USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 981 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 20 ASN : amide:sc= 1.45 K(o=-6.7,f=-1.6) USER MOD Set 1.2: A 24 ASN : amide:sc= -8.19! K(o=-6.7!,f=1.4) USER MOD Set 1.3: A 30 THR OG1 : rot 82:sc= 0.0232 USER MOD Set 2.1: A 12 GLN : amide:sc= 0.0433 K(o=1.7,f=-0.93) USER MOD Set 2.2: A 104 LYS NZ :NH3+ -177:sc= 1.67 (180deg=0.822) USER MOD Single : A 5 LYS NZ :NH3+ 144:sc= -2.08! (180deg=-2.8!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 19:sc= -1.03 USER MOD Single : A 29 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.2!) USER MOD Single : A 32 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.4) USER MOD Single : A 35 ASN : amide:sc= -4.88! C(o=-4.9!,f=-5.7!) USER MOD Single : A 38 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.28) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 160:sc= -2.98 (180deg=-3.83!) USER MOD Single : A 56 LYS NZ :NH3+ -121:sc= 0.792 (180deg=-0.0638) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= 1.29 (180deg=1.03) USER MOD Single : A 69 MET CE :methyl -165:sc= -2.45 (180deg=-3.25) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.555 K(o=0.55,f=-0.13) USER MOD Single : A 81 MET CE :methyl 166:sc= -2.06 (180deg=-2.69) USER MOD Single : A 82 THR OG1 : rot -57:sc= 0.0603 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -134:sc= -2.85! (180deg=-6.03!) USER MOD Single : A 91 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1) USER MOD Single : A 93 SER OG : rot 60:sc= -0.19 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 34:sc= 0.329 USER MOD Single : A 101 HIS : no HE2:sc= 0.029 X(o=0.029,f=-0.22) USER MOD Single : A 116 LYS NZ :NH3+ -157:sc= 1.1 (180deg=0.867) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 5.671 -11.761 -1.023 1.00 0.63 N ATOM 52 CA GLU A 4 5.742 -10.351 -0.705 1.00 0.52 C ATOM 53 C GLU A 4 5.229 -9.533 -1.881 1.00 0.40 C ATOM 54 O GLU A 4 5.981 -9.153 -2.775 1.00 0.47 O ATOM 55 CB GLU A 4 7.173 -9.932 -0.359 1.00 0.62 C ATOM 56 CG GLU A 4 7.806 -10.686 0.802 1.00 1.08 C ATOM 57 CD GLU A 4 8.377 -12.039 0.409 1.00 1.31 C ATOM 58 OE1 GLU A 4 7.620 -13.030 0.355 1.00 1.90 O ATOM 59 OE2 GLU A 4 9.596 -12.121 0.165 1.00 1.51 O ATOM 0 HA GLU A 4 5.117 -10.165 0.168 1.00 0.52 H new ATOM 0 HB2 GLU A 4 7.798 -10.066 -1.242 1.00 0.62 H new ATOM 0 HB3 GLU A 4 7.176 -8.867 -0.125 1.00 0.62 H new ATOM 0 HG2 GLU A 4 8.601 -10.076 1.230 1.00 1.08 H new ATOM 0 HG3 GLU A 4 7.058 -10.829 1.582 1.00 1.08 H new ATOM 66 N LYS A 5 3.930 -9.315 -1.893 1.00 0.31 N ATOM 67 CA LYS A 5 3.278 -8.603 -2.972 1.00 0.26 C ATOM 68 C LYS A 5 2.619 -7.346 -2.440 1.00 0.21 C ATOM 69 O LYS A 5 2.319 -7.258 -1.254 1.00 0.21 O ATOM 70 CB LYS A 5 2.239 -9.498 -3.611 1.00 0.29 C ATOM 71 CG LYS A 5 1.742 -9.006 -4.950 1.00 0.34 C ATOM 72 CD LYS A 5 0.233 -8.876 -4.949 1.00 0.39 C ATOM 73 CE LYS A 5 -0.411 -10.244 -4.961 1.00 0.39 C ATOM 74 NZ LYS A 5 -0.156 -10.951 -6.244 1.00 0.56 N ATOM 0 H LYS A 5 3.297 -9.626 -1.156 1.00 0.31 H new ATOM 0 HA LYS A 5 4.021 -8.322 -3.718 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.661 -10.495 -3.736 1.00 0.29 H new ATOM 0 HB3 LYS A 5 1.391 -9.594 -2.933 1.00 0.29 H new ATOM 0 HG2 LYS A 5 2.194 -8.041 -5.179 1.00 0.34 H new ATOM 0 HG3 LYS A 5 2.051 -9.697 -5.734 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.091 -8.322 -4.068 1.00 0.39 H new ATOM 0 HD3 LYS A 5 -0.090 -8.307 -5.820 1.00 0.39 H new ATOM 0 HE2 LYS A 5 -0.024 -10.838 -4.133 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.485 -10.144 -4.806 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.032 -11.967 -6.062 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 -0.963 -10.810 -6.884 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 0.706 -10.570 -6.685 1.00 0.56 H new ATOM 88 N ILE A 6 2.396 -6.387 -3.316 1.00 0.21 N ATOM 89 CA ILE A 6 1.795 -5.126 -2.923 1.00 0.20 C ATOM 90 C ILE A 6 0.518 -4.850 -3.714 1.00 0.23 C ATOM 91 O ILE A 6 0.485 -5.027 -4.923 1.00 0.40 O ATOM 92 CB ILE A 6 2.796 -3.970 -3.112 1.00 0.20 C ATOM 93 CG1 ILE A 6 3.964 -4.123 -2.129 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.108 -2.621 -2.945 1.00 0.21 C ATOM 95 CD1 ILE A 6 5.006 -3.034 -2.246 1.00 0.27 C ATOM 0 H ILE A 6 2.622 -6.456 -4.308 1.00 0.21 H new ATOM 0 HA ILE A 6 1.531 -5.198 -1.868 1.00 0.20 H new ATOM 0 HB ILE A 6 3.191 -4.011 -4.127 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.572 -4.130 -1.112 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.441 -5.089 -2.294 1.00 0.22 H new ATOM 0 HG21 ILE A 6 2.836 -1.822 -3.083 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.316 -2.522 -3.687 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.679 -2.552 -1.945 1.00 0.21 H new ATOM 0 HD11 ILE A 6 5.799 -3.210 -1.520 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.427 -3.040 -3.252 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.544 -2.066 -2.051 1.00 0.27 H new ATOM 107 N LEU A 7 -0.531 -4.438 -3.018 1.00 0.11 N ATOM 108 CA LEU A 7 -1.792 -4.072 -3.658 1.00 0.11 C ATOM 109 C LEU A 7 -1.925 -2.561 -3.717 1.00 0.14 C ATOM 110 O LEU A 7 -1.534 -1.865 -2.788 1.00 0.29 O ATOM 111 CB LEU A 7 -2.969 -4.672 -2.890 1.00 0.11 C ATOM 112 CG LEU A 7 -3.487 -5.986 -3.449 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.584 -6.528 -2.569 1.00 0.15 C ATOM 114 CD2 LEU A 7 -3.994 -5.787 -4.864 1.00 0.17 C ATOM 0 H LEU A 7 -0.536 -4.347 -2.002 1.00 0.11 H new ATOM 0 HA LEU A 7 -1.798 -4.469 -4.673 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.668 -4.827 -1.854 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.785 -3.950 -2.880 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.670 -6.707 -3.470 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.948 -7.470 -2.979 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -4.195 -6.696 -1.565 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.404 -5.811 -2.526 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.363 -6.735 -5.255 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -4.803 -5.056 -4.861 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.181 -5.426 -5.494 1.00 0.17 H new ATOM 126 N ILE A 8 -2.458 -2.056 -4.814 1.00 0.08 N ATOM 127 CA ILE A 8 -2.579 -0.620 -5.018 1.00 0.08 C ATOM 128 C ILE A 8 -3.983 -0.245 -5.478 1.00 0.08 C ATOM 129 O ILE A 8 -4.400 -0.597 -6.583 1.00 0.10 O ATOM 130 CB ILE A 8 -1.557 -0.150 -6.065 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.141 -0.483 -5.600 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.702 1.342 -6.319 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.840 -0.612 -6.735 1.00 0.12 C ATOM 0 H ILE A 8 -2.817 -2.621 -5.583 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.384 -0.128 -4.065 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.748 -0.673 -7.002 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.203 0.294 -4.918 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.160 -1.416 -5.037 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -0.970 1.657 -7.063 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.707 1.553 -6.686 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.533 1.887 -5.390 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.827 -0.849 -6.338 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.518 -1.409 -7.406 1.00 0.12 H new ATOM 0 HD13 ILE A 8 0.886 0.328 -7.284 1.00 0.12 H new ATOM 145 N VAL A 9 -4.714 0.460 -4.634 1.00 0.09 N ATOM 146 CA VAL A 9 -6.059 0.881 -4.986 1.00 0.10 C ATOM 147 C VAL A 9 -6.054 2.230 -5.707 1.00 0.14 C ATOM 148 O VAL A 9 -5.722 3.259 -5.120 1.00 0.17 O ATOM 149 CB VAL A 9 -6.962 0.947 -3.740 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.314 1.564 -4.072 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.139 -0.448 -3.164 1.00 0.11 C ATOM 0 H VAL A 9 -4.403 0.752 -3.707 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.463 0.133 -5.669 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.483 1.584 -2.997 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -8.929 1.597 -3.173 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.169 2.576 -4.450 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.813 0.961 -4.831 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.778 -0.399 -2.282 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.600 -1.094 -3.911 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.166 -0.852 -2.885 1.00 0.11 H new ATOM 161 N ASP A 10 -6.405 2.197 -6.989 1.00 0.17 N ATOM 162 CA ASP A 10 -6.542 3.393 -7.808 1.00 0.21 C ATOM 163 C ASP A 10 -7.618 3.203 -8.876 1.00 0.24 C ATOM 164 O ASP A 10 -7.728 2.136 -9.479 1.00 0.38 O ATOM 165 CB ASP A 10 -5.221 3.739 -8.483 1.00 0.23 C ATOM 166 CG ASP A 10 -5.364 4.866 -9.491 1.00 0.76 C ATOM 167 OD1 ASP A 10 -6.052 5.856 -9.174 1.00 0.78 O ATOM 168 OD2 ASP A 10 -4.775 4.780 -10.587 1.00 1.27 O ATOM 0 H ASP A 10 -6.604 1.332 -7.491 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.834 4.210 -7.149 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.492 4.024 -7.724 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -4.830 2.854 -8.985 1.00 0.23 H new ATOM 173 N ASP A 11 -8.393 4.246 -9.120 1.00 0.29 N ATOM 174 CA ASP A 11 -9.445 4.209 -10.129 1.00 0.30 C ATOM 175 C ASP A 11 -8.968 4.874 -11.411 1.00 0.28 C ATOM 176 O ASP A 11 -9.442 4.565 -12.503 1.00 0.32 O ATOM 177 CB ASP A 11 -10.698 4.915 -9.621 1.00 0.39 C ATOM 178 CG ASP A 11 -11.819 4.932 -10.643 1.00 0.79 C ATOM 179 OD1 ASP A 11 -12.548 3.926 -10.747 1.00 0.76 O ATOM 180 OD2 ASP A 11 -11.978 5.953 -11.341 1.00 1.40 O ATOM 0 H ASP A 11 -8.314 5.137 -8.630 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.686 3.166 -10.334 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -11.046 4.420 -8.715 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -10.446 5.940 -9.347 1.00 0.39 H new ATOM 185 N GLN A 12 -7.986 5.756 -11.268 1.00 0.30 N ATOM 186 CA GLN A 12 -7.515 6.568 -12.381 1.00 0.35 C ATOM 187 C GLN A 12 -6.686 5.728 -13.348 1.00 0.31 C ATOM 188 O GLN A 12 -6.356 6.166 -14.452 1.00 0.38 O ATOM 189 CB GLN A 12 -6.679 7.726 -11.857 1.00 0.45 C ATOM 190 CG GLN A 12 -7.391 8.517 -10.778 1.00 0.59 C ATOM 191 CD GLN A 12 -6.505 9.543 -10.101 1.00 1.07 C ATOM 192 OE1 GLN A 12 -6.647 9.813 -8.906 1.00 1.90 O ATOM 193 NE2 GLN A 12 -5.602 10.141 -10.860 1.00 1.77 N ATOM 0 H GLN A 12 -7.499 5.927 -10.388 1.00 0.30 H new ATOM 0 HA GLN A 12 -8.381 6.959 -12.916 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.740 7.341 -11.460 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -6.427 8.391 -12.683 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -8.251 9.023 -11.216 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -7.776 7.828 -10.027 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -5.516 9.889 -11.845 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -4.992 10.854 -10.461 1.00 1.77 H new ATOM 202 N TYR A 13 -6.322 4.536 -12.879 1.00 0.24 N ATOM 203 CA TYR A 13 -5.530 3.560 -13.626 1.00 0.23 C ATOM 204 C TYR A 13 -4.056 3.953 -13.675 1.00 0.22 C ATOM 205 O TYR A 13 -3.179 3.090 -13.657 1.00 0.29 O ATOM 206 CB TYR A 13 -6.070 3.332 -15.042 1.00 0.30 C ATOM 207 CG TYR A 13 -5.265 2.324 -15.837 1.00 0.42 C ATOM 208 CD1 TYR A 13 -5.056 1.047 -15.340 1.00 0.56 C ATOM 209 CD2 TYR A 13 -4.706 2.645 -17.068 1.00 0.53 C ATOM 210 CE1 TYR A 13 -4.318 0.116 -16.037 1.00 0.72 C ATOM 211 CE2 TYR A 13 -3.961 1.716 -17.777 1.00 0.67 C ATOM 212 CZ TYR A 13 -3.774 0.451 -17.254 1.00 0.76 C ATOM 213 OH TYR A 13 -3.035 -0.483 -17.944 1.00 0.92 O ATOM 0 H TYR A 13 -6.576 4.214 -11.945 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.617 2.617 -13.085 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -7.104 2.992 -14.978 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -6.079 4.282 -15.577 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -5.481 0.776 -14.385 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -4.854 3.633 -17.478 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -4.167 -0.873 -15.629 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -3.530 1.979 -18.732 1.00 0.67 H new ATOM 0 HH TYR A 13 -2.720 -0.094 -18.786 1.00 0.92 H new ATOM 223 N GLY A 14 -3.777 5.240 -13.715 1.00 0.22 N ATOM 224 CA GLY A 14 -2.404 5.678 -13.793 1.00 0.25 C ATOM 225 C GLY A 14 -1.700 5.630 -12.461 1.00 0.23 C ATOM 226 O GLY A 14 -0.555 5.194 -12.392 1.00 0.22 O ATOM 0 H GLY A 14 -4.471 5.987 -13.695 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.867 5.052 -14.505 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.374 6.697 -14.179 1.00 0.25 H new ATOM 230 N ILE A 15 -2.386 6.032 -11.399 1.00 0.24 N ATOM 231 CA ILE A 15 -1.784 6.051 -10.070 1.00 0.23 C ATOM 232 C ILE A 15 -1.381 4.643 -9.675 1.00 0.20 C ATOM 233 O ILE A 15 -0.304 4.425 -9.106 1.00 0.19 O ATOM 234 CB ILE A 15 -2.752 6.586 -8.995 1.00 0.24 C ATOM 235 CG1 ILE A 15 -3.453 7.861 -9.478 1.00 0.28 C ATOM 236 CG2 ILE A 15 -2.016 6.845 -7.686 1.00 0.25 C ATOM 237 CD1 ILE A 15 -2.511 9.013 -9.767 1.00 0.29 C ATOM 0 H ILE A 15 -3.355 6.348 -11.430 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.920 6.714 -10.122 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.512 5.825 -8.817 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -4.018 7.632 -10.382 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -4.173 8.175 -8.723 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.718 7.222 -6.942 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.572 5.916 -7.328 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -1.231 7.583 -7.850 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -3.085 9.877 -10.103 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -1.964 9.272 -8.861 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.806 8.720 -10.545 1.00 0.29 H new ATOM 249 N ARG A 16 -2.243 3.680 -10.001 1.00 0.19 N ATOM 250 CA ARG A 16 -1.961 2.301 -9.687 1.00 0.17 C ATOM 251 C ARG A 16 -0.721 1.847 -10.423 1.00 0.16 C ATOM 252 O ARG A 16 0.113 1.154 -9.861 1.00 0.16 O ATOM 253 CB ARG A 16 -3.140 1.379 -10.010 1.00 0.19 C ATOM 254 CG ARG A 16 -4.105 1.911 -11.040 1.00 0.24 C ATOM 255 CD ARG A 16 -5.420 1.154 -10.987 1.00 0.38 C ATOM 256 NE ARG A 16 -5.772 0.469 -12.232 1.00 0.76 N ATOM 257 CZ ARG A 16 -7.035 0.305 -12.646 1.00 0.67 C ATOM 258 NH1 ARG A 16 -8.035 0.853 -11.965 1.00 0.95 N ATOM 259 NH2 ARG A 16 -7.304 -0.408 -13.733 1.00 1.51 N ATOM 0 H ARG A 16 -3.131 3.838 -10.478 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.790 2.238 -8.612 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.749 0.424 -10.360 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.689 1.180 -9.089 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.283 2.972 -10.864 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.668 1.822 -12.035 