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.501 0.350 13.438 1.00 25.00 H new ATOM 0 HE1 TYR A 82 7.250 2.902 15.472 1.00 25.00 H new ATOM 0 HE2 TYR A 82 3.254 2.795 13.901 1.00 25.00 H new ATOM 0 HH TYR A 82 5.993 4.770 14.897 1.00 25.00 H new ATOM 1390 N TRP A 83 5.677 -4.283 13.911 1.00 25.00 N ATOM 1391 CA TRP A 83 5.259 -5.540 13.322 1.00 25.00 C ATOM 1392 C TRP A 83 4.538 -6.418 14.342 1.00 25.00 C ATOM 1393 O TRP A 83 3.548 -7.070 14.021 1.00 25.00 O ATOM 1394 CB TRP A 83 6.489 -6.286 12.788 1.00 25.00 C ATOM 1395 CG TRP A 83 6.191 -7.658 12.277 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.817 -8.013 11.025 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.245 -8.892 13.022 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.610 -9.357 10.924 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.861 -9.936 12.133 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.581 -9.222 14.351 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.797 -11.282 12.534 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.525 -10.578 14.760 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.131 -11.595 13.840 1.00 25.00 C ATOM 0 H TRP A 83 6.679 -4.102 13.851 1.00 25.00 H new ATOM 0 HA TRP A 83 4.567 -5.323 12.508 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.937 -5.700 11.986 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.231 -6.358 13.583 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.697 -7.318 10.207 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.315 -9.850 10.081 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.877 -8.452 15.048 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.495 -12.052 11.840 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.782 -10.843 15.775 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.093 -12.623 14.167 1.00 25.00 H new ATOM 1414 N ASN A 84 5.021 -6.402 15.577 1.00 25.00 N ATOM 1415 CA ASN A 84 4.436 -7.205 16.655 1.00 25.00 C ATOM 1416 C ASN A 84 3.046 -6.692 17.020 1.00 25.00 C ATOM 1417 O ASN A 84 2.154 -7.471 17.351 1.00 25.00 O ATOM 1418 CB ASN A 84 5.330 -7.175 17.901 1.00 25.00 C ATOM 1419 CG ASN A 84 6.254 -8.369 17.985 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.837 -9.466 18.336 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.499 -8.171 17.672 1.00 25.00 N ATOM 0 H ASN A 84 5.822 -5.839 15.864 1.00 25.00 H new ATOM 0 HA ASN A 84 4.355 -8.231 16.296 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.924 -6.261 17.895 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.703 -7.142 18.792 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.164 -8.943 17.714 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.811 -7.244 17.384 1.00 25.00 H new ATOM 1428 N LEU A 85 2.863 -5.382 16.928 1.00 25.00 N ATOM 1429 CA LEU A 85 1.578 -4.750 17.226 1.00 25.00 C ATOM 1430 C LEU A 85 0.533 -5.237 16.222 1.00 25.00 C ATOM 1431 O LEU A 85 -0.564 -5.634 16.598 1.00 25.00 O ATOM 1432 CB LEU A 85 1.743 -3.217 17.170 1.00 25.00 C ATOM 1433 CG LEU A 85 0.630 -2.298 17.700 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.206 -0.883 17.851 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.598 -2.236 16.791 1.00 25.00 C ATOM 0 H LEU A 85 3.594 -4.728 16.647 1.00 25.00 H new ATOM 0 HA LEU A 85 1.241 -5.021 18.227 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.653 -2.970 17.717 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.914 -2.949 16.128 1.00 25.00 H new ATOM 0 HG LEU A 85 0.295 -2.711 18.652 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.432 -0.213 18.226 1.00 25.00 H new ATOM 0 HD12 LEU A 85 2.040 -0.903 18.552 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.555 -0.527 16.882 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.341 -1.569 17.228 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.306 -1.861 15.810 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.023 -3.234 16.686 1.00 25.00 H new ATOM 1447 N ILE A 86 0.886 -5.251 14.945 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.042 -5.738 13.924 1.00 25.00 C ATOM 1449 C ILE A 86 -0.177 -7.261 14.040 1.00 25.00 C ATOM 1450 O ILE A 86 -1.248 -7.809 13.806 1.00 25.00 O ATOM 1451 CB ILE A 86 0.392 -5.342 12.469 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.256 -3.821 12.236 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.518 -6.028 11.439 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.469 -2.996 12.615 1.00 25.00 C ATOM 0 H ILE A 86 1.790 -4.938 14.591 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.005 -5.260 14.104 1.00 25.00 H new ATOM 0 HB ILE A 86 1.431 -5.652 12.354 1.00 25.00 H new ATOM 0 HG12 ILE A 86 0.036 -3.650 11.182 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.601 -3.459 12.804 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.207 -5.745 10.433 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.444 -7.110 11.551 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.550 -5.716 11.601 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.271 -1.943 12.413 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.682 -3.128 13.676 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.328 -3.322 12.029 1.00 25.00 H new ATOM 1466 N LYS A 87 0.880 -7.949 14.449 1.00 25.00 N ATOM 1467 CA LYS A 87 0.815 -9.406 14.590 1.00 25.00 C ATOM 1468 C LYS A 87 -0.296 -9.801 15.550 1.00 25.00 C ATOM 1469 O LYS A 87 -1.077 -10.684 15.234 1.00 25.00 O ATOM 1470 CB LYS A 87 2.182 -9.988 15.013 1.00 25.00 C ATOM 1471 