USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 836 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 6 LYS NZ :NH3+ -118:sc= -1.27 (180deg=-3.22!) USER MOD Single : A 14 CYS SG : rot -102:sc= -2.72 USER MOD Single : A 15 CYS SG : rot -159:sc= -2.99! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -156:sc= -0.071 (180deg=-0.7) USER MOD Single : A 32 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.92) USER MOD Single : A 34 CYS SG : rot 41:sc= -10.5! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0246) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 46 THR OG1 : rot 88:sc= 0.616 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.686 K(o=-0.69,f=-2.3) USER MOD Single : A 58 GLN : amide:sc= -0.643 K(o=-0.64,f=-4.7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 69 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot -56:sc= -1.07 USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.72 USER MOD Single : A 88 SER OG : rot 78:sc= 0.925 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.7!) USER MOD Single : A 99 THR OG1 : rot 97:sc= -1.61 USER MOD Single : A 100 TYR OH : rot -131:sc= 1.25 USER MOD Single : A 104 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.4!) USER MOD Single : A 107 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=-0.13) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.804 -15.893 4.570 1.00 0.00 N ATOM 2 CA GLY A 1 -16.142 -15.249 4.451 1.00 0.00 C ATOM 3 C GLY A 1 -16.708 -15.348 3.048 1.00 0.00 C ATOM 4 O GLY A 1 -16.512 -14.454 2.226 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.459 -15.799 5.547 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.881 -16.901 4.325 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.137 -15.429 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.832 -15.719 5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.064 -14.200 4.735 1.00 0.00 H new ATOM 10 N SER A 2 -17.412 -16.442 2.772 1.00 0.00 N ATOM 11 CA SER A 2 -18.007 -16.656 1.458 1.00 0.00 C ATOM 12 C SER A 2 -16.929 -16.699 0.379 1.00 0.00 C ATOM 13 O SER A 2 -16.933 -15.894 -0.552 1.00 0.00 O ATOM 14 CB SER A 2 -19.018 -15.550 1.146 1.00 0.00 C ATOM 15 OG SER A 2 -19.796 -15.233 2.288 1.00 0.00 O ATOM 0 H SER A 2 -17.584 -17.193 3.440 1.00 0.00 H new ATOM 0 HA SER A 2 -18.525 -17.615 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.493 -14.659 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.671 -15.869 0.334 1.00 0.00 H new ATOM 0 HG SER A 2 -20.433 -14.523 2.063 1.00 0.00 H new ATOM 21 N GLN A 3 -16.006 -17.644 0.514 1.00 0.00 N ATOM 22 CA GLN A 3 -14.918 -17.793 -0.446 1.00 0.00 C ATOM 23 C GLN A 3 -15.168 -18.978 -1.374 1.00 0.00 C ATOM 24 O GLN A 3 -14.945 -20.130 -1.001 1.00 0.00 O ATOM 25 CB GLN A 3 -13.586 -17.974 0.287 1.00 0.00 C ATOM 26 CG GLN A 3 -13.407 -17.029 1.464 1.00 0.00 C ATOM 27 CD GLN A 3 -11.987 -17.023 1.995 1.00 0.00 C ATOM 28 OE1 GLN A 3 -11.357 -18.071 2.129 1.00 0.00 O ATOM 29 NE2 GLN A 3 -11.476 -15.836 2.303 1.00 0.00 N ATOM 0 H GLN A 3 -15.989 -18.319 1.279 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.873 -16.887 -1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.513 -19.002 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.769 -17.822 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.682 -16.019 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.089 -17.317 2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.034 -14.992 2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.525 -15.769 2.666 1.00 0.00 H new ATOM 38 N ASP A 4 -15.633 -18.685 -2.585 1.00 0.00 N ATOM 39 CA ASP A 4 -15.916 -19.726 -3.567 1.00 0.00 C ATOM 40 C ASP A 4 -14.675 -20.046 -4.392 1.00 0.00 C ATOM 41 O ASP A 4 -14.340 -21.210 -4.604 1.00 0.00 O ATOM 42 CB ASP A 4 -17.058 -19.292 -4.487 1.00 0.00 C ATOM 43 CG ASP A 4 -17.985 -20.439 -4.836 1.00 0.00 C ATOM 44 OD1 ASP A 4 -17.632 -21.236 -5.730 1.00 0.00 O ATOM 45 OD2 ASP A 4 -19.065 -20.539 -4.217 1.00 0.00 O ATOM 0 H ASP A 4 -15.822 -17.736 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.215 -20.626 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.630 -18.500 -4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.643 -18.872 -5.403 1.00 0.00 H new ATOM 50 N ARG A 5 -13.998 -19.002 -4.854 1.00 0.00 N ATOM 51 CA ARG A 5 -12.792 -19.167 -5.656 1.00 0.00 C ATOM 52 C ARG A 5 -11.846 -17.986 -5.468 1.00 0.00 C ATOM 53 O ARG A 5 -10.840 -18.091 -4.768 1.00 0.00 O ATOM 54 CB ARG A 5 -13.155 -19.327 -7.136 1.00 0.00 C ATOM 55 CG ARG A 5 -12.539 -20.558 -7.781 1.00 0.00 C ATOM 56 CD ARG A 5 -11.246 -20.218 -8.503 1.00 0.00 C ATOM 57 NE ARG A 5 -11.019 -21.084 -9.658 1.00 0.00 N ATOM 58 CZ ARG A 5 -10.524 -22.316 -9.575 1.00 0.00 C ATOM 59 NH1 ARG A 5 -10.205 -22.835 -8.395 1.00 0.00 N ATOM 60 NH2 ARG A 5 -10.349 -23.035 -10.676 1.00 0.00 N ATOM 0 H ARG A 5 -14.264 -18.031 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.281 -20.069 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.239 -19.380 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.830 -18.440 -7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.344 -21.311 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.247 -20.994 -8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.276 -19.179 -8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.409 -20.311 -7.811 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.254 -20.722 -10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.339 -22.288 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.826 -23.780 -8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.594 -22.643 -11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.969 -23.980 -10.613 1.00 0.00 H new ATOM 74 N LYS A 6 -12.176 -16.865 -6.097 1.00 0.00 N ATOM 75 CA LYS A 6 -11.356 -15.661 -6.000 1.00 0.00 C ATOM 76 C LYS A 6 -9.922 -15.948 -6.444 1.00 0.00 C ATOM 77 O LYS A 6 -9.544 -17.103 -6.639 1.00 0.00 O ATOM 78 CB LYS A 6 -11.364 -15.119 -4.566 1.00 0.00 C ATOM 79 CG LYS A 6 -12.687 -15.310 -3.836 1.00 0.00 C ATOM 80 CD LYS A 6 -13.368 -13.980 -3.558 1.00 0.00 C ATOM 81 CE LYS A 6 -14.169 -14.023 -2.265 1.00 0.00 C ATOM 82 NZ LYS A 6 -13.331 -14.434 -1.103 1.00 0.00 N ATOM 0 H LYS A 6 -13.006 -16.763 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.781 -14.907 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.574 -15.611 -3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.125 -14.056 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.346 -15.939 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.513 -15.834 -2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.618 -13.192 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.028 -13.728 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.599 -13.040 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.001 -14.719 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.700 -15.322 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.349 -14.576 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.358 -13.691 -0.375 1.00 0.00 H new ATOM 96 N ILE A 7 -9.129 -14.894 -6.604 1.00 0.00 N ATOM 97 CA ILE A 7 -7.740 -15.043 -7.028 1.00 0.00 C ATOM 98 C ILE A 7 -6.770 -14.700 -5.901 1.00 0.00 C ATOM 99 O ILE A 7 -5.605 -15.097 -5.933 1.00 0.00 O ATOM 100 CB ILE A 7 -7.418 -14.155 -8.244 1.00 0.00 C ATOM 101 CG1 ILE A 7 -8.028 -12.764 -8.069 1.00 0.00 C ATOM 102 CG2 ILE A 7 -7.919 -14.802 -9.525 1.00 0.00 C ATOM 103 CD1 ILE A 7 -7.230 -11.665 -8.738 1.00 0.00 C ATOM 0 H ILE A 7 -9.422 -13.930 -6.447 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.616 -16.090 -7.305 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.336 -14.048 -8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.040 -12.766 -8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.112 -12.544 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.682 -14.160 -10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.436 -15.770 -9.657 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.998 -14.940 -9.465 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.721 -10.706 -8.573 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.226 -11.636 -8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.167 -11.861 -9.808 1.00 0.00 H new ATOM 115 N PHE A 8 -7.253 -13.960 -4.909 1.00 0.00 N ATOM 116 CA PHE A 8 -6.422 -13.567 -3.779 1.00 0.00 C ATOM 117 C PHE A 8 -6.572 -14.560 -2.630 1.00 0.00 C ATOM 118 