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -5.371 0.419 -10.183 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -6.217 1.852 -10.732 1.00 0.38 H new ATOM 0 HE ARG A 16 -5.019 0.099 -12.812 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -7.841 1.399 -11.126 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -8.997 0.727 -12.281 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -6.545 -0.837 -14.262 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -8.270 -0.526 -14.039 1.00 1.51 H new ATOM 273 N ILE A 17 -0.591 2.271 -11.672 1.00 0.17 N ATOM 274 CA ILE A 17 0.571 1.929 -12.474 1.00 0.18 C ATOM 275 C ILE A 17 1.814 2.632 -11.935 1.00 0.19 C ATOM 276 O ILE A 17 2.901 2.065 -11.949 1.00 0.19 O ATOM 277 CB ILE A 17 0.360 2.282 -13.966 1.00 0.21 C ATOM 278 CG1 ILE A 17 -0.800 1.467 -14.548 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.632 2.037 -14.770 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.619 -0.031 -14.420 1.00 0.23 C ATOM 0 H ILE A 17 -1.278 2.853 -12.151 1.00 0.17 H new ATOM 0 HA ILE A 17 0.713 0.851 -12.405 1.00 0.18 H new ATOM 0 HB ILE A 17 0.114 3.342 -14.032 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.723 1.756 -14.046 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -0.917 1.721 -15.602 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.457 2.293 -15.815 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.437 2.656 -14.375 1.00 0.28 H new ATOM 0 HG23 ILE A 17 1.913 0.986 -14.696 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.480 -0.540 -14.854 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.286 -0.335 -14.947 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.533 -0.298 -13.367 1.00 0.23 H new ATOM 292 N LEU A 18 1.643 3.854 -11.434 1.00 0.20 N ATOM 293 CA LEU A 18 2.759 4.612 -10.875 1.00 0.21 C ATOM 294 C LEU A 18 3.389 3.859 -9.715 1.00 0.18 C ATOM 295 O LEU A 18 4.608 3.717 -9.639 1.00 0.18 O ATOM 296 CB LEU A 18 2.308 5.993 -10.391 1.00 0.23 C ATOM 297 CG LEU A 18 1.629 6.866 -11.444 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.248 8.215 -10.854 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.529 7.045 -12.660 1.00 0.29 C ATOM 0 H LEU A 18 0.746 4.338 -11.404 1.00 0.20 H new ATOM 0 HA LEU A 18 3.494 4.741 -11.670 1.00 0.21 H new ATOM 0 HB2 LEU A 18 1.621 5.860 -9.556 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.177 6.526 -10.007 1.00 0.23 H new ATOM 0 HG LEU A 18 0.718 6.363 -11.768 1.00 0.26 H new ATOM 0 HD11 LEU A 18 0.765 8.823 -11.619 1.00 0.31 H new ATOM 0 HD12 LEU A 18 0.561 8.067 -10.021 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.145 8.723 -10.499 1.00 0.31 H new ATOM 0 HD21 LEU A 18 2.025 7.670 -13.397 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.461 7.522 -12.356 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.746 6.071 -13.098 1.00 0.29 H new ATOM 311 N LEU A 19 2.552 3.351 -8.820 1.00 0.16 N ATOM 312 CA LEU A 19 3.050 2.585 -7.688 1.00 0.13 C ATOM 313 C LEU A 19 3.447 1.194 -8.144 1.00 0.12 C ATOM 314 O LEU A 19 4.403 0.622 -7.639 1.00 0.11 O ATOM 315 CB LEU A 19 2.009 2.482 -6.573 1.00 0.14 C ATOM 316 CG LEU A 19 1.413 3.808 -6.103 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.560 3.602 -4.862 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.508 4.831 -5.838 1.00 0.17 C ATOM 0 H LEU A 19 1.538 3.454 -8.855 1.00 0.16 H new ATOM 0 HA LEU A 19 3.919 3.108 -7.289 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.197 1.841 -6.916 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.467 1.986 -5.717 1.00 0.14 H new ATOM 0 HG LEU A 19 0.775 4.193 -6.898 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.145 4.558 -4.543 1.00 0.14 H new ATOM 0 HD12 LEU A 19 -0.252 2.911 -5.089 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.175 3.189 -4.062 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.059 5.767 -5.505 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.178 4.455 -5.065 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.072 5.006 -6.754 1.00 0.17 H new ATOM 330 N ASN A 20 2.713 0.666 -9.114 1.00 0.12 N ATOM 331 CA ASN A 20 2.996 -0.655 -9.661 1.00 0.12 C ATOM 332 C ASN A 20 4.419 -0.700 -10.205 1.00 0.13 C ATOM 333 O ASN A 20 5.208 -1.569 -9.838 1.00 0.14 O ATOM 334 CB ASN A 20 1.992 -1.001 -10.775 1.00 0.15 C ATOM 335 CG ASN A 20 0.937 -2.000 -10.333 1.00 0.17 C ATOM 336 OD1 ASN A 20 1.098 -3.205 -10.511 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.147 -1.510 -9.751 1.00 0.19 N ATOM 0 H ASN A 20 1.913 1.134 -9.540 1.00 0.12 H new ATOM 0 HA ASN A 20 2.898 -1.392 -8.864 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.501 -0.088 -11.111 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.532 -1.406 -11.631 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -0.884 -2.139 -9.433 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.245 -0.503 -9.621 1.00 0.19 H new ATOM 344 N GLU A 21 4.764 0.278 -11.039 1.00 0.15 N ATOM 345 CA GLU A 21 6.070 0.300 -11.680 1.00 0.17 C ATOM 346 C GLU A 21 7.183 0.671 -10.702 1.00 0.17 C ATOM 347 O GLU A 21 8.300 0.206 -10.849 1.00 0.23 O ATOM 348 CB GLU A 21 6.091 1.264 -12.869 1.00 0.19 C ATOM 349 CG GLU A 21 5.868 2.717 -12.490 1.00 0.21 C ATOM 350 CD GLU A 21 6.227 3.668 -13.608 1.00 0.27 C ATOM 351 OE1 GLU A 21 5.418 3.818 -14.552 1.00 0.33 O ATOM 352 OE2 GLU A 21 7.320 4.271 -13.557 1.00 0.40 O ATOM 0 H GLU A 21 4.158 1.061 -11.284 1.00 0.15 H new ATOM 0 HA GLU A 21 6.253 -0.713 -12.039 1.00 0.17 H new ATOM 0 HB2 GLU A 21 7.050 1.175 -13.379 1.00 0.19 H new ATOM 0 HB3 GLU A 21 5.323 0.963 -13.581 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.823 2.861 -12.216 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.464 2.955 -11.609 1.00 0.21 H new ATOM 359 N VAL A 22 6.879 1.504 -9.714 1.00 0.15 N ATOM 360 CA VAL A 22 7.891 1.968 -8.761 1.00 0.17 C ATOM 361 C VAL A 22 8.118 0.973 -7.638 1.00 0.16 C ATOM 362 O VAL A 22 9.239 0.811 -7.165 1.00 0.20 O ATOM 363 CB VAL A 22 7.525 3.356 -8.192 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.193 3.594 -6.854 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.940 4.439 -9.163 1.00 0.21 C ATOM 0 H VAL A 22 5.943 1.874 -9.548 1.00 0.15 H new ATOM 0 HA VAL A 22 8.827 2.056 -9.312 1.00 0.17 H new ATOM 0 HB VAL A 22 6.445 3.385 -8.048 1.00 0.18 H new ATOM 0 HG11 VAL A 22 7.916 4.579 -6.479 1.00 0.27 H new ATOM 0 HG12 VAL A 22 7.869 2.832 -6.145 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.275 3.542 -6.973 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.678 5.415 -8.754 1.00 0.21 H new ATOM 0 HG22 VAL A 22 9.017 4.390 -9.324 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.424 4.294 -10.112 1.00 0.21 H new ATOM 375 N PHE A 23 7.087 0.296 -7.202 1.00 0.12 N ATOM 376 CA PHE A 23 7.295 -0.792 -6.276 1.00 0.10 C ATOM 377 C PHE A 23 8.068 -1.873 -6.996 1.00 0.11 C ATOM 378 O PHE A 23 9.107 -2.325 -6.530 1.00 0.15 O ATOM 379 CB PHE A 23 5.969 -1.336 -5.745 1.00 0.10 C ATOM 380 CG PHE A 23 5.282 -0.421 -4.770 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.009 0.319 -3.859 1.00 0.32 C ATOM 382 CD2 PHE A 23 3.901 -0.311 -4.765 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.371 1.154 -2.963 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.259 0.520 -3.872 1.00 0.18 C ATOM 385 CZ PHE A 23 3.994 1.253 -2.969 1.00 0.26 C ATOM 0 H PHE A 23 6.117 0.471 -7.464 1.00 0.12 H new ATOM 0 HA PHE A 23 7.856 -0.436 -5.412 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.301 -1.522 -6.586 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.149 -2.296 -5.262 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.086 0.244 -3.847 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.319 -0.885 -5.471 1.00 0.18 H new ATOM 0 HE1 PHE A 23 5.950 1.730 -2.257 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.182 0.595 -3.881 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.495 1.904 -2.267 1.00 0.26 H new ATOM 395 N ASN A 24 7.598 -2.228 -8.179 1.00 0.12 N ATOM 396 CA ASN A 24 8.253 -3.249 -8.976 1.00 0.14 C ATOM 397 C ASN A 24 9.640 -2.788 -9.391 1.00 0.18 C ATOM 398 O ASN A 24 10.528 -3.610 -9.583 1.00 0.20 O ATOM 399 CB ASN A 24 7.410 -3.618 -10.201 1.00 0.16 C ATOM 400 CG ASN A 24 6.198 -4.479 -9.860 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.639 -5.150 -10.726 1.00 0.21 O ATOM 402 ND2 ASN A 24 5.811 -4.508 -8.590 1.00 0.15 N ATOM 0 H ASN A 24 6.766 -1.824 -8.608 1.00 0.12 H new ATOM 0 HA ASN A 24 8.357 -4.145 -8.364 1.00 0.14 H new ATOM 0 HB2 ASN A 24 7.072 -2.704 -10.690 1.00 0.16 H new ATOM 0 HB3 ASN A 24 8.036 -4.150 -10.917 1.00 0.16 H new ATOM 0 HD21 ASN A 24 5.029 -5.099 -8.309 1.00 0.15 H new ATOM 0 HD22 ASN A 24 6.296 -3.939 -7.896 1.00 0.15 H new ATOM 409 N LYS A 25 9.829 -1.466 -9.463 1.00 0.19 N ATOM 410 CA LYS A 25 11.125 -0.876 -9.820 1.00 0.25 C ATOM 411 C LYS A 25 12.127 -1.256 -8.770 1.00 0.24 C ATOM 412 O LYS A 25 13.313 -1.442 -9.032 1.00 0.30 O ATOM 413 CB LYS A 25 11.046 0.662 -9.925 1.00 0.28 C ATOM 414 CG LYS A 25 11.548 1.445 -8.696 1.00 0.25 C ATOM 415 CD LYS A 25 12.239 2.735 -9.112 1.00 0.38 C ATOM 416 CE LYS A 25 11.317 3.633 -9.923 1.00 1.18 C ATOM 417 NZ LYS A 25 12.054 4.755 -10.559 1.00 1.65 N ATOM 0 H LYS A 25 9.097 -0.781 -9.278 1.00 0.19 H new ATOM 0 HA LYS A 25 11.422 -1.257 -10.797 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.623 0.978 -10.794 1.00 0.28 H new ATOM 0 HB3 LYS A 25 10.009 0.942 -10.112 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.709 1.674 -8.039 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.240 0.826 -8.125 1.00 0.25 H new ATOM 0 HD2 LYS A 25 12.578 3.269 -8.224 1.00 0.38 H new ATOM 0 HD3 LYS A 25 13.126 2.499 -9.700 1.00 0.38 H new ATOM 0 HE2 LYS A 25 10.820 3.042 -10.693 1.00 1.18 H new ATOM 0 HE3 LYS A 25 10.537 4.032 -9.275 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 11.390 5.343 -11.102 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 12.507 5.334 -9.823 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 12.782 4.375 -11.197 1.00 1.65 H new ATOM 431 N GLU A 26 11.603 -1.390 -7.578 1.00 0.21 N ATOM 432 CA GLU A 26 12.394 -1.758 -6.436 1.00 0.26 C ATOM 433 C GLU A 26 12.570 -3.273 -6.374 1.00 0.36 C ATOM 434 O GLU A 26 13.115 -3.819 -5.412 1.00 0.78 O ATOM 435 CB GLU A 26 11.729 -1.219 -5.180 1.00 0.23 C ATOM 436 CG GLU A 26 11.751 0.294 -5.129 1.00 0.25 C ATOM 437 CD GLU A 26 13.172 0.818 -5.050 1.00 0.44 C ATOM 438 OE1 GLU A 26 13.870 0.817 -6.090 1.00 0.68 O ATOM 439 OE2 GLU A 26 13.612 1.208 -3.949 1.00 0.55 O ATOM 0 H GLU A 26 10.614 -1.246 -7.374 1.00 0.21 H new ATOM 0 HA GLU A 26 13.390 -1.322 -6.519 1.00 0.26 H new ATOM 0 HB2 GLU A 26 10.697 -1.568 -5.138 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.236 -1.618 -4.302 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.260 0.698 -6.014 1.00 0.25 H new ATOM 0 HG3 GLU A 26 11.184 0.640 -4.265 1.00 0.25 H new ATOM 446 N GLY A 27 12.108 -3.934 -7.429 1.00 0.19 N ATOM 447 CA GLY A 27 12.180 -5.373 -7.524 1.00 0.21 C ATOM 448 C GLY A 27 10.912 -6.031 -7.031 1.00 0.25 C ATOM 449 O GLY A 27 10.835 -7.249 -6.941 1.00 0.45 O ATOM 0 H GLY A 27 11.676 -3.483 -8.235 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.360 -5.661 -8.560 1.00 0.21 H new ATOM 0 HA3 GLY A 27 13.027 -5.734 -6.941 1.00 0.21 H new ATOM 453 N TYR A 28 9.896 -5.233 -6.745 1.00 0.15 N ATOM 454 CA TYR A 28 8.728 -5.747 -6.025 1.00 0.15 C ATOM 455 C TYR A 28 7.727 -6.382 -6.978 1.00 0.14 C ATOM 456 O TYR A 28 7.988 -6.505 -8.174 1.00 0.19 O ATOM 457 CB TYR A 28 8.014 -4.633 -5.243 1.00 0.20 C ATOM 458 CG TYR A 28 8.815 -4.030 -4.106 1.00 0.34 C ATOM 459 CD1 TYR A 28 10.166 -4.294 -3.953 1.00 0.84 C ATOM 460 CD2 TYR A 28 8.208 -3.188 -3.186 1.00 0.89 C ATOM 461 CE1 TYR A 28 10.887 -3.745 -2.914 1.00 0.93 C ATOM 462 CE2 TYR A 28 8.924 -2.633 -2.144 1.00 1.04 C ATOM 463 CZ TYR A 28 10.264 -2.918 -2.013 1.00 0.75 C ATOM 464 OH TYR A 28 10.984 -2.384 -0.976 1.00 0.98 O ATOM 0 H TYR A 28 9.849 -4.244 -6.992 1.00 0.15 H new ATOM 0 HA TYR A 28 9.100 -6.499 -5.329 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.744 -3.838 -5.938 1.00 0.20 H new ATOM 0 HB3 TYR A 28 7.084 -5.033 -4.839 1.00 0.20 H new ATOM 0 HD1 TYR A 28 10.663 -4.941 -4.660 1.00 0.84 H new ATOM 0 HD2 TYR A 28 7.157 -2.962 -3.286 1.00 0.89 H new ATOM 0 HE1 TYR A 28 11.939 -3.965 -2.809 1.00 0.93 H new ATOM 0 HE2 TYR A 28 8.436 -1.979 -1.436 1.00 1.04 H new ATOM 0 HH TYR A 28 11.941 -2.432 -1.183 1.00 0.98 H new ATOM 474 N GLN A 29 6.582 -6.790 -6.436 1.00 0.14 N ATOM 475 CA GLN A 29 5.451 -7.183 -7.256 1.00 0.16 C ATOM 476 C GLN A 29 4.204 -6.486 -6.755 1.00 0.14 C ATOM 477 O GLN A 29 3.952 -6.428 -5.554 1.00 0.17 O ATOM 478 CB GLN A 29 5.249 -8.688 -7.258 1.00 0.23 C ATOM 479 CG GLN A 29 5.386 -9.321 -5.904 1.00 1.14 C ATOM 480 CD GLN A 29 5.497 -10.833 -5.980 1.00 1.32 C ATOM 481 OE1 GLN A 29 6.021 -11.387 -6.948 1.00 1.95 O ATOM 482 NE2 GLN A 29 4.986 -11.511 -4.967 1.00 0.97 N ATOM 0 H GLN A 29 6.418 -6.855 -5.431 1.00 0.14 H new ATOM 0 HA GLN A 29 5.655 -6.884 -8.284 1.00 0.16 H new ATOM 0 HB2 GLN A 29 4.258 -8.911 -7.654 1.00 0.23 H new ATOM 0 HB3 GLN A 29 5.973 -9.141 -7.935 1.00 0.23 H new ATOM 0 HG2 GLN A 29 6.268 -8.919 -5.406 1.00 1.14 H new ATOM 0 HG3 GLN A 29 4.525 -9.053 -5.292 1.00 1.14 H new ATOM 0 HE21 GLN A 29 4.561 -11.015 -4.184 1.00 0.97 H new ATOM 0 HE22 GLN A 29 5.017 -12.531 -4.968 1.00 0.97 H new ATOM 491 N THR A 30 3.433 -5.951 -7.676 1.00 0.13 N ATOM 492 CA THR A 30 2.306 -5.121 -7.320 1.00 0.12 C ATOM 493 C THR A 30 1.042 -5.594 -7.990 1.00 0.14 C ATOM 494 O THR A 30 1.075 -6.425 -8.897 1.00 0.21 O ATOM 495 CB THR A 30 2.562 -3.661 -7.714 1.00 0.11 C ATOM 496 OG1 THR A 30 3.247 -3.626 -8.966 1.00 0.13 O ATOM 497 CG2 THR A 30 3.372 -2.953 -6.652 1.00 0.10 C ATOM 0 H THR A 30 3.567 -6.077 -8.679 1.00 0.13 H new ATOM 0 HA THR A 30 2.182 -5.193 -6.239 1.00 0.12 H new ATOM 0 HB THR A 30 1.607 -3.144 -7.807 1.00 0.11 H new ATOM 0 HG1 THR A 30 2.601 -3.732 -9.695 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.541 -1.919 -6.953 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.829 -2.972 -5.707 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.331 -3.457 -6.529 1.00 0.10 H new ATOM 505 N PHE A 31 -0.061 -5.070 -7.513 1.00 0.11 N ATOM 506 CA PHE A 31 -1.340 -5.292 -8.119 1.00 0.13 C ATOM 507 C PHE A 31 -2.177 -4.044 -7.929 1.00 0.11 C ATOM 508 O PHE A 31 -1.745 -3.104 -7.266 1.00 0.10 O ATOM 509 CB PHE A 31 -2.039 -6.505 -7.506 1.00 0.15 C ATOM 510 CG PHE A 31 -2.230 -7.636 -8.471 1.00 0.19 C ATOM 511 CD1 PHE A 31 -1.243 -8.590 -8.639 1.00 0.30 C ATOM 512 CD2 PHE A 31 -3.391 -7.736 -9.219 1.00 0.28 C ATOM 513 CE1 PHE A 31 -1.409 -9.624 -9.537 1.00 0.43 C ATOM 514 CE2 PHE A 31 -3.564 -8.771 -10.118 1.00 0.42 C ATOM 515 CZ PHE A 31 -2.571 -9.715 -10.278 1.00 0.48 C ATOM 0 H PHE A 31 -0.090 -4.473 -6.686 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.209 -5.499 -9.181 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.457 -6.858 -6.655 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -3.012 -6.198 -7.121 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -0.333 -8.525 -8.061 1.00 0.30 H new ATOM 0 HD2 PHE A 31 -4.170 -6.997 -9.098 1.00 0.28 H new ATOM 0 HE1 PHE A 31 -0.630 -10.362 -9.661 1.00 0.43 H new ATOM 0 HE2 PHE A 31 -4.475 -8.841 -10.694 1.00 0.42 H new ATOM 0 HZ PHE A 31 -2.702 -10.524 -10.982 1.00 0.48 H new ATOM 525 N GLN A 32 -3.362 -4.026 -8.492 1.00 0.13 N ATOM 526 CA GLN A 32 -4.172 -2.832 -8.476 1.00 0.13 C ATOM 527 C GLN A 32 -5.652 -3.136 -8.281 1.00 0.14 C ATOM 528 O GLN A 32 -6.110 -4.261 -8.473 1.00 0.18 O ATOM 529 CB GLN A 32 -3.957 -2.026 -9.754 1.00 0.15 C ATOM 530 CG GLN A 32 -4.038 -2.833 -11.037 1.00 0.17 C ATOM 531 CD GLN A 32 -2.771 -3.599 -11.354 1.00 0.56 C ATOM 532 OE1 GLN A 32 -2.632 -4.769 -11.013 1.00 1.29 O ATOM 533 NE2 GLN A 32 -1.828 -2.928 -11.994 1.00 0.44 N ATOM 0 H GLN A 32 -3.786 -4.824 -8.966 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.852 -2.239 -7.619 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.701 -1.230 -9.794 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -2.979 -1.546 -9.704 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -4.868 -3.536 -10.962 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -4.263 -2.161 -11.865 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.985 -1.956 -12.259 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -0.944 -3.383 -12.222 1.00 0.44 H new ATOM 542 N ALA A 33 -6.375 -2.104 -7.891 1.00 0.13 N ATOM 543 CA ALA A 33 -7.799 -2.181 -7.612 1.00 0.15 C ATOM 544 C ALA A 33 -8.446 -0.856 -7.932 1.00 0.20 C ATOM 545 O ALA A 33 -7.939 0.176 -7.531 1.00 0.32 O ATOM 546 CB ALA A 33 -8.018 -2.516 -6.160 1.00 0.16 C ATOM 0 H ALA A 33 -5.984 -1.172 -7.756 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.246 -2.961 -8.228 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -9.087 -2.572 -5.957 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.555 -3.476 -5.934 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.571 -1.742 -5.537 1.00 0.16 H new ATOM 552 N ALA A 34 -9.560 -0.877 -8.639 1.00 0.29 N ATOM 553 CA ALA A 34 -10.265 0.358 -8.965 1.00 0.32 C ATOM 554 C ALA A 34 -11.067 0.835 -7.766 1.00 0.33 C ATOM 555 O ALA A 34 -11.771 1.843 -7.822 1.00 0.47 O ATOM 556 CB ALA A 34 -11.171 0.163 -10.167 1.00 0.34 C ATOM 0 H ALA A 34 -9.997 -1.726 -8.998 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.527 1.119 -9.219 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.686 1.098 -10.390 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -10.574 -0.137 -11.028 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.905 -0.612 -9.947 1.00 0.34 H new ATOM 562 N ASN A 35 -10.942 0.089 -6.680 1.00 0.40 N ATOM 563 CA ASN A 35 -11.633 0.381 -5.443 1.00 0.46 C ATOM 564 C ASN A 35 -11.016 -0.481 -4.367 1.00 0.69 C ATOM 565 O ASN A 35 -10.244 -1.382 -4.673 1.00 1.79 O ATOM 566 CB ASN A 35 -13.115 0.051 -5.566 1.00 0.36 C ATOM 567 CG ASN A 35 -14.001 0.989 -4.762 1.00 0.50 C ATOM 568 OD1 ASN A 35 -14.416 2.028 -5.259 1.00 0.96 O ATOM 569 ND2 ASN A 35 -14.302 0.635 -3.518 1.00 0.31 N ATOM 0 H ASN A 35 -10.352 -0.742 -6.636 1.00 0.40 H new ATOM 0 HA ASN A 35 -11.540 1.440 -5.204 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.406 0.096 -6.616 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.282 -0.973 -5.232 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -14.896 1.236 -2.946 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -13.940 -0.238 -3.134 1.00 0.31 H new ATOM 576 N GLY A 36 -11.367 -0.256 -3.122 1.00 0.36 N ATOM 577 CA GLY A 36 -10.754 -1.036 -2.070 1.00 0.19 C ATOM 578 C GLY A 36 -11.253 -2.466 -2.096 1.00 0.13 C ATOM 579 O GLY A 36 -10.494 -3.406 -1.885 1.00 0.12 O ATOM 0 H GLY A 36 -12.051 0.437 -2.818 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.670 -1.023 -2.186 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -10.976 -0.587 -1.102 1.00 0.19 H new ATOM 583 N LEU A 37 -12.530 -2.609 -2.416 1.00 0.15 N ATOM 584 CA LEU A 37 -13.212 -3.903 -2.480 1.00 0.16 C ATOM 585 C LEU A 37 -12.543 -4.876 -3.446 1.00 0.17 C ATOM 586 O LEU A 37 -12.741 -6.086 -3.361 1.00 0.22 O ATOM 587 CB LEU A 37 -14.644 -3.664 -2.930 1.00 0.20 C ATOM 588 CG LEU A 37 -15.535 -2.975 -1.903 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.628 -2.183 -2.598 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.130 -4.007 -0.952 1.00 0.30 C ATOM 0 H LEU A 37 -13.135 -1.820 -2.643 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.170 -4.354 -1.489 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.628 -3.061 -3.838 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.091 -4.623 -3.192 1.00 0.20 H new ATOM 0 HG LEU A 37 -14.932 -2.278 -1.321 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.256 -1.697 -1.851 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -16.177 -1.427 -3.241 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.237 -2.856 -3.202 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -16.765 -3.505 -0.222 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -16.725 -4.724 -1.519 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.326 -4.531 -0.435 1.00 0.30 H new ATOM 602 N GLN A 38 -11.746 -4.346 -4.349 1.00 0.14 N ATOM 603 CA GLN A 38 -11.145 -5.157 -5.394 1.00 0.15 C ATOM 604 C GLN A 38 -9.836 -5.708 -4.893 1.00 0.12 C ATOM 605 O GLN A 38 -9.580 -6.907 -4.975 1.00 0.14 O ATOM 606 CB GLN A 38 -10.908 -4.323 -6.645 1.00 0.21 C ATOM 607 CG GLN A 38 -11.851 -3.143 -6.744 1.00 0.22 C ATOM 608 CD GLN A 38 -13.023 -3.378 -7.668 1.00 0.59 C ATOM 609 OE1 GLN A 38 -14.115 -2.857 -7.447 1.00 1.57 O ATOM 610 NE2 GLN A 38 -12.797 -4.143 -8.714 1.00 1.03 N ATOM 0 H GLN A 38 -11.497 -3.357 -4.383 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.820 -5.974 -5.648 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.879 -3.963 -6.648 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -11.027 -4.954 -7.526 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -12.226 -2.905 -5.749 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.294 -2.273 -7.092 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -11.874 -4.554 -8.856 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -13.545 -4.325 -9.383 1.00 1.03 H new ATOM 619 N ALA A 39 -9.013 -4.812 -4.363 1.00 0.11 N ATOM 620 CA ALA A 39 -7.812 -5.214 -3.675 1.00 0.10 C ATOM 621 C ALA A 39 -8.185 -6.135 -2.525 1.00 0.10 C ATOM 622 O ALA A 39 -7.446 -7.042 -2.169 1.00 0.11 O ATOM 623 CB ALA A 39 -7.045 -4.002 -3.165 1.00 0.11 C ATOM 0 H ALA A 39 -9.163 -3.804 -4.401 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.162 -5.745 -4.370 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.143 -4.333 -2.650 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.770 -3.365 -4.006 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.672 -3.439 -2.474 1.00 0.11 H new ATOM 629 N LEU A 40 -9.361 -5.896 -1.963 1.00 0.11 N ATOM 630 CA LEU A 40 -9.891 -6.729 -0.900 1.00 0.13 C ATOM 631 C LEU A 40 -9.997 -8.170 -1.368 1.00 0.13 C ATOM 632 O LEU A 40 -9.457 -9.084 -0.741 1.00 0.14 O ATOM 633 CB LEU A 40 -11.259 -6.228 -0.463 1.00 0.18 C ATOM 634 CG LEU A 40 -11.515 -6.296 1.048 1.00 0.26 C ATOM 635 CD1 LEU A 40 -12.971 -5.973 1.350 1.00 0.34 C ATOM 636 CD2 LEU A 40 -11.132 -7.657 1.635 1.00 0.40 C ATOM 0 H LEU A 40 -9.970 -5.123 -2.231 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.210 -6.678 -0.050 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.374 -5.195 -0.791 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.025 -6.812 -0.974 1.00 0.18 H new ATOM 0 HG LEU A 40 -10.878 -5.550 1.523 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.140 -6.025 2.426 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.202 -4.969 0.994 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -13.616 -6.694 0.847 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -11.330 -7.660 2.707 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -11.721 -8.439 1.155 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -10.072 -7.843 1.461 1.00 0.40 H new ATOM 648 N ASP A 41 -10.683 -8.353 -2.485 1.00 0.14 N ATOM 649 CA ASP A 41 -10.829 -9.665 -3.092 1.00 0.16 C ATOM 650 C ASP A 41 -9.459 -10.263 -3.396 1.00 0.16 C ATOM 651 O ASP A 41 -9.239 -11.461 -3.237 1.00 0.19 O ATOM 652 CB ASP A 41 -11.666 -9.554 -4.373 1.00 0.21 C ATOM 653 CG ASP A 41 -11.646 -10.812 -5.224 1.00 0.87 C ATOM 654 OD1 ASP A 41 -12.254 -11.824 -4.820 1.00 0.93 O ATOM 655 OD2 ASP A 41 -11.035 -10.787 -6.317 1.00 1.72 O ATOM 0 H ASP A 41 -11.151 -7.602 -2.993 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.342 -10.326 -2.394 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -12.697 -9.324 -4.104 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.297 -8.718 -4.967 1.00 0.21 H new ATOM 660 N ILE A 42 -8.530 -9.406 -3.799 1.00 0.14 N ATOM 661 CA ILE A 42 -7.173 -9.832 -4.112 1.00 0.15 C ATOM 662 C ILE A 42 -6.377 -10.148 -2.839 1.00 0.14 C ATOM 663 O ILE A 42 -5.409 -10.890 -2.880 1.00 0.17 O ATOM 664 CB ILE A 42 -6.428 -8.770 -4.948 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.166 -8.500 -6.252 1.00 0.19 C ATOM 666 CG2 ILE A 42 -5.003 -9.214 -5.242 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.592 -7.337 -7.024 1.00 0.20 C ATOM 0 H ILE A 42 -8.693 -8.406 -3.917 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.255 -10.744 -4.704 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.393 -7.849 -4.365 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.132 -9.394 -6.874 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.216 -8.302 -6.035 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.498 -8.449 -5.832 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.467 -9.361 -4.304 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -5.021 -10.150 -5.800 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.160 -7.194 -7.943 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.650 -6.433 -6.417 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.550 -7.542 -7.270 1.00 0.20 H new ATOM 679 N VAL A 43 -6.768 -9.595 -1.703 1.00 0.11 N ATOM 680 CA VAL A 43 -6.137 -9.983 -0.450 1.00 0.11 C ATOM 681 C VAL A 43 -6.655 -11.344 -0.017 1.00 0.13 C ATOM 682 O VAL A 43 -5.889 -12.214 0.386 1.00 0.15 O ATOM 683 CB VAL A 43 -6.353 -8.962 0.686 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.923 -9.562 2.013 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.581 -7.686 0.417 1.00 0.14 C ATOM 0 H VAL A 43 -7.502 -8.892 -1.620 1.00 0.11 H new ATOM 0 HA VAL A 43 -5.064 -10.021 -0.638 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.414 -8.717 0.732 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -6.079 -8.834 2.809 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.514 -10.455 2.217 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.867 -9.828 1.967 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.749 -6.981 1.231 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.517 -7.912 0.346 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -5.921 -7.246 -0.520 1.00 0.14 H new ATOM 695 N THR A 44 -7.956 -11.524 -0.126 1.00 0.14 N ATOM 696 CA THR A 44 -8.579 -12.801 0.165 1.00 0.19 C ATOM 697 C THR A 44 -8.040 -13.900 -0.765 1.00 0.22 C ATOM 698 O THR A 44 -7.885 -15.055 -0.361 1.00 0.28 O ATOM 699 CB THR A 44 -10.111 -12.679 0.019 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.630 -11.813 1.036 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.796 -14.031 0.092 1.00 0.83 C ATOM 0 H THR A 44 -8.608 -10.795 -0.417 1.00 0.14 H new ATOM 0 HA THR A 44 -8.337 -13.080 1.191 1.00 0.19 H new ATOM 0 HB THR A 44 -10.317 -12.257 -0.965 1.00 0.30 H new ATOM 0 HG1 THR A 44 -11.602 -11.738 0.937 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.873 -13.900 -0.015 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.427 -14.670 -0.710 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.581 -14.496 1.054 1.00 0.83 H new ATOM 709 N LYS A 45 -7.728 -13.519 -2.000 1.00 0.22 N ATOM 710 CA LYS A 45 -7.300 -14.476 -3.014 1.00 0.27 C ATOM 711 C LYS A 45 -5.770 -14.599 -3.101 1.00 0.27 C ATOM 712 O LYS A 45 -5.244 -15.696 -3.286 1.00 0.30 O ATOM 713 CB LYS A 45 -7.892 -14.083 -4.373 1.00 0.28 C ATOM 714 CG LYS A 45 -6.976 -13.246 -5.241 1.00 0.32 C ATOM 715 CD LYS A 45 -7.597 -12.974 -6.595 1.00 0.33 C ATOM 716 CE LYS A 45 -7.854 -14.264 -7.352 1.00 1.22 C ATOM 717 NZ LYS A 45 -8.645 -14.030 -8.585 1.00 1.64 N ATOM 0 H LYS A 45 -7.764 -12.552 -2.323 1.00 0.22 H new ATOM 0 HA LYS A 45 -7.672 -15.458 -2.722 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.156 -14.991 -4.916 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -8.817 -13.531 -4.206 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -6.761 -12.302 -4.741 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.025 -13.761 -5.372 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -8.534 -12.433 -6.466 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -6.936 -12.333 -7.178 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -6.903 -14.728 -7.613 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -8.384 -14.965 -6.707 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -8.800 -14.934 -9.075 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -9.563 -13.610 -8.334 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -8.127 -13.381 -9.212 1.00 1.64 H new ATOM 731 N GLU A 46 -5.058 -13.483 -2.978 1.00 0.27 N ATOM 732 CA GLU A 46 -3.608 -13.483 -3.137 1.00 0.30 C ATOM 733 C GLU A 46 -2.888 -13.339 -1.814 1.00 0.29 C ATOM 734 O GLU A 46 -1.812 -13.910 -1.637 1.00 0.34 O ATOM 735 CB GLU A 46 -3.153 -12.390 -4.103 1.00 0.29 C ATOM 736 CG GLU A 46 -3.589 -12.708 -5.520 1.00 0.36 C ATOM 737 CD GLU A 46 -2.828 -11.986 -6.601 1.00 0.75 C ATOM 738 OE1 GLU A 46 -2.849 -10.749 -6.635 1.00 1.76 O ATOM 739 OE2 GLU A 46 -2.172 -12.671 -7.414 1.00 0.59 O ATOM 0 H GLU A 46 -5.460 -12.569 -2.769 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.344 -14.453 -3.557 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.570 -11.431 -3.796 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -2.068 -12.293 -4.065 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -3.489 -13.781 -5.682 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -4.647 -12.468 -5.620 1.00 0.36 H new ATOM 746 N ARG A 47 -3.483 -12.589 -0.887 1.00 0.27 N ATOM 747 CA ARG A 47 -2.836 -12.288 0.384 1.00 0.27 C ATOM 748 C ARG A 47 -1.483 -11.644 0.102 1.00 0.27 C ATOM 749 O ARG A 47 -0.448 -12.312 0.109 1.00 0.35 O ATOM 750 CB ARG A 47 -2.664 -13.571 1.225 1.00 0.32 C ATOM 751 CG ARG A 47 -2.714 -13.378 2.741 1.00 0.58 C ATOM 752 CD ARG A 47 -1.618 -12.459 3.268 1.00 1.26 