CG LYS A 87 2.182 -10.882 16.259 1.00 25.00 C ATOM 1472 CD LYS A 87 3.581 -11.321 16.602 1.00 25.00 C ATOM 1473 CE LYS A 87 3.604 -12.025 17.951 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.016 -12.224 18.422 1.00 25.00 N ATOM 0 H LYS A 87 1.781 -7.535 14.687 1.00 25.00 H new ATOM 0 HA LYS A 87 0.576 -9.836 13.617 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.582 -10.564 14.178 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.868 -9.159 15.186 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.749 -10.341 17.100 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.554 -11.756 16.085 1.00 25.00 H new ATOM 0 HD2 LYS A 87 3.958 -11.991 15.829 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.244 -10.456 16.625 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.051 -11.437 18.683 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.102 -12.989 17.872 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.009 -12.660 19.366 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.519 -12.846 17.758 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.499 -11.304 18.469 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.419 -9.136 16.689 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.462 -9.522 17.629 1.00 25.00 C ATOM 1490 C GLU A 88 -2.836 -9.097 17.119 1.00 25.00 C ATOM 1491 O GLU A 88 -3.830 -9.715 17.456 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.199 -8.986 19.043 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.352 -7.491 19.220 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.510 -7.114 20.677 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -2.655 -7.179 21.190 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.530 -6.666 21.297 1.00 25.00 O ATOM 0 H GLU A 88 0.167 -8.353 16.979 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.446 -10.610 17.700 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.879 -9.486 19.733 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.187 -9.266 19.335 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.481 -6.984 18.805 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.220 -7.145 18.658 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.891 -8.080 16.268 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.161 -7.653 15.685 1.00 25.00 C ATOM 1505 C LEU A 89 -4.687 -8.703 14.710 1.00 25.00 C ATOM 1506 O LEU A 89 -5.882 -8.970 14.676 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.021 -6.296 14.982 1.00 25.00 C ATOM 1508 CG LEU A 89 -3.946 -5.069 15.910 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.596 -3.821 15.095 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.273 -4.832 16.650 1.00 25.00 C ATOM 0 H LEU A 89 -2.081 -7.539 15.967 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.878 -7.541 16.498 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.123 -6.318 14.365 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.868 -6.168 14.308 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.171 -5.265 16.651 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.545 -2.957 15.757 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.631 -3.963 14.608 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.363 -3.653 14.339 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.179 -3.958 17.294 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.069 -4.664 15.925 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.513 -5.706 17.256 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.802 -9.320 13.938 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.228 -10.352 12.989 1.00 25.00 C ATOM 1524 C ILE A 90 -4.484 -11.677 13.726 1.00 25.00 C ATOM 1525 O ILE A 90 -5.445 -12.387 13.418 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.182 -10.605 11.855 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.802 -9.300 11.126 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.774 -11.574 10.810 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.559 -9.448 10.204 1.00 25.00 C ATOM 0 H ILE A 90 -2.800 -9.132 13.945 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.143 -9.984 12.526 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.292 -11.025 12.324 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.650 -8.966 10.529 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.607 -8.523 11.865 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.043 -11.749 10.021 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.022 -12.520 11.291 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.676 -11.138 10.380 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.347 -8.493 9.723 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.698 -9.753 10.800 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.758 -10.202 9.443 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.644 -12.006 14.704 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.814 -13.250 15.479 1.00 25.00 C ATOM 1543 C ASP A 91 -5.173 -13.220 16.172 1.00 25.00 C ATOM 1544 O ASP A 91 -5.909 -14.196 16.184 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.719 -13.383 16.561 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.809 -14.596 16.352 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.283 -15.634 15.851 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.595 -14.499 16.679 1.00 25.00 O ATOM 0 H ASP A 91 -2.843 -11.440 14.983 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.741 -14.095 14.794 