O PHE A 8 -5.582 -15.057 -2.095 1.00 0.00 O ATOM 119 CB PHE A 8 -6.796 -12.155 -3.312 1.00 0.00 C ATOM 120 CG PHE A 8 -6.360 -11.054 -4.247 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.365 -11.262 -5.193 1.00 0.00 C ATOM 122 CD2 PHE A 8 -6.949 -9.801 -4.171 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.970 -10.245 -6.042 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.557 -8.780 -5.018 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.568 -9.003 -5.954 1.00 0.00 C ATOM 0 H PHE A 8 -8.214 -13.621 -4.865 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.380 -13.567 -4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.877 -12.101 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.352 -11.980 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.894 -12.231 -5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.724 -9.620 -3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.195 -10.421 -6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.025 -7.809 -4.947 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.262 -8.207 -6.617 1.00 0.00 H new ATOM 135 N ARG A 9 -7.816 -14.852 -2.262 1.00 0.00 N ATOM 136 CA ARG A 9 -8.098 -15.796 -1.184 1.00 0.00 C ATOM 137 C ARG A 9 -7.245 -15.500 0.046 1.00 0.00 C ATOM 138 O ARG A 9 -6.123 -15.993 0.170 1.00 0.00 O ATOM 139 CB ARG A 9 -7.849 -17.228 -1.658 1.00 0.00 C ATOM 140 CG ARG A 9 -8.278 -18.286 -0.655 1.00 0.00 C ATOM 141 CD ARG A 9 -7.691 -19.647 -0.993 1.00 0.00 C ATOM 142 NE ARG A 9 -8.449 -20.329 -2.039 1.00 0.00 N ATOM 143 CZ ARG A 9 -8.216 -20.187 -3.343 1.00 0.00 C ATOM 144 NH1 ARG A 9 -7.250 -19.383 -3.772 1.00 0.00 N ATOM 145 NH2 ARG A 9 -8.955 -20.850 -4.222 1.00 0.00 N ATOM 0 H ARG A 9 -8.647 -14.448 -2.695 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.146 -15.686 -0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.383 -17.390 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.787 -17.351 -1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.961 -17.990 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.366 -18.352 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.657 -19.525 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.674 -20.266 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.204 -20.953 -1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.679 -18.868 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.079 -19.280 -4.772 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.700 -21.467 -3.899 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.778 -20.743 -5.221 1.00 0.00 H new ATOM 159 N GLY A 10 -7.783 -14.691 0.949 1.00 0.00 N ATOM 160 CA GLY A 10 -7.056 -14.339 2.156 1.00 0.00 C ATOM 161 C GLY A 10 -5.975 -13.314 1.890 1.00 0.00 C ATOM 162 O GLY A 10 -4.792 -13.646 1.831 1.00 0.00 O ATOM 0 H GLY A 10 -8.709 -14.272 0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.753 -13.947 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.608 -15.236 2.583 1.00 0.00 H new ATOM 166 N LEU A 11 -6.388 -12.066 1.720 1.00 0.00 N ATOM 167 CA LEU A 11 -5.453 -10.982 1.449 1.00 0.00 C ATOM 168 C LEU A 11 -5.920 -9.682 2.097 1.00 0.00 C ATOM 169 O LEU A 11 -7.089 -9.538 2.453 1.00 0.00 O ATOM 170 CB LEU A 11 -5.304 -10.790 -0.063 1.00 0.00 C ATOM 171 CG LEU A 11 -3.895 -11.017 -0.614 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.952 -11.703 -1.969 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.154 -9.699 -0.722 1.00 0.00 C ATOM 0 H LEU A 11 -7.366 -11.778 1.765 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.486 -11.247 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.988 -11.471 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.617 -9.777 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.357 -11.666 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.939 -11.855 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.450 -12.667 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.508 -11.079 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.153 -9.876 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.695 -9.031 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.081 -9.241 0.264 1.00 0.00 H new ATOM 185 N GLU A 12 -4.997 -8.737 