C ATOM 753 NE ARG A 47 -0.267 -12.926 2.954 1.00 2.00 N ATOM 754 CZ ARG A 47 0.843 -12.314 3.375 1.00 2.89 C ATOM 755 NH1 ARG A 47 0.770 -11.275 4.194 1.00 3.35 N ATOM 756 NH2 ARG A 47 2.033 -12.743 2.985 1.00 3.75 N ATOM 0 H ARG A 47 -4.411 -12.180 -0.995 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.457 -11.599 0.957 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -3.444 -14.278 0.941 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -1.709 -14.029 0.966 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -3.686 -12.968 3.016 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -2.629 -14.350 3.227 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -1.757 -11.463 2.848 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -1.720 -12.367 4.349 1.00 1.26 H new ATOM 0 HE ARG A 47 -0.168 -13.765 2.382 1.00 2.00 H new ATOM 0 HH11 ARG A 47 -0.139 -10.936 4.508 1.00 3.35 H new ATOM 0 HH12 ARG A 47 1.623 -10.814 4.510 1.00 3.35 H new ATOM 0 HH21 ARG A 47 2.106 -13.545 2.359 1.00 3.75 H new ATOM 0 HH22 ARG A 47 2.877 -12.271 3.310 1.00 3.75 H new ATOM 770 N PRO A 48 -1.472 -10.345 -0.204 1.00 0.23 N ATOM 771 CA PRO A 48 -0.242 -9.634 -0.472 1.00 0.22 C ATOM 772 C PRO A 48 0.475 -9.352 0.845 1.00 0.26 C ATOM 773 O PRO A 48 -0.131 -9.463 1.905 1.00 0.44 O ATOM 774 CB PRO A 48 -0.695 -8.328 -1.143 1.00 0.18 C ATOM 775 CG PRO A 48 -2.188 -8.383 -1.214 1.00 0.19 C ATOM 776 CD PRO A 48 -2.634 -9.459 -0.264 1.00 0.34 C ATOM 0 HA PRO A 48 0.452 -10.192 -1.101 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.366 -7.462 -0.569 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.262 -8.233 -2.139 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.623 -7.422 -0.940 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.518 -8.604 -2.229 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -2.884 -9.054 0.717 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -3.520 -9.979 -0.629 1.00 0.34 H new ATOM 784 N ASP A 49 1.741 -8.983 0.806 1.00 0.25 N ATOM 785 CA ASP A 49 2.454 -8.732 2.050 1.00 0.30 C ATOM 786 C ASP A 49 2.529 -7.237 2.308 1.00 0.27 C ATOM 787 O ASP A 49 3.156 -6.781 3.263 1.00 0.47 O ATOM 788 CB ASP A 49 3.848 -9.361 2.039 1.00 0.41 C ATOM 789 CG ASP A 49 4.270 -9.803 3.428 1.00 0.80 C ATOM 790 OD1 ASP A 49 3.827 -10.885 3.864 1.00 1.43 O ATOM 791 OD2 ASP A 49 5.033 -9.075 4.099 1.00 1.10 O ATOM 0 H ASP A 49 2.287 -8.852 -0.046 1.00 0.25 H new ATOM 0 HA ASP A 49 1.901 -9.202 2.863 1.00 0.30 H new ATOM 0 HB2 ASP A 49 3.856 -10.218 1.365 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.569 -8.642 1.650 1.00 0.41 H new ATOM 796 N LEU A 50 1.896 -6.481 1.421 1.00 0.17 N ATOM 797 CA LEU A 50 1.664 -5.065 1.634 1.00 0.17 C ATOM 798 C LEU A 50 0.511 -4.606 0.747 1.00 0.14 C ATOM 799 O LEU A 50 0.348 -5.089 -0.373 1.00 0.15 O ATOM 800 CB LEU A 50 2.922 -4.246 1.351 1.00 0.24 C ATOM 801 CG LEU A 50 2.875 -2.810 1.864 1.00 0.19 C ATOM 802 CD1 LEU A 50 3.759 -2.662 3.090 1.00 0.38 C ATOM 803 CD2 LEU A 50 3.295 -1.850 0.770 1.00 0.45 C ATOM 0 H LEU A 50 1.531 -6.834 0.537 1.00 0.17 H new ATOM 0 HA LEU A 50 1.403 -4.906 2.680 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.777 -4.751 1.801 1.00 0.24 H new ATOM 0 HB3 LEU A 50 3.093 -4.228 0.275 1.00 0.24 H new ATOM 0 HG LEU A 50 1.852 -2.569 2.153 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.717 -1.633 3.447 1.00 0.38 H new ATOM 0 HD12 LEU A 50 3.408 -3.333 3.875 1.00 0.38 H new ATOM 0 HD13 LEU A 50 4.787 -2.914 2.830 1.00 0.38 H new ATOM 0 HD21 LEU A 50 3.257 -0.828 1.148 1.00 0.45 H new ATOM 0 HD22 LEU A 50 4.312 -2.082 0.453 1.00 0.45 H new ATOM 0 HD23 LEU A 50 2.619 -1.948 -0.079 1.00 0.45 H new ATOM 815 N VAL A 51 -0.299 -3.697 1.257 1.00 0.14 N ATOM 816 CA VAL A 51 -1.476 -3.210 0.546 1.00 0.14 C ATOM 817 C VAL A 51 -1.561 -1.695 0.697 1.00 0.17 C ATOM 818 O VAL A 51 -1.214 -1.179 1.744 1.00 0.39 O ATOM 819 CB VAL A 51 -2.766 -3.843 1.125 1.00 0.14 C ATOM 820 CG1 VAL A 51 -4.012 -3.280 0.460 1.00 0.97 C ATOM 821 CG2 VAL A 51 -2.736 -5.357 0.990 1.00 0.94 C ATOM 0 H VAL A 51 -0.163 -3.273 2.175 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.387 -3.485 -0.505 1.00 0.14 H new ATOM 0 HB VAL A 51 -2.805 -3.588 2.184 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -4.897 -3.747 0.891 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -4.055 -2.203 0.621 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -3.978 -3.486 -0.610 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.653 -5.777 1.404 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -2.656 -5.627 -0.063 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -1.878 -5.754 1.532 1.00 0.94 H new ATOM 831 N LEU A 52 -1.983 -0.984 -0.337 1.00 0.14 N ATOM 832 CA LEU A 52 -2.233 0.448 -0.215 1.00 0.13 C ATOM 833 C LEU A 52 -3.626 0.809 -0.713 1.00 0.14 C ATOM 834 O LEU A 52 -4.039 0.403 -1.801 1.00 0.18 O ATOM 835 CB LEU A 52 -1.190 1.290 -0.953 1.00 0.15 C ATOM 836 CG LEU A 52 0.009 1.726 -0.108 1.00 0.17 C ATOM 837 CD1 LEU A 52 1.022 0.602 0.010 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.648 2.973 -0.701 1.00 0.25 C ATOM 0 H LEU A 52 -2.159 -1.369 -1.265 1.00 0.14 H new ATOM 0 HA LEU A 52 -2.159 0.679 0.848 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.825 0.720 -1.807 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.679 2.180 -1.349 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.344 1.965 0.895 1.00 0.17 H new ATOM 0 HD11 LEU A 52 1.866 0.935 0.615 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.554 -0.261 0.483 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.375 0.324 -0.983 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.499 3.271 -0.089 1.00 0.25 H new ATOM 0 HD22 LEU A 52 0.986 2.761 -1.715 1.00 0.25 H new ATOM 0 HD23 LEU A 52 -0.083 3.781 -0.724 1.00 0.25 H new ATOM 850 N LEU A 53 -4.339 1.578 0.098 1.00 0.16 N ATOM 851 CA LEU A 53 -5.699 1.994 -0.220 1.00 0.17 C ATOM 852 C LEU A 53 -5.771 3.511 -0.281 1.00 0.19 C ATOM 853 O LEU A 53 -5.743 4.164 0.756 1.00 0.36 O ATOM 854 CB LEU A 53 -6.691 1.513 0.853 1.00 0.21 C ATOM 855 CG LEU A 53 -6.577 0.047 1.284 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.719 -0.323 2.203 1.00 0.42 C ATOM 857 CD2 LEU A 53 -6.549 -0.884 0.086 1.00 0.53 C ATOM 0 H LEU A 53 -3.994 1.930 0.991 1.00 0.16 H new ATOM 0 HA LEU A 53 -5.964 1.555 -1.182 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.567 2.139 1.737 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.702 1.682 0.482 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.635 -0.067 1.821 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.623 -1.367 2.500 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -7.692 0.310 3.090 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.666 -0.179 1.683 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -6.468 -1.916 0.429 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -7.467 -0.764 -0.489 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -5.692 -0.642 -0.543 1.00 0.53 H new ATOM 869 N ASP A 54 -5.846 4.084 -1.469 1.00 0.23 N ATOM 870 CA ASP A 54 -6.003 5.529 -1.567 1.00 0.23 C ATOM 871 C ASP A 54 -7.451 5.901 -1.305 1.00 0.24 C ATOM 872 O ASP A 54 -8.300 5.741 -2.163 1.00 0.29 O ATOM 873 CB ASP A 54 -5.590 6.050 -2.950 1.00 0.29 C ATOM 874 CG ASP A 54 -5.522 7.567 -3.002 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.163 8.185 -1.981 1.00 0.33 O ATOM 876 OD2 ASP A 54 -5.847 8.145 -4.065 1.00 0.35 O ATOM 0 H ASP A 54 -5.802 3.589 -2.360 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.353 5.988 -0.822 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -4.617 5.636 -3.215 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -6.301 5.695 -3.696 1.00 0.29 H new ATOM 881 N MET A 55 -7.741 6.418 -0.126 1.00 0.22 N ATOM 882 CA MET A 55 -9.102 6.847 0.175 1.00 0.25 C ATOM 883 C MET A 55 -9.351 8.196 -0.482 1.00 0.26 C ATOM 884 O MET A 55 -10.415 8.799 -0.348 1.00 0.29 O ATOM 885 CB MET A 55 -9.350 6.891 1.688 1.00 0.26 C ATOM 886 CG MET A 55 -8.417 7.804 2.465 1.00 0.25 C ATOM 887 SD MET A 55 -8.863 9.548 2.345 1.00 0.68 S ATOM 888 CE MET A 55 -10.578 9.480 2.858 1.00 0.38 C ATOM 0 H MET A 55 -7.069 6.551 0.630 1.00 0.22 H new ATOM 0 HA MET A 55 -9.810 6.124 -0.230 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.377 7.211 1.864 1.00 0.26 H new ATOM 0 HB3 MET A 55 -9.259 5.880 2.085 1.00 0.26 H new ATOM 0 HG2 MET A 55 -8.419 7.507 3.514 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.400 7.670 2.098 1.00 0.25 H new ATOM 0 HE1 MET A 55 -10.901 10.470 3.180 1.00 0.38 H new ATOM 0 HE2 MET A 55 -11.195 9.151 2.022 1.00 0.38 H new ATOM 0 HE3 MET A 55 -10.683 8.777 3.685 1.00 0.38 H new ATOM 898 N LYS A 56 -8.343 8.643 -1.215 1.00 0.26 N ATOM 899 CA LYS A 56 -8.426 9.845 -2.005 1.00 0.31 C ATOM 900 C LYS A 56 -8.843 9.473 -3.423 1.00 0.35 C ATOM 901 O LYS A 56 -9.081 10.332 -4.276 1.00 0.41 O ATOM 902 CB LYS A 56 -7.080 10.560 -2.003 1.00 0.35 C ATOM 903 CG LYS A 56 -7.115 11.902 -2.695 1.00 0.45 C ATOM 904 CD LYS A 56 -7.735 13.008 -1.833 1.00 0.49 C ATOM 905 CE LYS A 56 -9.119 12.647 -1.302 1.00 0.38 C ATOM 906 NZ LYS A 56 -9.879 13.833 -0.816 1.00 0.44 N ATOM 0 H LYS A 56 -7.440 8.172 -1.274 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.168 10.522 -1.582 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -6.752 10.699 -0.973 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.339 9.927 -2.491 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -6.100 12.189 -2.969 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -7.682 11.811 -3.622 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -7.074 13.219 -0.993 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -7.805 13.923 -2.421 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -9.688 12.155 -2.090 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -9.015 11.929 -0.488 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -10.122 13.703 0.187 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -9.295 14.687 -0.923 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -10.751 13.938 -1.372 1.00 0.44 H new ATOM 920 N ILE A 57 -8.943 8.171 -3.643 1.00 0.36 N ATOM 921 CA ILE A 57 -9.267 7.611 -4.938 1.00 0.43 C ATOM 922 C ILE A 57 -10.677 8.024 -5.395 1.00 0.38 C ATOM 923 O ILE A 57 -11.557 8.263 -4.567 1.00 0.45 O ATOM 924 CB ILE A 57 -9.127 6.070 -4.885 1.00 0.57 C ATOM 925 CG1 ILE A 57 -8.418 5.576 -6.134 1.00 0.93 C ATOM 926 CG2 ILE A 57 -10.470 5.370 -4.709 1.00 0.71 C ATOM 927 CD1 ILE A 57 -7.068 6.225 -6.334 1.00 1.79 C ATOM 0 H ILE A 57 -8.799 7.469 -2.917 1.00 0.36 H new ATOM 0 HA ILE A 57 -8.566 8.007 -5.673 1.00 0.43 H new ATOM 0 HB ILE A 57 -8.530 5.820 -4.008 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -8.291 4.495 -6.071 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -9.044 5.774 -7.004 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -10.317 4.291 -4.678 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -10.932 5.698 -3.778 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -11.123 5.620 -5.545 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -6.607 5.834 -7.241 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -7.193 7.304 -6.426 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -6.429 6.006 -5.479 1.00 1.79 H new ATOM 939 N PRO A 58 -10.885 8.159 -6.722 1.00 0.34 N ATOM 940 CA PRO A 58 -12.192 8.502 -7.312 1.00 0.31 C ATOM 941 C PRO A 58 -13.342 7.596 -6.859 1.00 0.41 C ATOM 942 O PRO A 58 -14.493 8.030 -6.800 1.00 1.18 O ATOM 943 CB PRO A 58 -11.950 8.330 -8.807 1.00 0.46 C ATOM 944 CG PRO A 58 -10.500 8.596 -8.978 1.00 0.70 C ATOM 945 CD PRO A 58 -9.844 8.039 -7.758 1.00 0.41 C ATOM 0 HA PRO A 58 -12.506 9.500 -7.008 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -12.212 7.325 -9.139 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -12.553 9.026 -9.390 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -10.118 8.120 -9.881 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -10.306 9.664 -9.075 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -9.540 7.002 -7.904 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -8.948 8.600 -7.493 1.00 0.41 H new ATOM 953 N GLY A 59 -13.034 6.343 -6.553 1.00 0.86 N ATOM 954 CA GLY A 59 -14.061 5.410 -6.123 1.00 0.93 C ATOM 955 C GLY A 59 -14.391 5.546 -4.645 1.00 0.80 C ATOM 956 O GLY A 59 -14.324 6.640 -4.082 1.00 1.71 O ATOM 0 H GLY A 59 -12.092 5.954 -6.594 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -14.965 5.574 -6.710 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -13.730 4.392 -6.326 1.00 0.93 H new ATOM 960 N MET A 60 -14.752 4.435 -4.018 1.00 0.77 N ATOM 961 CA MET A 60 -15.044 4.424 -2.592 1.00 0.49 C ATOM 962 C MET A 60 -13.759 4.365 -1.791 1.00 0.60 C ATOM 963 O MET A 60 -12.760 3.795 -2.239 1.00 1.30 O ATOM 964 CB MET A 60 -15.903 3.218 -2.194 1.00 0.65 C ATOM 965 CG MET A 60 -17.325 3.225 -2.729 1.00 0.83 C ATOM 966 SD MET A 60 -17.418 2.913 -4.500 1.00 1.92 S ATOM 967 CE MET A 60 -19.185 2.739 -4.719 1.00 2.52 C ATOM 0 H MET A 60 -14.850 3.529 -4.475 1.00 0.77 H new ATOM 0 HA MET A 60 -15.592 5.342 -2.377 1.00 0.49 H new ATOM 0 HB2 MET A 60 -15.407 2.311 -2.540 1.00 0.65 H new ATOM 0 HB3 MET A 60 -15.943 3.165 -1.106 1.00 0.65 H new ATOM 0 HG2 MET A 60 -17.908 2.470 -2.202 1.00 0.83 H new ATOM 0 HG3 MET A 60 -17.783 4.190 -2.512 1.00 0.83 H new ATOM 0 HE1 MET A 60 -19.404 2.541 -5.768 1.00 2.52 H new ATOM 0 HE2 MET A 60 -19.547 1.910 -4.111 1.00 2.52 H new ATOM 0 HE3 MET A 60 -19.682 3.659 -4.412 1.00 2.52 H new ATOM 977 N ASP A 61 -13.795 4.940 -0.604 1.00 0.36 N ATOM 978 CA ASP A 61 -12.697 4.798 0.334 1.00 0.35 C ATOM 979 C ASP A 61 -12.650 3.364 0.816 1.00 0.47 C ATOM 980 O ASP A 61 -13.683 2.745 1.076 1.00 1.11 O ATOM 981 CB ASP A 61 -12.848 5.755 1.524 1.00 0.42 C ATOM 982 CG ASP A 61 -14.047 5.431 2.400 1.00 0.68 C ATOM 983 OD1 ASP A 61 -15.149 5.942 2.116 1.00 0.99 O ATOM 984 OD2 ASP A 61 -13.893 4.671 3.382 1.00 1.07 O ATOM 0 H ASP A 61 -14.571 5.509 -0.266 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.766 5.053 -0.172 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -11.942 5.718 2.130 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -12.942 6.775 1.153 1.00 0.42 H new ATOM 989 N GLY A 62 -11.455 2.824 0.899 1.00 0.36 N ATOM 990 CA GLY A 62 -11.312 1.457 1.317 1.00 0.32 C ATOM 991 C GLY A 62 -11.033 1.343 2.801 1.00 0.29 C ATOM 992 O GLY A 62 -10.339 0.428 3.228 1.00 0.31 O ATOM 0 H GLY A 62 -10.582 3.306 0.685 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -12.222 0.907 1.076 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -10.500 0.990 0.759 1.00 0.32 H new ATOM 996 N ILE A 63 -11.579 2.257 3.595 1.00 0.28 N ATOM 997 CA ILE A 63 -11.360 2.214 5.035 1.00 0.29 C ATOM 998 C ILE A 63 -11.855 0.889 5.594 1.00 0.29 C ATOM 999 O ILE A 63 -11.089 