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -2.112 -12.478 16.567 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -3.192 -13.456 17.540 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.508 -12.063 16.726 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.744 -11.880 17.489 1.00 25.00 C ATOM 1555 C LYS A 92 -7.827 -11.188 16.675 1.00 25.00 C ATOM 1556 O LYS A 92 -8.614 -10.413 17.220 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.440 -11.079 18.724 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.427 -11.782 19.589 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.408 -11.169 20.927 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.762 -9.775 20.876 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.486 -9.180 22.222 1.00 25.00 N ATOM 0 H LYS A 92 -4.934 -11.222 16.662 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.126 -12.865 17.757 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.062 -10.097 18.441 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.357 -10.916 19.291 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.673 -12.841 19.667 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.438 -11.717 19.134 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.425 -11.090 21.311 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -4.855 -11.807 21.617 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -3.826 -9.840 20.320 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.416 -9.103 20.321 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -3.821 -8.387 22.121 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -5.375 -8.836 22.638 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.071 -9.904 22.843 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.867 -11.449 15.373 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.855 -10.807 14.487 1.00 25.00 C ATOM 1577 C LYS A 93 -10.283 -11.127 14.934 1.00 25.00 C ATOM 1578 O LYS A 93 -11.196 -10.342 14.732 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.639 -11.237 13.020 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.880 -12.740 12.744 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.710 -13.112 11.259 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.246 -13.260 10.822 1.00 25.00 C ATOM 1583 NZ LYS A 93 -6.565 -14.427 11.494 1.00 25.00 N ATOM 0 H LYS A 93 -7.234 -12.095 14.901 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.711 -9.729 14.554 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.304 -10.654 12.383 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.619 -10.987 12.729 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.186 -13.330 13.343 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.886 -13.007 13.067 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -9.234 -14.048 11.066 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -9.187 -12.348 10.646 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.203 -13.390 9.741 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.705 -12.343 11.055 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -5.914 -14.882 10.823 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -6.031 -14.089 12.320 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -7.281 -15.116 11.803 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.436 -12.266 15.591 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.723 -12.736 16.105 1.00 25.00 C ATOM 1599 C GLU A 94 -12.360 -11.801 17.139 1.00 25.00 C ATOM 1600 O GLU A 94 -13.575 -11.673 17.191 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.516 -14.117 16.744 1.00 25.00 C ATOM 1602 CG GLU A 94 -10.212 -14.229 17.558 1.00 25.00 C ATOM 1603 CD GLU A 94 -10.113 -15.528 18.331 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -10.294 -16.603 17.725 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -9.813 -15.467 19.542 1.00 25.00 O ATOM 0 H GLU A 94 -9.663 -12.902 15.787 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.408 -12.773 15.258 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -12.362 -14.337 17.395 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -11.512 -14.874 15.960 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.360 -14.147 16.883 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.150 -13.392 18.253 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.542 -11.143 17.951 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.045 -10.268 19.017 1.00 25.00 C ATOM 1614 C VAL A 95 -11.705 -8.813 18.716 1.00 25.00 C ATOM 1615 O VAL A 95 -11.885 -7.927 19.545 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.488 -10.690 20.412 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.988 -12.098 20.780 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.951 -10.671 20.432 1.00 25.00 C ATOM 0 H VAL A 95 -10.525 -11.195 17.896 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.130 -10.372 19.052 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.851 -9.969 21.144 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.593 -12.381 21.755 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.077 -12.099 20.816 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.649 -12.812 20.030 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.596 -10.970 21.418 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.569 -11.365 19.683 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.597 -9.665 20.209 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.240 -8.571 17.500 1.00 25.00 N ATOM 