USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 818 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 27 SER OG : rot 105:sc= 0.91 USER MOD Set 1.2: A 40 LYS NZ :NH3+ -115:sc= 0.927 (180deg=-1.28) USER MOD Single : A 6 THR OG1 : rot 102:sc= 0.881 USER MOD Single : A 8 TYR OH : rot 30:sc=-0.00902 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.43) USER MOD Single : A 29 CYS SG : rot 33:sc= -0.272 USER MOD Single : A 31 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-4!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 2:sc= -0.389! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -119:sc= -2.25! (180deg=-5.84!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 178:sc= 0.145 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.52 K(o=-1.5,f=0.057) USER MOD Single : A 78 MET CE :methyl -142:sc= -1.07 (180deg=-1.56) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000734) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 91 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.14) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.857 K(o=-0.86,f=-1.9) USER MOD Single : A 96 THR OG1 : rot -86:sc= 1.15 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -4 SER OG : rot 180:sc= 0 USER MOD Single : B -7 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 5.521 -10.128 -7.075 1.00 54.23 N ATOM 43 CA LEU A 2 6.767 -9.895 -7.796 1.00 42.14 C ATOM 44 C LEU A 2 7.769 -11.013 -7.528 1.00 32.52 C ATOM 45 O LEU A 2 7.886 -11.499 -6.403 1.00 32.34 O ATOM 46 CB LEU A 2 7.369 -8.548 -7.392 1.00 41.14 C ATOM 47 CG LEU A 2 8.334 -8.573 -6.207 1.00 4.33 C ATOM 48 CD1 LEU A 2 9.762 -8.783 -6.685 1.00 64.53 C ATOM 49 CD2 LEU A 2 8.224 -7.286 -5.402 1.00 40.32 C ATOM 0 HA LEU A 2 6.543 -9.881 -8.863 1.00 42.14 H new ATOM 0 HB2 LEU A 2 7.893 -8.134 -8.253 1.00 41.14 H new ATOM 0 HB3 LEU A 2 6.554 -7.864 -7.156 1.00 41.14 H new ATOM 0 HG LEU A 2 8.062 -9.407 -5.560 1.00 4.33 H new ATOM 0 HD11 LEU A 2 10.434 -8.798 -5.827 1.00 64.53 H new ATOM 0 HD12 LEU A 2 9.832 -9.732 -7.217 1.00 64.53 H new ATOM 0 HD13 LEU A 2 10.045 -7.970 -7.354 1.00 64.53 H new ATOM 0 HD21 LEU A 2 8.918 -7.322 -4.562 1.00 40.32 H new ATOM 0 HD22 LEU A 2 8.469 -6.436 -6.039 1.00 40.32 H new ATOM 0 HD23 LEU A 2 7.206 -7.177 -5.027 1.00 40.32 H new ATOM 61 N PHE A 3 8.491 -11.416 -8.568 1.00 61.30 N ATOM 62 CA PHE A 3 9.484 -12.477 -8.444 1.00 43.14 C ATOM 63 C PHE A 3 10.883 -11.951 -8.754 1.00 72.25 C ATOM 64 O PHE A 3 11.070 -11.162 -9.680 1.00 72.43 O ATOM 65 CB PHE A 3 9.143 -13.636 -9.383 1.00 62.10 C ATOM 66 CG PHE A 3 7.768 -14.199 -9.165 1.00 31.10 C ATOM 67 CD1 PHE A 3 7.168 -14.134 -7.918 1.00 10.23 C ATOM 68 CD2 PHE A 3 7.075 -14.793 -10.207 1.00 72.23 C ATOM 69 CE1 PHE A 3 5.903 -14.652 -7.714 1.00 51.03 C ATOM 70 CE2 PHE A 3 5.809 -15.313 -10.010 1.00 42.30 C ATOM 71 CZ PHE A 3 5.222 -15.241 -8.762 1.00 2.00 C ATOM 0 H PHE A 3 8.407 -11.024 -9.506 1.00 61.30 H new ATOM 0 HA PHE A 3 9.469 -12.836 -7.415 1.00 43.14 H new ATOM 0 HB2 PHE A 3 9.228 -13.294 -10.415 1.00 62.10 H new ATOM 0 HB3 PHE A 3 9.878 -14.430 -9.249 1.00 62.10 H new ATOM 0 HD1 PHE A 3 7.695 -13.673 -7.096 1.00 10.23 H new ATOM 0 HD2 PHE A 3 7.529 -14.851 -11.185 1.00 72.23 H new ATOM 0 HE1 PHE A 3 5.447 -14.596 -6.736 1.00 51.03 H new ATOM 0 HE2 PHE A 3 5.280 -15.775 -10.831 1.00 42.30 H new ATOM 0 HZ PHE A 3 4.232 -15.644 -8.606 1.00 2.00 H new ATOM 81 N ALA A 4 11.862 -12.394 -7.972 1.00 72.14 N ATOM 82 CA ALA A 4 13.243 -11.970 -8.163 1.00 62.34 C ATOM 83 C ALA A 4 14.099 -13.113 -8.699 1.00 21.10 C ATOM 84 O ALA A 4 13.660 -14.262 -8.746 1.00 35.13 O ATOM 85 CB ALA A 4 13.819 -11.444 -6.857 1.00 64.12 C ATOM 0 H ALA A 4 11.724 -13.046 -7.200 1.00 72.14 H new ATOM 0 HA ALA A 4 13.252 -11.167 -8.900 1.00 62.34 H new ATOM 0 HB1 ALA A 4 14.851 -11.131 -7.015 1.00 64.12 H new ATOM 0 HB2 ALA A 4 13.230 -10.593 -6.516 1.00 64.12 H new ATOM 0 HB3 ALA A 4 13.790 -12.231 -6.103 1.00 64.12 H new ATOM 91 N VAL A 5 15.324 -12.790 -9.103 1.00 74.31 N ATOM 92 CA VAL A 5 16.241 -13.790 -9.635 1.00 65.33 C ATOM 93 C VAL A 5 17.609 -13.691 -8.969 1.00 42.21 C ATOM 94 O VAL A 5 18.227 -12.626 -8.949 1.00 11.51 O ATOM 95 CB VAL A 5 16.413 -13.641 -11.159 1.00 14.13 C ATOM 96 CG1 VAL A 5 16.925 -12.251 -11.505 1.00 23.32 C ATOM 97 CG2 VAL A 5 17.348 -14.713 -11.697 1.00 42.20 C ATOM 0 H VAL A 5 15.704 -11.844 -9.072 1.00 74.31 H new ATOM 0 HA VAL A 5 15.804 -14.765 -9.420 1.00 65.33 H new ATOM 0 HB VAL A 5 15.440 -13.771 -11.632 1.00 14.13 H new ATOM 0 HG11 VAL A 5 17.040 -12.164 -12.585 1.00 23.32 H new ATOM 0 HG12 VAL A 5 16.213 -11.503 -11.155 1.00 23.32 H new ATOM 0 HG13 VAL A 5 17.889 -12.088 -11.023 1.00 23.32 H new ATOM 0 HG21 VAL A 5 17.458 -14.592 -12.775 1.00 42.20 H new ATOM 0 HG22 VAL A 5 18.323 -14.618 -11.220 1.00 42.20 H new ATOM 0 HG23 VAL A 5 16.934 -15.698 -11.482 1.00 42.20 H new ATOM 107 N THR A 6 18.079 -14.809 -8.424 1.00 13.30 N ATOM 108 CA THR A 6 19.373 -14.848 -7.756 1.00 24.11 C ATOM 109 C THR A 6 20.514 -14.753 -8.762 1.00 65.33 C ATOM 110 O THR A 6 20.496 -15.415 -9.801 1.00 43.32 O ATOM 111 CB THR A 6 19.540 -16.137 -6.928 1.00 54.44 C ATOM 112 OG1 THR A 6 18.486 -17.056 -7.236 1.00 53.12 O ATOM 113 CG2 THR A 6 19.531 -15.828 -5.439 1.00 3.12 C ATOM 0 H THR A 6 17.582 -15.700 -8.433 1.00 13.30 H new ATOM 0 HA THR A 6 19.409 -13.988 -7.087 1.00 24.11 H new ATOM 0 HB THR A 6 20.500 -16.586 -7.184 1.00 54.44 H new ATOM 0 HG1 THR A 6 18.823 -17.750 -7.840 1.00 53.12 H new ATOM 0 HG21 THR A 6 19.650 -16.753 -4.875 1.00 3.12 H new ATOM 0 HG22 THR A 6 20.352 -15.151 -5.203 1.00 3.12 H new ATOM 0 HG23 THR A 6 18.585 -15.359 -5.171 1.00 3.12 H new ATOM 121 N LEU A 7 21.507 -13.928 -8.448 1.00 52.22 N ATOM 122 CA LEU A 7 22.658 -13.747 -9.326 1.00 2.04 C ATOM 123 C LEU A 7 23.887 -14.456 -8.765 1.00 33.30 C ATOM 124 O LEU A 7 24.864 -14.684 -9.478 1.00 61.03 O ATOM 125 CB LEU A 7 22.955 -12.258 -9.510 1.00 11.32 C ATOM 126 CG LEU A 7 21.779 -11.390 -9.959 1.00 41.43 C ATOM 127 CD1 LEU A 7 22.153 -9.916 -9.908 1.00 61.44 C ATOM 128 CD2 LEU A 7 21.333 -11.780 -11.361 1.00 32.34 C ATOM 0 H LEU A 7 21.538 -13.374 -7.592 1.00 52.22 H new ATOM 0 HA LEU A 7 22.418 -14.186 -10.294 1.00 2.04 H new ATOM 0 HB2 LEU A 7 23.332 -11.864 -8.566 1.00 11.32 H new ATOM 0 HB3 LEU A 7 23.757 -12.155 -10.241 1.00 11.32 H new ATOM 0 HG LEU A 7 20.947 -11.557 -9.275 1.00 41.43 H new ATOM 0 HD11 LEU A 7 21.304 -9.314 -10.231 1.00 61.44 H new ATOM 0 HD12 LEU A 7 22.423 -9.644 -8.888 1.00 61.44 H new ATOM 0 HD13 LEU A 7 23.000 -9.732 -10.569 1.00 61.44 H new ATOM 0 HD21 LEU A 7 20.495 -11.152 -11.664 1.00 32.34 H new ATOM 0 HD22 LEU A 7 22.160 -11.643 -12.057 1.00 32.34 H new ATOM 0 HD23 LEU A 7 21.024 -12.825 -11.367 1.00 32.34 H new ATOM 140 N TYR A 8 23.829 -14.805 -7.485 1.00 0.15 N ATOM 141 CA TYR A 8 24.937 -15.489 -6.828 1.00 11.41 C ATOM 142 C TYR A 8 24.427 -16.601 -5.917 1.00 63.40 C ATOM 143 O TYR A 8 23.273 -16.590 -5.492 1.00 13.20 O ATOM 144 CB TYR A 8 25.770 -14.493 -6.019 1.00 21.33 C ATOM 145 CG TYR A 8 26.320 -13.352 -6.844 1.00 62.21 C ATOM 146 CD1 TYR A 8 25.506 -12.297 -7.236 1.00 43.31 C ATOM 147 CD2 TYR A 8 27.655 -13.329 -7.231 1.00 74.20 C ATOM 148 CE1 TYR A 8 26.005 -11.253 -7.991 1.00 14.51 C ATOM 149 CE2 TYR A 8 28.162 -12.288 -7.985 1.00 31.34 C ATOM 150 CZ TYR A 8 27.333 -11.253 -8.362 1.00 50.34 C ATOM 151 OH TYR A 8 27.834 -10.214 -9.113 1.00 55.30 O ATOM 0 H TYR A 8 23.027 -14.626 -6.881 1.00 0.15 H new ATOM 0 HA TYR A 8 25.564 -15.935 -7.599 1.00 11.41 H new ATOM 0 HB2 TYR A 8 25.155 -14.086 -5.216 1.00 21.33 H new ATOM 0 HB3 TYR A 8 26.599 -15.023 -5.549 1.00 21.33 H new ATOM 0 HD1 TYR A 8 24.466 -12.293 -6.946 1.00 43.31 H new ATOM 0 HD2 TYR A 8 28.307 -14.138 -6.937 1.00 74.20 H new ATOM 0 HE1 TYR A 8 25.358 -10.441 -8.289 1.00 14.51 H new ATOM 0 HE2 TYR A 8 29.202 -12.285 -8.277 1.00 31.34 H new ATOM 0 HH TYR A 8 27.339 -9.393 -8.907 1.00 55.30 H new ATOM 161 N GLU A 9 25.299 -17.561 -5.622 1.00 34.13 N ATOM 162 CA GLU A 9 24.937 -18.682 -4.761 1.00 42.45 C ATOM 163 C GLU A 9 25.096 -18.311 -3.290 1.00 15.23 C ATOM 164 O GLU A 9 26.210 -18.240 -2.772 1.00 44.22 O ATOM 165 CB GLU A 9 25.801 -19.902 -5.087 1.00 34.31 C ATOM 166 CG GLU A 9 25.596 -21.065 -4.130 1.00 51.03 C ATOM 167 CD GLU A 9 25.163 -22.334 -4.839 1.00 12.14 C ATOM 168 OE1 GLU A 9 25.700 -22.616 -5.930 1.00 52.14 O ATOM 169 OE2 GLU A 9 24.287 -23.044 -4.302 1.00 24.30 O ATOM 0 H GLU A 9 26.259 -17.585 -5.966 1.00 34.13 H new ATOM 0 HA GLU A 9 23.891 -18.926 -4.945 1.00 42.45 H new ATOM 0 HB2 GLU A 9 25.579 -20.233 -6.101 1.00 34.31 H new ATOM 0 HB3 GLU A 9 26.851 -19.609 -5.070 1.00 34.31 H new ATOM 0 HG2 GLU A 9 26.523 -21.254 -3.589 1.00 51.03 H new ATOM 0 HG3 GLU A 9 24.845 -20.793 -3.389 1.00 51.03 H new ATOM 176 N PHE A 10 23.972 -18.075 -2.621 1.00 13.40 N ATOM 177 CA PHE A 10 23.984 -17.709 -1.209 1.00 64.43 C ATOM 178 C PHE A 10 23.735 -18.931 -0.329 1.00 44.22 C ATOM 179 O PHE A 10 22.723 -19.617 -0.471 1.00 62.23 O ATOM 180 CB PHE A 10 22.927 -16.640 -0.928 1.00 0.22 C ATOM 181 CG PHE A 10 22.958 -16.122 0.482 1.00 64.22 C ATOM 182 CD1 PHE A 10 23.853 -15.130 0.850 1.00 70.31 C ATOM 183 CD2 PHE A 10 22.094 -16.628 1.439 1.00 74.10 C ATOM 184 CE1 PHE A 10 23.884 -14.651 2.146 1.00 22.42 C ATOM 185 CE2 PHE A 10 22.120 -16.153 2.737 1.00 50.15 C ATOM 186 CZ PHE A 10 23.017 -15.164 3.091 1.00 61.31 C ATOM 0 H PHE A 10 23.041 -18.131 -3.034 1.00 13.40 H new ATOM 0 HA PHE A 10 24.969 -17.306 -0.972 1.00 64.43 H new ATOM 0 HB2 PHE A 10 23.072 -15.807 -1.616 1.00 0.22 H new ATOM 0 HB3 PHE A 10 21.940 -17.054 -1.133 1.00 0.22 H new ATOM 0 HD1 PHE A 10 24.534 -14.727 0.115 1.00 70.31 H new ATOM 0 HD2 PHE A 10 21.392 -17.403 1.168 1.00 74.10 H new ATOM 0 HE1 PHE A 10 24.585 -13.877 2.420 1.00 22.42 H new ATOM 0 HE2 PHE A 10 21.440 -16.555 3.473 1.00 50.15 H new ATOM 0 HZ PHE A 10 23.040 -14.793 4.105 1.00 61.31 H new ATOM 196 N LYS A 11 24.667 -19.197 0.581 1.00 54.44 N ATOM 197 CA LYS A 11 24.550 -20.334 1.485 1.00 23.04 C ATOM 198 C LYS A 11 24.017 -19.895 2.845 1.00 30.14 C ATOM 199 O LYS A 11 24.618 -19.058 3.518 1.00 65.14 O ATOM 200 CB LYS A 11 25.909 -21.018 1.655 1.00 73.10 C ATOM 201 CG LYS A 11 26.585 -21.363 0.339 1.00 15.02 C ATOM 202 CD LYS A 11 27.520 -20.255 -0.115 1.00 13.34 C ATOM 203 CE LYS A 11 28.970 -20.584 0.204 1.00 0.34 C ATOM 204 NZ LYS A 11 29.801 -19.355 0.339 1.00 71.22 N ATOM 0 H LYS A 11 25.511 -18.640 0.711 1.00 54.44 H new ATOM 0 HA LYS A 11 23.845 -21.042 1.049 1.00 23.04 H new ATOM 0 HB2 LYS A 11 26.565 -20.365 2.231 1.00 73.10 H new ATOM 0 HB3 LYS A 11 25.777 -21.931 2.236 1.00 73.10 H new ATOM 0 HG2 LYS A 11 27.146 -22.291 0.449 1.00 15.02 H new ATOM 0 HG3 LYS A 11 25.828 -21.537 -0.425 1.00 15.02 H new ATOM 0 HD2 LYS A 11 27.409 -20.100 -1.188 1.00 13.34 H new ATOM 0 HD3 LYS A 11 27.242 -19.320 0.372 1.00 13.34 H new ATOM 0 HE2 LYS A 11 29.017 -21.158 1.130 1.00 0.34 H new ATOM 0 HE3 LYS A 11 29.381 -21.216 -0.584 1.00 0.34 H new ATOM 0 HZ1 LYS A 11 30.782 -19.622 0.556 1.00 71.22 H new ATOM 0 HZ2 LYS A 11 29.777 -18.820 -0.553 1.00 71.22 H new ATOM 0 HZ3 LYS A 11 29.425 -18.764 1.108 1.00 71.22 H new ATOM 218 N ALA A 12 22.886 -20.467 3.245 1.00 54.31 N ATOM 219 CA ALA A 12 22.274 -20.137 4.526 1.00 11.31 C ATOM 220 C ALA A 12 23.182 -20.532 5.686 1.00 51.42 C ATOM 221 O ALA A 12 24.133 -21.292 5.510 1.00 71.24 O ATOM 222 CB ALA A 12 20.921 -20.820 4.656 1.00 13.14 C ATOM 0 H ALA A 12 22.375 -21.161 2.700 1.00 54.31 H new ATOM 0 HA ALA A 12 22.129 -19.057 4.564 1.00 11.31 H new ATOM 0 HB1 ALA A 12 20.475 -20.565 5.617 1.00 13.14 H new ATOM 0 HB2 ALA A 12 20.266 -20.485 3.852 1.00 13.14 H new ATOM 0 HB3 ALA A 12 21.051 -21.900 4.592 1.00 13.14 H new ATOM 228 N GLU A 13 22.882 -20.009 6.871 1.00 51.12 N ATOM 229 CA GLU A 13 23.673 -20.307 8.059 1.00 44.22 C ATOM 230 C GLU A 13 22.836 -21.045 9.099 1.00 23.51 C ATOM 231 O GLU A 13 23.359 -21.837 9.883 1.00 21.53 O ATOM 232 CB GLU A 13 24.234 -19.017 8.662 1.00 62.13 C ATOM 233 CG GLU A 13 23.202 -17.911 8.801 1.00 34.34 C ATOM 234 CD GLU A 13 23.484 -16.995 9.976 1.00 14.21 C ATOM 235 OE1 GLU A 13 23.081 -17.338 11.107 1.00 1.01 O ATOM 236 OE2 GLU A 13 24.108 -15.934 9.764 1.00 54.15 O ATOM 0 H GLU A 13 22.098 -19.377 7.034 1.00 51.12 H new ATOM 0 HA GLU A 13 24.501 -20.951 7.761 1.00 44.22 H new ATOM 0 HB2 GLU A 13 24.653 -19.237 9.644 1.00 62.13 H new ATOM 0 HB3 GLU A 13 25.054 -18.661 8.038 1.00 62.13 H new ATOM 0 HG2 GLU A 13 23.179 -17.323 7.884 1.00 34.34 H new ATOM 0 HG3 GLU A 13 22.213 -18.354 8.920 1.00 34.34 H new ATOM 243 N ARG A 14 21.534 -20.780 9.099 1.00 1.44 N ATOM 244 CA ARG A 14 20.624 -21.417 10.044 1.00 45.03 C ATOM 245 C ARG A 14 19.350 -21.879 9.343 1.00 21.43 C ATOM 246 O ARG A 14 19.222 -21.762 8.124 1.00 23.25 O ATOM 247 CB ARG A 14 20.274 -20.452 11.178 1.00 43.01 C ATOM 248 CG ARG A 14 21.476 -20.017 12.000 1.00 3.31 C ATOM 249 CD ARG A 14 21.818 -21.040 13.072 1.00 43.12 C ATOM 250 NE ARG A 14 20.893 -20.980 14.200 1.00 22.53 N ATOM 251 CZ ARG A 14 21.163 -21.485 15.399 1.00 2.22 C ATOM 252 NH1 ARG A 14 22.325 -22.082 15.624 1.00 21.44 N ATOM 253 NH2 ARG A 14 20.270 -21.391 16.376 1.00 21.41 N ATOM 0 H ARG A 14 21.085 -20.128 8.455 1.00 1.44 H new ATOM 0 HA ARG A 14 21.126 -22.290 10.462 1.00 45.03 H new ATOM 0 HB2 ARG A 14 19.794 -19.569 10.757 1.00 43.01 H new ATOM 0 HB3 ARG A 14 19.547 -20.927 11.837 1.00 43.01 H new ATOM 0 HG2 ARG A 14 22.335 -19.875 11.344 1.00 3.31 H new ATOM 0 HG3 ARG A 14 21.269 -19.054 12.467 1.00 3.31 H new ATOM 0 HD2 ARG A 14 21.797 -22.040 12.639 1.00 43.12 H new ATOM 0 HD3 ARG A 14 22.834 -20.868 13.427 1.00 43.12 H new ATOM 0 HE ARG A 14 19.991 -20.526 14.060 1.00 22.53 H new ATOM 0 HH11 ARG A 14 23.014 -22.155 14.876 1.00 21.44 H new ATOM 0 HH12 ARG A 14 22.530 -22.469 16.545 1.00 21.44 H new ATOM 0 HH21 ARG A 14 19.376 -20.931 16.207 1.00 21.41 H new ATOM 0 HH22 ARG A 14 20.478 -21.779 17.296 1.00 21.41 H new ATOM 267 N ASP A 15 18.411 -22.405 10.122 1.00 70.31 N ATOM 268 CA ASP A 15 17.146 -22.885 9.577 1.00 63.11 C ATOM 269 C ASP A 15 16.353 -21.740 8.956 1.00 14.44 C ATOM 270 O ASP A 15 15.782 -21.881 7.875 1.00 62.15 O ATOM 271 CB ASP A 15 16.319 -23.561 10.671 1.00 32.41 C ATOM 272 CG ASP A 15 16.032 -22.635 11.836 1.00 13.31 C ATOM 273 OD1 ASP A 15 16.890 -22.532 12.738 1.00 14.31 O ATOM 274 OD2 ASP A 15 14.950 -22.012 11.845 1.00 14.14 O ATOM 0 H ASP A 15 18.502 -22.510 11.133 1.00 70.31 H new ATOM 0 HA ASP A 15 17.367 -23.614 8.798 1.00 63.11 H new ATOM 0 HB2 ASP A 15 15.377 -23.909 10.247 1.00 32.41 H new ATOM 0 HB3 ASP A 15 16.851 -24.441 11.033 1.00 32.41 H new ATOM 279 N ASP A 16 16.320 -20.606 9.649 1.00 74.43 N ATOM 280 CA ASP A 16 15.596 -19.436 9.166 1.00 73.11 C ATOM 281 C ASP A 16 16.062 -19.048 7.766 1.00 4.34 C ATOM 282 O ASP A 16 15.254 -18.907 6.850 1.00 71.24 O ATOM 283 CB ASP A 16 15.786 -18.260 10.125 1.00 25.32 C ATOM 284 CG ASP A 16 17.212 -18.150 10.630 1.00 72.21 C ATOM 285 OD1 ASP A 16 17.527 -18.785 11.658 1.00 44.41 O ATOM 286 OD2 ASP A 16 18.012 -17.429 9.997 1.00 15.23 O ATOM 0 H ASP A 16 16.786 -20.473 10.546 1.00 74.43 H new ATOM 0 HA ASP A 16 14.537 -19.689 9.119 1.00 73.11 H new ATOM 0 HB2 ASP A 16 15.510 -17.334 9.620 1.00 25.32 H new ATOM 0 HB3 ASP A 16 15.111 -18.374 10.973 1.00 25.32 H new ATOM 291 N GLU A 17 17.371 -18.875 7.611 1.00 3.01 N ATOM 292 CA GLU A 17 17.944 -18.501 6.324 1.00 43.34 C ATOM 293 C GLU A 17 17.789 -19.631 5.310 1.00 51.32 C ATOM 294 O GLU A 17 17.780 -20.808 5.672 1.00 61.12 O ATOM 295 CB GLU A 17 19.424 -18.144 6.483 1.00 54.30 C ATOM 296 CG GLU A 17 19.898 -17.071 5.517 1.00 24.03 C ATOM 297 CD GLU A 17 19.779 -15.673 6.093 1.00 24.44 C ATOM 298 OE1 GLU A 17 19.121 -15.518 7.143 1.00 53.44 O ATOM 299 OE2 GLU A 17 20.346 -14.735 5.494 1.00 31.32 O ATOM 0 H GLU A 17 18.054 -18.988 8.360 1.00 3.01 H new ATOM 0 HA GLU A 17 17.405 -17.628 5.956 1.00 43.34 H new ATOM 0 HB2 GLU A 17 19.600 -17.805 7.504 1.00 54.30 H new ATOM 0 HB3 GLU A 17 20.024 -19.043 6.338 1.00 54.30 H new ATOM 0 HG2 GLU A 17 20.937 -17.262 5.249 1.00 24.03 H new ATOM 0 HG3 GLU A 17 19.315 -17.132 4.598 1.00 24.03 H new ATOM 306 N LEU A 18 17.666 -19.264 4.039 1.00 70.41 N ATOM 307 CA LEU A 18 17.510 -20.246 2.971 1.00 22.32 C ATOM 308 C LEU A 18 18.631 -20.117 1.945 1.00 51.14 C ATOM 309 O LEU A 18 19.215 -19.046 1.780 1.00 11.41 O ATOM 310 CB LEU A 18 16.153 -20.073 2.286 1.00 24.35 C ATOM 311 CG LEU A 18 15.661 -21.263 1.462 1.00 63.14 C ATOM 312 CD1 LEU A 18 14.783 -22.172 2.307 1.00 24.43 C ATOM 313 CD2 LEU A 18 14.906 -20.783 0.231 1.00 13.11 C ATOM 0 H LEU A 18 17.671 -18.294 3.723 1.00 70.41 H new ATOM 0 HA LEU A 18 17.561 -21.240 3.415 1.00 22.32 H new ATOM 0 HB2 LEU A 18 15.408 -19.853 3.051 1.00 24.35 H new ATOM 0 HB3 LEU A 18 16.206 -19.202 1.633 1.00 24.35 H new ATOM 0 HG LEU A 18 16.528 -21.835 1.132 1.00 63.14 H new ATOM 0 HD11 LEU A 18 14.443 -23.013 1.703 1.00 24.43 H new ATOM 0 HD12 LEU A 18 15.356 -22.544 3.157 1.00 24.43 H new ATOM 0 HD13 LEU A 18 13.920 -21.612 2.668 1.00 24.43 H new ATOM 0 HD21 LEU A 18 14.563 -21.643 -0.344 1.00 13.11 H new ATOM 0 HD22 LEU A 18 14.047 -20.187 0.540 1.00 13.11 H new ATOM 0 HD23 LEU A 18 15.566 -20.174 -0.386 1.00 13.11 H new ATOM 325 N ASP A 19 18.924 -21.214 1.256 1.00 44.05 N ATOM 326 CA ASP A 19 19.973 -21.223 0.242 1.00 11.30 C ATOM 327 C ASP A 19 19.391 -20.964 -1.144 1.00 72.22 C ATOM 328 O ASP A 19 18.255 -21.341 -1.432 1.00 54.21 O ATOM 329 CB ASP A 19 20.714 -22.560 0.256 1.00 23.41 C ATOM 330 CG ASP A 19 21.634 -22.725 -0.938 1.00 33.40 C ATOM 331 OD1 ASP A 19 21.145 -23.139 -2.010 1.00 31.22 O ATOM 332 OD2 ASP A 19 22.842 -22.441 -0.800 1.00 62.55 O ATOM 0 H ASP A 19 18.450 -22.109 1.381 1.00 44.05 H new ATOM 0 HA ASP A 19 20.677 -20.424 0.476 1.00 11.30 H new ATOM 0 HB2 ASP A 19 21.297 -22.639 1.174 1.00 23.41 H new ATOM 0 HB3 ASP A 19 19.989 -23.374 0.267 1.00 23.41 H new ATOM 337 N VAL A 20 20.177 -20.318 -2.000 1.00 31.24 N ATOM 338 CA VAL A 20 19.740 -20.009 -3.356 1.00 30.02 C ATOM 339 C VAL A 20 20.898 -20.106 -4.342 1.00 64.30 C ATOM 340 O VAL A 20 22.065 -20.033 -3.955 1.00 34.12 O ATOM 341 CB VAL A 20 19.126 -18.599 -3.440 1.00 34.12 C ATOM 342 CG1 VAL A 20 17.632 -18.649 -3.155 1.00 24.24 C ATOM 343 CG2 VAL A 20 19.829 -17.654 -2.478 1.00 0.32 C ATOM 0 H VAL A 20 21.120 -19.999 -1.778 1.00 31.24 H new ATOM 0 HA VAL A 20 18.980 -20.745 -3.619 1.00 30.02 H new ATOM 0 HB VAL A 20 19.266 -18.220 -4.453 1.00 34.12 H new ATOM 0 HG11 VAL A 20 17.216 -17.644 -3.219 1.00 24.24 H new ATOM 0 HG12 VAL A 20 17.143 -19.291 -3.887 1.00 24.24 H new ATOM 0 HG13 VAL A 20 17.466 -19.048 -2.154 1.00 24.24 H new ATOM 0 HG21 VAL A 20 19.382 -16.662 -2.551 1.00 0.32 H new ATOM 0 HG22 VAL A 20 19.722 -18.026 -1.459 1.00 0.32 H new ATOM 0 HG23 VAL A 20 20.887 -17.595 -2.734 1.00 0.32 H new ATOM 353 N SER A 21 20.569 -20.271 -5.619 1.00 71.31 N ATOM 354 CA SER A 21 21.582 -20.382 -6.662 1.00 22.12 C ATOM 355 C SER A 21 21.357 -19.338 -7.751 1.00 3.40 C ATOM 356 O SER A 21 20.253 -18.828 -7.939 1.00 55.05 O ATOM 357 CB SER A 21 21.564 -21.785 -7.273 1.00 4.51 C ATOM 358 OG SER A 21 20.427 -22.513 -6.844 1.00 60.14 O ATOM 0 H SER A 21 19.608 -20.331 -5.956 1.00 71.31 H new ATOM 0 HA SER A 21 22.557 -20.204 -6.208 1.00 22.12 H new ATOM 0 HB2 SER A 21 21.564 -21.712 -8.361 1.00 4.51 H new ATOM 0 HB3 SER A 21 22.470 -22.320 -6.990 1.00 4.51 H new ATOM 0 HG SER A 21 20.438 -23.405 -7.249 1.00 60.14 H new ATOM 364 N PRO A 22 22.430 -19.010 -8.486 1.00 64.22 N ATOM 365 CA PRO A 22 22.377 -18.024 -9.570 1.00 33.33 C ATOM 366 C PRO A 22 21.584 -18.527 -10.772 1.00 3.53 C ATOM 367 O PRO A 22 21.954 -19.517 -11.401 1.00 51.34 O ATOM 368 CB PRO A 22 23.848 -17.828 -9.943 1.00 50.44 C ATOM 369 CG PRO A 22 24.515 -19.096 -9.536 1.00 2.43 C ATOM 370 CD PRO A 22 23.779 -19.578 -8.317 1.00 15.23 C ATOM 0 HA PRO A 22 21.876 -17.106 -9.263 1.00 33.33 H new ATOM 0 HB2 PRO A 22 23.964 -17.645 -11.011 1.00 50.44 H new ATOM 0 HB3 PRO A 22 24.277 -16.971 -9.424 1.00 50.44 H new ATOM 0 HG2 PRO A 22 24.470 -19.835 -10.336 1.00 2.43 H new ATOM 0 HG3 PRO A 22 25.569 -18.929 -9.315 1.00 2.43 H new ATOM 0 HD2 PRO A 22 23.753 -20.667 -8.267 1.00 15.23 H new ATOM 0 HD3 PRO A 22 24.250 -19.228 -7.399 1.00 15.23 H new ATOM 378 N GLY A 23 20.492 -17.836 -11.085 1.00 71.23 N ATOM 379 CA GLY A 23 19.665 -18.228 -12.212 1.00 12.34 C ATOM 380 C GLY A 23 18.345 -18.835 -11.779 1.00 24.35 C ATOM 381 O GLY A 23 17.571 -19.309 -12.609 1.00 41.03 O ATOM 0 H GLY A 23 20.165 -17.013 -10.579 1.00 71.23 H new ATOM 0 HA2 GLY A 23 19.473 -17.357 -12.838 1.00 12.34 H new ATOM 0 HA3 GLY A 23 20.208 -18.947 -12.825 1.00 12.34 H new ATOM 385 N GLU A 24 18.090 -18.823 -10.474 1.00 32.20 N ATOM 386 CA GLU A 24 16.856 -19.380 -9.933 1.00 34.02 C ATOM 387 C GLU A 24 15.776 -18.307 -9.824 1.00 4.34 C ATOM 388 O GLU A 24 16.076 -17.125 -9.658 1.00 60.13 O ATOM 389 CB GLU A 24 17.111 -20.004 -8.559 1.00 54.02 C ATOM 390 CG GLU A 24 17.552 -21.457 -8.623 1.00 11.51 C ATOM 391 CD GLU A 24 16.512 -22.354 -9.265 1.00 64.34 C ATOM 392 OE1 GLU A 24 16.544 -22.505 -10.505 1.00 25.42 O ATOM 393 OE2 GLU A 24 15.667 -22.905 -8.530 1.00 23.42 O ATOM 0 H GLU A 24 18.721 -18.434 -9.773 1.00 32.20 H new ATOM 0 HA GLU A 24 16.507 -20.154 -10.617 1.00 34.02 H new ATOM 0 HB2 GLU A 24 17.875 -19.424 -8.042 1.00 54.02 H new ATOM 0 HB3 GLU A 24 16.201 -19.935 -7.963 1.00 54.02 H new ATOM 0 HG2 GLU A 24 18.483 -21.526 -9.186 1.00 11.51 H new ATOM 0 HG3 GLU A 24 17.762 -21.814 -7.615 1.00 11.51 H new ATOM 400 N ASN A 25 14.519 -18.728 -9.918 1.00 64.01 N ATOM 401 CA ASN A 25 13.395 -17.803 -9.831 1.00 72.52 C ATOM 402 C ASN A 25 12.765 -17.842 -8.442 1.00 71.02 C ATOM 403 O ASN A 25 12.182 -18.850 -8.040 1.00 70.15 O ATOM 404 CB ASN A 25 12.344 -18.145 -10.890 1.00 0.14 C ATOM 405 CG ASN A 25 12.936 -18.238 -12.283 1.00 32.12 C ATOM 406 OD1 ASN A 25 13.633 -19.199 -12.610 1.00 52.42 O ATOM 407 ND2 ASN A 25 12.660 -17.237 -13.111 1.00 31.32 N ATOM 0 H ASN A 25 14.253 -19.703 -10.054 1.00 64.01 H new ATOM 0 HA ASN A 25 13.770 -16.796 -10.012 1.00 72.52 H new ATOM 0 HB2 ASN A 25 11.871 -19.093 -10.635 1.00 0.14 H new ATOM 0 HB3 ASN A 25 11.562 -17.386 -10.880 1.00 0.14 H new ATOM 0 HD21 ASN A 25 13.030 -17.244 -14.061 1.00 31.32 H new ATOM 0 HD22 ASN A 25 12.078 -16.461 -12.797 1.00 31.32 H new ATOM 414 N LEU A 26 12.886 -16.738 -7.713 1.00 74.12 N ATOM 415 CA LEU A 26 12.328 -16.644 -6.369 1.00 34.44 C ATOM 416 C LEU A 26 11.174 -15.647 -6.326 1.00 21.30 C ATOM 417 O LEU A 26 10.962 -14.888 -7.271 1.00 54.02 O ATOM 418 CB LEU A 26 13.412 -16.230 -5.373 1.00 2.33 C ATOM 419 CG LEU A 26 14.438 -17.305 -5.011 1.00 52.42 C ATOM 420 CD1 LEU A 26 15.684 -17.164 -5.871 1.00 42.11 C ATOM 421 CD2 LEU A 26 14.795 -17.226 -3.534 1.00 50.41 C ATOM 0 H LEU A 26 13.366 -15.896 -8.030 1.00 74.12 H new ATOM 0 HA LEU A 26 11.945 -17.626 -6.092 1.00 34.44 H new ATOM 0 HB2 LEU A 26 13.944 -15.371 -5.782 1.00 2.33 H new ATOM 0 HB3 LEU A 26 12.926 -15.896 -4.456 1.00 2.33 H new ATOM 0 HG LEU A 26 13.996 -18.282 -5.205 1.00 52.42 H new ATOM 0 HD11 LEU A 26 16.403 -17.937 -5.599 1.00 42.11 H new ATOM 0 HD12 LEU A 26 15.415 -17.272 -6.922 1.00 42.11 H new ATOM 0 HD13 LEU A 26 16.129 -16.182 -5.709 1.00 42.11 H new ATOM 0 HD21 LEU A 26 15.526 -17.998 -3.295 1.00 50.41 H new ATOM 0 HD22 LEU A 26 15.217 -16.246 -3.314 1.00 50.41 H new ATOM 0 HD23 LEU A 26 13.898 -17.378 -2.934 1.00 50.41 H new ATOM 433 N SER A 27 10.433 -15.654 -5.222 1.00 43.04 N ATOM 434 CA SER A 27 9.300 -14.751 -5.057 1.00 21.21 C ATOM 435 C SER A 27 9.481 -13.873 -3.823 1.00 1.14 C ATOM 436 O SER A 27 9.522 -14.368 -2.696 1.00 11.11 O ATOM 437 CB SER A 27 7.999 -15.548 -4.944 1.00 12.52 C ATOM 