2.239 1.00 0.00 N ATOM 186 CA GLU A 12 -5.306 -7.443 2.835 1.00 0.00 C ATOM 187 C GLU A 12 -4.547 -6.333 2.115 1.00 0.00 C ATOM 188 O GLU A 12 -3.326 -6.236 2.222 1.00 0.00 O ATOM 189 CB GLU A 12 -4.953 -7.444 4.325 1.00 0.00 C ATOM 190 CG GLU A 12 -6.157 -7.252 5.235 1.00 0.00 C ATOM 191 CD GLU A 12 -6.512 -8.507 6.008 1.00 0.00 C ATOM 192 OE1 GLU A 12 -5.739 -8.884 6.914 1.00 0.00 O ATOM 193 OE2 GLU A 12 -7.562 -9.112 5.708 1.00 0.00 O ATOM 0 H GLU A 12 -4.025 -8.844 1.948 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.375 -7.260 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.466 -8.387 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.231 -6.651 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.952 -6.444 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.014 -6.944 4.636 1.00 0.00 H new ATOM 200 N ILE A 13 -5.273 -5.506 1.371 1.00 0.00 N ATOM 201 CA ILE A 13 -4.657 -4.416 0.624 1.00 0.00 C ATOM 202 C ILE A 13 -5.291 -3.072 0.966 1.00 0.00 C ATOM 203 O ILE A 13 -6.514 -2.929 0.953 1.00 0.00 O ATOM 204 CB ILE A 13 -4.769 -4.649 -0.895 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.362 -6.082 -1.246 1.00 0.00 C ATOM 206 CG2 ILE A 13 -3.912 -3.647 -1.653 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.451 -6.865 -1.945 1.00 0.00 C ATOM 0 H ILE A 13 -6.286 -5.569 1.269 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.606 -4.396 0.912 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.808 -4.504 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.479 -6.054 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.079 -6.605 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.004 -3.827 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.247 -2.635 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.870 -3.760 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.093 -7.871 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.328 -6.924 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.718 -6.365 -2.876 1.00 0.00 H new ATOM 219 N CYS A 14 -4.449 -2.088 1.269 1.00 0.00 N ATOM 220 CA CYS A 14 -4.923 -0.753 1.610 1.00 0.00 C ATOM 221 C CYS A 14 -4.562 0.250 0.521 1.00 0.00 C ATOM 222 O CYS A 14 -3.490 0.170 -0.081 1.00 0.00 O ATOM 223 CB CYS A 14 -4.333 -0.303 2.947 1.00 0.00 C ATOM 224 SG CYS A 14 -2.548 -0.552 3.088 1.00 0.00 S ATOM 0 H CYS A 14 -3.434 -2.192 1.285 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.009 -0.795 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.554 0.755 3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.829 -0.845 3.752 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.313 -1.602 3.817 1.00 0.00 H new ATOM 230 N CYS A 15 -5.463 1.195 0.275 1.00 0.00 N ATOM 231 CA CYS A 15 -5.242 2.218 -0.740 1.00 0.00 C ATOM 232 C CYS A 15 -4.933 3.563 -0.093 1.00 0.00 C ATOM 233 O CYS A 15 -5.820 4.219 0.453 1.00 0.00 O ATOM 234 CB CYS A 15 -6.471 2.342 -1.642 1.00 0.00 C ATOM 235 SG CYS A 15 -8.015 2.632 -0.746 1.00 0.00 S ATOM 0 H CYS A 15 -6.354 1.274 0.765 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.385 1.920 -1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.312 3.160 -2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.570 1.430 -2.231 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.022 2.292 -1.495 1.00 0.00 H new ATOM 241 N TYR A 16 -3.668 3.968 -0.155 1.00 0.00 N ATOM 242 CA TYR A 16 -3.244 5.235 0.430 1.00 0.00 C ATOM 243 C TYR A 16 -3.263 6.351 -0.611 1.00 0.00 C ATOM 244 O TYR A 16 -2.737 6.195 -1.713 1.00 0.00 O ATOM 245 CB TYR A 16 -1.842 5.099 1.029 1.00 0.00 C ATOM 246 CG TYR A 16 -1.795 5.337 2.523 1.00 0.00 C ATOM 247 CD1 TYR A 16 -2.782 4.829 3.358 1.00 0.00 C ATOM 248 CD2 TYR A 16 -0.764 6.071 3.096 1.00 0.00 C ATOM 249 CE1 TYR A 16 -2.743 5.045 4.722 1.00 0.00 C ATOM 250 CE2 TYR A 16 -0.718 6.292 4.459 1.00 0.00 C ATOM 251 CZ TYR A 16 -1.710 5.777 5.267 1.00 0.00 C ATOM 252 OH TYR A 16 -1.668 5.994 6.625 1.00 0.00 O ATOM 0 H TYR A 16 -2.920 3.438 -0.603 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.946 5.494 1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.461 4.100 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.175 5.806 0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.593 