0.103 6.163 1.00 0.31 O ATOM 1000 CB ILE A 63 -12.080 3.357 5.800 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.244 4.651 5.797 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -12.387 2.909 7.235 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -10.875 5.146 4.419 1.00 0.52 C ATOM 0 H ILE A 63 -12.167 3.025 3.272 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.287 2.334 5.181 1.00 0.29 H new ATOM 0 HB ILE A 63 -13.017 3.576 5.288 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -11.802 5.432 6.314 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -10.330 4.481 6.367 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -12.892 3.715 7.768 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -13.031 2.030 7.212 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -11.456 2.664 7.747 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -10.288 6.060 4.506 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -10.288 4.385 3.904 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -11.782 5.350 3.851 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.149 0.640 5.411 1.00 0.31 N ATOM 1016 CA GLU A 64 -13.758 -0.577 5.887 1.00 0.35 C ATOM 1017 C GLU A 64 -13.210 -1.758 5.106 1.00 0.29 C ATOM 1018 O GLU A 64 -13.395 -2.907 5.477 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.272 -0.526 5.721 1.00 0.46 C ATOM 1020 CG GLU A 64 -16.020 -0.947 6.965 1.00 0.73 C ATOM 1021 CD GLU A 64 -17.253 -1.767 6.654 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -18.265 -1.194 6.211 1.00 1.63 O ATOM 1023 OE2 GLU A 64 -17.204 -3.004 6.828 1.00 1.69 O ATOM 0 H GLU A 64 -13.790 1.274 4.933 1.00 0.31 H new ATOM 0 HA GLU A 64 -13.525 -0.688 6.946 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.568 0.488 5.452 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -15.563 -1.173 4.893 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -15.355 -1.526 7.605 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -16.311 -0.060 7.527 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.538 -1.458 4.015 1.00 0.26 N ATOM 1031 CA ILE A 65 -11.896 -2.475 3.220 1.00 0.24 C ATOM 1032 C ILE A 65 -10.673 -3.004 3.951 1.00 0.24 C ATOM 1033 O ILE A 65 -10.507 -4.210 4.083 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.485 -1.929 1.846 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.727 -1.512 1.052 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.663 -2.956 1.090 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -13.814 -2.560 1.031 1.00 0.50 C ATOM 0 H ILE A 65 -12.424 -0.509 3.659 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.608 -3.285 3.064 1.00 0.24 H new ATOM 0 HB ILE A 65 -10.862 -1.046 1.987 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -13.129 -0.593 1.479 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.433 -1.285 0.027 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -10.380 -2.552 0.118 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -9.764 -3.194 1.659 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -11.253 -3.862 0.949 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.661 -2.194 0.451 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -13.430 -3.473 0.576 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -14.137 -2.770 2.051 1.00 0.50 H new ATOM 1049 N ALA A 66 -9.837 -2.088 4.444 1.00 0.25 N ATOM 1050 CA ALA A 66 -8.705 -2.453 5.292 1.00 0.26 C ATOM 1051 C ALA A 66 -9.221 -3.113 6.557 1.00 0.24 C ATOM 1052 O ALA A 66 -8.558 -3.949 7.164 1.00 0.26 O ATOM 1053 CB ALA A 66 -7.875 -1.224 5.638 1.00 0.28 C ATOM 0 H ALA A 66 -9.925 -1.087 4.269 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.065 -3.151 4.753 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.037 -1.517 6.270 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.497 -0.770 4.722 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.496 -0.504 6.170 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.418 -2.707 6.938 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.154 -3.338 8.014 1.00 0.23 C ATOM 1061 C LYS A 67 -11.450 -4.795 7.714 1.00 0.24 C ATOM 1062 O LYS A 67 -11.124 -5.681 8.479 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.467 -2.620 8.212 1.00 0.26 C ATOM 1064 CG LYS A 67 -13.436 -3.439 9.002 1.00 0.38 C ATOM 1065 CD LYS A 67 -13.850 -2.683 10.254 1.00 0.41 C ATOM 1066 CE LYS A 67 -15.093 -1.847 10.068 1.00 0.72 C ATOM 1067 NZ LYS A 67 -15.245 -0.843 11.155 1.00 1.05 N ATOM 0 H LYS A 67 -10.909 -1.924 6.505 1.00 0.23 H new ATOM 0 HA LYS A 67 -10.537 -3.283 8.911 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.290 -1.674 8.723 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -12.900 -2.381 7.241 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -14.313 -3.665 8.396 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -12.983 -4.392 9.275 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -14.019 -3.396 11.061 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -13.030 -2.036 10.566 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -15.049 -1.338 9.105 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -15.969 -2.496 10.046 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -16.214 -0.465 11.146 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -15.058 -1.294 12.073 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -14.569 -0.066 11.007 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.100 -5.035 6.603 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.501 -6.374 6.251 1.00 0.23 C ATOM 1083 C ARG A 68 -11.264 -7.178 5.878 1.00 0.24 C ATOM 1084 O ARG A 68 -11.245 -8.406 5.937 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.493 -6.318 5.107 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.729 -5.497 5.445 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.345 -4.930 4.174 1.00 0.30 C ATOM 1088 NE ARG A 68 -16.461 -4.023 4.436 1.00 0.84 N ATOM 1089 CZ ARG A 68 -17.360 -3.662 3.516 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -17.379 -4.247 2.325 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -18.273 -2.742 3.798 1.00 1.58 N ATOM 0 H ARG A 68 -12.363 -4.319 5.926 1.00 0.22 H new ATOM 0 HA ARG A 68 -12.988 -6.862 7.095 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -13.007 -5.892 4.230 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.795 -7.331 4.843 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.457 -6.119 5.965 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.462 -4.686 6.122 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -14.578 -4.400 3.610 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -15.691 -5.751 3.547 1.00 0.30 H new ATOM 0 HE ARG A 68 -16.559 -3.643 5.377 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -16.703 -4.979 2.106 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -18.069 -3.965 1.629 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -18.291 -2.307 4.720 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -18.957 -2.470 3.092 1.00 1.58 H new ATOM 1105 N MET A 69 -10.226 -6.444 5.503 1.00 0.23 N ATOM 1106 CA MET A 69 -8.901 -7.001 5.303 1.00 0.26 C ATOM 1107 C MET A 69 -8.294 -7.376 6.658 1.00 0.18 C ATOM 1108 O MET A 69 -7.481 -8.286 6.741 1.00 0.19 O ATOM 1109 CB MET A 69 -7.985 -5.989 4.609 1.00 0.42 C ATOM 1110 CG MET A 69 -8.049 -5.983 3.086 1.00 0.60 C ATOM 1111 SD MET A 69 -7.259 -4.513 2.397 1.00 2.21 S ATOM 1112 CE MET A 69 -7.540 -4.745 0.648 1.00 3.06 C ATOM 0 H MET A 69 -10.282 -5.441 5.329 1.00 0.23 H new ATOM 0 HA MET A 69 -8.991 -7.886 4.673 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.235 -4.991 4.970 1.00 0.42 H new ATOM 0 HB3 MET A 69 -6.957 -6.189 4.911 1.00 0.42 H new ATOM 0 HG2 MET A 69 -7.561 -6.876 2.697 1.00 0.60 H new ATOM 0 HG3 MET A 69 -9.090 -6.023 2.764 1.00 0.60 H new ATOM 0 HE1 MET A 69 -6.893 -4.074 0.083 1.00 3.06 H new ATOM 0 HE2 MET A 69 -7.317 -5.777 0.377 1.00 3.06 H new ATOM 0 HE3 MET A 69 -8.582 -4.525 0.415 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.677 -6.653 7.723 1.00 0.19 N ATOM 1123 CA LYS A 70 -8.257 -7.025 9.073 1.00 0.20 C ATOM 1124 C LYS A 70 -9.067 -8.229 9.529 1.00 0.19 C ATOM 1125 O LYS A 70 -8.630 -9.016 10.363 1.00 0.23 O ATOM 1126 CB LYS A 70 -8.395 -5.886 10.108 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.709 -5.901 10.867 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.540 -5.565 12.340 1.00 0.40 C ATOM 1129 CE LYS A 70 -8.755 -6.635 13.082 1.00 0.47 C ATOM 1130 NZ LYS A 70 -8.644 -6.327 14.533 1.00 0.75 N ATOM 0 H LYS A 70 -9.267 -5.822 7.673 1.00 0.19 H new ATOM 0 HA LYS A 70 -7.194 -7.259 9.019 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.574 -5.955 10.821 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -8.293 -4.929 9.596 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -10.395 -5.186 10.412 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -10.167 -6.886 10.773 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -9.028 -4.607 12.437 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -10.521 -5.450 12.801 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -9.243 -7.601 12.951 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -7.758 -6.720 12.650 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -8.103 -7.078 15.007 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -8.157 -5.417 14.658 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -9.595 -6.271 14.950 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.255 -8.363 8.976 1.00 0.19 N ATOM 1145 CA VAL A 71 -11.053 -9.549 9.208 1.00 0.23 C ATOM 1146 C VAL A 71 -10.437 -10.731 8.456 1.00 0.27 C ATOM 1147 O VAL A 71 -10.491 -11.880 8.903 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.522 -9.317 8.780 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.320 -10.612 8.815 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -13.173 -8.271 9.674 1.00 0.25 C ATOM 0 H VAL A 71 -10.687 -7.669 8.366 1.00 0.19 H new ATOM 0 HA VAL A 71 -11.058 -9.775 10.274 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.519 -8.953 7.752 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.347 -10.415 8.509 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -12.871 -11.335 8.134 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.314 -11.016 9.827 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -14.206 -8.118 9.362 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -13.154 -8.614 10.709 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.626 -7.332 9.593 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.815 -10.418 7.327 1.00 0.25 N ATOM 1161 CA ILE A 72 -9.145 -11.414 6.501 1.00 0.30 C ATOM 1162 C ILE A 72 -7.763 -11.801 7.061 1.00 0.29 C ATOM 1163 O ILE A 72 -7.453 -12.988 7.184 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.034 -10.905 5.037 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -10.288 -11.298 4.246 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -7.782 -11.408 4.344 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -10.600 -12.780 4.302 1.00 1.11 C ATOM 0 H ILE A 72 -9.761 -9.468 6.958 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.751 -12.320 6.515 1.00 0.30 H new ATOM 0 HB ILE A 72 -8.959 -9.818 5.073 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -11.141 -10.741 4.633 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -10.159 -11.001 3.205 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -7.752 -11.024 3.324 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -6.902 -11.064 4.888 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -7.791 -12.498 4.322 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -11.499 -12.985 3.721 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -9.764 -13.344 3.888 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -10.762 -13.079 5.338 1.00 1.11 H new ATOM 1179 N ASP A 73 -6.946 -10.813 7.422 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.571 -11.080 7.871 1.00 0.21 C ATOM 1181 C ASP A 73 -5.164 -10.154 9.016 1.00 0.22 C ATOM 1182 O ASP A 73 -4.049 -10.244 9.532 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.584 -10.894 6.716 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.216 -11.486 7.012 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -3.079 -12.727 6.982 1.00 0.48 O ATOM 1186 OD2 ASP A 73 -2.272 -10.712 7.277 1.00 0.29 O ATOM 0 H ASP A 73 -7.205 -9.826 7.414 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.544 -12.111 8.223 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -4.990 -11.360 5.818 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.477 -9.830 6.503 1.00 0.23 H new ATOM 1191 N GLU A 74 -6.081 -9.281 9.412 1.00 0.22 N ATOM 1192 CA GLU A 74 -5.820 -8.237 10.410 1.00 0.35 C ATOM 1193 C GLU A 74 -4.836 -7.196 9.885 1.00 0.43 C ATOM 1194 O GLU A 74 -5.217 -6.078 9.553 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.313 -8.825 11.725 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.290 -7.808 12.846 1.00 0.62 C ATOM 1197 CD GLU A 74 -4.493 -8.274 14.041 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -5.069 -8.947 14.921 1.00 1.00 O ATOM 1199 OE2 GLU A 74 -3.290 -7.962 14.108 1.00 0.92 O ATOM 0 H GLU A 74 -7.035 -9.272 9.051 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.772 -7.744 10.604 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -5.948 -9.663 12.013 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.308 -9.221 11.578 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -4.868 -6.874 12.475 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.312 -7.594 13.158 1.00 0.62 H new ATOM 1206 N ASN A 75 -3.592 -7.591 9.748 1.00 0.18 N ATOM 1207 CA ASN A 75 -2.516 -6.679 9.420 1.00 0.22 C ATOM 1208 C ASN A 75 -1.939 -7.078 8.095 1.00 0.19 C ATOM 1209 O ASN A 75 -0.755 -7.379 7.956 1.00 0.24 O ATOM 1210 CB ASN A 75 -1.433 -6.663 10.505 1.00 0.31 C ATOM 1211 CG ASN A 75 -0.985 -8.053 10.918 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -0.044 -8.615 10.359 1.00 0.41 O ATOM 1213 ND2 ASN A 75 -1.664 -8.615 11.903 1.00 0.37 N ATOM 0 H ASN A 75 -3.294 -8.560 9.861 1.00 0.18 H new ATOM 0 HA ASN A 75 -2.914 -5.666 9.362 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -0.571 -6.103 10.142 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -1.811 -6.134 11.380 1.00 0.31 H new ATOM 0 HD21 ASN A 75 -1.414 -9.549 12.227 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -2.438 -8.114 12.340 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.815 -7.069 7.115 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.454 -7.336 5.731 1.00 0.23 C ATOM 1222 C ILE A 76 -1.569 -6.204 5.176 1.00 0.21 C ATOM 1223 O ILE A 76 -1.371 -6.067 3.970 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.720 -7.530 4.867 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -3.346 -8.029 3.479 