438 OG SER A 27 6.997 -14.796 -4.281 1.00 10.03 O ATOM 0 H SER A 27 10.597 -16.275 -4.429 1.00 43.04 H new ATOM 0 HA SER A 27 9.248 -14.107 -5.935 1.00 21.21 H new ATOM 0 HB2 SER A 27 7.651 -15.826 -5.939 1.00 12.52 H new ATOM 0 HB3 SER A 27 8.182 -16.475 -4.400 1.00 12.52 H new ATOM 0 HG SER A 27 6.340 -14.478 -4.935 1.00 10.03 H new ATOM 444 N ILE A 28 9.589 -12.567 -4.044 1.00 60.21 N ATOM 445 CA ILE A 28 9.765 -11.619 -2.951 1.00 35.42 C ATOM 446 C ILE A 28 8.506 -11.528 -2.095 1.00 31.54 C ATOM 447 O ILE A 28 7.390 -11.675 -2.595 1.00 63.34 O ATOM 448 CB ILE A 28 10.118 -10.215 -3.475 1.00 10.14 C ATOM 449 CG1 ILE A 28 11.364 -10.276 -4.360 1.00 40.24 C ATOM 450 CG2 ILE A 28 10.333 -9.255 -2.314 1.00 21.33 C ATOM 451 CD1 ILE A 28 12.630 -10.603 -3.600 1.00 44.44 C ATOM 0 H ILE A 28 9.558 -12.141 -4.970 1.00 60.21 H new ATOM 0 HA ILE A 28 10.590 -11.989 -2.342 1.00 35.42 H new ATOM 0 HB ILE A 28 9.286 -9.848 -4.076 1.00 10.14 H new ATOM 0 HG12 ILE A 28 11.212 -11.026 -5.136 1.00 40.24 H new ATOM 0 HG13 ILE A 28 11.489 -9.317 -4.863 1.00 40.24 H new ATOM 0 HG21 ILE A 28 10.582 -8.267 -2.700 1.00 21.33 H new ATOM 0 HG22 ILE A 28 9.422 -9.193 -1.719 1.00 21.33 H new ATOM 0 HG23 ILE A 28 11.150 -9.617 -1.689 1.00 21.33 H new ATOM 0 HD11 ILE A 28 13.473 -10.630 -4.291 1.00 44.44 H new ATOM 0 HD12 ILE A 28 12.806 -9.840 -2.842 1.00 44.44 H new ATOM 0 HD13 ILE A 28 12.525 -11.575 -3.119 1.00 44.44 H new ATOM 463 N CYS A 29 8.693 -11.284 -0.802 1.00 74.14 N ATOM 464 CA CYS A 29 7.572 -11.172 0.124 1.00 32.13 C ATOM 465 C CYS A 29 7.624 -9.850 0.883 1.00 33.23 C ATOM 466 O CYS A 29 6.591 -9.239 1.156 1.00 3.23 O ATOM 467 CB CYS A 29 7.580 -12.341 1.110 1.00 32.05 C ATOM 468 SG CYS A 29 7.752 -13.963 0.331 1.00 72.41 S ATOM 0 H CYS A 29 9.610 -11.160 -0.372 1.00 74.14 H new ATOM 0 HA CYS A 29 6.649 -11.201 -0.455 1.00 32.13 H new ATOM 0 HB2 CYS A 29 8.398 -12.201 1.817 1.00 32.05 H new ATOM 0 HB3 CYS A 29 6.655 -12.323 1.686 1.00 32.05 H new ATOM 0 HG CYS A 29 8.493 -13.858 -0.732 1.00 72.41 H new ATOM 474 N ALA A 30 8.833 -9.416 1.223 1.00 41.13 N ATOM 475 CA ALA A 30 9.020 -8.167 1.950 1.00 52.41 C ATOM 476 C ALA A 30 10.494 -7.779 2.006 1.00 34.35 C ATOM 477 O ALA A 30 11.365 -8.556 1.615 1.00 45.23 O ATOM 478 CB ALA A 30 8.449 -8.284 3.355 1.00 15.43 C ATOM 0 H ALA A 30 9.698 -9.911 1.006 1.00 41.13 H new ATOM 0 HA ALA A 30 8.485 -7.381 1.416 1.00 52.41 H new ATOM 0 HB1 ALA A 30 8.596 -7.344 3.887 1.00 15.43 H new ATOM 0 HB2 ALA A 30 7.383 -8.506 3.297 1.00 15.43 H new ATOM 0 HB3 ALA A 30 8.958 -9.086 3.889 1.00 15.43 H new ATOM 484 N HIS A 31 10.766 -6.574 2.496 1.00 54.43 N ATOM 485 CA HIS A 31 12.135 -6.083 2.603 1.00 21.32 C ATOM 486 C HIS A 31 12.436 -5.620 4.025 1.00 2.33 C ATOM 487 O HIS A 31 11.555 -5.609 4.885 1.00 32.20 O ATOM 488 CB HIS A 31 12.367 -4.935 1.620 1.00 32.23 C ATOM 489 CG HIS A 31 11.770 -3.636 2.066 1.00 43.31 C ATOM 490 ND1 HIS A 31 12.521 -2.501 2.292 1.00 72.23 N ATOM 491 CD2 HIS A 31 10.487 -3.294 2.326 1.00 53.30 C ATOM 492 CE1 HIS A 31 11.725 -1.518 2.673 1.00 60.10 C ATOM 493 NE2 HIS A 31 10.485 -1.973 2.701 1.00 3.24 N ATOM 0 H HIS A 31 10.056 -5.919 2.825 1.00 54.43 H new ATOM 0 HA HIS A 31 12.809 -6.903 2.356 1.00 21.32 H new ATOM 0 HB2 HIS A 31 13.439 -4.802 1.475 1.00 32.23 H new ATOM 0 HB3 HIS A 31 11.946 -5.206 0.652 1.00 32.23 H new ATOM 0 HD2 HIS A 31 9.625 -3.940 2.252 1.00 53.30 H new ATOM 0 HE1 HIS A 31 12.035 -0.513 2.920 1.00 60.10 H new ATOM 0 HE2 HIS A 31 9.660 -1.431 2.959 1.00 3.24 H new ATOM 501 N TYR A 32 13.686 -5.238 4.266 1.00 74.22 N ATOM 502 CA TYR A 32 14.103 -4.777 5.584 1.00 4.23 C ATOM 503 C TYR A 32 15.184 -3.706 5.470 1.00 54.44 C ATOM 504 O TYR A 32 16.351 -4.009 5.225 1.00 25.24 O ATOM 505 CB TYR A 32 14.620 -5.950 6.418 1.00 31.43 C ATOM 506 CG TYR A 32 14.702 -5.652 7.898 1.00 10.23 C ATOM 507 CD1 TYR A 32 13.554 -5.592 8.679 1.00 23.35 C ATOM 508 CD2 TYR A 32 15.927 -5.428 8.515 1.00 35.13 C ATOM 509 CE1 TYR A 32 13.624 -5.319 10.032 1.00 62.11 C ATOM 510 CE2 TYR A 32 16.006 -5.156 9.867 1.00 0.32 C ATOM 511 CZ TYR A 32 14.852 -5.102 10.621 1.00 23.11 C ATOM 512 OH TYR A 32 14.927 -4.830 11.968 1.00 41.41 O ATOM 0 H TYR A 32 14.427 -5.239 3.565 1.00 74.22 H new ATOM 0 HA TYR A 32 13.235 -4.341 6.079 1.00 4.23 H new ATOM 0 HB2 TYR A 32 13.967 -6.809 6.265 1.00 31.43 H new ATOM 0 HB3 TYR A 32 15.609 -6.233 6.058 1.00 31.43 H new ATOM 0 HD1 TYR A 32 12.591 -5.762 8.221 1.00 23.35 H new ATOM 0 HD2 TYR A 32 16.832 -5.467 7.928 1.00 35.13 H new ATOM 0 HE1 TYR A 32 12.722 -5.276 10.625 1.00 62.11 H new ATOM 0 HE2 TYR A 32 16.966 -4.986 10.331 1.00 0.32 H new ATOM 0 HH TYR A 32 15.864 -4.704 12.225 1.00 41.41 H new ATOM 522 N ASP A 33 14.785 -2.451 5.648 1.00 34.22 N ATOM 523 CA ASP A 33 15.717 -1.333 5.567 1.00 64.21 C ATOM 524 C ASP A 33 16.355 -1.257 4.183 1.00 0.02 C ATOM 525 O ASP A 33 17.391 -0.617 4.000 1.00 30.33 O ATOM 526 CB ASP A 33 16.803 -1.468 6.636 1.00 61.33 C ATOM 527 CG ASP A 33 16.453 -0.730 7.913 1.00 64.12 C ATOM 528 OD1 ASP A 33 16.164 0.483 7.837 1.00 32.43 O ATOM 529 OD2 ASP A 33 16.468 -1.365 8.988 1.00 63.13 O ATOM 0 H ASP A 33 13.822 -2.183 5.849 1.00 34.22 H new ATOM 0 HA ASP A 33 15.159 -0.413 5.741 1.00 64.21 H new ATOM 0 HB2 ASP A 33 16.958 -2.523 6.861 1.00 61.33 H new ATOM 0 HB3 ASP A 33 17.745 -1.083 6.244 1.00 61.33 H new ATOM 534 N TYR A 34 15.730 -1.914 3.213 1.00 61.24 N ATOM 535 CA TYR A 34 16.238 -1.924 1.846 1.00 23.00 C ATOM 536 C TYR A 34 17.618 -2.572 1.782 1.00 31.34 C ATOM 537 O TYR A 34 18.368 -2.368 0.829 1.00 52.25 O ATOM 538 CB TYR A 34 16.306 -0.499 1.295 1.00 43.13 C ATOM 539 CG TYR A 34 15.007 0.263 1.423 1.00 34.14 C ATOM 540 CD1 TYR A 34 14.683 0.931 2.598 1.00 21.40 C ATOM 541 CD2 TYR A 34 14.102 0.316 0.370 1.00 63.53 C ATOM 542 CE1 TYR A 34 13.496 1.627 2.720 1.00 3.01 C ATOM 543 CE2 TYR A 34 12.914 1.011 0.482 1.00 31.23 C ATOM 544 CZ TYR A 34 12.615 1.664 1.660 1.00 42.44 C ATOM 545 OH TYR A 34 11.433 2.358 1.777 1.00 53.32 O ATOM 0 H TYR A 34 14.871 -2.447 3.348 1.00 61.24 H new ATOM 0 HA TYR A 34 15.552 -2.511 1.235 1.00 23.00 H new ATOM 0 HB2 TYR A 34 17.091 0.047 1.819 1.00 43.13 H new ATOM 0 HB3 TYR A 34 16.592 -0.538 0.244 1.00 43.13 H new ATOM 0 HD1 TYR A 34 15.371 0.905 3.430 1.00 21.40 H new ATOM 0 HD2 TYR A 34 14.332 -0.196 -0.553 1.00 63.53 H new ATOM 0 HE1 TYR A 34 13.259 2.139 3.641 1.00 3.01 H new ATOM 0 HE2 TYR A 34 12.223 1.043 -0.347 1.00 31.23 H new ATOM 0 HH TYR A 34 10.927 2.286 0.941 1.00 53.32 H new ATOM 555 N GLU A 35 17.944 -3.356 2.806 1.00 43.52 N ATOM 556 CA GLU A 35 19.234 -4.034 2.867 1.00 75.13 C ATOM 557 C GLU A 35 19.050 -5.549 2.901 1.00 1.44 C ATOM 558 O GLU A 35 20.023 -6.303 2.877 1.00 53.25 O ATOM 559 CB GLU A 35 20.018 -3.576 4.098 1.00 63.12 C ATOM 560 CG GLU A 35 19.137 -3.208 5.279 1.00 13.42 C ATOM 561 CD GLU A 35 19.933 -2.703 6.467 1.00 64.42 C ATOM 562 OE1 GLU A 35 20.441 -3.543 7.240 1.00 72.24 O ATOM 563 OE2 GLU A 35 20.049 -1.470 6.624 1.00 64.13 O ATOM 0 H GLU A 35 17.334 -3.537 3.603 1.00 43.52 H new ATOM 0 HA GLU A 35 19.796 -3.773 1.970 1.00 75.13 H new ATOM 0 HB2 GLU A 35 20.701 -4.370 4.399 1.00 63.12 H new ATOM 0 HB3 GLU A 35 20.629 -2.714 3.829 1.00 63.12 H new ATOM 0 HG2 GLU A 35 18.425 -2.442 4.971 1.00 13.42 H new ATOM 0 HG3 GLU A 35 18.556 -4.080 5.580 1.00 13.42 H new ATOM 570 N TRP A 36 17.797 -5.985 2.959 1.00 23.44 N ATOM 571 CA TRP A 36 17.486 -7.410 2.998 1.00 13.33 C ATOM 572 C TRP A 36 16.137 -7.690 2.344 1.00 64.01 C ATOM 573 O TRP A 36 15.162 -6.977 2.579 1.00 11.24 O ATOM 574 CB TRP A 36 17.480 -7.912 4.443 1.00 74.21 C ATOM 575 CG TRP A 36 18.765 -7.651 5.168 1.00 11.32 C ATOM 576 CD1 TRP A 36 19.018 -6.638 6.049 1.00 74.00 C ATOM 577 CD2 TRP A 36 19.973 -8.413 5.073 1.00 60.10 C ATOM 578 NE1 TRP A 36 20.310 -6.725 6.507 1.00 1.00 N ATOM 579 CE2 TRP A 36 20.917 -7.806 5.924 1.00 10.22 C ATOM 580 CE3 TRP A 36 20.349 -9.551 4.353 1.00 13.45 C ATOM 581 CZ2 TRP A 36 22.211 -8.299 6.072 1.00 13.53 C ATOM 582 CZ3 TRP A 36 21.633 -10.038 4.501 1.00 22.23 C ATOM 583 CH2 TRP A 36 22.551 -9.413 5.356 1.00 65.44 C ATOM 0 H TRP A 36 16.981 -5.374 2.980 1.00 23.44 H new ATOM 0 HA TRP A 36 18.257 -7.941 2.440 1.00 13.33 H new ATOM 0 HB2 TRP A 36 16.663 -7.433 4.983 1.00 74.21 H new ATOM 0 HB3 TRP A 36 17.280 -8.984 4.447 1.00 74.21 H new ATOM 0 HD1 TRP A 36 18.307 -5.880 6.342 1.00 74.00 H new ATOM 0 HE1 TRP A 36 20.747 -6.088 7.173 1.00 1.00 H new ATOM 0 HE3 TRP A 36 19.648 -10.040 3.693 1.00 13.45 H new ATOM 0 HZ2 TRP A 36 22.921 -7.818 6.729 1.00 13.53 H new ATOM 0 HZ3 TRP A 36 21.935 -10.915 3.948 1.00 22.23 H new ATOM 0 HH2 TRP A 36 23.547 -9.820 5.451 1.00 65.44 H new ATOM 594 N PHE A 37 16.089 -8.733 1.521 1.00 1.34 N ATOM 595 CA PHE A 37 14.859 -9.106 0.832 1.00 25.42 C ATOM 596 C PHE A 37 14.458 -10.538 1.174 1.00 32.14 C ATOM 597 O PHE A 37 15.311 -11.406 1.357 1.00 25.54 O ATOM 598 CB PHE A 37 15.034 -8.961 -0.681 1.00 74.40 C ATOM 599 CG PHE A 37 14.313 -7.776 -1.256 1.00 42.25 C ATOM 600 CD1 PHE A 37 12.963 -7.584 -1.013 1.00 12.23 C ATOM 601 CD2 PHE A 37 14.986 -6.853 -2.041 1.00 23.03 C ATOM 602 CE1 PHE A 37 12.297 -6.494 -1.542 1.00 24.03 C ATOM 603 CE2 PHE A 37 14.326 -5.761 -2.572 1.00 63.02 C ATOM 604 CZ PHE A 37 12.980 -5.581 -2.321 1.00 42.13 C ATOM 0 H PHE A 37 16.887 -9.334 1.315 1.00 1.34 H new ATOM 0 HA PHE A 37 14.067 -8.436 1.165 1.00 25.42 H new ATOM 0 HB2 PHE A 37 16.096 -8.876 -0.909 1.00 74.40 H new ATOM 0 HB3 PHE A 37 14.675 -9.867 -1.169 1.00 74.40 H new ATOM 0 HD1 PHE A 37 12.424 -8.294 -0.403 1.00 12.23 H new ATOM 0 HD2 PHE A 37 16.039 -6.989 -2.240 1.00 23.03 H new ATOM 0 HE1 PHE A 37 11.244 -6.357 -1.346 1.00 24.03 H new ATOM 0 HE2 PHE A 37 14.862 -5.049 -3.182 1.00 63.02 H new ATOM 0 HZ PHE A 37 12.462 -4.728 -2.733 1.00 42.13 H new ATOM 614 N ILE A 38 13.153 -10.776 1.260 1.00 43.14 N ATOM 615 CA ILE A 38 12.638 -12.101 1.579 1.00 22.52 C ATOM 616 C ILE A 38 12.101 -12.797 0.333 1.00 34.44 C ATOM 617 O ILE A 38 10.948 -12.602 -0.051 1.00 11.24 O ATOM 618 CB ILE A 38 11.521 -12.031 2.637 1.00 71.32 C ATOM 619 CG1 ILE A 38 11.889 -11.031 3.734 1.00 4.40 C ATOM 620 CG2 ILE A 38 11.268 -13.408 3.232 1.00 75.43 C ATOM 621 CD1 ILE A 38 13.167 -11.379 4.466 1.00 73.24 C ATOM 0 H ILE A 38 12.434 -10.068 1.113 1.00 43.14 H new ATOM 0 HA ILE A 38 13.472 -12.676 1.981 1.00 22.52 H new ATOM 0 HB ILE A 38 10.605 -11.691 2.154 1.00 71.32 H new ATOM 0 HG12 ILE A 38 11.992 -10.040 3.291 1.00 4.40 H new ATOM 0 HG13 ILE A 38 11.072 -10.976 4.453 1.00 4.40 H new ATOM 0 HG21 ILE A 38 10.476 -13.342 3.978 1.00 75.43 H new ATOM 0 HG22 ILE A 38 10.966 -14.096 2.442 1.00 75.43 H new ATOM 0 HG23 ILE A 38 12.180 -13.774 3.703 1.00 75.43 H new ATOM 0 HD11 ILE A 38 13.366 -10.627 5.229 1.00 73.24 H new ATOM 0 HD12 ILE A 38 13.061 -12.356 4.938 1.00 73.24 H new ATOM 0 HD13 ILE A 38 13.996 -11.406 3.759 1.00 73.24 H new ATOM 633 N ALA A 39 12.944 -13.612 -0.293 1.00 15.02 N ATOM 634 CA ALA A 39 12.552 -14.341 -1.493 1.00 41.41 C ATOM 635 C ALA A 39 12.429 -15.834 -1.213 1.00 21.41 C ATOM 636 O ALA A 39 13.245 -16.411 -0.494 1.00 22.32 O ATOM 637 CB ALA A 39 13.553 -14.092 -2.611 1.00 64.14 C ATOM 0 H ALA A 39 13.902 -13.784 0.011 1.00 15.02 H new ATOM 0 HA ALA A 39 11.574 -13.976 -1.807 1.00 41.41 H new ATOM 0 HB1 ALA A 39 13.248 -14.642 -3.501 1.00 64.14 H new ATOM 0 HB2 ALA A 39 13.588 -13.026 -2.837 1.00 64.14 H new ATOM 0 HB3 ALA A 39 14.541 -14.429 -2.297 1.00 64.14 H new ATOM 643 N LYS A 40 11.403 -16.456 -1.784 1.00 64.45 N ATOM 644 CA LYS A 40 11.173 -17.884 -1.597 1.00 52.12 C ATOM 645 C LYS A 40 11.321 -18.637 -2.916 1.00 3.54 C ATOM 646 O LYS A 40 11.185 -18.070 -4.000 1.00 60.12 O ATOM 647 CB LYS A 40 9.778 -18.124 -1.015 1.00 21.11 C ATOM 648 CG LYS A 40 8.694 -17.282 -1.665 1.00 42.03 C ATOM 649 CD LYS A 40 7.309 -17.701 -1.202 1.00 1.14 C ATOM 650 CE LYS A 40 6.251 -16.693 -1.623 1.00 44.45 C ATOM 651 NZ LYS A 40 5.746 -16.961 -2.998 1.00 62.13 N ATOM 0 H LYS A 40 10.717 -15.993 -2.381 1.00 64.45 H new ATOM 0 HA LYS A 40 11.922 -18.259 -0.899 1.00 52.12 H new ATOM 0 HB2 LYS A 40 9.523 -19.178 -1.127 1.00 21.11 H new ATOM 0 HB3 LYS A 40 9.798 -17.913 0.054 1.00 21.11 H new ATOM 0 HG2 LYS A 40 8.856 -16.231 -1.426 1.00 42.03 H new ATOM 0 HG3 LYS A 40 8.760 -17.376 -2.749 1.00 42.03 H new ATOM 0 HD2 LYS A 40 7.066 -18.679 -1.617 1.00 1.14 H new ATOM 0 HD3 LYS A 40 7.303 -17.804 -0.117 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.420 -16.723 -0.918 1.00 44.45 H new ATOM 0 HE3 LYS A 40 6.670 -15.687 -1.579 1.00 44.45 H new ATOM 0 HZ1 LYS A 40 6.008 -16.173 -3.624 1.00 62.13 H new ATOM 0 HZ2 LYS A 40 6.166 -17.842 -3.357 1.00 62.13 H new ATOM 0 HZ3 LYS A 40 4.711 -17.056 -2.975 1.00 62.13 H new ATOM 665 N PRO A 41 11.606 -19.944 -2.823 1.00 1.02 N ATOM 666 CA PRO A 41 11.777 -20.802 -3.999 1.00 30.32 C ATOM 667 C PRO A 41 10.465 -21.040 -4.738 1.00 71.43 C ATOM 668 O PRO A 41 9.591 -21.760 -4.255 1.00 31.45 O ATOM 669 CB PRO A 41 12.303 -22.113 -3.408 1.00 2.30 C ATOM 670 CG PRO A 41 11.805 -22.122 -2.004 1.00 72.41 C ATOM 671 CD PRO A 41 11.782 -20.685 -1.563 1.00 25.13 C ATOM 0 HA PRO A 41 12.442 -20.354 -4.737 1.00 30.32 H new ATOM 0 HB2 PRO A 41 11.934 -22.974 -3.965 1.00 2.30 H new ATOM 0 HB3 PRO A 41 13.392 -22.154 -3.442 1.00 2.30 H new ATOM 0 HG2 PRO A 41 10.810 -22.564 -1.946 1.00 72.41 H new ATOM 0 HG3 PRO A 41 12.456 -22.716 -1.363 1.00 72.41 H new ATOM 0 HD2 PRO A 41 10.967 -20.492 -0.866 1.00 25.13 H new ATOM 0 HD3 PRO A 41 12.706 -20.405 -1.058 1.00 25.13 H new ATOM 679 N ILE A 42 10.334 -20.432 -5.912 1.00 70.03 N ATOM 680 CA ILE A 42 9.129 -20.580 -6.719 1.00 13.15 C ATOM 681 C ILE A 42 9.005 -21.997 -7.268 1.00 44.12 C ATOM 682 O ILE A 42 7.904 -22.477 -7.533 1.00 62.01 O ATOM 683 CB ILE A 42 9.111 -19.583 -7.892 1.00 54.31 C ATOM 684 CG1 ILE A 42 9.007 -18.148 -7.370 1.00 33.44 C ATOM 685 CG2 ILE A 42 7.957 -19.894 -8.834 1.00 20.11 C ATOM 686 CD1 ILE A 42 8.983 -17.106 -8.466 1.00 20.33 C ATOM 0 H ILE A 42 11.048 -19.832 -6.326 1.00 70.03 H new ATOM 0 HA ILE A 42 8.283 -20.372 -6.064 1.00 13.15 H new ATOM 0 HB ILE A 42 10.044 -19.681 -8.446 1.00 54.31 H new ATOM 0 HG12 ILE A 42 8.102 -18.053 -6.770 1.00 33.44 H new ATOM 0 HG13 ILE A 42 9.850 -17.949 -6.709 1.00 33.44 H new ATOM 0 HG21 ILE A 42 7.958 -19.181 -9.658 1.00 20.11 H new ATOM 0 HG22 ILE A 42 8.071 -20.904 -9.228 1.00 20.11 H new ATOM 0 HG23 ILE A 42 7.015 -19.821 -8.291 1.00 20.11 H new ATOM 0 HD11 ILE A 42 8.908 -16.113 -8.023 1.00 20.33 H new ATOM 0 HD12 ILE A 42 9.899 -17.173 -9.052 1.00 20.33 H new ATOM 0 HD13 ILE A 42 8.124 -17.279 -9.114 1.00 20.33 H new ATOM 769 N PRO A 47 10.568 -20.136 2.868 1.00 30.12 N ATOM 770 CA PRO A 47 10.893 -18.712 2.997 1.00 61.44 C ATOM 771 C PRO A 47 12.086 -18.471 3.915 1.00 44.24 C ATOM 772 O PRO A 47 12.095 -18.906 5.065 1.00 11.13 O ATOM 773 CB PRO A 47 9.622 -18.112 3.602 1.00 2.43 C ATOM 774 CG PRO A 47 8.975 -19.243 4.325 1.00 45.34 C ATOM 775 CD PRO A 47 9.299 -20.479 3.533 1.00 64.15 C ATOM 0 HA PRO A 47 11.176 -18.270 2.042 1.00 61.44 H new ATOM 0 HB2 PRO A 47 9.856 -17.291 4.280 1.00 2.43 H new ATOM 0 HB3 PRO A 47 8.967 -17.710 2.829 1.00 2.43 H new ATOM 0 HG2 PRO A 47 9.353 -19.322 5.344 1.00 45.34 H new ATOM 0 HG3 PRO A 47 7.897 -19.096 4.395 1.00 45.34 H new ATOM 0 HD2 PRO A 47 9.406 -21.352 4.177 1.00 64.15 H new ATOM 0 HD3 PRO A 47 8.516 -20.710 2.810 1.00 64.15 H new ATOM 783 N GLY A 48 13.094 -17.773 3.398 1.00 75.24 N ATOM 784 CA GLY A 48 14.278 -17.486 4.185 1.00 1.31 C ATOM 785 C GLY A 48 14.640 -16.014 4.172 1.00 14.32 C ATOM 786 O GLY A 48 13.769 -15.152 4.295 1.00 15.53 O ATOM 0 H GLY A 48 13.111 -17.402 2.448 1.00 75.24 H new ATOM 0 HA2 GLY A 48 14.114 -17.807 5.213 1.00 1.31 H new ATOM 0 HA3 GLY A 48 15.116 -18.067 3.800 1.00 1.31 H new ATOM 790 N LEU A 49 15.928 -15.724 4.025 1.00 54.14 N ATOM 791 CA LEU A 49 16.403 -14.345 3.998 1.00 65.12 C ATOM 792 C LEU A 49 17.577 -14.193 3.035 1.00 11.33 C ATOM 793 O LEU A 49 18.567 -14.918 3.127 1.00 22.31 O ATOM 794 CB LEU A 49 16.819 -13.901 5.401 1.00 2.02 C ATOM 795 CG LEU A 49 16.598 -12.424 5.731 1.00 30.30 C ATOM 796 CD1 LEU A 49 16.386 -12.237 7.225 1.00 23.03 C ATOM 797 CD2 LEU A 49 17.774 -11.588 5.248 1.00 30.01 C ATOM 0 H LEU A 49 16.662 -16.425 3.923 1.00 54.14 H new ATOM 0 HA LEU A 49 15.587 -13.712 3.650 1.00 65.12 H new ATOM 0 HB2 LEU A 49 16.271 -14.501 6.128 1.00 2.02 H new ATOM 0 HB3 LEU A 49 17.877 -14.128 5.533 1.00 2.02 H new ATOM 0 HG LEU A 49 15.701 -12.086 5.213 1.00 30.30 H new ATOM 0 HD11 LEU A 49 16.230 -11.180 7.441 1.00 23.03 H new ATOM 0 HD12 LEU A 49 15.511 -12.805 7.542 1.00 23.03 H new ATOM 0 HD13 LEU A 49 17.264 -12.592 7.764 1.00 23.03 H new ATOM 0 HD21 LEU A 49 17.600 -10.540 5.491 1.00 30.01 H new ATOM 0 HD22 LEU A 49 18.687 -11.927 5.738 1.00 30.01 H new ATOM 0 HD23 LEU A 49 17.879 -11.697 4.169 1.00 30.01 H new ATOM 809 N VAL A 50 17.460 -13.242 2.113 1.00 33.51 N ATOM 810 CA VAL A 50 18.512 -12.992 1.135 1.00 11.04 C ATOM 811 C VAL A 50 18.690 -11.498 0.890 1.00 54.11 C ATOM 812 O VAL A 50 17.727 -10.758 0.686 1.00 33.15 O ATOM 813 CB VAL A 50 18.211 -13.689 -0.205 1.00 15.04 C ATOM 814 CG1 VAL A 50 16.874 -13.222 -0.761 1.00 44.52 C ATOM 815 CG2 VAL A 50 19.331 -13.434 -1.201 1.00 42.12 C ATOM 0 H VAL A 50 16.647 -12.632 2.023 1.00 33.51 H new ATOM 0 HA VAL A 50 19.433 -13.402 1.549 1.00 11.04 H new ATOM 0 HB VAL A 50 18.149 -14.763 -0.031 1.00 15.04 H new ATOM 0 HG11 VAL A 50 16.678 -13.725 -1.708 1.00 44.52 H new ATOM 0 HG12 VAL A 50 16.081 -13.462 -0.052 1.00 44.52 H new ATOM 0 HG13 VAL A 50 16.903 -12.144 -0.922 1.00 44.52 H new ATOM 0 HG21 VAL A 50 19.102 -13.934 -2.142 1.00 42.12 H new ATOM 0 HG22 VAL A 50 19.427 -12.362 -1.373 1.00 42.12 H new ATOM 0 HG23 VAL A 50 20.268 -13.823 -0.802 1.00 42.12 H new ATOM 825 N PRO A 51 19.951 -11.041 0.908 1.00 34.14 N ATOM 826 CA PRO A 51 20.285 -9.631 0.688 1.00 10.15 C ATOM 827 C PRO A 51 20.045 -9.196 -0.753 1.00 72.22 C ATOM 828 O PRO A 51 20.138 -10.002 -1.679 1.00 74.30 O ATOM 829 CB PRO A 51 21.777 -9.563 1.026 1.00 75.20 C ATOM 830 CG PRO A 51 22.281 -10.945 0.790 1.00 3.12 C ATOM 831 CD PRO A 51 21.147 -11.866 1.145 1.00 61.32 C ATOM 0 HA PRO A 51 19.666 -8.967 1.292 1.00 10.15 H new ATOM 0 HB2 PRO A 51 22.294 -8.840 0.395 1.00 75.20 H new ATOM 0 HB3 PRO A 51 21.935 -9.255 2.059 1.00 75.20 H new ATOM 0 HG2 PRO A 51 22.581 -11.079 -0.249 1.00 3.12 H new ATOM 0 HG3 PRO A 51 23.158 -11.151 1.404 1.00 3.12 H new ATOM 0 HD2 PRO A 51 21.147 -12.762 0.524 1.00 61.32 H new ATOM 0 HD3 PRO A 51 21.208 -12.197 2.182 1.00 61.32 H new ATOM 839 N VAL A 52 19.736 -7.916 -0.937 1.00 70.40 N ATOM 840 CA VAL A 52 19.484 -7.374 -2.267 1.00 20.12 C ATOM 841 C VAL A 52 20.719 -7.495 -3.153 1.00 32.13 C ATOM 842 O VAL A 52 20.620 -7.475 -4.379 1.00 73.44 O ATOM 843 CB VAL A 52 19.058 -5.896 -2.198 1.00 53.44 C ATOM 844 CG1 VAL A 52 18.560 -5.420 -3.555 1.00 3.21 C ATOM 845 CG2 VAL A 52 17.992 -5.698 -1.131 1.00 50.41 C ATOM 0 H VAL A 52 19.654 -7.235 -0.182 1.00 70.40 H new ATOM 0 HA VAL A 52 18.672 -7.959 -2.699 1.00 20.12 H new ATOM 0 HB VAL A 52 19.928 -5.298 -1.926 1.00 53.44 H new ATOM 0 HG11 VAL A 52 18.263 -4.373 -3.487 1.00 3.21 H new ATOM 0 HG12 VAL A 52 19.356 -5.524 -4.292 1.00 3.21 H new ATOM 0 HG13 VAL A 52 17.703 -6.021 -3.859 1.00 3.21 H new ATOM 0 HG21 VAL A 52 17.703 -4.648 -1.096 1.00 50.41 H new ATOM 0 HG22 VAL A 52 17.120 -6.307 -1.370 1.00 50.41 H new ATOM 0 HG23 VAL A 52 18.388 -5.998 -0.161 1.00 50.41 H new ATOM 855 N SER A 53 21.882 -7.621 -2.523 1.00 24.14 N ATOM 856 CA SER A 53 23.138 -7.742 -3.254 1.00 23.34 C ATOM 857 C SER A 53 23.311 -9.154 -3.807 1.00 13.40 C ATOM 858 O SER A 53 24.273 -9.440 -4.520 1.00 11.40 O ATOM 859 CB SER A 53 24.318 -7.391 -2.345 1.00 32.03 C ATOM 860 OG SER A 53 25.534 -7.896 -2.869 1.00 34.42 O ATOM 0 H SER A 53 21.981 -7.642 -1.508 1.00 24.14 H new ATOM 0 HA SER A 53 23.112 -7.043 -4.090 1.00 23.34 H new ATOM 0 HB2 SER A 53 24.387 -6.309 -2.236 1.00 32.03 H new ATOM 0 HB3 SER A 53 24.149 -7.802 -1.350 1.00 32.03 H new ATOM 0 HG SER A 53 25.363 -8.335 -3.728 1.00 34.42 H new ATOM 866 N TYR A 54 22.372 -10.032 -3.473 1.00 53.32 N ATOM 867 CA TYR A 54 22.420 -11.414 -3.934 1.00 33.31 C ATOM 868 C TYR A 54 21.156 -11.774 -4.709 1.00 60.42 C ATOM 869 O TYR A 54 20.871 -12.949 -4.943 1.00 54.24 O ATOM 870 CB TYR A 54 22.591 -12.364 -2.747 1.00 2.31 C ATOM 871 CG TYR A 54 24.029 -12.534 -2.311 1.00 32.51 C ATOM 872 CD1 TYR A 54 24.682 -11.538 -1.597 1.00 42.40 C ATOM 873 CD2 TYR A 54 24.734 -13.694 -2.612 1.00 55.41 C ATOM 874 CE1 TYR A 54 25.996 -11.689 -1.197 1.00 72.24 C ATOM 875 CE2 TYR A 54 26.047 -13.854 -2.215 1.00 70.53 C ATOM 876 CZ TYR A 54 26.674 -12.849 -1.509 1.00 32.33 C ATOM 877 OH TYR A 54 27.982 -13.005 -1.111 1.00 40.22 O ATOM 0 H TYR A 54 21.569 -9.811 -2.885 1.00 53.32 H new ATOM 0 HA TYR A 54 23.276 -11.518 -4.601 1.00 33.31 H new ATOM 0 HB2 TYR A 54 22.007 -11.990 -1.906 1.00 2.31 H new ATOM 0 HB3 TYR A 54 22.182 -13.339 -3.011 1.00 2.31 H new ATOM 0 HD1 TYR A 54 24.153 -10.629 -1.350 1.00 42.40 H new ATOM 0 HD2 TYR A 54 24.247 -14.483 -3.165 1.00 55.41 H new ATOM 0 HE1 TYR A 54 26.489 -10.904 -0.643 1.00 72.24 H new ATOM 0 HE2 TYR A 54 26.580 -14.762 -2.456 1.00 70.53 H new ATOM 0 HH TYR A 54 28.313 -13.878 -1.409 1.00 40.22 H new ATOM 887 N VAL A 55 20.402 -10.754 -5.106 1.00 11.03 N ATOM 888 CA VAL A 55 19.169 -10.961 -5.856 1.00 43.34 C ATOM 889 C VAL A 55 18.873 -9.772 -6.764 1.00 34.21 C ATOM 890 O VAL A 55 19.333 -8.658 -6.515 1.00 11.12 O ATOM 891 CB VAL A 55 17.971 -11.186 -4.916 1.00 35.41 C ATOM 892 CG1 VAL A 55 18.118 -12.503 -4.169 1.00 60.21 C ATOM 893 CG2 VAL A 55 17.831 -10.025 -3.943 1.00 60.13 C ATOM 0 H VAL A 55 20.624 -9.776 -4.921 1.00 11.03 H new ATOM 0 HA VAL A 55 19.315 -11.853 -6.465 1.00 43.34 H new ATOM 0 HB VAL A 55 17.064 -11.237 -5.518 1.00 35.41 H new ATOM 0 HG11 VAL A 55 17.262 -12.645 -3.509 1.00 60.21 H new ATOM 0 HG12 VAL A 55 18.165 -13.324 -4.885 1.00 60.21 H new ATOM 0 HG13 VAL A 55 19.033 -12.485 -3.577 1.00 60.21 H new ATOM 0 HG21 VAL A 55 16.979 -10.201 -3.286 1.00 60.13 H new ATOM 0 HG22 VAL A 55 18.738 -9.940 -3.345 1.00 60.13 H new ATOM 0 HG23 VAL A 55 17.675 -9.101 -4.499 1.00 60.13 H new ATOM 903 N ARG A 56 18.100 -10.017 -7.817 1.00 62.43 N ATOM 904 CA ARG A 56 17.742 -8.967 -8.763 1.00 62.21 C ATOM 905 C ARG A 56 16.228 -8.873 -8.923 1.00 74.23 C ATOM 906 O ARG A 56 15.566 -9.859 -9.249 1.00 72.12 O ATOM 907 CB ARG A 56 18.394 -9.231 -10.122 1.00 21.04 C ATOM 908 CG ARG A 56 17.868 -8.338 -11.233 1.00 42.22 C ATOM 909 CD ARG A 56 18.500 -8.684 -12.572 1.00 63.13 C ATOM 910 NE ARG A 56 19.692 -7.884 -12.838 1.00 45.42 N ATOM 911 CZ ARG A 56 20.634 -8.234 -13.707 1.00 24.23 C ATOM 912 NH1 ARG A 56 20.523 -9.365 -14.390 1.00 21.01 N ATOM 913 NH2 ARG A 56 21.690 -7.453 -13.894 1.00 3.44 N ATOM 0 H ARG A 56 17.710 -10.933 -8.036 1.00 62.43 H new ATOM 0 HA ARG A 56 18.108 -8.018 -8.370 1.00 62.21 H new ATOM 0 HB2 ARG A 56 19.471 -9.089 -10.033 1.00 21.04 H new ATOM 0 HB3 ARG A 56 18.231 -10.273 -10.397 1.00 21.04 H new ATOM 0 HG2 ARG A 56 16.785 -8.442 -11.303 1.00 42.22 H new ATOM 0 HG3 ARG A 56 18.073 -7.295 -10.991 1.00 42.22 H new ATOM 0 HD2 ARG A 56 18.763 -9.742 -12.586 1.00 63.13 H new ATOM 0 HD3 ARG A 56 17.772 -8.526 -13.368 1.00 63.13 H new ATOM 0 HE ARG A 56 19.808 -7.008 -12.329 1.00 45.42 H new ATOM 0 HH11 ARG A 56 19.713 -9.969 -14.249 1.00 21.01 H new ATOM 0 HH12 ARG A 56 21.248 -9.631 -15.057 1.00 21.01 H new ATOM 0 HH21 ARG A 56 21.780 -6.582 -13.370 1.00 3.44 H new ATOM 0 HH22 ARG A 56 22.412 -7.723 -14.562 1.00 3.44 H new ATOM 927 N ILE A 57 15.686 -7.682 -8.692 1.00 23.12 N ATOM 928 CA ILE A 57 14.251 -7.460 -8.811 1.00 53.21 C ATOM 929 C ILE