4.256 2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.014 6.475 2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.518 4.642 5.358 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.090 6.865 4.889 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.876 6.526 6.847 1.00 0.00 H new ATOM 262 N GLY A 17 -3.872 7.476 -0.252 1.00 0.00 N ATOM 263 CA GLY A 17 -3.947 8.602 -1.163 1.00 0.00 C ATOM 264 C GLY A 17 -5.169 8.544 -2.061 1.00 0.00 C ATOM 265 O GLY A 17 -5.745 7.475 -2.259 1.00 0.00 O ATOM 0 H GLY A 17 -4.315 7.628 0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.966 9.529 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.048 8.627 -1.779 1.00 0.00 H new ATOM 269 N PRO A 18 -5.592 9.691 -2.621 1.00 0.00 N ATOM 270 CA PRO A 18 -6.760 9.756 -3.504 1.00 0.00 C ATOM 271 C PRO A 18 -6.452 9.287 -4.925 1.00 0.00 C ATOM 272 O PRO A 18 -7.329 9.288 -5.789 1.00 0.00 O ATOM 273 CB PRO A 18 -7.105 11.244 -3.497 1.00 0.00 C ATOM 274 CG PRO A 18 -5.797 11.929 -3.301 1.00 0.00 C ATOM 275 CD PRO A 18 -4.966 11.015 -2.437 1.00 0.00 C ATOM 0 HA PRO A 18 -7.567 9.106 -3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.575 11.547 -4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.804 11.486 -2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.307 12.112 -4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.934 12.899 -2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.921 11.010 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.986 11.325 -1.392 1.00 0.00 H new ATOM 283 N PHE A 19 -5.204 8.889 -5.163 1.00 0.00 N ATOM 284 CA PHE A 19 -4.787 8.420 -6.480 1.00 0.00 C ATOM 285 C PHE A 19 -4.917 9.526 -7.522 1.00 0.00 C ATOM 286 O PHE A 19 -3.939 10.198 -7.852 1.00 0.00 O ATOM 287 CB PHE A 19 -5.610 7.197 -6.897 1.00 0.00 C ATOM 288 CG PHE A 19 -5.174 5.925 -6.226 1.00 0.00 C ATOM 289 CD1 PHE A 19 -5.340 5.755 -4.861 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.596 4.902 -6.960 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.937 4.588 -4.240 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.190 3.733 -6.344 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.362 3.575 -4.982 1.00 0.00 C ATOM 0 H PHE A 19 -4.465 8.882 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.737 8.133 -6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.660 7.379 -6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.538 7.072 -7.977 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.789 6.543 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.461 5.019 -8.025 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.072 4.468 -3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.739 2.944 -6.927 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.048 2.662 -4.499 1.00 0.00 H new ATOM 303 N THR A 20 -6.127 9.713 -8.037 1.00 0.00 N ATOM 304 CA THR A 20 -6.382 10.739 -9.041 1.00 0.00 C ATOM 305 C THR A 20 -7.756 11.366 -8.839 1.00 0.00 C ATOM 306 O THR A 20 -7.896 12.590 -8.814 1.00 0.00 O ATOM 307 CB THR A 20 -6.279 10.146 -10.447 1.00 0.00 C ATOM 308 OG1 THR A 20 -6.637 11.107 -11.424 1.00 0.00 O ATOM 309 CG2 THR A 20 -7.161 8.933 -10.651 1.00 0.00 C ATOM 0 H THR A 20 -6.948 9.167 -7.775 1.00 0.00 H new ATOM 0 HA THR A 20 -5.627 11.517 -8.929 1.00 0.00 H new ATOM 0 HB THR A 20 -5.238 9.841 -10.556 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.563 10.709 -12.317 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.040 8.562 -11.669 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.876 8.153 -9.944 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.203 9.209 -10.487 1.00 0.00 H new ATOM 317 N ASN A 21 -8.771 10.520 -8.691 1.00 0.00 N ATOM 318 CA ASN A 21 -10.136 10.989 -8.487 1.00 0.00 C ATOM 319 C ASN A 21 -10.660 10.548 -7.124 1.00 0.00 C ATOM 320 O ASN A 21 -10.691 11.335 -6.178 1.00 0.00 O ATOM 321 CB ASN A 21 -11.050 10.464 -9.597 1.00 0.00 C ATOM 322 CG ASN A 21 -10.739 11.087 -10.944 1.00 0.00 C ATOM 323 OD1 ASN A 21 -10.513 10.384 -11.929 1.00 0.00 O ATOM 324 ND2 ASN A 21 -10.728 12.415 -10.994 1.00 0.00 N ATOM 0 H ASN A 21 -8.673 9.505 -8.709 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.131 12.079 -8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.946 9.381 -9.668 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.088 10.668 -9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.527 12.891 -11.874 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.921 12.959 -10.153 1.00 0.00 H new ATOM 331 N MET A 22 -11.065 9.287 -7.029 1.00 0.00 N ATOM 332 CA MET A 22 -11.581 8.743 -5.778 1.00 0.00 C ATOM 333 C MET A 22 -11.755 7.226 -5.869 1.00 0.00 C ATOM 334 O MET A 22 -12.845 6.703 -5.636 1.00 0.00 O ATOM 335 CB MET A 22 -12.915 9.404 -5.425 1.00 0.00 C ATOM 336 CG MET A 22 -13.932 9.365 -6.555 1.00 0.00 C ATOM 337 SD MET A 22 -14.119 10.958 -7.378 1.00 0.00 S ATOM 338 CE MET A 22 -15.610 11.570 -6.597 1.00 0.00 C ATOM 0 H MET A 22 -11.046 8.622 -7.802 1.00 0.00 H new ATOM 0 HA MET A 22 -10.857 8.957 -4.992 1.00 0.00 H new ATOM 0 HB2 MET A 22 -13.337 8.908 -4.551 1.00 0.00 H new ATOM 0 HB3 MET A 22 -12.734 10.442 -5.146 1.00 0.00 H new ATOM 0 HG2 MET A 22 -13.628 8.616 -7.286 1.00 0.00 H new ATOM 0 HG3 MET A 22 -14.897 9.050 -6.159 1.00 0.00 H new ATOM 0 HE1 MET A 22 -15.857 12.551 -7.002 1.00 0.00 H new ATOM 0 HE2 MET A 22 -16.432 10.880 -6.791 1.00 0.00 H new ATOM 0 HE3 MET A 22 -15.450 11.651 -5.522 1.00 0.00 H new ATOM 348 N PRO A 23 -10.678 6.495 -6.212 1.00 0.00 N ATOM 349 CA PRO A 23 -10.716 5.039 -6.333 1.00 0.00 C ATOM 350 C PRO A 23 -10.451 4.329 -5.007 1.00 0.00 C ATOM 351 O PRO A 23 -10.163 3.134 -4.983 1.00 0.00 O ATOM 352 CB PRO A 23 -9.581 4.770 -7.314 1.00 0.00 C ATOM 353 CG PRO A 23 -8.567 5.817 -6.998 1.00 0.00 C ATOM 354 CD PRO A 23 -9.333 7.027 -6.513 1.00 0.00 C ATOM 0 HA PRO A 23 -11.692 4.672 -6.651 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.172 3.768 -7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.921 4.844 -8.347 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.873 5.466 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.974 6.061 -7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.870 7.466 -5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.372 7.807 -7.273 1.00 0.00 H new ATOM 362 N THR A 24 -10.542 5.069 -3.906 1.00 0.00 N ATOM 363 CA THR A 24 -10.304 4.501 -2.585 1.00 0.00 C ATOM 364 C THR A 24 -11.297 3.385 -2.275 1.00 0.00 C ATOM 365 O THR A 24 -10.920 2.326 -1.768 1.00 0.00 O ATOM 366 CB THR A 24 -10.390 5.591 -1.513 1.00 0.00 C ATOM 367 OG1 THR A 24 -10.818 6.820 -2.076 1.00 0.00 O ATOM 368 CG2 THR A 24 -9.072 5.845 -0.812 1.00 0.00 C ATOM 0 H THR A 24 -10.778 6.061 -3.903 1.00 0.00 H new ATOM 0 HA THR A 24 -9.301 4.074 -2.581 1.00 0.00 H new ATOM 0 HB THR A 24 -11.109 5.220 -0.783 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.868 7.502 -1.374 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.202 6.628 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.737 4.930 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.326 6.160 -1.542 1.00 0.00 H new ATOM 376 N ASP A 25 -12.567 3.623 -2.585 1.00 0.00 N ATOM 377 CA ASP A 25 -13.609 2.634 -2.336 1.00 0.00 C ATOM 378 C ASP A 25 -13.760 1.703 -3.530 1.00 0.00 C ATOM 379 O ASP A 25 -14.198 0.560 -3.393 1.00 0.00 O ATOM 380 CB ASP A 25 -14.940 3.325 -2.037 1.00 0.00 C ATOM 381 CG ASP A 25 -15.698 2.656 -0.906 1.00 0.00 C ATOM 382 OD1 ASP A 25 -16.287 1.580 -1.140 1.00 0.00 O ATOM 383 OD2 ASP A 25 -15.700 3.208 0.215 1.00 0.00 O ATOM 0 H ASP A 25 -12.899 4.490 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.318 2.042 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.755 4.368 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.557 3.323 -2.935 1.00 0.00 H new ATOM 388 N GLN A 26 -13.390 2.201 -4.703 1.00 0.00 N ATOM 389 CA GLN A 26 -13.476 1.421 -5.926 1.00 0.00 C ATOM 390 C GLN A 26 -12.319 0.433 -6.012 1.00 0.00 C ATOM 391 O GLN A 26 -12.469 -0.669 -6.541 1.00 0.00 O ATOM 392 CB GLN A 26 -13.466 2.353 -7.136 1.00 0.00 C ATOM 393 CG GLN A 26 -14.436 1.943 -8.230 1.00 0.00 C ATOM 394 CD GLN A 26 -14.110 2.576 -9.568 1.00 0.00 C ATOM 395 OE1 GLN A 26 -13.556 1.926 -10.455 1.00 0.00 O ATOM 396 NE2 GLN A 26 -14.450 3.850 -9.719 1.00 0.00 N ATOM 0 H GLN A 26 -13.026 3.145 -4.831 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.409 0.857 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.709 