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -4.517 -6.243 4.779 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -2.722 -9.400 3.490 1.00 0.83 C ATOM 0 H ILE A 76 -3.807 -6.875 7.252 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.879 -8.261 5.694 1.00 0.23 H new ATOM 0 HB ILE A 76 -4.348 -8.282 5.345 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -4.239 -8.048 2.854 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -2.652 -7.324 3.021 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -5.403 -6.405 4.166 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.820 -5.933 5.779 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.902 -5.464 4.329 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -2.479 -9.697 2.470 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -1.812 -9.381 4.089 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -3.423 -10.116 3.919 1.00 0.83 H new ATOM 1239 N ARG A 77 -1.036 -5.395 6.095 1.00 0.20 N ATOM 1240 CA ARG A 77 0.007 -4.432 5.790 1.00 0.19 C ATOM 1241 C ARG A 77 -0.541 -3.295 4.943 1.00 0.16 C ATOM 1242 O ARG A 77 0.077 -2.875 3.967 1.00 0.16 O ATOM 1243 CB ARG A 77 1.159 -5.147 5.080 1.00 0.26 C ATOM 1244 CG ARG A 77 1.628 -6.389 5.824 1.00 0.31 C ATOM 1245 CD ARG A 77 2.700 -6.073 6.847 1.00 0.39 C ATOM 1246 NE ARG A 77 4.033 -6.210 6.271 1.00 0.74 N ATOM 1247 CZ ARG A 77 5.156 -5.910 6.916 1.00 1.32 C ATOM 1248 NH1 ARG A 77 5.109 -5.425 8.150 1.00 1.92 N ATOM 1249 NH2 ARG A 77 6.326 -6.112 6.328 1.00 1.62 N ATOM 0 H ARG A 77 -1.322 -5.395 7.074 1.00 0.20 H new ATOM 0 HA ARG A 77 0.380 -3.995 6.717 1.00 0.19 H new ATOM 0 HB2 ARG A 77 0.842 -5.428 4.076 1.00 0.26 H new ATOM 0 HB3 ARG A 77 1.996 -4.457 4.969 1.00 0.26 H new ATOM 0 HG2 ARG A 77 0.778 -6.854 6.323 1.00 0.31 H new ATOM 0 HG3 ARG A 77 2.014 -7.115 5.108 1.00 0.31 H new ATOM 0 HD2 ARG A 77 2.564 -5.057 7.219 1.00 0.39 H new ATOM 0 HD3 ARG A 77 2.599 -6.742 7.702 1.00 0.39 H new ATOM 0 HE ARG A 77 4.108 -6.557 5.315 1.00 0.74 H new ATOM 0 HH11 ARG A 77 4.209 -5.281 8.607 1.00 1.92 H new ATOM 0 HH12 ARG A 77 5.973 -5.196 8.641 1.00 1.92 H new ATOM 0 HH21 ARG A 77 6.363 -6.496 5.384 1.00 1.62 H new ATOM 0 HH22 ARG A 77 7.190 -5.883 6.819 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.707 -2.798 5.337 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.366 -1.724 4.602 1.00 0.17 C ATOM 1265 C VAL A 78 -1.702 -0.360 4.841 1.00 0.16 C ATOM 1266 O VAL A 78 -1.311 -0.027 5.957 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.867 -1.629 4.961 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.529 -0.460 4.250 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.590 -2.922 4.627 1.00 0.35 C ATOM 0 H VAL A 78 -2.216 -3.121 6.160 1.00 0.17 H new ATOM 0 HA VAL A 78 -2.263 -1.977 3.547 1.00 0.17 H new ATOM 0 HB VAL A 78 -3.936 -1.461 6.036 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.584 -0.419 4.522 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -4.041 0.469 4.546 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.437 -0.591 3.172 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.644 -2.828 4.889 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.498 -3.125 3.560 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -4.147 -3.743 5.192 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.548 0.389 3.754 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.151 1.783 3.793 1.00 0.14 C ATOM 1281 C ILE A 79 -2.201 2.609 3.054 1.00 0.12 C ATOM 1282 O ILE A 79 -2.272 2.598 1.828 1.00 0.18 O ATOM 1283 CB ILE A 79 0.251 2.040 3.178 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.365 1.449 4.049 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.488 3.530 2.975 1.00 0.24 C ATOM 1286 CD1 ILE A 79 1.557 -0.039 3.880 1.00 0.45 C ATOM 0 H ILE A 79 -1.699 0.035 2.809 1.00 0.13 H new ATOM 0 HA ILE A 79 -1.084 2.077 4.840 1.00 0.14 H new ATOM 0 HB ILE A 79 0.275 1.541 2.209 1.00 0.19 H new ATOM 0 HG12 ILE A 79 2.302 1.954 3.814 1.00 0.27 H new ATOM 0 HG13 ILE A 79 1.143 1.659 5.095 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.477 3.686 2.543 1.00 0.24 H new ATOM 0 HG22 ILE A 79 -0.269 3.930 2.301 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.427 4.042 3.935 1.00 0.24 H new ATOM 0 HD11 ILE A 79 2.363 -0.378 4.531 1.00 0.45 H new ATOM 0 HD12 ILE A 79 0.635 -0.557 4.144 1.00 0.45 H new ATOM 0 HD13 ILE A 79 1.812 -0.258 2.843 1.00 0.45 H new ATOM 1298 N ILE A 80 -3.046 3.288 3.801 1.00 0.13 N ATOM 1299 CA ILE A 80 -4.137 4.048 3.206 1.00 0.15 C ATOM 1300 C ILE A 80 -3.736 5.498 2.952 1.00 0.16 C ATOM 1301 O ILE A 80 -3.387 6.237 3.868 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.413 3.966 4.070 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.350 5.159 3.816 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -5.053 3.851 5.544 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.495 5.229 4.794 1.00 0.22 C ATOM 0 H ILE A 80 -3.003 3.332 4.819 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.360 3.596 2.240 1.00 0.15 H new ATOM 0 HB ILE A 80 -5.955 3.066 3.779 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.775 6.083 3.872 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.748 5.092 2.804 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.965 3.794 6.138 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.459 2.951 5.704 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.477 4.725 5.847 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -8.119 6.092 4.562 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -8.091 4.319 4.722 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -7.103 5.327 5.806 1.00 0.22 H new ATOM 1317 N MET A 81 -3.770 5.887 1.694 1.00 0.21 N ATOM 1318 CA MET A 81 -3.376 7.218 1.290 1.00 0.23 C ATOM 1319 C MET A 81 -4.548 8.189 1.376 1.00 0.20 C ATOM 1320 O MET A 81 -5.695 7.820 1.143 1.00 0.23 O ATOM 1321 CB MET A 81 -2.811 7.161 -0.124 1.00 0.32 C ATOM 1322 CG MET A 81 -1.630 6.214 -0.236 1.00 0.38 C ATOM 1323 SD MET A 81 -0.974 6.092 -1.913 1.00 0.63 S ATOM 1324 CE MET A 81 -0.628 7.808 -2.284 1.00 1.09 C ATOM 0 H MET A 81 -4.071 5.289 0.925 1.00 0.21 H new ATOM 0 HA MET A 81 -2.607 7.586 1.969 1.00 0.23 H new ATOM 0 HB2 MET A 81 -3.594 6.844 -0.813 1.00 0.32 H new ATOM 0 HB3 MET A 81 -2.502 8.161 -0.430 1.00 0.32 H new ATOM 0 HG2 MET A 81 -0.838 6.550 0.434 1.00 0.38 H new ATOM 0 HG3 MET A 81 -1.934 5.223 0.102 1.00 0.38 H new ATOM 0 HE1 MET A 81 0.003 7.868 -3.171 1.00 1.09 H new ATOM 0 HE2 MET A 81 -1.564 8.336 -2.467 1.00 1.09 H new ATOM 0 HE3 MET A 81 -0.112 8.266 -1.440 1.00 1.09 H new ATOM 1334 N THR A 82 -4.244 9.423 1.749 1.00 0.20 N ATOM 1335 CA THR A 82 -5.252 10.456 1.949 1.00 0.20 C ATOM 1336 C THR A 82 -4.824 11.744 1.264 1.00 0.19 C ATOM 1337 O THR A 82 -3.784 11.785 0.620 1.00 0.20 O ATOM 1338 CB THR A 82 -5.443 10.736 3.444 1.00 0.29 C ATOM 1339 OG1 THR A 82 -4.219 11.236 4.002 1.00 0.82 O ATOM 1340 CG2 THR A 82 -5.865 9.485 4.196 1.00 0.53 C ATOM 0 H THR A 82 -3.289 9.738 1.922 1.00 0.20 H new ATOM 0 HA THR A 82 -6.190 10.101 1.521 1.00 0.20 H new ATOM 0 HB THR A 82 -6.234 11.479 3.547 1.00 0.29 H new ATOM 0 HG1 THR A 82 -3.499 10.591 3.842 1.00 0.82 H new ATOM 0 HG21 THR A 82 -5.991 9.721 5.253 1.00 0.53 H new ATOM 0 HG22 THR A 82 -6.808 9.118 3.791 1.00 0.53 H new ATOM 0 HG23 THR A 82 -5.099 8.718 4.084 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.603 12.803 1.429 1.00 0.25 N ATOM 1349 CA ALA A 83 -5.234 14.117 0.905 1.00 0.25 C ATOM 1350 C ALA A 83 -4.245 14.811 1.839 1.00 0.28 C ATOM 1351 O ALA A 83 -4.219 16.037 1.921 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.475 14.977 0.732 1.00 0.31 C ATOM 0 H ALA A 83 -6.496 12.782 1.921 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.757 13.979 -0.065 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -6.189 15.954 0.341 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -7.159 14.493 0.035 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.968 15.102 1.696 1.00 0.31 H new ATOM 1358 N TYR A 84 -3.445 14.005 2.543 1.00 0.45 N ATOM 1359 CA TYR A 84 -2.475 14.476 3.541 1.00 0.45 C ATOM 1360 C TYR A 84 -3.171 14.995 4.796 1.00 0.61 C ATOM 1361 O TYR A 84 -2.658 14.861 5.907 1.00 1.31 O ATOM 1362 CB TYR A 84 -1.535 15.540 2.958 1.00 0.47 C ATOM 1363 CG TYR A 84 -0.511 16.045 3.947 1.00 0.94 C ATOM 1364 CD1 TYR A 84 0.478 15.202 4.436 1.00 1.82 C ATOM 1365 CD2 TYR A 84 -0.540 17.356 4.405 1.00 0.98 C ATOM 1366 CE1 TYR A 84 1.410 15.650 5.349 1.00 2.58 C ATOM 1367 CE2 TYR A 84 0.388 17.812 5.319 1.00 1.61 C ATOM 1368 CZ TYR A 84 1.361 16.954 5.789 1.00 2.42 C ATOM 1369 OH TYR A 84 2.283 17.402 6.705 1.00 3.19 O ATOM 0 H TYR A 84 -3.452 12.991 2.435 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.868 13.617 3.826 1.00 0.45 H new ATOM 0 HB2 TYR A 84 -1.019 15.123 2.093 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -2.129 16.381 2.600 1.00 0.47 H new ATOM 0 HD1 TYR A 84 0.518 14.178 4.096 1.00 1.82 H new ATOM 0 HD2 TYR A 84 -1.301 18.030 4.040 1.00 0.98 H new ATOM 0 HE1 TYR A 84 2.174 14.981 5.717 1.00 2.58 H new ATOM 0 HE2 TYR A 84 0.353 18.835 5.664 1.00 1.61 H new ATOM 0 HH TYR A 84 2.110 18.345 6.909 1.00 3.19 H new ATOM 1379 N GLY A 85 -4.342 15.563 4.612 1.00 0.56 N ATOM 1380 CA GLY A 85 -5.109 16.074 5.726 1.00 0.62 C ATOM 1381 C GLY A 85 -6.557 15.659 5.642 1.00 0.62 C ATOM 1382 O GLY A 85 -7.422 16.254 6.281 1.00 0.75 O ATOM 0 H GLY A 85 -4.784 15.683 3.701 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -4.680 15.712 6.660 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -5.042 17.162 5.745 1.00 0.62 H new ATOM 1386 N GLU A 86 -6.824 14.637 4.841 1.00 0.51 N ATOM 1387 CA GLU A 86 -8.172 14.101 4.721 1.00 0.53 C ATOM 1388 C GLU A 86 -8.478 13.212 5.922 1.00 0.51 C ATOM 1389 O GLU A 86 -9.159 13.633 6.851 1.00 0.59 O ATOM 1390 CB GLU A 86 -8.320 13.313 3.421 1.00 0.51 C ATOM 1391 CG GLU A 86 -9.712 12.751 3.194 1.00 0.59 C ATOM 1392 CD GLU A 86 -10.749 13.826 2.976 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -10.955 14.237 1.815 1.00 1.12 O ATOM 1394 OE2 GLU A 86 -11.360 14.270 3.970 1.00 0.95 O ATOM 0 H GLU A 86 -6.127 14.164 4.266 1.00 0.51 H new ATOM 0 HA GLU A 86 -8.883 14.927 4.700 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -8.060 13.961 2.584 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -7.604 12.492 3.423 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -9.695 12.089 2.329 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -9.999 12.145 4.053 1.00 0.59 H new ATOM 1401 N LEU A 87 -7.936 11.993 5.891 1.00 0.42 N ATOM 1402 CA LEU A 87 -8.056 11.044 6.997 1.00 0.42 C ATOM 1403 C LEU A 87 -9.507 10.903 7.471 1.00 0.49 C ATOM 1404 O LEU A 87 -9.843 11.266 8.598 1.00 0.63 O ATOM 1405 CB LEU A 87 -7.139 11.444 8.166 1.00 0.45 C ATOM 1406 CG LEU A 87 -5.628 11.344 7.894 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -5.140 12.497 7.030 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -4.854 11.298 9.202 1.00 0.52 C ATOM 0 H LEU A 87 -7.402 11.637 5.098 1.00 0.42 H new ATOM 0 HA LEU A 87 -7.736 10.071 6.625 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -7.371 12.470 8.451 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -7.378 10.814 9.023 1.00 0.45 H new ATOM 0 HG LEU A 87 -5.450 10.418 7.346 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -4.069 12.395 6.858 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -5.664 12.483 6.074 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -5.337 13.441 7.538 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -3.787 11.227 8.991 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -5.052 12.205 9.774 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -5.168 10.429 9.780 1.00 0.52 H new ATOM 1420 N ASP A 88 -10.355 10.362 6.595 1.00 0.60 N ATOM 1421 CA ASP A 88 -11.790 10.234 6.869 1.00 0.71 C ATOM 1422 C ASP A 88 -12.046 9.301 8.046 1.00 0.77 C ATOM 1423 O ASP A 88 -12.187 9.731 9.189 1.00 1.71 O ATOM 1424 CB ASP A 88 -12.521 9.704 5.632 1.00 0.91 C ATOM 1425 CG ASP A 88 -14.028 9.818 5.753 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -14.554 10.946 5.670 1.00 1.18 O ATOM 1427 OD2 ASP A 88 -14.693 8.775 5.941 1.00 1.52 O ATOM 0 H ASP A 88 -10.072 10.003 5.683 1.00 0.60 H new ATOM 0 HA ASP A 88 -12.169 11.224 7.121 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -12.188 10.256 4.753 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -12.251 8.660 5.474 1.00 0.91 H new ATOM 1432 N MET A 89 -12.078 8.017 7.750 1.00 0.63 N ATOM 1433 CA MET A 89 -12.253 6.989 8.753 1.00 0.55 C ATOM 1434 C MET A 89 -10.896 6.328 8.995 1.00 0.45 C ATOM 1435 O MET A 89 -10.784 5.153 9.367 1.00 0.47 O ATOM 1436 CB MET A 89 -13.302 5.998 8.265 1.00 0.73 C ATOM 1437 CG MET A 89 -13.911 5.159 9.366 1.00 0.82 C ATOM 1438 SD MET A 89 -14.909 6.110 10.538 1.00 1.55 S ATOM 1439 CE MET A 89 -13.655 6.779 11.631 1.00 2.18 C ATOM 0 H MET A 89 -11.983 7.657 6.801 1.00 0.63 H new ATOM 0 HA MET A 89 -12.607 7.401 9.698 1.00 0.55 H new ATOM 0 HB2 MET A 89 -14.096 6.545 7.757 1.00 0.73 H new ATOM 0 HB3 MET A 89 -12.848 5.337 7.527 1.00 0.73 H new ATOM 0 HG2 MET A 89 -14.533 4.384 8.918 1.00 0.82 H new ATOM 0 HG3 MET A 89 -13.113 4.653 9.909 1.00 0.82 H new ATOM 0 HE1 MET A 89 -13.967 6.646 12.667 1.00 2.18 H new ATOM 0 HE2 MET A 89 -12.712 6.257 11.466 1.00 2.18 H new ATOM 0 HE3 MET A 89 -13.522 7.841 11.425 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.866 7.153 8.802 1.00 0.37 N ATOM 1450 CA ILE A 90 -8.469 6.741 8.865 1.00 0.31 C ATOM 1451 C ILE A 90 -8.132 6.058 10.188 1.00 0.27 C ATOM 1452 O ILE A 90 -7.339 5.123 10.221 1.00 0.27 O ATOM 1453 CB ILE A 90 -7.539 7.975 8.651 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -6.562 7.727 7.498 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -6.773 8.349 9.924 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.617 6.570 7.736 1.00 0.42 C ATOM 0 H ILE A 90 -9.985 8.144 8.594 1.00 0.37 H new ATOM 0 HA ILE A 90 -8.305 6.015 8.069 1.00 0.31 H new ATOM 0 HB ILE A 90 -8.182 8.817 8.395 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -7.130 7.538 6.587 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -5.978 8.632 7.328 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -6.139 9.213 9.726 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -7.481 8.592 10.716 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -6.153 7.508 10.236 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -4.957 6.457 6.876 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -5.021 6.764 8.628 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -6.191 5.654 7.876 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.748 6.523 11.265 1.00 0.29 N ATOM 1469 CA GLN A 91 -8.389 6.077 12.602 1.00 0.31 C ATOM 1470 C GLN A 91 -8.579 4.575 12.769 1.00 0.31 C ATOM 1471 O GLN A 91 -7.653 3.879 13.191 1.00 0.32 