A 57 13.822 -7.406 -10.274 1.00 24.24 C ATOM 930 O ILE A 57 14.124 -6.447 -10.984 1.00 52.23 O ATOM 931 CB ILE A 57 13.823 -6.154 -8.115 1.00 23.44 C ATOM 932 CG1 ILE A 57 14.352 -6.120 -6.679 1.00 73.01 C ATOM 933 CG2 ILE A 57 12.308 -6.017 -8.130 1.00 62.05 C ATOM 934 CD1 ILE A 57 13.894 -7.291 -5.839 1.00 21.45 C ATOM 0 H ILE A 57 16.220 -6.856 -8.421 1.00 23.12 H new ATOM 0 HA ILE A 57 13.761 -8.301 -8.321 1.00 53.21 H new ATOM 0 HB ILE A 57 14.249 -5.312 -8.660 1.00 23.44 H new ATOM 0 HG12 ILE A 57 15.442 -6.104 -6.702 1.00 73.01 H new ATOM 0 HG13 ILE A 57 14.029 -5.194 -6.203 1.00 73.01 H new ATOM 0 HG21 ILE A 57 12.022 -5.089 -7.635 1.00 62.05 H new ATOM 0 HG22 ILE A 57 11.954 -6.002 -9.161 1.00 62.05 H new ATOM 0 HG23 ILE A 57 11.861 -6.861 -7.605 1.00 62.05 H new ATOM 0 HD11 ILE A 57 14.307 -7.201 -4.834 1.00 21.45 H new ATOM 0 HD12 ILE A 57 12.805 -7.296 -5.785 1.00 21.45 H new ATOM 0 HD13 ILE A 57 14.239 -8.221 -6.291 1.00 21.45 H new ATOM 946 N ILE A 58 13.117 -8.441 -10.716 1.00 73.50 N ATOM 947 CA ILE A 58 12.644 -8.511 -12.093 1.00 42.32 C ATOM 948 C ILE A 58 11.140 -8.757 -12.147 1.00 2.43 C ATOM 949 O ILE A 58 10.519 -9.089 -11.137 1.00 51.01 O ATOM 950 CB ILE A 58 13.363 -9.623 -12.880 1.00 1.32 C ATOM 951 CG1 ILE A 58 13.392 -10.917 -12.065 1.00 32.24 C ATOM 952 CG2 ILE A 58 14.775 -9.187 -13.242 1.00 60.12 C ATOM 953 CD1 ILE A 58 12.984 -12.139 -12.857 1.00 70.41 C ATOM 0 H ILE A 58 12.860 -9.243 -10.141 1.00 73.50 H new ATOM 0 HA ILE A 58 12.869 -7.548 -12.552 1.00 42.32 H new ATOM 0 HB ILE A 58 12.813 -9.809 -13.803 1.00 1.32 H new ATOM 0 HG12 ILE A 58 14.398 -11.067 -11.673 1.00 32.24 H new ATOM 0 HG13 ILE A 58 12.728 -10.812 -11.207 1.00 32.24 H new ATOM 0 HG21 ILE A 58 15.270 -9.983 -13.798 1.00 60.12 H new ATOM 0 HG22 ILE A 58 14.732 -8.288 -13.857 1.00 60.12 H new ATOM 0 HG23 ILE A 58 15.336 -8.977 -12.331 1.00 60.12 H new ATOM 0 HD11 ILE A 58 13.028 -13.019 -12.216 1.00 70.41 H new ATOM 0 HD12 ILE A 58 11.967 -12.010 -13.227 1.00 70.41 H new ATOM 0 HD13 ILE A 58 13.663 -12.270 -13.700 1.00 70.41 H new ATOM 965 N ASP A 59 10.561 -8.593 -13.331 1.00 44.40 N ATOM 966 CA ASP A 59 9.130 -8.800 -13.518 1.00 10.43 C ATOM 967 C ASP A 59 8.864 -10.080 -14.303 1.00 51.12 C ATOM 968 O ASP A 59 9.304 -10.223 -15.445 1.00 20.53 O ATOM 969 CB ASP A 59 8.510 -7.604 -14.243 1.00 3.35 C ATOM 970 CG ASP A 59 7.058 -7.837 -14.608 1.00 34.33 C ATOM 971 OD1 ASP A 59 6.323 -8.411 -13.777 1.00 75.24 O ATOM 972 OD2 ASP A 59 6.656 -7.447 -15.724 1.00 71.11 O ATOM 0 H ASP A 59 11.061 -8.317 -14.176 1.00 44.40 H new ATOM 0 HA ASP A 59 8.671 -8.896 -12.534 1.00 10.43 H new ATOM 0 HB2 ASP A 59 8.585 -6.720 -13.609 1.00 3.35 H new ATOM 0 HB3 ASP A 59 9.080 -7.396 -15.148 1.00 3.35 H new ATOM 977 N LEU A 60 8.142 -11.008 -13.685 1.00 24.12 N ATOM 978 CA LEU A 60 7.818 -12.278 -14.325 1.00 42.05 C ATOM 979 C LEU A 60 7.226 -12.052 -15.713 1.00 65.41 C ATOM 980 O LEU A 60 7.399 -12.874 -16.613 1.00 42.42 O ATOM 981 CB LEU A 60 6.835 -13.071 -13.462 1.00 64.02 C ATOM 982 CG LEU A 60 5.757 -12.254 -12.750 1.00 10.21 C ATOM 983 CD1 LEU A 60 4.425 -12.988 -12.778 1.00 43.32 C ATOM 984 CD2 LEU A 60 6.173 -11.956 -11.317 1.00 4.41 C ATOM 0 H LEU A 60 7.770 -10.905 -12.741 1.00 24.12 H new ATOM 0 HA LEU A 60 8.740 -12.849 -14.431 1.00 42.05 H new ATOM 0 HB2 LEU A 60 6.344 -13.811 -14.093 1.00 64.02 H new ATOM 0 HB3 LEU A 60 7.403 -13.619 -12.710 1.00 64.02 H new ATOM 0 HG LEU A 60 5.638 -11.307 -13.277 1.00 10.21 H new ATOM 0 HD11 LEU A 60 3.670 -12.391 -12.266 1.00 43.32 H new ATOM 0 HD12 LEU A 60 4.120 -13.150 -13.812 1.00 43.32 H new ATOM 0 HD13 LEU A 60 4.529 -13.950 -12.276 1.00 43.32 H new ATOM 0 HD21 LEU A 60 5.394 -11.374 -10.826 1.00 4.41 H new ATOM 0 HD22 LEU A 60 6.320 -12.892 -10.779 1.00 4.41 H new ATOM 0 HD23 LEU A 60 7.103 -11.388 -11.319 1.00 4.41 H new ATOM 996 N MET A 61 6.530 -10.933 -15.879 1.00 11.32 N ATOM 997 CA MET A 61 5.916 -10.598 -17.158 1.00 53.43 C ATOM 998 C MET A 61 6.936 -9.973 -18.104 1.00 43.41 C ATOM 999 O MET A 61 6.884 -10.184 -19.316 1.00 3.21 O ATOM 1000 CB MET A 61 4.742 -9.638 -16.949 1.00 64.34 C ATOM 1001 CG MET A 61 3.416 -10.343 -16.713 1.00 3.33 C ATOM 1002 SD MET A 61 2.452 -9.583 -15.392 1.00 3.01 S ATOM 1003 CE MET A 61 3.561 -9.791 -14.001 1.00 31.53 C ATOM 0 H MET A 61 6.377 -10.243 -15.144 1.00 11.32 H new ATOM 0 HA MET A 61 5.547 -11.520 -17.608 1.00 53.43 H new ATOM 0 HB2 MET A 61 4.958 -8.993 -16.097 1.00 64.34 H new ATOM 0 HB3 MET A 61 4.651 -8.993 -17.823 1.00 64.34 H new ATOM 0 HG2 MET A 61 2.834 -10.333 -17.635 1.00 3.33 H new ATOM 0 HG3 MET A 61 3.603 -11.388 -16.466 1.00 3.33 H new ATOM 0 HE1 MET A 61 3.078 -10.403 -13.239 1.00 31.53 H new ATOM 0 HE2 MET A 61 4.476 -10.281 -14.335 1.00 31.53 H new ATOM 0 HE3 MET A 61 3.805 -8.815 -13.581 1.00 31.53 H new ATOM 1013 N ASP A 62 7.863 -9.203 -17.543 1.00 75.21 N ATOM 1014 CA ASP A 62 8.896 -8.548 -18.337 1.00 32.12 C ATOM 1015 C ASP A 62 10.236 -8.572 -17.609 1.00 45.24 C ATOM 1016 O ASP A 62 10.684 -7.571 -17.049 1.00 45.05 O ATOM 1017 CB ASP A 62 8.494 -7.105 -18.645 1.00 10.12 C ATOM 1018 CG ASP A 62 9.067 -6.612 -19.959 1.00 24.11 C ATOM 1019 OD1 ASP A 62 10.227 -6.958 -20.266 1.00 61.05 O ATOM 1020 OD2 ASP A 62 8.357 -5.880 -20.679 1.00 51.23 O ATOM 0 H ASP A 62 7.920 -9.017 -16.542 1.00 75.21 H new ATOM 0 HA ASP A 62 9.002 -9.095 -19.274 1.00 32.12 H new ATOM 0 HB2 ASP A 62 7.407 -7.033 -18.676 1.00 10.12 H new ATOM 0 HB3 ASP A 62 8.834 -6.456 -17.838 1.00 10.12 H new ATOM 1025 N PRO A 63 10.893 -9.741 -17.616 1.00 31.53 N ATOM 1026 CA PRO A 63 12.191 -9.924 -16.960 1.00 45.04 C ATOM 1027 C PRO A 63 13.312 -9.179 -17.677 1.00 63.14 C ATOM 1028 O PRO A 63 14.437 -9.107 -17.184 1.00 1.45 O ATOM 1029 CB PRO A 63 12.419 -11.436 -17.038 1.00 53.33 C ATOM 1030 CG PRO A 63 11.620 -11.879 -18.215 1.00 53.30 C ATOM 1031 CD PRO A 63 10.418 -10.976 -18.263 1.00 43.24 C ATOM 0 HA PRO A 63 12.193 -9.531 -15.943 1.00 45.04 H new ATOM 0 HB2 PRO A 63 13.476 -11.671 -17.166 1.00 53.33 H new ATOM 0 HB3 PRO A 63 12.090 -11.934 -16.126 1.00 53.33 H new ATOM 0 HG2 PRO A 63 12.202 -11.803 -19.133 1.00 53.30 H new ATOM 0 HG3 PRO A 63 11.321 -12.922 -18.113 1.00 53.30 H new ATOM 0 HD2 PRO A 63 10.093 -10.794 -19.287 1.00 43.24 H new ATOM 0 HD3 PRO A 63 9.570 -11.407 -17.732 1.00 43.24 H new ATOM 1039 N ALA A 64 12.998 -8.627 -18.844 1.00 55.34 N ATOM 1040 CA ALA A 64 13.978 -7.885 -19.628 1.00 31.22 C ATOM 1041 C ALA A 64 13.876 -6.388 -19.359 1.00 5.43 C ATOM 1042 O ALA A 64 14.755 -5.616 -19.744 1.00 51.12 O ATOM 1043 CB ALA A 64 13.793 -8.171 -21.111 1.00 3.51 C ATOM 0 H ALA A 64 12.072 -8.680 -19.268 1.00 55.34 H new ATOM 0 HA ALA A 64 14.972 -8.214 -19.327 1.00 31.22 H new ATOM 0 HB1 ALA A 64 14.531 -7.610 -21.685 1.00 3.51 H new ATOM 0 HB2 ALA A 64 13.924 -9.237 -21.295 1.00 3.51 H new ATOM 0 HB3 ALA A 64 12.791 -7.870 -21.417 1.00 3.51 H new ATOM 1049 N LYS A 65 12.799 -5.982 -18.695 1.00 61.12 N ATOM 1050 CA LYS A 65 12.582 -4.577 -18.373 1.00 40.34 C ATOM 1051 C LYS A 65 13.313 -4.193 -17.090 1.00 73.15 C ATOM 1052 O LYS A 65 14.053 -3.210 -17.057 1.00 11.24 O ATOM 1053 CB LYS A 65 11.086 -4.291 -18.226 1.00 32.25 C ATOM 1054 CG LYS A 65 10.725 -2.827 -18.410 1.00 72.42 C ATOM 1055 CD LYS A 65 9.347 -2.518 -17.848 1.00 44.31 C ATOM 1056 CE LYS A 65 8.264 -3.316 -18.557 1.00 12.40 C ATOM 1057 NZ LYS A 65 6.964 -2.590 -18.577 1.00 14.24 N ATOM 0 H LYS A 65 12.062 -6.607 -18.369 1.00 61.12 H new ATOM 0 HA LYS A 65 12.981 -3.977 -19.191 1.00 40.34 H new ATOM 0 HB2 LYS A 65 10.538 -4.886 -18.956 1.00 32.25 H new ATOM 0 HB3 LYS A 65 10.758 -4.616 -17.239 1.00 32.25 H new ATOM 0 HG2 LYS A 65 11.469 -2.203 -17.915 1.00 72.42 H new ATOM 0 HG3 LYS A 65 10.752 -2.575 -19.470 1.00 72.42 H new ATOM 0 HD2 LYS A 65 9.328 -2.745 -16.782 1.00 44.31 H new ATOM 0 HD3 LYS A 65 9.142 -1.452 -17.951 1.00 44.31 H new ATOM 0 HE2 LYS A 65 8.578 -3.526 -19.579 1.00 12.40 H new ATOM 0 HE3 LYS A 65 8.136 -4.277 -18.059 1.00 12.40 H new ATOM 0 HZ1 LYS A 65 6.252 -3.167 -19.069 1.00 14.24 H new ATOM 0 HZ2 LYS A 65 6.651 -2.411 -17.601 1.00 14.24 H new ATOM 0 HZ3 LYS A 65 7.080 -1.684 -19.075 1.00 14.24 H new ATOM 1071 N TYR A 66 13.101 -4.976 -16.038 1.00 41.42 N ATOM 1072 CA TYR A 66 13.739 -4.717 -14.753 1.00 21.01 C ATOM 1073 C TYR A 66 15.021 -5.531 -14.607 1.00 70.33 C ATOM 1074 O TYR A 66 15.477 -5.798 -13.496 1.00 4.20 O ATOM 1075 CB TYR A 66 12.780 -5.047 -13.608 1.00 54.41 C ATOM 1076 CG TYR A 66 11.695 -4.012 -13.410 1.00 52.04 C ATOM 1077 CD1 TYR A 66 10.606 -3.946 -14.271 1.00 51.41 C ATOM 1078 CD2 TYR A 66 11.759 -3.100 -12.364 1.00 20.40 C ATOM 1079 CE1 TYR A 66 9.613 -3.002 -14.095 1.00 13.31 C ATOM 1080 CE2 TYR A 66 10.770 -2.154 -12.179 1.00 73.13 C ATOM 1081 CZ TYR A 66 9.699 -2.109 -13.047 1.00 52.44 C ATOM 1082 OH TYR A 66 8.712 -1.167 -12.868 1.00 0.53 O ATOM 0 H TYR A 66 12.493 -5.795 -16.050 1.00 41.42 H new ATOM 0 HA TYR A 66 13.995 -3.658 -14.711 1.00 21.01 H new ATOM 0 HB2 TYR A 66 12.317 -6.015 -13.801 1.00 54.41 H new ATOM 0 HB3 TYR A 66 13.350 -5.145 -12.684 1.00 54.41 H new ATOM 0 HD1 TYR A 66 10.535 -4.645 -15.092 1.00 51.41 H new ATOM 0 HD2 TYR A 66 12.597 -3.131 -11.683 1.00 20.40 H new ATOM 0 HE1 TYR A 66 8.774 -2.963 -14.774 1.00 13.31 H new ATOM 0 HE2 TYR A 66 10.835 -1.454 -11.359 1.00 73.13 H new ATOM 0 HH TYR A 66 8.923 -0.617 -12.085 1.00 0.53 H new ATOM 1092 N ALA A 67 15.597 -5.923 -15.739 1.00 60.11 N ATOM 1093 CA ALA A 67 16.828 -6.704 -15.739 1.00 75.44 C ATOM 1094 C ALA A 67 18.053 -5.799 -15.682 1.00 50.34 C ATOM 1095 O ALA A 67 19.150 -6.243 -15.345 1.00 21.31 O ATOM 1096 CB ALA A 67 16.885 -7.597 -16.970 1.00 65.30 C ATOM 0 H ALA A 67 15.231 -5.713 -16.667 1.00 60.11 H new ATOM 0 HA ALA A 67 16.832 -7.331 -14.848 1.00 75.44 H new ATOM 0 HB1 ALA A 67 17.809 -8.175 -16.958 1.00 65.30 H new ATOM 0 HB2 ALA A 67 16.032 -8.276 -16.967 1.00 65.30 H new ATOM 0 HB3 ALA A 67 16.854 -6.981 -17.868 1.00 65.30 H new ATOM 1102 N SER A 68 17.859 -4.527 -16.015 1.00 51.52 N ATOM 1103 CA SER A 68 18.950 -3.559 -16.006 1.00 71.01 C ATOM 1104 C SER A 68 19.019 -2.830 -14.668 1.00 34.24 C ATOM 1105 O SER A 68 20.023 -2.197 -14.343 1.00 24.41 O ATOM 1106 CB SER A 68 18.773 -2.549 -17.141 1.00 42.33 C ATOM 1107 OG SER A 68 17.906 -1.496 -16.757 1.00 32.22 O ATOM 0 H SER A 68 16.957 -4.143 -16.294 1.00 51.52 H new ATOM 0 HA SER A 68 19.884 -4.101 -16.153 1.00 71.01 H new ATOM 0 HB2 SER A 68 19.743 -2.141 -17.423 1.00 42.33 H new ATOM 0 HB3 SER A 68 18.371 -3.052 -18.020 1.00 42.33 H new ATOM 0 HG SER A 68 17.811 -0.863 -17.499 1.00 32.22 H new ATOM 1113 N VAL A 69 17.942 -2.924 -13.894 1.00 33.12 N ATOM 1114 CA VAL A 69 17.879 -2.275 -12.590 1.00 35.44 C ATOM 1115 C VAL A 69 19.100 -2.620 -11.745 1.00 34.35 C ATOM 1116 O VAL A 69 19.613 -3.738 -11.804 1.00 42.43 O ATOM 1117 CB VAL A 69 16.606 -2.680 -11.822 1.00 72.34 C ATOM 1118 CG1 VAL A 69 16.663 -4.149 -11.430 1.00 41.12 C ATOM 1119 CG2 VAL A 69 16.420 -1.799 -10.596 1.00 64.42 C ATOM 0 H VAL A 69 17.102 -3.443 -14.148 1.00 33.12 H new ATOM 0 HA VAL A 69 17.858 -1.201 -12.772 1.00 35.44 H new ATOM 0 HB VAL A 69 15.747 -2.537 -12.477 1.00 72.34 H new ATOM 0 HG11 VAL A 69 15.756 -4.417 -10.889 1.00 41.12 H new ATOM 0 HG12 VAL A 69 16.744 -4.762 -12.328 1.00 41.12 H new ATOM 0 HG13 VAL A 69 17.530 -4.322 -10.793 1.00 41.12 H new ATOM 0 HG21 VAL A 69 15.516 -2.099 -10.066 1.00 64.42 H new ATOM 0 HG22 VAL A 69 17.281 -1.907 -9.936 1.00 64.42 H new ATOM 0 HG23 VAL A 69 16.330 -0.758 -10.906 1.00 64.42 H new ATOM 1129 N ASP A 70 19.559 -1.654 -10.957 1.00 44.05 N ATOM 1130 CA ASP A 70 20.720 -1.855 -10.098 1.00 20.32 C ATOM 1131 C ASP A 70 20.294 -2.048 -8.646 1.00 11.23 C ATOM 1132 O ASP A 70 20.243 -1.093 -7.870 1.00 55.41 O ATOM 1133 CB ASP A 70 21.676 -0.666 -10.209 1.00 32.44 C ATOM 1134 CG ASP A 70 21.985 -0.304 -11.648 1.00 22.41 