3.363 -6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.458 2.386 -7.550 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.423 0.858 -8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.448 2.223 -7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.908 4.350 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.254 4.330 -10.598 1.00 0.00 H new ATOM 405 N LEU A 27 -11.169 0.833 -5.483 1.00 0.00 N ATOM 406 CA LEU A 27 -9.989 -0.019 -5.492 1.00 0.00 C ATOM 407 C LEU A 27 -10.121 -1.125 -4.453 1.00 0.00 C ATOM 408 O LEU A 27 -9.819 -2.286 -4.729 1.00 0.00 O ATOM 409 CB LEU A 27 -8.730 0.809 -5.223 1.00 0.00 C ATOM 410 CG LEU A 27 -7.408 0.073 -5.452 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.155 -0.115 -6.939 1.00 0.00 C ATOM 412 CD2 LEU A 27 -6.257 0.831 -4.803 1.00 0.00 C ATOM 0 H LEU A 27 -11.030 1.742 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.904 -0.476 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.752 1.692 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.758 1.160 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.475 -0.911 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.211 -0.640 -7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.966 -0.699 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.107 0.859 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.324 0.294 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.187 1.828 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.435 0.914 -3.731 1.00 0.00 H new ATOM 424 N GLU A 28 -10.583 -0.762 -3.259 1.00 0.00 N ATOM 425 CA GLU A 28 -10.762 -1.738 -2.193 1.00 0.00 C ATOM 426 C GLU A 28 -11.872 -2.720 -2.549 1.00 0.00 C ATOM 427 O GLU A 28 -11.865 -3.867 -2.106 1.00 0.00 O ATOM 428 CB GLU A 28 -11.067 -1.040 -0.869 1.00 0.00 C ATOM 429 CG GLU A 28 -12.344 -0.216 -0.889 1.00 0.00 C ATOM 430 CD GLU A 28 -13.389 -0.732 0.082 1.00 0.00 C ATOM 431 OE1 GLU A 28 -14.067 -1.727 -0.251 1.00 0.00 O ATOM 432 OE2 GLU A 28 -13.528 -0.143 1.174 1.00 0.00 O ATOM 0 H GLU A 28 -10.838 0.193 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.832 -2.296 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.143 -1.791 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.231 -0.390 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.107 0.820 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.758 -0.219 -1.897 1.00 0.00 H new ATOM 439 N TRP A 29 -12.817 -2.265 -3.365 1.00 0.00 N ATOM 440 CA TRP A 29 -13.924 -3.105 -3.800 1.00 0.00 C ATOM 441 C TRP A 29 -13.412 -4.191 -4.739 1.00 0.00 C ATOM 442 O TRP A 29 -13.697 -5.374 -4.557 1.00 0.00 O ATOM 443 CB TRP A 29 -14.981 -2.233 -4.491 1.00 0.00 C ATOM 444 CG TRP A 29 -15.875 -2.973 -5.440 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.814 -3.900 -5.115 1.00 0.00 C ATOM 446 CD2 TRP A 29 -15.912 -2.841 -6.866 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.443 -4.355 -6.248 1.00 0.00 N ATOM 448 CE2 TRP A 29 -16.906 -3.720 -7.338 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.205 -2.066 -7.789 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.208 -3.844 -8.691 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.507 -2.190 -9.132 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.501 -3.073 -9.573 1.00 0.00 C ATOM 0 H TRP A 29 -12.837 -1.316 -3.739 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.381 -3.591 -2.938 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.597 -1.758 -3.728 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.476 -1.435 -5.035 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.034 -4.231 -4.111 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.188 -5.051 -6.274 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.437 -1.383 -7.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -17.974 -4.525 -9.