1629 CA ASN A 96 -10.941 -7.217 17.036 1.00 25.00 C ATOM 1630 C ASN A 96 -11.717 -6.966 15.738 1.00 25.00 C ATOM 1631 O ASN A 96 -11.150 -7.009 14.644 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.436 -7.049 16.800 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.673 -6.811 18.070 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -8.561 -5.684 18.536 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.117 -7.850 18.618 1.00 25.00 N ATOM 0 H ASN A 96 -11.059 -9.299 16.809 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.242 -6.493 17.794 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.048 -7.942 16.310 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.270 -6.214 16.120 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.563 -7.743 19.468 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.235 -8.772 18.198 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.029 -6.685 15.835 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.778 -6.528 14.582 1.00 25.00 C ATOM 1644 C PRO A 97 -13.432 -5.264 13.794 1.00 25.00 C ATOM 1645 O PRO A 97 -13.654 -5.198 12.583 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.233 -6.502 15.059 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.157 -5.926 16.428 1.00 25.00 C ATOM 1648 CD PRO A 97 -13.910 -6.540 17.011 1.00 25.00 C ATOM 0 HA PRO A 97 -13.546 -7.327 13.878 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -15.856 -5.893 14.404 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.666 -7.502 15.071 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.092 -4.838 16.401 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.039 -6.178 17.017 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.464 -5.901 17.773 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.116 -7.501 17.482 1.00 25.00 H new ATOM 1656 N GLN A 98 -12.856 -4.274 14.461 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.488 -3.026 13.803 1.00 25.00 C ATOM 1658 C GLN A 98 -11.331 -3.298 12.847 1.00 25.00 C ATOM 1659 O GLN A 98 -11.290 -2.762 11.739 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.160 -1.908 14.834 1.00 25.00 C ATOM 1661 CG GLN A 98 -10.722 -1.847 15.443 1.00 25.00 C ATOM 1662 CD GLN A 98 -10.412 -2.953 16.449 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -10.774 -4.094 16.255 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -9.719 -2.619 17.501 1.00 25.00 N ATOM 0 H GLN A 98 -12.633 -4.309 15.456 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.335 -2.653 13.227 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.357 -0.949 14.355 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -12.865 -2.003 15.660 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -9.995 -1.897 14.632 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -10.589 -0.882 15.931 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -9.430 -1.650 17.635 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -9.466 -3.327 18.191 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.408 -4.158 13.260 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.279 -4.509 12.411 1.00 25.00 C ATOM 1675 C VAL A 99 -9.653 -5.630 11.447 1.00 25.00 C ATOM 1676 O VAL A 99 -9.124 -5.687 10.358 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.000 -4.847 13.241 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.921 -6.331 13.601 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -6.753 -4.427 12.466 1.00 25.00 C ATOM 0 H VAL A 99 -10.419 -4.621 14.169 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.030 -3.631 11.815 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.057 -4.290 14.176 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.015 -6.518 14.178 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.792 -6.608 14.194 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -7.899 -6.926 12.688 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -5.864 -4.665 13.050 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -6.717 -4.961 11.517 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -6.786 -3.354 12.277 1.00 25.00 H new ATOM 1689 N MET A 100 -10.589 -6.494 11.821 1.00 25.00 N ATOM 1690 CA MET A 100 -11.004 -7.602 10.951 1.00 25.00 C ATOM 1691 C MET A 100 -11.565 -7.068 9.637 1.00 25.00 C ATOM 1692 O MET A 100 -11.245 -7.564 8.560 1.00 25.00 O ATOM 1693 CB MET A 100 -12.046 -8.469 11.667 1.00 25.00 C ATOM 1694 CG MET A 100 -12.649 -9.579 10.813 1.00 25.00 C ATOM 1695 SD MET A 100 -11.407 -10.624 10.032 1.00 25.00 S ATOM 1696 CE MET A 100 -12.066 -10.707 8.342 1.00 25.00 C ATOM 0 H MET A 100 -11.077 -6.454 12.716 1.00 25.00 H new ATOM 0 HA MET A 100 -10.132 -8.216 10.725 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.583 -8.917 12.546 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.851 -7.826 12.023 1.00 25.00 H new ATOM 0 HG2 MET A 100 -13.296 -10.197 11.435 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.278 -9.135 10.042 1.00 25.00 H new ATOM 0 HE1 MET A 100 -11.802 -11.666 7.895 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.151 -10.606 8.369 1.00 25.00 H new ATOM 0 HE3 MET A 100 -11.641 -9.900 7.746 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.342 -6.001 9.703 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.865 -5.401 8.485 1.00 25.00 C ATOM 1708 C ALA A 101 -11.723 -4.848 7.609 1.00 25.00 C ATOM 1709 O ALA A 101 -11.839 -4.791 6.391 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.857 -4.294 8.840 1.00 25.00 C ATOM 0 H ALA A 101 -12.621 -5.538 10.568 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.382 -6.170 7.910 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.246 -3.847 7.925 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.680 -4.715 9.417 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.353 -3.529 9.431 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.618 -4.460 8.231 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.468 -3.933 7.506 1.00 25.00 C ATOM 1718 C ALA A 102 -8.624 -5.084 6.920 1.00 25.00 C ATOM 1719 O ALA A 102 -8.036 -4.938 5.859 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.626 -3.048 8.441 1.00 25.00 C ATOM 0 H ALA A 102 -10.493 -4.501 9.242 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.819 -3.322 6.674 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.768 -2.656 7.896 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.235 -2.220 8.804 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.278 -3.640 9.287 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.614 -6.234 7.585 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.929 -7.440 7.082 1.00 25.00 C ATOM 1728 C VAL A 103 -8.561 -7.804 5.746 1.00 25.00 C ATOM 1729 O VAL A 103 -7.866 -7.986 4.744 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.102 -8.640 8.094 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.629 -9.970 7.512 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.341 -8.360 9.397 1.00 25.00 C ATOM 0 H VAL A 103 -9.076 -6.366 8.485 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.863 -7.244 6.970 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.170 -8.723 8.296 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.770 -10.761 8.249 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.206 -10.201 6.617 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.572 -9.899 7.254 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.472 -9.198 10.082 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.281 -8.232 9.179 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.729 -7.451 9.857 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.887 -7.850 5.725 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.618 -8.180 4.507 1.00 25.00 C ATOM 1744 C ALA A 104 -10.373 -7.123 3.428 1.00 25.00 C ATOM 1745 O ALA A 104 -10.111 -7.447 2.275 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.112 -8.297 4.819 1.00 25.00 C ATOM 0 H ALA A 104 -10.478 -7.664 6.535 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.260 -9.137 4.127 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.656 -8.544 3.907 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.269 -9.082 5.559 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.477 -7.349 5.214 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.424 -5.856 3.811 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.205 -4.776 2.857 1.00 25.00 C ATOM 1754 C GLN A 105 -8.814 -4.793 2.252 1.00 25.00 C ATOM 1755 O GLN A 105 -8.655 -4.485 1.082 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.406 -3.425 3.520 1.00 25.00 C ATOM 1757 CG GLN A 105 -11.841 -3.000 3.583 1.00 25.00 C ATOM 1758 CD GLN A 105 -11.960 -1.561 3.973 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.573 -0.684 3.220 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -12.476 -1.302 5.144 1.00 25.00 N ATOM 0 H GLN A 105 -10.613 -5.551 4.766 1.00 25.00 H new ATOM 0 HA GLN A 105 -10.934 -4.934 2.062 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.001 -3.461 4.531 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -9.836 -2.673 2.975 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.313 -3.157 2.613 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.376 -3.620 4.302 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -12.788 -2.066 5.744 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -12.567 -0.336 5.459 1.00 25.00 H new ATOM 1769 N THR A 106 -7.803 -5.138 3.033 1.00 25.00 N ATOM 1770 CA THR A 106 -6.441 -5.161 2.511 1.00 25.00 C ATOM 1771 C THR A 106 -6.369 -6.195 1.393 1.00 25.00 C ATOM 1772 O THR A 106 -5.793 -5.932 0.345 1.00 25.00 O ATOM 1773 CB THR A 106 -5.401 -5.488 3.602 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.574 -4.609 4.712 1.00 25.00 O ATOM 1775 CG2 THR A 106 -3.982 -5.294 3.094 1.00 25.00 C ATOM 0 H THR A 106 -7.893 -5.402 4.014 1.00 25.00 H new ATOM 0 HA THR A 106 -6.200 -4.167 2.134 1.00 25.00 H new ATOM 0 HB THR A 106 -5.551 -6.529 3.889 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.456 -4.757 5.112 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.275 -5.533 3.889 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.807 -5.952 2.243 1.00 25.00 H new ATOM 0 HG23 THR A 106 -3.844 -4.258 2.786 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.015 -7.341 1.575 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.058 -8.342 0.509 1.00 25.00 C ATOM 1785 C GLU A 107 -7.790 -7.815 -0.721 1.00 25.00 C ATOM 1786 O GLU A 107 -7.334 -8.015 -1.835 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.748 -9.625 0.965 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.951 -10.421 1.966 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.459 -11.847 2.132 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.371 -12.272 1.381 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.891 -12.570 2.978 1.00 25.00 O ATOM 0 H GLU A 107 -7.507 -7.600 2.430 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.021 -8.560 0.255 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.714 -9.371 1.402 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.947 -10.249 0.094 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.907 -10.447 1.653 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.982 -9.916 2.931 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.913 -7.136 -0.532 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.680 -6.602 -1.667 1.00 25.00 C ATOM 1800 C GLU A 108 -8.838 -5.610 -2.469 1.00 25.00 C ATOM 1801 O GLU A 108 -8.835 -5.621 -3.701 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.939 -5.872 -1.180 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.999 -6.761 -0.549 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.172 -5.938 -0.031 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.839 -5.273 -0.853 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.388 -5.882 1.198 1.00 25.00 O ATOM 0 H GLU A 108 -9.316 -6.939 0.384 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.960 -7.448 -2.294 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.643 -5.115 -0.454 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.384 -5.346 -2.025 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.355 -7.484 -1.283 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.560 -7.329 0.271 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.128 -4.748 -1.756 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.302 -3.715 -2.374 1.00 25.00 C ATOM 1815 C ILE A 109 -6.139 -4.371 -3.123 1.00 25.00 C ATOM 1816 O ILE A 109 -5.854 -4.013 -4.268 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.807 -2.704 -1.279 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.018 -1.904 -0.742 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.741 -1.728 -1.833 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.775 -1.170 0.588 1.00 25.00 C ATOM 0 H ILE A 109 -8.106 -4.743 -0.736 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.887 -3.149 -3.099 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.343 -3.276 -0.475 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.314 -1.173 -1.494 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.858 -2.587 -0.614 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.426 -1.046 -1.043 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.880 -2.294 -2.189 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.165 -1.156 -2.658 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.681 -0.639 0.881 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.512 -1.893 1.360 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -6.960 -0.457 0.466 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.502 -5.363 -2.518 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.387 -6.055 -3.167 1.00 25.00 C ATOM 1834 C LEU A 110 -4.840 -6.822 -4.407 1.00 25.00 C ATOM 1835 O LEU A 110 -4.181 -6.780 -5.439 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.723 -7.019 -2.177 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.565 -6.466 -1.322 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.739 -5.007 -0.865 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.389 -7.365 -0.094 1.00 25.00 C ATOM 0 H LEU A 110 -5.732 -5.708 -1.586 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.669 -5.299 -3.485 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.493 -7.392 -1.502 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.349 -7.875 -2.739 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.683 -6.469 -1.963 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.876 -4.707 -0.270 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.821 -4.360 -1.738 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.643 -4.920 -0.262 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.573 -6.986 0.521 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.310 -7.369 0.489 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.159 -8.380 -0.416 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.984 -7.488 -4.323 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.512 -8.269 -5.452 1.00 25.00 C ATOM 1853 C LYS A 111 -6.965 -7.381 -6.608 1.00 25.00 C ATOM 1854 O LYS A 111 -7.043 -7.826 -7.750 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.654 -9.147 -4.974 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.153 -10.276 -4.086 1.00 25.00 C ATOM 1857 CD LYS A 111 -8.294 -10.913 -3.371 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.784 -11.850 -2.283 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.869 -12.385 -1.393 1.00 25.00 N ATOM 0 H LYS A 111 -6.570 -7.508 -3.488 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.704 -8.894 -5.833 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.374 -8.542 -4.424 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.179 -9.564 -5.834 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.632 -11.019 -4.689 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.433 -9.889 -3.365 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.929 -10.145 -2.930 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.910 -11.468 -4.078 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.263 -12.686 -2.750 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.053 -11.320 -1.672 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.578 -12.294 -0.399 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.744 -11.845 -1.549 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -9.037 -13.387 -1.615 1.00 25.00 H new