C ATOM 1135 OD1 ASP A 70 22.226 -1.228 -12.453 1.00 31.01 O ATOM 1136 OD2 ASP A 70 21.988 0.903 -11.969 1.00 75.41 O ATOM 0 H ASP A 70 19.145 -0.724 -10.895 1.00 44.05 H new ATOM 0 HA ASP A 70 21.235 -2.757 -10.430 1.00 20.32 H new ATOM 0 HB2 ASP A 70 21.238 0.197 -9.706 1.00 32.44 H new ATOM 0 HB3 ASP A 70 22.605 -0.901 -9.689 1.00 32.44 H new ATOM 1141 N THR A 71 19.988 -3.290 -8.284 1.00 14.23 N ATOM 1142 CA THR A 71 19.564 -3.608 -6.926 1.00 53.40 C ATOM 1143 C THR A 71 20.547 -3.057 -5.900 1.00 1.22 C ATOM 1144 O THR A 71 20.166 -2.720 -4.779 1.00 14.23 O ATOM 1145 CB THR A 71 19.425 -5.128 -6.722 1.00 75.13 C ATOM 1146 OG1 THR A 71 20.097 -5.827 -7.776 1.00 31.02 O ATOM 1147 CG2 THR A 71 17.960 -5.538 -6.689 1.00 51.22 C ATOM 0 H THR A 71 20.026 -4.092 -8.913 1.00 14.23 H new ATOM 0 HA THR A 71 18.591 -3.139 -6.781 1.00 53.40 H new ATOM 0 HB THR A 71 19.880 -5.387 -5.766 1.00 75.13 H new ATOM 0 HG1 THR A 71 20.032 -6.793 -7.622 1.00 31.02 H new ATOM 0 HG21 THR A 71 17.887 -6.616 -6.544 1.00 51.22 H new ATOM 0 HG22 THR A 71 17.457 -5.027 -5.868 1.00 51.22 H new ATOM 0 HG23 THR A 71 17.485 -5.266 -7.631 1.00 51.22 H new ATOM 1155 N TYR A 72 21.814 -2.967 -6.290 1.00 34.31 N ATOM 1156 CA TYR A 72 22.853 -2.458 -5.402 1.00 74.45 C ATOM 1157 C TYR A 72 22.540 -1.033 -4.959 1.00 10.41 C ATOM 1158 O TYR A 72 22.612 -0.709 -3.773 1.00 71.51 O ATOM 1159 CB TYR A 72 24.214 -2.501 -6.099 1.00 54.23 C ATOM 1160 CG TYR A 72 25.300 -1.760 -5.352 1.00 73.32 C ATOM 1161 CD1 TYR A 72 25.757 -2.214 -4.121 1.00 51.21 C ATOM 1162 CD2 TYR A 72 25.870 -0.607 -5.878 1.00 75.32 C ATOM 1163 CE1 TYR A 72 26.748 -1.540 -3.435 1.00 4.11 C ATOM 1164 CE2 TYR A 72 26.863 0.072 -5.200 1.00 14.43 C ATOM 1165 CZ TYR A 72 27.298 -0.398 -3.978 1.00 42.43 C ATOM 1166 OH TYR A 72 28.287 0.276 -3.298 1.00 61.14 O ATOM 0 H TYR A 72 22.146 -3.240 -7.215 1.00 34.31 H new ATOM 0 HA TYR A 72 22.885 -3.095 -4.518 1.00 74.45 H new ATOM 0 HB2 TYR A 72 24.516 -3.541 -6.225 1.00 54.23 H new ATOM 0 HB3 TYR A 72 24.115 -2.075 -7.097 1.00 54.23 H new ATOM 0 HD1 TYR A 72 25.330 -3.109 -3.693 1.00 51.21 H new ATOM 0 HD2 TYR A 72 25.530 -0.236 -6.834 1.00 75.32 H new ATOM 0 HE1 TYR A 72 27.091 -1.905 -2.478 1.00 4.11 H new ATOM 0 HE2 TYR A 72 27.297 0.966 -5.624 1.00 14.43 H new ATOM 0 HH TYR A 72 28.567 1.058 -3.818 1.00 61.14 H new ATOM 1176 N ASP A 73 22.192 -0.184 -5.920 1.00 62.10 N ATOM 1177 CA ASP A 73 21.866 1.208 -5.630 1.00 63.53 C ATOM 1178 C ASP A 73 20.621 1.303 -4.755 1.00 12.03 C ATOM 1179 O ASP A 73 19.517 0.978 -5.192 1.00 14.44 O ATOM 1180 CB ASP A 73 21.652 1.985 -6.930 1.00 71.41 C ATOM 1181 CG ASP A 73 22.949 2.515 -7.508 1.00 62.34 C ATOM 1182 OD1 ASP A 73 23.739 3.111 -6.746 1.00 61.14 O ATOM 1183 OD2 ASP A 73 23.175 2.332 -8.723 1.00 1.42 O ATOM 0 H ASP A 73 22.128 -0.435 -6.907 1.00 62.10 H new ATOM 0 HA ASP A 73 22.703 1.647 -5.087 1.00 63.53 H new ATOM 0 HB2 ASP A 73 21.170 1.337 -7.662 1.00 71.41 H new ATOM 0 HB3 ASP A 73 20.973 2.817 -6.745 1.00 71.41 H new ATOM 1188 N ARG A 74 20.807 1.749 -3.517 1.00 12.42 N ATOM 1189 CA ARG A 74 19.699 1.885 -2.579 1.00 53.21 C ATOM 1190 C ARG A 74 18.588 2.748 -3.171 1.00 61.12 C ATOM 1191 O ARG A 74 17.421 2.607 -2.809 1.00 14.10 O ATOM 1192 CB ARG A 74 20.187 2.496 -1.264 1.00 63.23 C ATOM 1193 CG ARG A 74 20.441 3.992 -1.345 1.00 13.33 C ATOM 1194 CD ARG A 74 21.673 4.305 -2.179 1.00 61.41 C ATOM 1195 NE ARG A 74 22.835 3.531 -1.750 1.00 1.23 N ATOM 1196 CZ ARG A 74 23.912 3.343 -2.504 1.00 3.10 C ATOM 1197 NH1 ARG A 74 23.975 3.870 -3.719 1.00 1.20 N ATOM 1198 NH2 ARG A 74 24.930 2.627 -2.043 1.00 32.00 N ATOM 0 H ARG A 74 21.715 2.022 -3.140 1.00 12.42 H new ATOM 0 HA ARG A 74 19.298 0.890 -2.383 1.00 53.21 H new ATOM 0 HB2 ARG A 74 19.447 2.303 -0.487 1.00 63.23 H new ATOM 0 HB3 ARG A 74 21.106 1.996 -0.960 1.00 63.23 H new ATOM 0 HG2 ARG A 74 19.572 4.486 -1.779 1.00 13.33 H new ATOM 0 HG3 ARG A 74 20.569 4.395 -0.340 1.00 13.33 H new ATOM 0 HD2 ARG A 74 21.464 4.094 -3.228 1.00 61.41 H new ATOM 0 HD3 ARG A 74 21.899 5.369 -2.107 1.00 61.41 H new ATOM 0 HE ARG A 74 22.818 3.112 -0.820 1.00 1.23 H new ATOM 0 HH11 ARG A 74 23.195 4.421 -4.077 1.00 1.20 H new ATOM 0 HH12 ARG A 74 24.803 3.724 -4.296 1.00 1.20 H new ATOM 0 HH21 ARG A 74 24.886 2.220 -1.109 1.00 32.00 H new ATOM 0 HH22 ARG A 74 25.757 2.483 -2.623 1.00 32.00 H new ATOM 1212 N GLU A 75 18.961 3.641 -4.083 1.00 23.51 N ATOM 1213 CA GLU A 75 17.996 4.526 -4.723 1.00 44.44 C ATOM 1214 C GLU A 75 17.028 3.735 -5.598 1.00 31.13 C ATOM 1215 O GLU A 75 15.812 3.902 -5.503 1.00 4.32 O ATOM 1216 CB GLU A 75 18.719 5.579 -5.567 1.00 74.11 C ATOM 1217 CG GLU A 75 18.847 6.927 -4.879 1.00 3.33 C ATOM 1218 CD GLU A 75 19.217 8.040 -5.840 1.00 11.30 C ATOM 1219 OE1 GLU A 75 19.035 7.853 -7.061 1.00 50.14 O ATOM 1220 OE2 GLU A 75 19.688 9.098 -5.372 1.00 30.53 O ATOM 0 H GLU A 75 19.924 3.770 -4.394 1.00 23.51 H new ATOM 0 HA GLU A 75 17.425 5.026 -3.940 1.00 44.44 H new ATOM 0 HB2 GLU A 75 19.715 5.212 -5.816 1.00 74.11 H new ATOM 0 HB3 GLU A 75 18.183 5.710 -6.507 1.00 74.11 H new ATOM 0 HG2 GLU A 75 17.904 7.172 -4.391 1.00 3.33 H new ATOM 0 HG3 GLU A 75 19.603 6.861 -4.097 1.00 3.33 H new ATOM 1227 N GLN A 76 17.577 2.874 -6.448 1.00 74.34 N ATOM 1228 CA GLN A 76 16.762 2.057 -7.340 1.00 54.44 C ATOM 1229 C GLN A 76 15.843 1.134 -6.546 1.00 44.14 C ATOM 1230 O GLN A 76 14.625 1.153 -6.721 1.00 71.35 O ATOM 1231 CB GLN A 76 17.654 1.233 -8.269 1.00 62.24 C ATOM 1232 CG GLN A 76 18.680 2.064 -9.023 1.00 71.22 C ATOM 1233 CD GLN A 76 18.363 2.182 -10.501 1.00 22.30 C ATOM 1234 OE1 GLN A 76 17.424 2.875 -10.893 1.00 31.20 O ATOM 1235 NE2 GLN A 76 19.148 1.504 -11.331 1.00 35.22 N ATOM 0 H GLN A 76 18.582 2.724 -6.538 1.00 74.34 H new ATOM 0 HA GLN A 76 16.144 2.725 -7.940 1.00 54.44 H new ATOM 0 HB2 GLN A 76 18.173 0.475 -7.682 1.00 62.24 H new ATOM 0 HB3 GLN A 76 17.027 0.706 -8.988 1.00 62.24 H new ATOM 0 HG2 GLN A 76 18.727 3.061 -8.585 1.00 71.22 H new ATOM 0 HG3 GLN A 76 19.666 1.615 -8.901 1.00 71.22 H new ATOM 0 HE21 GLN A 76 19.915 0.942 -10.962 1.00 35.22 H new ATOM 0 HE22 GLN A 76 18.984 1.546 -12.337 1.00 35.22 H new ATOM 1244 N VAL A 77 16.436 0.326 -5.673 1.00 1.43 N ATOM 1245 CA VAL A 77 15.671 -0.604 -4.851 1.00 25.10 C ATOM 1246 C VAL A 77 14.599 0.125 -4.049 1.00 24.45 C ATOM 1247 O VAL A 77 13.541 -0.433 -3.758 1.00 42.43 O ATOM 1248 CB VAL A 77 16.585 -1.378 -3.882 1.00 72.41 C ATOM 1249 CG1 VAL A 77 16.716 -0.634 -2.562 1.00 63.21 C ATOM 1250 CG2 VAL A 77 16.053 -2.786 -3.659 1.00 72.14 C ATOM 0 H VAL A 77 17.444 0.297 -5.517 1.00 1.43 H new ATOM 0 HA VAL A 77 15.194 -1.310 -5.531 1.00 25.10 H new ATOM 0 HB VAL A 77 17.577 -1.455 -4.328 1.00 72.41 H new ATOM 0 HG11 VAL A 77 17.365 -1.196 -1.890 1.00 63.21 H new ATOM 0 HG12 VAL A 77 17.145 0.352 -2.741 1.00 63.21 H new ATOM 0 HG13 VAL A 77 15.732 -0.524 -2.107 1.00 63.21 H new ATOM 0 HG21 VAL A 77 16.711 -3.319 -2.972 1.00 72.14 H new ATOM 0 HG22 VAL A 77 15.051 -2.733 -3.234 1.00 72.14 H new ATOM 0 HG23 VAL A 77 16.016 -3.316 -4.611 1.00 72.14 H new ATOM 1260 N MET A 78 14.881 1.374 -3.693 1.00 72.13 N ATOM 1261 CA MET A 78 13.939 2.180 -2.925 1.00 40.13 C ATOM 1262 C MET A 78 12.703 2.511 -3.756 1.00 20.23 C ATOM 1263 O MET A 78 11.577 2.204 -3.362 1.00 45.11 O ATOM 1264 CB MET A 78 14.609 3.471 -2.450 1.00 72.10 C ATOM 1265 CG MET A 78 15.134 3.394 -1.026 1.00 2.23 C ATOM 1266 SD MET A 78 15.588 5.009 -0.365 1.00 14.33 S ATOM 1267 CE MET A 78 17.369 4.961 -0.544 1.00 60.43 C ATOM 0 H MET A 78 15.753 1.850 -3.924 1.00 72.13 H new ATOM 0 HA MET A 78 13.627 1.600 -2.057 1.00 40.13 H new ATOM 0 HB2 MET A 78 15.434 3.710 -3.120 1.00 72.10 H new ATOM 0 HB3 MET A 78 13.893 4.290 -2.521 1.00 72.10 H new ATOM 0 HG2 MET A 78 14.374 2.945 -0.387 1.00 2.23 H new ATOM 0 HG3 MET A 78 16.003 2.737 -0.998 1.00 2.23 H new ATOM 0 HE1 MET A 78 17.834 5.443 0.316 1.00 60.43 H new ATOM 0 HE2 MET A 78 17.701 3.924 -0.603 1.00 60.43 H new ATOM 0 HE3 MET A 78 17.657 5.486 -1.454 1.00 60.43 H new ATOM 1277 N LYS A 79 12.920 3.139 -4.907 1.00 34.44 N ATOM 1278 CA LYS A 79 11.824 3.510 -5.794 1.00 11.52 C ATOM 1279 C LYS A 79 11.006 2.286 -6.191 1.00 34.12 C ATOM 1280 O LYS A 79 9.784 2.362 -6.327 1.00 62.12 O ATOM 1281 CB LYS A 79 12.367 4.202 -7.046 1.00 51.13 C ATOM 1282 CG LYS A 79 13.203 5.434 -6.747 1.00 11.34 C ATOM 1283 CD LYS A 79 14.290 5.637 -7.788 1.00 45.22 C ATOM 1284 CE LYS A 79 15.053 6.932 -7.553 1.00 22.12 C ATOM 1285 NZ LYS A 79 15.942 7.269 -8.699 1.00 72.54 N ATOM 0 H LYS A 79 13.845 3.402 -5.247 1.00 34.44 H new ATOM 0 HA LYS A 79 11.173 4.200 -5.257 1.00 11.52 H new ATOM 0 HB2 LYS A 79 12.971 3.492 -7.610 1.00 51.13 H new ATOM 0 HB3 LYS A 79 11.531 4.487 -7.685 1.00 51.13 H new ATOM 0 HG2 LYS A 79 12.559 6.313 -6.716 1.00 11.34 H new ATOM 0 HG3 LYS A 79 13.656 5.336 -5.761 1.00 11.34 H new ATOM 0 HD2 LYS A 79 14.982 4.796 -7.761 1.00 45.22 H new ATOM 0 HD3 LYS A 79 13.844 5.652 -8.783 1.00 45.22 H new ATOM 0 HE2 LYS A 79 14.346 7.746 -7.391 1.00 22.12 H new ATOM 0 HE3 LYS A 79 15.649 6.842 -6.645 1.00 22.12 H new ATOM 0 HZ1 LYS A 79 16.444 8.158 -8.499 1.00 72.54 H new ATOM 0 HZ2 LYS A 79 16.633 6.505 -8.838 1.00 72.54 H new ATOM 0 HZ3 LYS A 79 15.370 7.380 -9.561 1.00 72.54 H new ATOM 1299 N ILE A 80 11.686 1.159 -6.373 1.00 51.32 N ATOM 1300 CA ILE A 80 11.021 -0.081 -6.752 1.00 32.32 C ATOM 1301 C ILE A 80 10.096 -0.570 -5.642 1.00 23.21 C ATOM 1302 O ILE A 80 8.923 -0.858 -5.880 1.00 12.24 O ATOM 1303 CB ILE A 80 12.039 -1.188 -7.081 1.00 24.51 C ATOM 1304 CG1 ILE A 80 12.936 -0.757 -8.243 1.00 65.30 C ATOM 1305 CG2 ILE A 80 11.321 -2.488 -7.413 1.00 52.41 C ATOM 1306 CD1 ILE A 80 14.303 -1.406 -8.224 1.00 51.15 C ATOM 0 H ILE A 80 12.697 1.079 -6.264 1.00 51.32 H new ATOM 0 HA ILE A 80 10.432 0.136 -7.643 1.00 32.32 H new ATOM 0 HB ILE A 80 12.666 -1.356 -6.205 1.00 24.51 H new ATOM 0 HG12 ILE A 80 12.441 -0.999 -9.183 1.00 65.30 H new ATOM 0 HG13 ILE A 80 13.056 0.326 -8.216 1.00 65.30 H new ATOM 0 HG21 ILE A 80 12.055 -3.260 -7.643 1.00 52.41 H new ATOM 0 HG22 ILE A 80 10.721 -2.801 -6.558 1.00 52.41 H new ATOM 0 HG23 ILE A 80 10.672 -2.335 -8.275 1.00 52.41 H new ATOM 0 HD11 ILE A 80 14.885 -1.054 -9.076 1.00 51.15 H new ATOM 0 HD12 ILE A 80 14.818 -1.143 -7.300 1.00 51.15 H new ATOM 0 HD13 ILE A 80 14.193 -2.489 -8.282 1.00 51.15 H new ATOM 1318 N ILE A 81 10.633 -0.660 -4.430 1.00 35.14 N ATOM 1319 CA ILE A 81 9.855 -1.111 -3.282 1.00 73.23 C ATOM 1320 C ILE A 81 8.675 -0.182 -3.018 1.00 42.51 C ATOM 1321 O ILE A 81 7.605 -0.623 -2.600 1.00 73.44 O ATOM 1322 CB ILE A 81 10.722 -1.196 -2.012 1.00 52.34 C ATOM 1323 CG1 ILE A 81 11.770 -2.301 -2.156 1.00 75.45 C ATOM 1324 CG2 ILE A 81 9.849 -1.441 -0.791 1.00 22.34 C ATOM 1325 CD1 ILE A 81 12.850 -2.252 -1.099 1.00 11.31 C ATOM 0 H ILE A 81 11.603 -0.427 -4.217 1.00 35.14 H new ATOM 0 HA ILE A 81 9.483 -2.106 -3.525 1.00 73.23 H new ATOM 0 HB ILE A 81 11.240 -0.246 -1.879 1.00 52.34 H new ATOM 0 HG12 ILE A 81 11.273 -3.270 -2.111 1.00 75.45 H new ATOM 0 HG13 ILE A 81 12.233 -2.226 -3.140 1.00 75.45 H new ATOM 0 HG21 ILE A 81 10.476 -1.499 0.099 1.00 22.34 H new ATOM 0 HG22 ILE A 81 9.138 -0.622 -0.682 1.00 22.34 H new ATOM 0 HG23 ILE A 81 9.306 -2.378 -0.914 1.00 22.34 H new ATOM 0 HD11 ILE A 81 13.558 -3.065 -1.264 1.00 11.31 H new ATOM 0 HD12 ILE A 81 13.373 -1.298 -1.158 1.00 11.31 H new ATOM 0 HD13 ILE A 81 12.399 -2.358 -0.113 1.00 11.31 H new ATOM 1337 N ASP A 82 8.878 1.108 -3.266 1.00 22.31 N ATOM 1338 CA ASP A 82 7.831 2.101 -3.058 1.00 35.53 C ATOM 1339 C ASP A 82 6.734 1.962 -4.109 1.00 32.21 C ATOM 1340 O ASP A 82 5.547 1.957 -3.784 1.00 21.42 O ATOM 1341 CB ASP A 82 8.420 3.511 -3.100 1.00 54.44 C ATOM 1342 CG ASP A 82 7.403 4.575 -2.735 1.00 74.32 C ATOM 1343 OD1 ASP A 82 6.539 4.886 -3.582 1.00 50.12 O ATOM 1344 OD2 ASP A 82 7.470 5.095 -1.602 1.00 74.11 