O ATOM 1472 CB GLN A 91 -9.182 6.856 13.641 1.00 0.39 C ATOM 1473 CG GLN A 91 -8.778 8.321 13.703 1.00 0.45 C ATOM 1474 CD GLN A 91 -9.777 9.186 14.443 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -10.979 8.931 14.413 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -9.282 10.211 15.119 1.00 2.10 N ATOM 0 H GLN A 91 -9.501 7.211 11.238 1.00 0.29 H new ATOM 0 HA GLN A 91 -7.328 6.276 12.753 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -10.245 6.785 13.411 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -9.037 6.401 14.621 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -7.806 8.403 14.190 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -8.659 8.701 12.688 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -8.277 10.386 15.117 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -9.905 10.826 15.642 1.00 2.10 H new ATOM 1485 N GLU A 92 -9.750 4.061 12.415 1.00 0.38 N ATOM 1486 CA GLU A 92 -9.960 2.625 12.481 1.00 0.42 C ATOM 1487 C GLU A 92 -9.197 1.937 11.373 1.00 0.34 C ATOM 1488 O GLU A 92 -8.569 0.910 11.593 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.428 2.244 12.405 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.235 2.951 11.341 1.00 0.64 C ATOM 1491 CD GLU A 92 -13.658 2.439 11.298 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -13.908 1.442 10.599 1.00 1.73 O ATOM 1493 OE2 GLU A 92 -14.535 3.044 11.951 1.00 1.52 O ATOM 0 H GLU A 92 -10.549 4.603 12.087 1.00 0.38 H new ATOM 0 HA GLU A 92 -9.589 2.295 13.451 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -11.497 1.170 12.233 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -11.886 2.442 13.374 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -12.238 4.023 11.537 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -11.765 2.806 10.369 1.00 0.64 H new ATOM 1500 N SER A 93 -9.264 2.520 10.186 1.00 0.32 N ATOM 1501 CA SER A 93 -8.526 2.022 9.027 1.00 0.27 C ATOM 1502 C SER A 93 -7.075 1.659 9.387 1.00 0.21 C ATOM 1503 O SER A 93 -6.583 0.600 9.001 1.00 0.22 O ATOM 1504 CB SER A 93 -8.547 3.061 7.909 1.00 0.33 C ATOM 1505 OG SER A 93 -7.975 2.557 6.715 1.00 0.98 O ATOM 0 H SER A 93 -9.828 3.348 9.995 1.00 0.32 H new ATOM 0 HA SER A 93 -9.018 1.111 8.685 1.00 0.27 H new ATOM 0 HB2 SER A 93 -9.575 3.370 7.718 1.00 0.33 H new ATOM 0 HB3 SER A 93 -8.001 3.949 8.227 1.00 0.33 H new ATOM 0 HG SER A 93 -8.479 1.771 6.417 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.406 2.531 10.142 1.00 0.21 N ATOM 1512 CA LYS A 94 -5.012 2.305 10.527 1.00 0.21 C ATOM 1513 C LYS A 94 -4.893 1.367 11.735 1.00 0.25 C ATOM 1514 O LYS A 94 -4.031 0.492 11.755 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.310 3.635 10.815 1.00 0.23 C ATOM 1516 CG LYS A 94 -4.933 4.432 11.936 1.00 0.30 C ATOM 1517 CD LYS A 94 -4.197 5.737 12.174 1.00 0.43 C ATOM 1518 CE LYS A 94 -2.762 5.487 12.594 1.00 0.65 C ATOM 1519 NZ LYS A 94 -2.071 6.742 12.986 1.00 1.25 N ATOM 0 H LYS A 94 -6.806 3.399 10.499 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.520 1.819 9.685 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.267 3.437 11.061 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.314 4.240 9.908 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -5.976 4.641 11.698 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -4.927 3.839 12.851 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -4.213 6.338 11.265 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.710 6.312 12.945 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -2.745 4.788 13.430 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -2.221 5.016 11.773 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -1.093 6.527 13.266 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -2.064 7.400 12.181 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -2.572 7.179 13.786 1.00 1.25 H new ATOM 1533 N GLU A 95 -5.763 1.532 12.736 1.00 0.30 N ATOM 1534 CA GLU A 95 -5.652 0.744 13.967 1.00 0.44 C ATOM 1535 C GLU A 95 -6.080 -0.702 13.748 1.00 0.51 C ATOM 1536 O GLU A 95 -5.626 -1.607 14.448 1.00 0.66 O ATOM 1537 CB GLU A 95 -6.498 1.345 15.088 1.00 0.49 C ATOM 1538 CG GLU A 95 -7.994 1.288 14.831 1.00 0.44 C ATOM 1539 CD GLU A 95 -8.805 1.675 16.046 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -8.570 2.766 16.597 1.00 0.85 O ATOM 1541 OE2 GLU A 95 -9.670 0.880 16.469 1.00 0.67 O ATOM 0 H GLU A 95 -6.540 2.193 12.720 1.00 0.30 H new ATOM 0 HA GLU A 95 -4.601 0.765 14.255 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -6.279 0.818 16.017 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -6.204 2.384 15.234 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -8.243 1.954 14.005 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -8.268 0.279 14.521 1.00 0.44 H new ATOM 1548 N LEU A 96 -6.960 -0.903 12.779 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.552 -2.205 12.515 1.00 0.64 C ATOM 1550 C LEU A 96 -6.501 -3.252 12.182 1.00 0.93 C ATOM 1551 O LEU A 96 -6.630 -4.412 12.564 1.00 1.73 O ATOM 1552 CB LEU A 96 -8.563 -2.079 11.375 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.019 -2.349 11.759 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -10.246 -2.099 13.244 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -10.952 -1.472 10.947 1.00 0.40 C ATOM 0 H LEU A 96 -7.284 -0.166 12.152 1.00 0.51 H new ATOM 0 HA LEU A 96 -8.058 -2.539 13.421 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.494 -1.073 10.960 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -8.279 -2.771 10.582 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.232 -3.396 11.544 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -11.289 -2.298 13.491 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.603 -2.759 13.826 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -10.009 -1.061 13.479 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -11.984 -1.677 11.232 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -10.724 -0.423 11.138 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -10.820 -1.685 9.886 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.455 -2.839 11.493 1.00 0.54 N ATOM 1568 CA GLY A 97 -4.429 -3.779 11.105 1.00 0.69 C ATOM 1569 C GLY A 97 -3.472 -3.200 10.092 1.00 0.61 C ATOM 1570 O GLY A 97 -2.339 -3.664 9.957 1.00 0.88 O ATOM 0 H GLY A 97 -5.297 -1.876 11.196 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -3.873 -4.091 11.989 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -4.896 -4.672 10.690 1.00 0.69 H new ATOM 1574 N ALA A 98 -3.946 -2.201 9.365 1.00 0.32 N ATOM 1575 CA ALA A 98 -3.123 -1.470 8.413 1.00 0.27 C ATOM 1576 C ALA A 98 -1.809 -1.035 9.045 1.00 0.19 C ATOM 1577 O ALA A 98 -1.774 -0.617 10.204 1.00 0.22 O ATOM 1578 CB ALA A 98 -3.878 -0.256 7.897 1.00 0.26 C ATOM 0 H ALA A 98 -4.911 -1.874 9.418 1.00 0.32 H new ATOM 0 HA ALA A 98 -2.896 -2.135 7.580 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -3.254 0.285 7.185 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.794 -0.580 7.404 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -4.128 0.399 8.732 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.733 -1.148 8.286 1.00 0.18 N ATOM 1585 CA LEU A 99 0.575 -0.738 8.770 1.00 0.23 C ATOM 1586 C LEU A 99 0.592 0.757 9.036 1.00 0.26 C ATOM 1587 O LEU A 99 1.082 1.204 10.072 1.00 0.39 O ATOM 1588 CB LEU A 99 1.681 -1.087 7.770 1.00 0.51 C ATOM 1589 CG LEU A 99 1.955 -2.566 7.560 1.00 0.60 C ATOM 1590 CD1 LEU A 99 3.137 -2.726 6.619 1.00 1.27 C ATOM 1591 CD2 LEU A 99 2.229 -3.256 8.890 1.00 1.26 C ATOM 0 H LEU A 99 -0.738 -1.519 7.336 1.00 0.18 H new ATOM 0 HA LEU A 99 0.765 -1.280 9.696 1.00 0.23 H new ATOM 0 HB2 LEU A 99 1.423 -0.647 6.807 1.00 0.51 H new ATOM 0 HB3 LEU A 99 2.604 -0.611 8.101 1.00 0.51 H new ATOM 0 HG LEU A 99 1.077 -3.035 7.117 1.00 0.60 H new ATOM 0 HD11 LEU A 99 3.338 -3.786 6.465 1.00 1.27 H new ATOM 0 HD12 LEU A 99 2.906 -2.257 5.662 1.00 1.27 H new ATOM 0 HD13 LEU A 99 4.016 -2.250 7.054 1.00 1.27 H new ATOM 0 HD21 LEU A 99 2.423 -4.315 8.718 1.00 1.26 H new ATOM 0 HD22 LEU A 99 3.098 -2.800 9.364 1.00 1.26 H new ATOM 0 HD23 LEU A 99 1.362 -3.147 9.542 1.00 1.26 H new ATOM 1603 N THR A 100 0.045 1.532 8.107 1.00 0.23 N ATOM 1604 CA THR A 100 0.060 2.978 8.247 1.00 0.28 C ATOM 1605 C THR A 100 -0.753 3.640 7.133 1.00 0.24 C ATOM 1606 O THR A 100 -1.546 2.988 6.453 1.00 0.25 O ATOM 1607 CB THR A 100 1.521 3.510 8.254 1.00 0.36 C ATOM 1608 OG1 THR A 100 1.561 4.900 8.615 1.00 0.42 O ATOM 1609 CG2 THR A 100 2.189 3.312 6.898 1.00 0.34 C ATOM 0 H THR A 100 -0.408 1.187 7.261 1.00 0.23 H new ATOM 0 HA THR A 100 -0.402 3.234 9.200 1.00 0.28 H new ATOM 0 HB THR A 100 2.070 2.935 9.000 1.00 0.36 H new ATOM 0 HG1 THR A 100 0.852 5.090 9.264 1.00 0.42 H new ATOM 0 HG21 THR A 100 3.209 3.694 6.936 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.208 2.250 6.653 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.628 3.850 6.134 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.570 4.938 6.971 1.00 0.29 N ATOM 1618 CA HIS A 101 -1.268 5.692 5.952 1.00 0.28 C ATOM 1619 C HIS A 101 -0.273 6.500 5.121 1.00 0.27 C ATOM 1620 O HIS A 101 0.854 6.738 5.552 1.00 0.35 O ATOM 1621 CB HIS A 101 -2.304 6.627 6.599 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.748 7.934 7.091 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -1.837 9.102 6.362 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -1.097 8.258 8.235 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -1.265 10.083 7.034 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -0.807 9.601 8.172 1.00 0.92 N ATOM 0 H HIS A 101 0.065 5.496 7.542 1.00 0.29 H new ATOM 0 HA HIS A 101 -1.789 4.995 5.295 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -3.091 6.832 5.874 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -2.770 6.107 7.436 1.00 0.32 H new ATOM 0 HD1 HIS A 101 -2.277 9.193 5.446 1.00 1.12 H new ATOM 0 HD2 HIS A 101 -0.852 7.587 9.045 1.00 1.14 H new ATOM 0 HE1 HIS A 101 -1.185 11.109 6.706 1.00 0.93 H new ATOM 1635 N PHE A 102 -0.696 6.928 3.943 1.00 0.25 N ATOM 1636 CA PHE A 102 0.112 7.812 3.118 1.00 0.24 C ATOM 1637 C PHE A 102 -0.728 8.978 2.638 1.00 0.20 C ATOM 1638 O PHE A 102 -1.803 9.253 3.187 1.00 0.21 O ATOM 1639 CB PHE A 102 0.737 7.072 1.933 1.00 0.30 C ATOM 1640 CG PHE A 102 2.222 7.281 1.843 1.00 0.54 C ATOM 1641 CD1 PHE A 102 2.740 8.462 1.333 1.00 0.99 C ATOM 1642 CD2 PHE A 102 3.099 6.304 2.280 1.00 0.85 C ATOM 1643 CE1 PHE A 102 4.105 8.661 1.260 1.00 1.33 C ATOM 1644 CE2 PHE A 102 4.464 6.497 2.208 1.00 1.13 C ATOM 1645 CZ PHE A 102 4.967 7.677 1.698 1.00 1.29 C ATOM 0 H PHE A 102 -1.597 6.677 3.535 1.00 0.25 H new ATOM 0 HA PHE A 102 0.932 8.188 3.730 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.528 6.006 2.023 1.00 0.30 H new ATOM 0 HB3 PHE A 102 0.269 7.411 1.009 1.00 0.30 H new ATOM 0 HD1 PHE A 102 2.069 9.235 0.989 1.00 0.99 H new ATOM 0 HD2 PHE A 102 2.711 5.380 2.682 1.00 0.85 H new ATOM 0 HE1 PHE A 102 4.497 9.585 0.861 1.00 1.33 H new ATOM 0 HE2 PHE A 102 5.138 5.725 2.550 1.00 1.13 H new ATOM 0 HZ PHE A 102 6.035 7.830 1.642 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.239 9.667 1.632 1.00 0.22 N ATOM 1656 CA ALA A 103 -0.929 10.815 1.093 1.00 0.23 C ATOM 1657 C ALA A 103 -0.807 10.836 -0.417 1.00 0.31 C ATOM 1658 O ALA A 103 0.289 10.703 -0.954 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.377 12.100 1.696 1.00 0.34 C ATOM 0 H ALA A 103 0.642 9.449 1.167 1.00 0.22 H new ATOM 0 HA ALA A 103 -1.985 10.743 1.354 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -0.908 12.955 1.279 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.512 12.082 2.777 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.685 12.184 1.464 1.00 0.34 H new ATOM 1665 N LYS A 104 -1.941 10.974 -1.084 1.00 0.26 N ATOM 1666 CA LYS A 104 -1.985 11.113 -2.533 1.00 0.33 C ATOM 1667 C LYS A 104 -1.059 12.263 -2.977 1.00 0.40 C ATOM 1668 O LYS A 104 -0.288 12.107 -3.922 1.00 0.51 O ATOM 1669 CB LYS A 104 -3.443 11.342 -2.976 1.00 0.32 C ATOM 1670 CG LYS A 104 -3.675 11.304 -4.472 1.00 0.53 C ATOM 1671 CD LYS A 104 -3.261 9.965 -5.059 1.00 0.93 C ATOM 1672 CE LYS A 104 -3.899 9.732 -6.414 1.00 1.15 C ATOM 1673 NZ LYS A 104 -5.365 9.505 -6.300 1.00 2.18 N ATOM 0 H LYS A 104 -2.858 10.993 -0.638 1.00 0.26 H new ATOM 0 HA LYS A 104 -1.625 10.202 -3.011 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.072 10.585 -2.507 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -3.773 12.309 -2.597 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -4.728 11.487 -4.684 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -3.110 12.104 -4.951 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -2.176 9.929 -5.155 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -3.548 9.164 -4.378 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -3.713 10.592 -7.057 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -3.433 8.870 -6.892 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -5.759 9.299 -7.240 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -5.543 8.700 -5.666 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -5.819 10.357 -5.914 1.00 2.18 H new ATOM 1687 N PRO A 105 -1.159 13.445 -2.323 1.00 0.39 N ATOM 1688 CA PRO A 105 -0.187 14.540 -2.446 1.00 0.50 C ATOM 1689 C PRO A 105 1.288 14.109 -2.453 1.00 0.66 C ATOM 1690 O PRO A 105 2.090 14.633 -3.232 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.433 15.374 -1.184 1.00 0.51 C ATOM 1692 CG PRO A 105 -1.697 14.873 -0.557 1.00 0.60 C ATOM 1693 CD PRO A 105 -2.294 13.871 -1.492 1.00 0.35 C ATOM 0 HA PRO A 105 -0.333 15.048 -3.399 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.403 15.278 -0.491 1.00 0.51 H new ATOM 0 HB3 PRO A 105 -0.521 16.431 -1.434 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -1.491 14.418 0.412 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -2.391 15.695 -0.382 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -2.731 13.031 -0.952 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -3.088 14.311 -2.095 1.00 0.35 H new ATOM 1701 N PHE A 106 1.640 13.182 -1.566 1.00 0.50 N ATOM 1702 CA PHE A 106 3.044 12.838 -1.313 1.00 0.65 C ATOM 1703 C PHE A 106 3.748 12.169 -2.497 1.00 0.35 C ATOM 1704 O PHE A 106 3.183 12.015 -3.579 1.00 0.68 O ATOM 1705 CB PHE A 106 3.168 11.965 -0.080 1.00 1.19 C ATOM 1706 CG PHE A 106 3.797 12.679 1.081 1.00 2.49 C ATOM 1707 CD1 PHE A 106 5.168 12.856 1.150 1.00 3.00 C ATOM 1708 CD2 PHE A 106 3.008 13.166 2.110 1.00 3.26 C ATOM 1709 CE1 PHE A 106 5.742 13.502 2.227 1.00 4.24 C ATOM 1710 CE2 PHE A 106 3.576 13.815 3.190 1.00 4.50 C ATOM 1711 CZ PHE A 106 4.973 14.016 3.212 1.00 4.99 C ATOM 0 H PHE A 106 0.972 12.651 -1.006 1.00 0.50 H new ATOM 0 HA PHE A 106 3.551 13.789 -1.151 1.00 0.65 H new ATOM 0 HB2 PHE A 106 2.178 11.612 0.210 1.00 1.19 H new ATOM 