O ATOM 0 H ASP A 82 9.758 1.490 -3.611 1.00 22.31 H new ATOM 0 HA ASP A 82 7.391 1.929 -2.075 1.00 35.53 H new ATOM 0 HB2 ASP A 82 9.265 3.569 -2.413 1.00 54.44 H new ATOM 0 HB3 ASP A 82 8.807 3.710 -4.099 1.00 54.44 H new ATOM 1349 N GLU A 83 7.140 1.851 -5.370 1.00 21.32 N ATOM 1350 CA GLU A 83 6.191 1.714 -6.468 1.00 50.13 C ATOM 1351 C GLU A 83 5.445 0.386 -6.381 1.00 21.41 C ATOM 1352 O GLU A 83 4.225 0.335 -6.535 1.00 34.24 O ATOM 1353 CB GLU A 83 6.914 1.818 -7.813 1.00 23.24 C ATOM 1354 CG GLU A 83 7.330 3.234 -8.173 1.00 15.43 C ATOM 1355 CD GLU A 83 7.114 3.550 -9.640 1.00 12.51 C ATOM 1356 OE1 GLU A 83 6.103 3.082 -10.205 1.00 23.32 O ATOM 1357 OE2 GLU A 83 7.955 4.266 -10.223 1.00 73.22 O ATOM 0 H GLU A 83 8.119 1.853 -5.656 1.00 21.32 H new ATOM 0 HA GLU A 83 5.466 2.524 -6.390 1.00 50.13 H new ATOM 0 HB2 GLU A 83 7.800 1.183 -7.790 1.00 23.24 H new ATOM 0 HB3 GLU A 83 6.264 1.429 -8.596 1.00 23.24 H new ATOM 0 HG2 GLU A 83 6.764 3.940 -7.566 1.00 15.43 H new ATOM 0 HG3 GLU A 83 8.383 3.373 -7.926 1.00 15.43 H new ATOM 1364 N PHE A 84 6.188 -0.688 -6.133 1.00 61.15 N ATOM 1365 CA PHE A 84 5.599 -2.018 -6.027 1.00 54.40 C ATOM 1366 C PHE A 84 4.844 -2.174 -4.710 1.00 71.11 C ATOM 1367 O PHE A 84 4.120 -3.149 -4.508 1.00 22.33 O ATOM 1368 CB PHE A 84 6.684 -3.090 -6.136 1.00 63.31 C ATOM 1369 CG PHE A 84 7.115 -3.366 -7.548 1.00 42.44 C ATOM 1370 CD1 PHE A 84 7.728 -2.380 -8.304 1.00 44.44 C ATOM 1371 CD2 PHE A 84 6.906 -4.610 -8.120 1.00 64.32 C ATOM 1372 CE1 PHE A 84 8.126 -2.630 -9.604 1.00 45.32 C ATOM 1373 CE2 PHE A 84 7.303 -4.866 -9.419 1.00 73.42 C ATOM 1374 CZ PHE A 84 7.912 -3.875 -10.163 1.00 3.44 C ATOM 0 H PHE A 84 7.199 -0.663 -6.002 1.00 61.15 H new ATOM 0 HA PHE A 84 4.893 -2.142 -6.848 1.00 54.40 H new ATOM 0 HB2 PHE A 84 7.551 -2.778 -5.554 1.00 63.31 H new ATOM 0 HB3 PHE A 84 6.317 -4.014 -5.690 1.00 63.31 H new ATOM 0 HD1 PHE A 84 7.897 -1.404 -7.873 1.00 44.44 H new ATOM 0 HD2 PHE A 84 6.427 -5.389 -7.545 1.00 64.32 H new ATOM 0 HE1 PHE A 84 8.604 -1.853 -10.182 1.00 45.32 H new ATOM 0 HE2 PHE A 84 7.137 -5.841 -9.852 1.00 73.42 H new ATOM 0 HZ PHE A 84 8.220 -4.073 -11.179 1.00 3.44 H new ATOM 1384 N LYS A 85 5.019 -1.206 -3.817 1.00 34.45 N ATOM 1385 CA LYS A 85 4.355 -1.234 -2.519 1.00 12.14 C ATOM 1386 C LYS A 85 4.724 -2.496 -1.745 1.00 51.14 C ATOM 1387 O LYS A 85 3.862 -3.146 -1.153 1.00 61.33 O ATOM 1388 CB LYS A 85 2.837 -1.158 -2.697 1.00 72.13 C ATOM 1389 CG LYS A 85 2.324 0.248 -2.953 1.00 50.53 C ATOM 1390 CD LYS A 85 2.206 0.537 -4.440 1.00 74.24 C ATOM 1391 CE LYS A 85 0.912 1.268 -4.765 1.00 71.22 C ATOM 1392 NZ LYS A 85 -0.268 0.361 -4.702 1.00 50.54 N ATOM 0 H LYS A 85 5.615 -0.392 -3.968 1.00 34.45 H new ATOM 0 HA LYS A 85 4.692 -0.368 -1.949 1.00 12.14 H new ATOM 0 HB2 LYS A 85 2.545 -1.799 -3.528 1.00 72.13 H new ATOM 0 HB3 LYS A 85 2.355 -1.555 -1.804 1.00 72.13 H new ATOM 0 HG2 LYS A 85 1.350 0.373 -2.479 1.00 50.53 H new ATOM 0 HG3 LYS A 85 2.998 0.971 -2.493 1.00 50.53 H new ATOM 0 HD2 LYS A 85 3.056 1.138 -4.763 1.00 74.24 H new ATOM 0 HD3 LYS A 85 2.247 -0.399 -4.998 1.00 74.24 H new ATOM 0 HE2 LYS A 85 0.775 2.092 -4.065 1.00 71.22 H new ATOM 0 HE3 LYS A 85 0.982 1.705 -5.761 1.00 71.22 H new ATOM 0 HZ1 LYS A 85 -1.128 0.893 -4.946 1.00 50.54 H new ATOM 0 HZ2 LYS A 85 -0.141 -0.421 -5.376 1.00 50.54 H new ATOM 0 HZ3 LYS A 85 -0.360 -0.023 -3.740 1.00 50.54 H new ATOM 1406 N ILE A 86 6.009 -2.835 -1.754 1.00 34.01 N ATOM 1407 CA ILE A 86 6.491 -4.017 -1.051 1.00 73.41 C ATOM 1408 C ILE A 86 6.590 -3.763 0.449 1.00 3.21 C ATOM 1409 O ILE A 86 7.312 -2.877 0.907 1.00 43.20 O ATOM 1410 CB ILE A 86 7.868 -4.463 -1.577 1.00 51.33 C ATOM 1411 CG1 ILE A 86 7.885 -4.439 -3.107 1.00 65.51 C ATOM 1412 CG2 ILE A 86 8.209 -5.852 -1.059 1.00 51.03 C ATOM 1413 CD1 ILE A 86 9.224 -4.818 -3.702 1.00 33.32 C ATOM 0 H ILE A 86 6.734 -2.308 -2.240 1.00 34.01 H new ATOM 0 HA ILE A 86 5.767 -4.810 -1.235 1.00 73.41 H new ATOM 0 HB ILE A 86 8.623 -3.766 -1.213 1.00 51.33 H new ATOM 0 HG12 ILE A 86 7.123 -5.123 -3.482 1.00 65.51 H new ATOM 0 HG13 ILE A 86 7.614 -3.441 -3.450 1.00 65.51 H new ATOM 0 HG21 ILE A 86 9.185 -6.153 -1.440 1.00 51.03 H new ATOM 0 HG22 ILE A 86 8.233 -5.838 0.031 1.00 51.03 H new ATOM 0 HG23 ILE A 86 7.454 -6.562 -1.396 1.00 51.03 H new ATOM 0 HD11 ILE A 86 9.163 -4.780 -4.790 1.00 33.32 H new ATOM 0 HD12 ILE A 86 9.986 -4.120 -3.357 1.00 33.32 H new ATOM 0 HD13 ILE A 86 9.488 -5.828 -3.389 1.00 33.32 H new ATOM 1425 N PRO A 87 5.850 -4.559 1.235 1.00 53.42 N ATOM 1426 CA PRO A 87 5.839 -4.440 2.696 1.00 61.41 C ATOM 1427 C PRO A 87 7.157 -4.883 3.323 1.00 72.11 C ATOM 1428 O PRO A 87 7.990 -5.508 2.666 1.00 23.33 O ATOM 1429 CB PRO A 87 4.704 -5.376 3.119 1.00 24.53 C ATOM 1430 CG PRO A 87 4.604 -6.373 2.017 1.00 62.23 C ATOM 1431 CD PRO A 87 4.966 -5.635 0.757 1.00 21.43 C ATOM 0 HA PRO A 87 5.702 -3.408 3.021 1.00 61.41 H new ATOM 0 HB2 PRO A 87 4.923 -5.859 4.071 1.00 24.53 H new ATOM 0 HB3 PRO A 87 3.768 -4.831 3.246 1.00 24.53 H new ATOM 0 HG2 PRO A 87 5.280 -7.211 2.186 1.00 62.23 H new ATOM 0 HG3 PRO A 87 3.597 -6.784 1.953 1.00 62.23 H new ATOM 0 HD2 PRO A 87 5.473 -6.284 0.043 1.00 21.43 H new ATOM 0 HD3 PRO A 87 4.083 -5.237 0.256 1.00 21.43 H new ATOM 1439 N THR A 88 7.340 -4.556 4.598 1.00 13.44 N ATOM 1440 CA THR A 88 8.556 -4.919 5.314 1.00 43.21 C ATOM 1441 C THR A 88 8.408 -6.273 5.998 1.00 64.25 C ATOM 1442 O THR A 88 7.313 -6.830 6.064 1.00 35.11 O ATOM 1443 CB THR A 88 8.924 -3.860 6.371 1.00 74.31 C ATOM 1444 OG1 THR A 88 7.957 -2.804 6.362 1.00 3.54 O ATOM 1445 CG2 THR A 88 10.309 -3.290 6.107 1.00 51.22 C ATOM 0 H THR A 88 6.660 -4.040 5.157 1.00 13.44 H new ATOM 0 HA THR A 88 9.354 -4.974 4.573 1.00 43.21 H new ATOM 0 HB THR A 88 8.928 -4.340 7.349 1.00 74.31 H new ATOM 0 HG1 THR A 88 8.196 -2.135 7.037 1.00 3.54 H new ATOM 0 HG21 THR A 88 10.546 -2.545 6.866 1.00 51.22 H new ATOM 0 HG22 THR A 88 11.046 -4.092 6.143 1.00 51.22 H new ATOM 0 HG23 THR A 88 10.329 -2.824 5.122 1.00 51.22 H new ATOM 1453 N VAL A 89 9.519 -6.799 6.506 1.00 53.14 N ATOM 1454 CA VAL A 89 9.512 -8.088 7.186 1.00 21.14 C ATOM 1455 C VAL A 89 8.437 -8.134 8.266 1.00 74.01 C ATOM 1456 O VAL A 89 7.556 -8.993 8.242 1.00 51.03 O ATOM 1457 CB VAL A 89 10.880 -8.392 7.826 1.00 13.14 C ATOM 1458 CG1 VAL A 89 10.839 -9.719 8.568 1.00 65.41 C ATOM 1459 CG2 VAL A 89 11.973 -8.395 6.769 1.00 23.31 C ATOM 0 H VAL A 89 10.435 -6.352 6.459 1.00 53.14 H new ATOM 0 HA VAL A 89 9.296 -8.843 6.430 1.00 21.14 H new ATOM 0 HB VAL A 89 11.107 -7.607 8.548 1.00 13.14 H new ATOM 0 HG11 VAL A 89 11.814 -9.917 9.013 1.00 65.41 H new ATOM 0 HG12 VAL A 89 10.084 -9.674 9.353 1.00 65.41 H new ATOM 0 HG13 VAL A 89 10.590 -10.518 7.870 1.00 65.41 H new ATOM 0 HG21 VAL A 89 12.933 -8.611 7.239 1.00 23.31 H new ATOM 0 HG22 VAL A 89 11.754 -9.158 6.022 1.00 23.31 H new ATOM 0 HG23 VAL A 89 12.017 -7.418 6.288 1.00 23.31 H new ATOM 1469 N GLU A 90 8.515 -7.203 9.212 1.00 61.21 N ATOM 1470 CA GLU A 90 7.548 -7.138 10.301 1.00 73.31 C ATOM 1471 C GLU A 90 6.120 -7.147 9.762 1.00 61.13 C ATOM 1472 O GLU A 90 5.254 -7.849 10.283 1.00 60.34 O ATOM 1473 CB GLU A 90 7.779 -5.882 11.144 1.00 75.23 C ATOM 1474 CG GLU A 90 9.017 -5.957 12.021 1.00 33.22 C ATOM 1475 CD GLU A 90 9.198 -4.721 12.881 1.00 31.41 C ATOM 1476 OE1 GLU A 90 8.183 -4.186 13.372 1.00 13.53 O ATOM 1477 OE2 GLU A 90 10.356 -4.291 13.063 1.00 40.52 O ATOM 0 H GLU A 90 9.238 -6.484 9.246 1.00 61.21 H new ATOM 0 HA GLU A 90 7.687 -8.018 10.929 1.00 73.31 H new ATOM 0 HB2 GLU A 90 7.865 -5.021 10.481 1.00 75.23 H new ATOM 0 HB3 GLU A 90 6.907 -5.713 11.775 1.00 75.23 H new ATOM 0 HG2 GLU A 90 8.950 -6.835 12.663 1.00 33.22 H new ATOM 0 HG3 GLU A 90 9.897 -6.089 11.391 1.00 33.22 H new ATOM 1484 N GLN A 91 5.884 -6.361 8.716 1.00 61.50 N ATOM 1485 CA GLN A 91 4.562 -6.278 8.107 1.00 12.31 C ATOM 1486 C GLN A 91 4.135 -7.629 7.545 1.00 71.55 C ATOM 1487 O GLN A 91 3.007 -8.073 7.758 1.00 54.00 O ATOM 1488 CB GLN A 91 4.554 -5.225 6.998 1.00 53.33 C ATOM 1489 CG GLN A 91 5.117 -3.881 7.430 1.00 2.34 C ATOM 1490 CD GLN A 91 4.536 -3.400 8.746 1.00 71.45 C ATOM 1491 OE1 GLN A 91 3.324 -3.451 8.957 1.00 11.41 O ATOM 1492 NE2 GLN A 91 5.399 -2.931 9.638 1.00 5.05 N ATOM 0 H GLN A 91 6.590 -5.773 8.273 1.00 61.50 H new ATOM 0 HA GLN A 91 3.851 -5.987 8.880 1.00 12.31 H new ATOM 0 HB2 GLN A 91 5.132 -5.596 6.152 1.00 53.33 H new ATOM 0 HB3 GLN A 91 3.531 -5.085 6.649 1.00 53.33 H new ATOM 0 HG2 GLN A 91 6.200 -3.958 7.522 1.00 2.34 H new ATOM 0 HG3 GLN A 91 4.915 -3.141 6.656 1.00 2.34 H new ATOM 0 HE21 GLN A 91 6.395 -2.907 9.420 1.00 5.05 H new ATOM 0 HE22 GLN A 91 5.066 -2.594 10.541 1.00 5.05 H new ATOM 1501 N TRP A 92 5.043 -8.279 6.825 1.00 3.44 N ATOM 1502 CA TRP A 92 4.760 -9.580 6.232 1.00 61.35 C ATOM 1503 C TRP A 92 4.437 -10.611 7.308 1.00 43.03 C ATOM 1504 O TRP A 92 3.541 -11.438 7.141 1.00 72.24 O ATOM 1505 CB TRP A 92 5.951 -10.053 5.396 1.00 2.23 C ATOM 1506 CG TRP A 92 5.712 -11.363 4.708 1.00 11.42 C ATOM 1507 CD1 TRP A 92 4.701 -11.659 3.839 1.00 44.03 C ATOM 1508 CD2 TRP A 92 6.498 -12.553 4.834 1.00 15.22 C ATOM 1509 NE1 TRP A 92 4.811 -12.962 3.417 1.00 45.15 N ATOM 1510 CE2 TRP A 92 5.906 -13.532 4.012 1.00 54.40 C ATOM 1511 CE3 TRP A 92 7.644 -12.887 5.560 1.00 43.44 C ATOM 1512 CZ2 TRP A 92 6.422 -14.819 3.898 1.00 25.42 C ATOM 1513 CZ3 TRP A 92 8.156 -14.165 5.446 1.00 71.22 C ATOM 1514 CH2 TRP A 92 7.546 -15.119 4.620 1.00 50.22 C ATOM 0 H TRP A 92 5.981 -7.926 6.638 1.00 3.44 H new ATOM 0 HA TRP A 92 3.890 -9.474 5.584 1.00 61.35 H new ATOM 0 HB2 TRP A 92 6.184 -9.295 4.648 1.00 2.23 H new ATOM 0 HB3 TRP A 92 6.825 -10.144 6.041 1.00 2.23 H new ATOM 0 HD1 TRP A 92 3.929 -10.970 3.529 1.00 44.03 H new ATOM 0 HE1 TRP A 92 4.180 -13.429 2.766 1.00 45.15 H new ATOM 0 HE3 TRP A 92 8.121 -12.159 6.199 1.00 43.44 H new ATOM 0 HZ2 TRP A 92 5.953 -15.555 3.263 1.00 25.42 H new ATOM 0 HZ3 TRP A 92 9.041 -14.434 6.003 1.00 71.22 H new ATOM 0 HH2 TRP A 92 7.971 -16.110 4.552 1.00 50.22 H new ATOM 1525 N LYS A 93 5.173 -10.556 8.413 1.00 72.31 N ATOM 1526 CA LYS A 93 4.964 -11.484 9.518 1.00 22.11 C ATOM 1527 C LYS A 93 3.583 -11.293 10.136 1.00 54.32 C ATOM 1528 O LYS A 93 2.824 -12.250 10.292 1.00 41.22 O ATOM 1529 CB LYS A 93 6.043 -11.289 10.586 1.00 42.14 C ATOM 1530 CG LYS A 93 7.459 -11.404 10.048 1.00 71.04 C ATOM 1531 CD LYS A 93 8.002 -12.815 10.203 1.00 13.33 C ATOM 1532 CE LYS A 93 8.259 -13.465 8.853 1.00 64.03 C ATOM 1533 NZ LYS A 93 8.179 -14.950 8.928 1.00 64.11 N ATOM 0 H LYS A 93 5.920 -9.878 8.567 1.00 72.31 H new ATOM 0 HA LYS A 93 5.029 -12.498 9.124 1.00 22.11 H new ATOM 0 HB2 LYS A 93 5.916 -10.308 11.044 1.00 42.14 H new ATOM 0 HB3 LYS A 93 5.901 -12.029 11.373 1.00 42.14 H new ATOM 0 HG2 LYS A 93 7.473 -11.121 8.995 1.00 71.04 H new ATOM 0 HG3 LYS A 93 8.107 -10.704 10.575 1.00 71.04 H new ATOM 0 HD2 LYS A 93 8.928 -12.788 10.777 1.00 13.33 H new ATOM 0 HD3 LYS A 93 7.293 -13.419 10.769 1.00 13.33 H new ATOM 0 HE2 LYS A 93 7.531 -13.098 8.129 1.00 64.03 H new ATOM 0 HE3 LYS A 93 9.244 -13.172 8.491 1.00 64.03 H new ATOM 0 HZ1 LYS A 93 8.360 -15.355 7.988 1.00 64.11 H new ATOM 0 HZ2 LYS A 93 8.890 -15.302 9.600 1.00 64.11 H new ATOM 0 HZ3 LYS A 93 7.231 -15.231 9.249 1.00 64.11 H new ATOM 1547 N ASP A 94 3.262 -10.051 10.484 1.00 61.42 N ATOM 1548 CA ASP A 94 1.970 -9.734 11.082 1.00 65.41 C ATOM 1549 C ASP A 94 0.828 -10.136 10.154 1.00 65.13 C ATOM 1550 O ASP A 94 -0.201 -10.638 10.603 1.00 31.42 O ATOM 1551 CB ASP A 94 1.884 -8.241 11.400 1.00 45.22 C ATOM 1552 CG ASP A 94 0.594 -7.872 12.105 1.00 21.32 C ATOM 1553 OD1 ASP A 94 -0.480 -7.995 11.480 1.00 12.10 O ATOM 1554 OD2 ASP A 94 0.658 -7.462 13.283 1.00 65.22 O ATOM 0 H ASP A 94 3.879 -9.248 10.362 1.00 61.42 H new ATOM 0 HA ASP A 94 1.877 -10.301 12.009 1.00 65.41 H new ATOM 0 HB2 ASP A 94 2.730 -7.956 12.025 1.00 45.22 H new ATOM 0 HB3 ASP A 94 1.965 -7.670 10.475 1.00 45.22 H new ATOM 1559 N GLN A 95 1.019 -9.910 8.858 1.00 74.02 N ATOM 1560 CA GLN A 95 0.003 -10.247 7.867 1.00 22.01 C ATOM 1561 C GLN A 95 -0.259 -11.749 7.846 1.00 73.21 C ATOM 1562 O GLN A 95 -1.401 -12.193 7.972 1.00 71.23 O ATOM 1563 CB GLN A 95 0.438 -9.774 6.479 1.00 12.40 C ATOM 1564 CG GLN A 95 0.373 -8.265 6.303 1.00 74.13 C ATOM 1565 CD GLN A 95 1.423 -7.744 5.341 1.00 14.04 C ATOM 1566 OE1 GLN A 95 1.947 -8.489 4.513 1.00 24.24 O ATOM 1567 NE2 GLN A 95 1.735 -6.458 5.446 1.00 40.40 N ATOM 0 H GLN A 95 1.866 -9.496 8.470 1.00 74.02 H new ATOM 0 HA GLN A 95 -0.921 -9.739 8.143 1.00 22.01 H new ATOM 0 HB2 GLN A 95 1.458 -10.110 6.293 1.00 12.40 H new ATOM 0 HB3 GLN A 95 -0.195 -10.247 5.728 1.00 12.40 H new ATOM 0 HG2 GLN A 95 -0.617 -7.988 5.940 1.00 74.13 H new ATOM 0 HG3 GLN A 95 0.503 -7.784 7.272 1.00 74.13 H new ATOM 0 HE21 GLN A 95 1.275 -5.877 6.147 1.00 40.40 H new ATOM 0 HE22 GLN A 95 2.434 -6.051 4.825 1.00 40.40 H new ATOM 1576 N THR A 96 0.806 -12.529 7.685 1.00 15.04 N ATOM 1577 CA THR A 96 0.690 -13.981 7.646 1.00 24.30 C ATOM 1578 C THR A 96 0.154 -14.526 8.965 1.00 71.23 C ATOM 1579 O THR A 96 -0.645 -15.463 8.981 1.00 22.00 O ATOM 1580 CB THR A 96 2.047 -14.644 7.344 1.00 64.42 C ATOM 1581 OG1 THR A 96 3.108 -13.874 7.920 1.00 22.20 O ATOM 1582 CG2 THR A 96 2.265 -14.773 5.844 1.00 74.34 C ATOM 0 H THR A 96 1.758 -12.179 7.580 1.00 15.04 H new ATOM 0 HA THR A 96 -0.010 -14.221 6.846 1.00 24.30 H new ATOM 0 HB THR A 96 2.043 -15.642 7.782 1.00 64.42 H new ATOM 0 HG1 THR A 96 3.370 -13.163 7.299 1.00 22.20 H new ATOM 0 HG21 THR A 96 3.230 -15.244 5.656 1.00 74.34 H new ATOM 0 HG22 THR A 96 1.472 -15.384 5.412 1.00 74.34 H new ATOM 0 HG23 THR A 96 2.249 -13.783 5.388 1.00 74.34 H new ATOM 1941 N PHE B -7 13.030 -13.494 11.825 1.00 3.42 N ATOM 1942 CA PHE B -7 14.169 -13.291 10.937 1.00 2.44 C ATOM 1943 C PHE B -7 15.099 -12.211 11.483 1.00 14.44 C ATOM 1944 O PHE B -7 16.158 -12.510 12.035 1.00 1.41 O ATOM 1945 CB PHE B -7 13.689 -12.905 9.537 1.00 73.43 C ATOM 1946 CG PHE B -7 13.227 -14.077 8.718 1.00 32.02 C ATOM 1947 CD1 PHE B -7 14.142 -14.969 8.184 1.00 61.35 C ATOM 1948 CD2 PHE B -7 11.877 -14.286 8.484 1.00 63.40 C ATOM 1949 CE1 PHE B -7 13.720 -16.048 7.429 1.00 15.34 C ATOM 1950 CE2 PHE B -7 11.449 -15.363 7.731 1.00 72.31 C ATOM 1951 CZ PHE B -7 12.371 -16.246 7.204 1.00 43.42 C ATOM 0 H1 PHE B -7 12.412 -14.233 11.433 1.00 3.42 H new ATOM 0 H2 PHE B -7 13.369 -13.788 12.763 1.00 3.42 H new ATOM 0 H3 PHE B -7 12.496 -12.606 11.913 1.00 3.42 H new ATOM 0 HA PHE B -7 14.723 -14.228 10.878 1.00 2.44 H new ATOM 0 HB2 PHE B -7 12.872 -12.189 9.626 1.00 73.43 H new ATOM 0 HB3 PHE B -7 14.499 -12.400 9.010 1.00 73.43 H new ATOM 0 HD1 PHE B -7 15.197 -14.820 8.359 1.00 61.35 H new ATOM 0 HD2 PHE B -7 11.151 -13.600 8.895 1.00 63.40 H new ATOM 0 HE1 PHE B -7 14.444 -16.735 7.016 1.00 15.34 H new ATOM 0 HE2 PHE B -7 10.394 -15.514 7.555 1.00 72.31 H new ATOM 0 HZ PHE B -7 12.038 -17.089 6.617 1.00 43.42 H new ATOM 1961 N ILE B -6 14.694 -10.955 11.325 1.00 41.12 N ATOM 1962 CA ILE B -6 15.490 -9.831 11.802 1.00 54.41 C ATOM 1963 C ILE B -6 16.941 -9.954 11.352 1.00 25.43 C ATOM 1964 O ILE B -6 17.823 -10.345 12.118 1.00 43.51 O ATOM 1965 CB ILE B -6 15.447 -9.722 13.338 1.00 70.14 C ATOM 1966 CG1 ILE B -6 14.019 -9.933 13.846 1.00 24.41 C ATOM 1967 CG2 ILE B -6 15.981 -8.371 13.788 1.00 0.32 C ATOM 1968 CD1 ILE B -6 13.004 -9.024 13.191 1.00 52.13 C ATOM 0 H ILE B -6 13.820 -10.691 10.871 1.00 41.12 H new ATOM 0 HA ILE B -6 15.054 -8.930 11.370 1.00 54.41 H new ATOM 0 HB ILE B -6 16.082 -10.501 13.761 1.00 70.14 H new ATOM 0 HG12 ILE B -6 13.730 -10.970 13.674 1.00 24.41 H new ATOM 0 HG13 ILE B -6 13.998 -9.771 14.924 1.00 24.41 H new ATOM 0 HG21 ILE B -6 15.944 -8.309 14.876 1.00 0.32 H new ATOM 0 HG22 ILE B -6 17.012 -8.257 13.453 1.00 0.32 H new ATOM 0 HG23 ILE B -6 15.370 -7.577 13.359 1.00 0.32 H new ATOM 0 HD11 ILE B -6 12.015 -9.229 13.600 1.00 52.13 H new ATOM 0 HD12 ILE B -6 13.268 -7.984 13.385 1.00 52.13 H new ATOM 0 HD13 ILE B -6 12.997 -9.202 12.116 1.00 52.13 H new ATOM 1980 N PRO B -5 17.198 -9.613 10.081 1.00 63.01 N ATOM 1981 CA PRO B -5 18.543 -9.675 9.501 1.00 61.22 C ATOM 1982 C PRO B -5 19.473 -8.613 10.077 1.00 53.41 C ATOM 1983 O PRO B -5 19.666 -7.554 9.480 1.00 42.33 O ATOM 1984 CB PRO B -5 18.299 -9.421 8.011 1.00 30.41 C ATOM 1985 CG PRO B -5 17.029 -8.644 7.963 1.00 42.34 C ATOM 1986 CD PRO B -5 16.196 -9.139 9.112 1.00 72.41 C ATOM 0 HA PRO B -5 19.033 -10.626 9.711 1.00 61.22 H new ATOM 0 HB2 PRO B -5 19.122 -8.863 7.564 1.00 30.41 H new ATOM 0 HB3 PRO B -5 18.212 -10.357 7.459 1.00 30.41 H new ATOM 0 HG2 PRO B -5 17.222 -7.575 8.053 1.00 42.34 H new ATOM 0 HG3 PRO B -5 16.514 -8.796 7.014 1.00 42.34 H new ATOM 0 HD2 PRO B -5 15.577 -8.346 9.530 1.00 72.41 H new ATOM 0 HD3 PRO B -5 15.524 -9.940 8.805 1.00 72.41 H new ATOM 1994 N SER B -4 20.046 -8.902 11.241 1.00 61.35 N ATOM 1995 CA SER B -4 20.953 -7.970 11.899 1.00 43.41 C ATOM 1996 C SER B -4 22.396 -8.220 11.469 1.00 14.13 C ATOM 1997 O SER B -4 23.298 -8.299 12.303 1.00 43.33 O ATOM 1998 CB SER B -4 20.833 -8.095 13.419 1.00 71.21 C ATOM 1999 OG SER B -4 19.576 -8.636 13.788 1.00 62.11 O ATOM 0 H SER B -4 19.898 -9.775 11.748 1.00 61.35 H new ATOM 0 HA SER B -4 20.674 -6.959 11.602 1.00 43.41 H new ATOM 0 HB2 SER B -4 21.632 -8.731 13.799 1.00 71.21 H new ATOM 0 HB3 SER B -4 20.960 -7.115 13.879 1.00 71.21 H new ATOM 0 HG SER B -4 19.524 -8.708 14.764 1.00 62.11 H new ATOM 2005 N ARG B -3 22.604 -8.344 10.163 1.00 61.14 N ATOM 2006 CA ARG B -3 23.936 -8.587 9.621 1.00 53.20 C ATOM 2007 C ARG B -3 24.500 -7.323 8.979 1.00 41.21 C ATOM 2008 O ARG B -3 23.777 -6.372 8.681 1.00 33.11 O ATOM 2009 CB ARG B -3 23.893 -9.719 8.593 1.00 52.54 C ATOM 2010 CG ARG B -3 22.628 -10.558 8.663 1.00 33.03 C ATOM 2011 CD ARG B -3 22.535 -11.317 9.978 1.00 2.51 C ATOM 2012 NE ARG B -3 21.900 -12.621 9.814 1.00 72.23 N ATOM 2013 CZ ARG B -3 21.546 -13.400 10.830 1.00 10.43 C ATOM 2014 NH1 ARG B -3 21.764 -13.007 12.078 1.00 41.43 N ATOM 2015 NH2 ARG B -3 20.972 -14.574 10.600 1.00 2.32 N ATOM 0 H ARG B -3 21.868 -8.280 9.460 1.00 61.14 H new ATOM 0 HA ARG B -3 24.589 -8.878 10.444 1.00 53.20 H new ATOM 0 HB2 ARG B -3 23.982 -9.294 7.593 1.00 52.54 H new ATOM 0 HB3 ARG B -3 24.757 -10.367 8.742 1.00 52.54 H new ATOM 0 HG2 ARG B -3 21.756 -9.914 8.551 1.00 33.03 H new ATOM 0 HG3 ARG B -3 22.612 -11.264 7.832 1.00 33.03 H new ATOM 0 HD2 ARG B -3 23.535 -11.450 10.391 1.00 2.51 H new ATOM 0 HD3 ARG B -3 21.969 -10.726 10.698 1.00 2.51 H new ATOM 0 HE ARG B -3 21.718 -12.952 8.867 1.00 72.23 H new ATOM 0 HH11 ARG B -3 22.204 -12.105 12.259 1.00 41.43 H new ATOM 0 HH12 ARG B -3 21.491 -13.607 12.857 1.00 41.43 H new ATOM 0 HH21 ARG B -3 20.802 -14.880 9.642 1.00 2.32 H new ATOM 0 HH22 ARG B -3 20.701 -15.171 11.381 1.00 2.32 H new ATOM 2029 N PRO B -2 25.823 -7.310 8.761 1.00 44.05 N ATOM 2030 CA PRO B -2 26.514 -6.169 8.152 1.00 63.31 C ATOM 2031 C PRO B -2 26.170 -6.004 6.676 1.00 41.54 C ATOM 2032 O PRO B -2 26.576 -5.032 6.039 1.00 3.33 O ATOM 2033 CB PRO B -2 27.995 -6.520 8.320 1.00 73.54 C ATOM 2034 CG PRO B -2 28.024 -8.008 8.405 1.00 51.54 C ATOM 2035 CD PRO B -2 26.747 -8.408 9.090 1.00 21.34 C ATOM 0 HA PRO B -2 26.230 -5.225 8.617 1.00 63.31 H new ATOM 0 HB2 PRO B -2 28.585 -6.160 7.477 1.00 73.54 H new ATOM 0 HB3 PRO B -2 28.411 -6.064 9.218 1.00 73.54 H new ATOM 0 HG2 PRO B -2 28.091 -8.454 7.413 1.00 51.54 H new ATOM 0 HG3 PRO B -2 28.893 -8.350 8.968 1.00 51.54 H new ATOM 0 HD2 PRO B -2 26.378 -9.366 8.724 1.00 21.34 H new ATOM 0 HD3 PRO B -2 26.883 -8.509 10.167 1.00 21.34 H new ATOM 2043 N ALA B -1 25.419 -6.958 6.137 1.00 33.32 N ATOM 2044 CA ALA B -1 25.018 -6.916 4.736 1.00 30.23 C ATOM 2045 C ALA B -1 26.222 -6.695 3.827 1.00 1.43 C ATOM 2046 O ALA B -1 26.587 -5.564 3.505 1.00 5.13 O ATOM 2047 CB ALA B -1 23.981 -5.825 4.517 1.00 75.13 C ATOM 0 H ALA B -1 25.076 -7.770 6.650 1.00 33.32 H new ATOM 0 HA ALA B -1 24.576 -7.879 4.481 1.00 30.23 H new ATOM 0 HB1 ALA B -1 23.690 -5.805 3.467 1.00 75.13 H new ATOM 0 HB2 ALA B -1 23.104 -6.028 5.132 1.00 75.13 H new ATOM 0 HB3 ALA B -1 24.404 -4.860 4.795 1.00 75.13 H new ATOM 2053 N PRO B 0 26.855 -7.798 3.403 1.00 24.31 N ATOM 2054 CA PRO B 0 28.028 -7.750 2.525 1.00 3.12 C ATOM 2055 C PRO B 0 27.678 -7.290 1.114 1.00 32.12 C ATOM 2056 O PRO B 0 26.754 -7.813 0.491 1.00 32.20 O ATOM 2057 CB PRO B 0 28.519 -9.200 2.509 1.00 41.32 C ATOM 2058 CG PRO B 0 27.309 -10.013 2.815 1.00 0.22 C ATOM 2059 CD PRO B 0 26.475 -9.179 3.747 1.00 13.54 C ATOM 0 HA PRO B 0 28.773 -7.037 2.879 1.00 3.12 H new ATOM 0 HB2 PRO B 0 28.939 -9.465 1.539 1.00 41.32 H new ATOM 0 HB3 PRO B 0 29.302 -9.361 3.250 1.00 41.32 H new ATOM 0 HG2 PRO B 0 26.758 -10.250 1.905 1.00 0.22 H new ATOM 0 HG3 PRO B 0 27.583 -10.961 3.279 1.00 0.22 H new ATOM 0 HD2 PRO B 0 25.409 -9.352 3.596 1.00 13.54 H new ATOM 0 HD3 PRO B 0 26.690 -9.407 4.791 1.00 13.54 H new ATOM 2067 N LYS B 1 28.422 -6.309 0.615 1.00 55.21 N ATOM 2068 CA LYS B 1 28.191 -5.779 -0.724 1.00 2.22 C ATOM 2069 C LYS B 1 28.602 -6.791 -1.788 1.00 23.40 C ATOM 2070 O LYS B 1 29.371 -7.719 -1.533 1.00 14.03 O ATOM 2071 CB LYS B 1 28.967 -4.474 -0.919 1.00 25.52 C ATOM 2072 CG LYS B 1 28.217 -3.243 -0.441 1.00 63.15 C ATOM 2073 CD LYS B 1 29.001 -1.971 -0.718 1.00 54.23 C ATOM 2074 CE LYS B 1 28.402 -0.778 0.012 1.00 44.04 C ATOM 2075 NZ LYS B 1 29.394 0.319 0.187 1.00 52.21 N ATOM 0 H LYS B 1 29.190 -5.865 1.118 1.00 55.21 H new ATOM 0 HA LYS B 1 27.125 -5.580 -0.830 1.00 2.22 H new ATOM 0 HB2 LYS B 1 29.915 -4.542 -0.385 1.00 25.52 H new ATOM 0 HB3 LYS B 1 29.204 -4.357 -1.976 1.00 25.52 H new ATOM 0 HG2 LYS B 1 27.248 -3.190 -0.938 1.00 63.15 H new ATOM 0 HG3 LYS B 1 28.023 -3.326 0.628 1.00 63.15 H new ATOM 0 HD2 LYS B 1 30.037 -2.106 -0.408 1.00 54.23 H new ATOM 0 HD3 LYS B 1 29.012 -1.775 -1.790 1.00 54.23 H new ATOM 0 HE2 LYS B 1 27.543 -0.405 -0.545 1.00 44.04 H new ATOM 0 HE3 LYS B 1 28.036 -1.096 0.988 1.00 44.04 H new ATOM 0 HZ1 LYS B 1 28.948 1.114 0.688 1.00 52.21 H new ATOM 0 HZ2 LYS B 1 30.203 -0.029 0.740 1.00 52.21 H new ATOM 0 HZ3 LYS B 1 29.725 0.640 -0.745 1.00 52.21 H new ATOM 2089 N PRO B 2 28.081 -6.611 -3.011 1.00 2.33 N ATOM 2090 CA PRO B 2 28.382 -7.498 -4.138 1.00 40.33 C ATOM 2091 C PRO B 2 29.821 -7.352 -4.623 1.00 15.12 C ATOM 2092 O PRO B 2 30.527 -6.407 -4.271 1.00 54.41 O ATOM 2093 CB PRO B 2 27.404 -7.038 -5.222 1.00 74.00 C ATOM 2094 CG PRO B 2 27.107 -5.617 -4.887 1.00 20.14 C ATOM 2095 CD PRO B 2 27.159 -5.526 -3.387 1.00 34.35 C ATOM 0 HA PRO B 2 28.278 -8.549 -3.868 1.00 40.33 H new ATOM 0 HB2 PRO B 2 27.844 -7.127 -6.215 1.00 74.00 H new ATOM 0 HB3 PRO B 2 26.497 -7.643 -5.220 1.00 74.00 H new ATOM 0 HG2 PRO B 2 27.836 -4.948 -5.344 1.00 20.14 H new ATOM 0 HG3 PRO B 2 26.126 -5.324 -5.262 1.00 20.14 H new ATOM 0 HD2 PRO B 2 27.526 -4.554 -3.056 1.00 34.35 H new ATOM 0 HD3 PRO B 2 26.174 -5.664 -2.942 1.00 34.35 H new ATOM 2103 N PRO B 3 30.267 -8.309 -5.450 1.00 1.31 N ATOM 2104 CA PRO B 3 31.625 -8.308 -6.001 1.00 44.12 C ATOM 2105 C PRO B 3 31.837 -7.192 -7.019 1.00 63.40 C ATOM 2106 O PRO B 3 31.208 -7.176 -8.077 1.00 32.53 O ATOM 2107 CB PRO B 3 31.734 -9.677 -6.678 1.00 5.24 C ATOM 2108 CG PRO B 3 30.330 -10.051 -7.005 1.00 10.34 C ATOM 2109 CD PRO B 3 29.480 -9.465 -5.911 1.00 42.21 C ATOM 0 HA PRO B 3 32.377 -8.137 -5.231 1.00 44.12 H new ATOM 0 HB2 PRO B 3 32.350 -9.627 -7.576 1.00 5.24 H new ATOM 0 HB3 PRO B 3 32.195 -10.410 -6.016 1.00 5.24 H new ATOM 0 HG2 PRO B 3 30.038 -9.658 -7.979 1.00 10.34 H new ATOM 0 HG3 PRO B 3 30.215 -11.134 -7.051 1.00 10.34 H new ATOM 0 HD2 PRO B 3 28.501 -9.162 -6.282 1.00 42.21 H new ATOM 0 HD3 PRO B 3 29.309 -10.181 -5.107 1.00 42.21 H new