0 HB3 PHE A 106 3.762 11.084 -0.323 1.00 1.19 H new ATOM 0 HD1 PHE A 106 5.795 12.485 0.353 1.00 3.00 H new ATOM 0 HD2 PHE A 106 1.937 13.037 2.068 1.00 3.26 H new ATOM 0 HE1 PHE A 106 6.816 13.597 2.283 1.00 4.24 H new ATOM 0 HE2 PHE A 106 2.960 14.163 4.006 1.00 4.50 H new ATOM 0 HZ PHE A 106 5.426 14.579 4.014 1.00 4.99 H new ATOM 1721 N ASP A 107 5.004 11.775 -2.263 1.00 0.40 N ATOM 1722 CA ASP A 107 5.874 11.271 -3.323 1.00 0.37 C ATOM 1723 C ASP A 107 5.578 9.827 -3.662 1.00 0.47 C ATOM 1724 O ASP A 107 4.772 9.166 -3.015 1.00 0.66 O ATOM 1725 CB ASP A 107 7.345 11.358 -2.914 1.00 0.45 C ATOM 1726 CG ASP A 107 8.252 11.695 -4.079 1.00 1.16 C ATOM 1727 OD1 ASP A 107 8.544 10.785 -4.884 1.00 1.67 O ATOM 1728 OD2 ASP A 107 8.691 12.859 -4.182 1.00 1.63 O ATOM 0 H ASP A 107 5.440 11.797 -1.341 1.00 0.40 H new ATOM 0 HA ASP A 107 5.681 11.897 -4.194 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.459 12.115 -2.138 1.00 0.45 H new ATOM 0 HB3 ASP A 107 7.655 10.408 -2.480 1.00 0.45 H new ATOM 1733 N ILE A 108 6.272 9.356 -4.675 1.00 0.48 N ATOM 1734 CA ILE A 108 6.242 7.962 -5.066 1.00 0.58 C ATOM 1735 C ILE A 108 7.521 7.299 -4.588 1.00 0.50 C ATOM 1736 O ILE A 108 7.519 6.173 -4.092 1.00 0.44 O ATOM 1737 CB ILE A 108 6.145 7.804 -6.596 1.00 0.75 C ATOM 1738 CG1 ILE A 108 5.128 8.794 -7.172 1.00 0.70 C ATOM 1739 CG2 ILE A 108 5.759 6.373 -6.948 1.00 1.04 C ATOM 1740 CD1 ILE A 108 4.945 8.683 -8.673 1.00 1.13 C ATOM 0 H ILE A 108 6.879 9.934 -5.256 1.00 0.48 H new ATOM 0 HA ILE A 108 5.363 7.497 -4.618 1.00 0.58 H new ATOM 0 HB ILE A 108 7.119 8.021 -7.035 1.00 0.75 H new ATOM 0 HG12 ILE A 108 4.165 8.635 -6.686 1.00 0.70 H new ATOM 0 HG13 ILE A 108 5.445 9.808 -6.928 1.00 0.70 H new ATOM 0 HG21 ILE A 108 5.693 6.270 -8.031 1.00 1.04 H new ATOM 0 HG22 ILE A 108 6.514 5.687 -6.564 1.00 1.04 H new ATOM 0 HG23 ILE A 108 4.793 6.136 -6.501 1.00 1.04 H new ATOM 0 HD11 ILE A 108 4.210 9.416 -9.005 1.00 1.13 H new ATOM 0 HD12 ILE A 108 5.896 8.872 -9.170 1.00 1.13 H new ATOM 0 HD13 ILE A 108 4.597 7.681 -8.924 1.00 1.13 H new ATOM 1752 N ASP A 109 8.607 8.044 -4.705 1.00 0.49 N ATOM 1753 CA ASP A 109 9.914 7.598 -4.255 1.00 0.42 C ATOM 1754 C ASP A 109 9.887 7.417 -2.753 1.00 0.34 C ATOM 1755 O ASP A 109 10.456 6.464 -2.222 1.00 0.30 O ATOM 1756 CB ASP A 109 10.961 8.638 -4.660 1.00 0.46 C ATOM 1757 CG ASP A 109 12.370 8.288 -4.222 1.00 0.98 C ATOM 1758 OD1 ASP A 109 12.729 8.570 -3.059 1.00 0.89 O ATOM 1759 OD2 ASP A 109 13.139 7.764 -5.054 1.00 1.88 O ATOM 0 H ASP A 109 8.607 8.978 -5.116 1.00 0.49 H new ATOM 0 HA ASP A 109 10.171 6.644 -4.715 1.00 0.42 H new ATOM 0 HB2 ASP A 109 10.945 8.753 -5.744 1.00 0.46 H new ATOM 0 HB3 ASP A 109 10.686 9.602 -4.233 1.00 0.46 H new ATOM 1764 N GLU A 110 9.170 8.299 -2.068 1.00 0.35 N ATOM 1765 CA GLU A 110 9.051 8.169 -0.632 1.00 0.35 C ATOM 1766 C GLU A 110 8.012 7.102 -0.299 1.00 0.33 C ATOM 1767 O GLU A 110 7.956 6.595 0.816 1.00 0.34 O ATOM 1768 CB GLU A 110 8.702 9.510 0.007 1.00 0.49 C ATOM 1769 CG GLU A 110 8.780 9.485 1.523 1.00 0.62 C ATOM 1770 CD GLU A 110 9.074 10.845 2.111 1.00 1.15 C ATOM 1771 OE1 GLU A 110 10.210 11.337 1.950 1.00 1.71 O ATOM 1772 OE2 GLU A 110 8.157 11.432 2.730 1.00 1.68 O ATOM 0 H GLU A 110 8.675 9.092 -2.476 1.00 0.35 H new ATOM 0 HA GLU A 110 10.010 7.856 -0.220 1.00 0.35 H new ATOM 0 HB2 GLU A 110 9.380 10.274 -0.373 1.00 0.49 H new ATOM 0 HB3 GLU A 110 7.695 9.798 -0.294 1.00 0.49 H new ATOM 0 HG2 GLU A 110 7.837 9.115 1.926 1.00 0.62 H new ATOM 0 HG3 GLU A 110 9.556 8.784 1.832 1.00 0.62 H new ATOM 1779 N ILE A 111 7.218 6.734 -1.295 1.00 0.34 N ATOM 1780 CA ILE A 111 6.225 5.688 -1.131 1.00 0.33 C ATOM 1781 C ILE A 111 6.901 4.317 -1.188 1.00 0.28 C ATOM 1782 O ILE A 111 6.705 3.488 -0.300 1.00 0.27 O ATOM 1783 CB ILE A 111 5.095 5.814 -2.186 1.00 0.36 C ATOM 1784 CG1 ILE A 111 3.896 6.547 -1.583 1.00 0.61 C ATOM 1785 CG2 ILE A 111 4.673 4.465 -2.741 1.00 0.69 C ATOM 1786 CD1 ILE A 111 2.735 6.709 -2.539 1.00 1.06 C ATOM 0 H ILE A 111 7.245 7.147 -2.227 1.00 0.34 H new ATOM 0 HA ILE A 111 5.757 5.799 -0.153 1.00 0.33 H new ATOM 0 HB ILE A 111 5.488 6.392 -3.022 1.00 0.36 H new ATOM 0 HG12 ILE A 111 3.556 6.003 -0.702 1.00 0.61 H new ATOM 0 HG13 ILE A 111 4.217 7.533 -1.246 1.00 0.61 H new ATOM 0 HG21 ILE A 111 3.880 4.606 -3.475 1.00 0.69 H new ATOM 0 HG22 ILE A 111 5.527 3.984 -3.217 1.00 0.69 H new ATOM 0 HG23 ILE A 111 4.308 3.836 -1.929 1.00 0.69 H new ATOM 0 HD11 ILE A 111 1.923 7.238 -2.039 1.00 1.06 H new ATOM 0 HD12 ILE A 111 3.058 7.279 -3.410 1.00 1.06 H new ATOM 0 HD13 ILE A 111 2.386 5.727 -2.858 1.00 1.06 H new ATOM 1798 N ARG A 112 7.730 4.095 -2.212 1.00 0.27 N ATOM 1799 CA ARG A 112 8.491 2.851 -2.309 1.00 0.24 C ATOM 1800 C ARG A 112 9.472 2.753 -1.151 1.00 0.22 C ATOM 1801 O ARG A 112 9.722 1.672 -0.627 1.00 0.22 O ATOM 1802 CB ARG A 112 9.251 2.751 -3.635 1.00 0.23 C ATOM 1803 CG ARG A 112 10.203 3.904 -3.845 1.00 0.23 C ATOM 1804 CD ARG A 112 10.958 3.817 -5.156 1.00 0.23 C ATOM 1805 NE ARG A 112 12.364 3.501 -4.942 1.00 0.79 N ATOM 1806 CZ ARG A 112 13.380 4.159 -5.496 1.00 0.82 C ATOM 1807 NH1 ARG A 112 13.158 5.186 -6.297 1.00 1.16 N ATOM 1808 NH2 ARG A 112 14.625 3.771 -5.259 1.00 1.39 N ATOM 0 H ARG A 112 7.889 4.753 -2.975 1.00 0.27 H new ATOM 0 HA ARG A 112 7.781 2.025 -2.266 1.00 0.24 H new ATOM 0 HB2 ARG A 112 9.808 1.815 -3.661 1.00 0.23 H new ATOM 0 HB3 ARG A 112 8.537 2.719 -4.458 1.00 0.23 H new ATOM 0 HG2 ARG A 112 9.644 4.839 -3.815 1.00 0.23 H new ATOM 0 HG3 ARG A 112 10.917 3.933 -3.022 1.00 0.23 H new ATOM 0 HD2 ARG A 112 10.505 3.054 -5.788 1.00 0.23 H new ATOM 0 HD3 ARG A 112 10.874 4.764 -5.689 1.00 0.23 H new ATOM 0 HE ARG A 112 12.586 2.720 -4.324 1.00 0.79 H new ATOM 0 HH11 ARG A 112 12.202 5.481 -6.495 1.00 1.16 H new ATOM 0 HH12 ARG A 112 13.943 5.684 -6.717 1.00 1.16 H new ATOM 0 HH21 ARG A 112 14.803 2.970 -4.653 1.00 1.39 H new ATOM 0 HH22 ARG A 112 15.405 4.274 -5.682 1.00 1.39 H new ATOM 1822 N ASP A 113 10.015 3.895 -0.750 1.00 0.23 N ATOM 1823 CA ASP A 113 10.976 3.939 0.337 1.00 0.24 C ATOM 1824 C ASP A 113 10.318 3.560 1.662 1.00 0.25 C ATOM 1825 O ASP A 113 10.812 2.702 2.397 1.00 0.26 O ATOM 1826 CB ASP A 113 11.590 5.333 0.435 1.00 0.28 C ATOM 1827 CG ASP A 113 12.699 5.412 1.465 1.00 0.39 C ATOM 1828 OD1 ASP A 113 13.850 5.064 1.138 1.00 0.58 O ATOM 1829 OD2 ASP A 113 12.415 5.816 2.613 1.00 0.43 O ATOM 0 H ASP A 113 9.804 4.803 -1.164 1.00 0.23 H new ATOM 0 HA ASP A 113 11.764 3.215 0.128 1.00 0.24 H new ATOM 0 HB2 ASP A 113 11.984 5.622 -0.540 1.00 0.28 H new ATOM 0 HB3 ASP A 113 10.811 6.052 0.690 1.00 0.28 H new ATOM 1834 N ALA A 114 9.174 4.174 1.942 1.00 0.26 N ATOM 1835 CA ALA A 114 8.463 3.931 3.189 1.00 0.28 C ATOM 1836 C ALA A 114 7.982 2.490 3.283 1.00 0.28 C ATOM 1837 O ALA A 114 8.046 1.880 4.350 1.00 0.32 O ATOM 1838 CB ALA A 114 7.291 4.884 3.335 1.00 0.35 C ATOM 0 H ALA A 114 8.720 4.844 1.321 1.00 0.26 H new ATOM 0 HA ALA A 114 9.164 4.108 4.005 1.00 0.28 H new ATOM 0 HB1 ALA A 114 6.774 4.684 4.274 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.655 5.911 3.333 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.601 4.742 2.504 1.00 0.35 H new ATOM 1844 N VAL A 115 7.503 1.939 2.174 1.00 0.27 N ATOM 1845 CA VAL A 115 7.019 0.566 2.188 1.00 0.29 C ATOM 1846 C VAL A 115 8.177 -0.419 2.226 1.00 0.30 C ATOM 1847 O VAL A 115 8.030 -1.513 2.735 1.00 0.35 O ATOM 1848 CB VAL A 115 6.101 0.232 1.002 1.00 0.34 C ATOM 1849 CG1 VAL A 115 4.950 1.220 0.937 1.00 0.37 C ATOM 1850 CG2 VAL A 115 6.878 0.191 -0.302 1.00 0.33 C ATOM 0 H VAL A 115 7.440 2.411 1.272 1.00 0.27 H new ATOM 0 HA VAL A 115 6.423 0.472 3.096 1.00 0.29 H new ATOM 0 HB VAL A 115 5.685 -0.764 1.156 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.306 0.973 0.093 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.373 1.168 1.860 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.343 2.229 0.811 1.00 0.37 H new ATOM 0 HG21 VAL A 115 6.201 -0.048 -1.122 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.338 1.163 -0.482 1.00 0.33 H new ATOM 0 HG23 VAL A 115 7.654 -0.572 -0.239 1.00 0.33 H new ATOM 1860 N LYS A 116 9.329 -0.023 1.690 1.00 0.29 N ATOM 1861 CA LYS A 116 10.544 -0.827 1.803 1.00 0.33 C ATOM 1862 C LYS A 116 10.948 -0.905 3.270 1.00 0.32 C ATOM 1863 O LYS A 116 11.504 -1.896 3.732 1.00 0.40 O ATOM 1864 CB LYS A 116 11.673 -0.190 0.983 1.00 0.44 C ATOM 1865 CG LYS A 116 12.792 0.384 1.834 1.00 0.50 C ATOM 1866 CD LYS A 116 13.662 1.350 1.065 1.00 0.70 C ATOM 1867 CE LYS A 116 14.768 1.876 1.956 1.00 0.97 C ATOM 1868 NZ LYS A 116 15.439 3.061 1.366 1.00 1.48 N ATOM 0 H LYS A 116 9.447 0.849 1.174 1.00 0.29 H new ATOM 0 HA LYS A 116 10.358 -1.830 1.418 1.00 0.33 H new ATOM 0 HB2 LYS A 116 12.088 -0.939 0.308 1.00 0.44 H new ATOM 0 HB3 LYS A 116 11.257 0.603 0.362 1.00 0.44 H new ATOM 0 HG2 LYS A 116 12.364 0.893 2.697 1.00 0.50 H new ATOM 0 HG3 LYS A 116 13.408 -0.430 2.217 1.00 0.50 H new ATOM 0 HD2 LYS A 116 14.091 0.852 0.195 1.00 0.70 H new ATOM 0 HD3 LYS A 116 13.059 2.178 0.693 1.00 0.70 H new ATOM 0 HE2 LYS A 116 14.355 2.140 2.929 1.00 0.97 H new ATOM 0 HE3 LYS A 116 15.503 1.089 2.125 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 16.393 3.156 1.769 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 15.509 2.943 0.335 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 14.886 3.915 1.580 1.00 1.48 H new ATOM 1882 N LYS A 117 10.666 0.171 3.990 1.00 0.28 N ATOM 1883 CA LYS A 117 10.951 0.243 5.409 1.00 0.31 C ATOM 1884 C LYS A 117 10.012 -0.663 6.207 1.00 0.33 C ATOM 1885 O LYS A 117 10.276 -0.989 7.364 1.00 0.46 O ATOM 1886 CB LYS A 117 10.820 1.686 5.878 1.00 0.39 C ATOM 1887 CG LYS A 117 11.979 2.564 5.439 1.00 0.55 C ATOM 1888 CD LYS A 117 13.240 2.232 6.221 1.00 1.00 C ATOM 1889 CE LYS A 117 13.038 2.458 7.709 1.00 1.77 C ATOM 1890 NZ LYS A 117 14.177 1.943 8.508 1.00 2.58 N ATOM 0 H LYS A 117 10.236 1.012 3.606 1.00 0.28 H new ATOM 0 HA LYS A 117 11.970 -0.104 5.579 1.00 0.31 H new ATOM 0 HB2 LYS A 117 9.890 2.104 5.493 1.00 0.39 H new ATOM 0 HB3 LYS A 117 10.751 1.703 6.966 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.161 2.426 4.373 1.00 0.55 H new ATOM 0 HG3 LYS A 117 11.721 3.613 5.586 1.00 0.55 H new ATOM 0 HD2 LYS A 117 13.519 1.194 6.043 1.00 1.00 H new ATOM 0 HD3 LYS A 117 14.065 2.849 5.865 1.00 1.00 H new ATOM 0 HE2 LYS A 117 12.913 3.524 7.900 1.00 1.77 H new ATOM 0 HE3 LYS A 117 12.119 1.967 8.029 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 13.999 2.117 9.518 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 14.281 0.921 8.346 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 15.050 2.430 8.221 1.00 2.58 H new ATOM 1904 N TYR A 118 8.913 -1.054 5.581 1.00 0.29 N ATOM 1905 CA TYR A 118 7.931 -1.926 6.212 1.00 0.37 C ATOM 1906 C TYR A 118 8.000 -3.333 5.648 1.00 0.39 C ATOM 1907 O TYR A 118 8.370 -4.276 6.348 1.00 0.50 O ATOM 1908 CB TYR A 118 6.530 -1.357 6.029 1.00 0.41 C ATOM 1909 CG TYR A 118 6.162 -0.327 7.073 1.00 0.48 C ATOM 1910 CD1 TYR A 118 5.605 -0.698 8.290 1.00 0.63 C ATOM 1911 CD2 TYR A 118 6.366 1.026 6.831 1.00 0.54 C ATOM 1912 CE1 TYR A 118 5.264 0.252 9.238 1.00 0.71 C ATOM 1913 CE2 TYR A 118 6.029 1.978 7.771 1.00 0.63 C ATOM 1914 CZ TYR A 118 5.492 1.549 9.016 1.00 0.67 C ATOM 1915 OH TYR A 118 5.135 2.540 9.907 1.00 0.77 O ATOM 0 H TYR A 118 8.676 -0.779 4.628 1.00 0.29 H new ATOM 0 HA TYR A 118 8.161 -1.978 7.276 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.455 -0.905 5.040 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.807 -2.172 6.062 1.00 0.41 H new ATOM 0 HD1 TYR A 118 5.435 -1.744 8.500 1.00 0.63 H new ATOM 0 HD2 TYR A 118 6.796 1.338 5.891 1.00 0.54 H new ATOM 0 HE1 TYR A 118 4.809 -0.059 10.167 1.00 0.71 H new ATOM 0 HE2 TYR A 118 6.170 3.029 7.565 1.00 0.63 H new ATOM 0 HH TYR A 118 5.395 3.413 9.547 1.00 0.77 H new ATOM 1925 N LEU A 119 7.626 -3.464 4.389 1.00 0.33 N ATOM 1926 CA LEU A 119 7.737 -4.725 3.674 1.00 0.36 C ATOM 1927 C LEU A 119 8.934 -4.665 2.736 1.00 0.39 C ATOM 1928 O LEU A 119 8.855 -4.130 1.629 1.00 0.40 O ATOM 1929 CB LEU A 119 6.450 -5.038 2.890 1.00 0.37 C ATOM 1930 CG LEU A 119 6.409 -6.411 2.192 1.00 0.59 C ATOM 1931 CD1 LEU A 119 6.862 -6.304 0.742 1.00 1.15 C ATOM 1932 CD2 LEU A 119 7.272 -7.419 2.942 1.00 1.37 C ATOM 0 H LEU A 119 7.237 -2.702 3.833 1.00 0.33 H new ATOM 0 HA LEU A 119 7.881 -5.528 4.397 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.605 -4.974 3.575 1.00 0.37 H new ATOM 0 HB3 LEU A 119 6.308 -4.264 2.136 1.00 0.37 H new ATOM 0 HG LEU A 119 5.376 -6.759 2.200 1.00 0.59 H new ATOM 0 HD11 LEU A 119 6.823 -7.288 0.275 1.00 1.15 H new ATOM 0 HD12 LEU A 119 6.204 -5.621 0.205 1.00 1.15 H new ATOM 0 HD13 LEU A 119 7.884 -5.926 0.707 1.00 1.15 H new ATOM 0 HD21 LEU A 119 7.230 -8.383 2.434 1.00 1.37 H new ATOM 0 HD22 LEU A 119 8.303 -7.067 2.968 1.00 1.37 H new ATOM 0 HD23 LEU A 119 6.900 -7.529 3.961 1.00 1.37 H new ATOM 1944 N PRO A 120 10.069 -5.180 3.190 1.00 0.48 N ATOM 1945 CA PRO A 120 11.279 -5.223 2.430 1.00 0.56 C ATOM 1946 C PRO A 120 11.638 -6.621 1.962 1.00 0.53 C ATOM 1947 O PRO A 120 11.565 -7.599 2.709 1.00 0.61 O ATOM 1948 CB PRO A 120 12.272 -4.723 3.470 1.00 0.68 C ATOM 1949 CG PRO A 120 11.746 -5.248 4.780 1.00 0.67 C ATOM 1950 CD PRO A 120 10.321 -5.701 4.522 1.00 0.55 C ATOM 0 HA PRO A 120 11.236 -4.648 1.505 1.00 0.56 H new ATOM 0 HB2 PRO A 120 13.277 -5.094 3.269 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.329 -3.634 3.473 1.00 0.68 H new ATOM 0 HG2 PRO A 120 12.357 -6.076 5.139 1.00 0.67 H new ATOM 0 HG3 PRO A 120 11.774 -4.474 5.547 1.00 0.67 H new ATOM 0 HD2 PRO A 120 10.226 -6.786 4.559 1.00 0.55 H new ATOM 0 HD3 PRO A 120 9.625 -5.295 5.256 1.00 0.55 H new ATOM 1958 N LEU A 121 12.024 -6.714 0.714 1.00 0.57 N ATOM 1959 CA LEU A 121 12.440 -7.994 0.171 1.00 0.49 C ATOM 1960 C LEU A 121 13.673 -7.852 -0.733 1.00 0.53 C ATOM 1961 O LEU A 121 14.394 -8.822 -0.968 1.00 0.56 O ATOM 1962 CB LEU A 121 11.251 -8.695 -0.532 1.00 0.50 C ATOM 1963 CG LEU A 121 10.756 -8.172 -1.900 1.00 0.69 C ATOM 1964 CD1 LEU A 121 9.255 -8.157 -1.932 1.00 1.11 C ATOM 1965 CD2 LEU A 121 11.220 -6.789 -2.240 1.00 1.31 C ATOM 0 H LEU A 121 12.061 -5.934 0.058 1.00 0.57 H new ATOM 0 HA LEU A 121 12.750 -8.637 0.995 1.00 0.49 H new ATOM 0 HB2 LEU A 121 11.521 -9.743 -0.662 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.404 -8.667 0.154 1.00 0.50 H new ATOM 0 HG LEU A 121 11.182 -8.857 -2.633 1.00 0.69 H new ATOM 0 HD11 LEU A 121 8.915 -7.787 -2.899 1.00 1.11 H new ATOM 0 HD12 LEU A 121 8.878 -9.168 -1.777 1.00 1.11 H new ATOM 0 HD13 LEU A 121 8.881 -7.505 -1.143 1.00 1.11 H new ATOM 0 HD21 LEU A 121 10.827 -6.503 -3.215 1.00 1.31 H new ATOM 0 HD22 LEU A 121 10.862 -6.089 -1.485 1.00 1.31 H new ATOM 0 HD23 LEU A 121 12.309 -6.767 -2.268 1.00 1.31 H new