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -14.967 -1.596 -9.854 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -16.713 -3.147 -10.629 1.00 0.00 H new ATOM 463 N MET A 30 -12.646 -3.772 -5.734 1.00 0.00 N ATOM 464 CA MET A 30 -12.072 -4.698 -6.703 1.00 0.00 C ATOM 465 C MET A 30 -11.225 -5.754 -5.999 1.00 0.00 C ATOM 466 O MET A 30 -11.382 -6.949 -6.250 1.00 0.00 O ATOM 467 CB MET A 30 -11.227 -3.940 -7.728 1.00 0.00 C ATOM 468 CG MET A 30 -12.030 -2.970 -8.579 1.00 0.00 C ATOM 469 SD MET A 30 -11.635 -3.092 -10.335 1.00 0.00 S ATOM 470 CE MET A 30 -10.326 -1.877 -10.472 1.00 0.00 C ATOM 0 H MET A 30 -12.406 -2.794 -5.894 1.00 0.00 H new ATOM 0 HA MET A 30 -12.888 -5.199 -7.224 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.444 -3.390 -7.206 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.731 -4.659 -8.381 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.093 -3.162 -8.436 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.841 -1.952 -8.238 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.266 -1.521 -11.501 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.538 -1.038 -9.810 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.377 -2.332 -10.189 1.00 0.00 H new ATOM 480 N VAL A 31 -10.340 -5.316 -5.103 1.00 0.00 N ATOM 481 CA VAL A 31 -9.501 -6.252 -4.363 1.00 0.00 C ATOM 482 C VAL A 31 -10.378 -7.191 -3.550 1.00 0.00 C ATOM 483 O VAL A 31 -10.181 -8.405 -3.548 1.00 0.00 O ATOM 484 CB VAL A 31 -8.518 -5.534 -3.418 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.508 -4.712 -4.206 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.262 -4.655 -2.433 1.00 0.00 C ATOM 0 H VAL A 31 -10.188 -4.333 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.915 -6.810 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.976 -6.296 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.826 -4.215 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.942 -5.368 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.032 -3.963 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.547 -4.159 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.837 -3.905 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.938 -5.268 -1.836 1.00 0.00 H new ATOM 496 N GLN A 32 -11.371 -6.612 -2.882 1.00 0.00 N ATOM 497 CA GLN A 32 -12.314 -7.383 -2.084 1.00 0.00 C ATOM 498 C GLN A 32 -12.999 -8.422 -2.962 1.00 0.00 C ATOM 499 O GLN A 32 -13.301 -9.532 -2.524 1.00 0.00 O ATOM 500 CB GLN A 32 -13.357 -6.450 -1.456 1.00 0.00 C ATOM 501 CG GLN A 32 -13.161 -6.234 0.035 1.00 0.00 C ATOM 502 CD GLN A 32 -14.315 -6.768 0.861 1.00 0.00 C ATOM 503 OE1 GLN A 32 -15.004 -7.705 0.455 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.534 -6.171 2.027 1.00 0.00 N ATOM 0 H GLN A 32 -11.543 -5.607 -2.879 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.775 -7.892 -1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.321 -5.485 -1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.351 -6.863 -1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.238 -6.721 0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.042 -5.168 0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.938 -5.398 2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.298 -6.485 2.625 1.00 0.00 H new ATOM 513 N LEU A 33 -13.223 -8.042 -4.215 1.00 0.00 N ATOM 514 CA LEU A 33 -13.854 -8.914 -5.195 1.00 0.00 C ATOM 515 C LEU A 33 -12.922 -10.059 -5.590 1.00 0.00 C ATOM 516 O LEU A 33 -13.367 -11.092 -6.090 1.00 0.00 O ATOM 517 CB LEU A 33 -14.251 -8.098 -6.430 1.00 0.00 C ATOM 518 CG LEU A 33 -15.752 -7.872 -6.599 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.509 -9.186 -6.490 1.00 0.00 C ATOM 520 CD2 LEU A 33 -16.254 -6.883 -5.560 1.00 0.00 C ATOM 0 H LEU A 33 -12.972 -7.122 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.748 -9.350 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.756 -7.128 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.873 -8.604 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.929 -7.458 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.576 -9.002 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.166 -9.869 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.328 -9.630 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.325 -6.730 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.063 -7.276 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.734 -5.933 -5.682 1.00 0.00 H new ATOM 532 N CYS A 34 -11.625 -9.860 -5.369 1.00 0.00 N ATOM 533 CA CYS A 34 -10.620 -10.863 -5.709 1.00 0.00 C ATOM 534 C CYS A 34 -10.303 -11.770 -4.520 1.00 0.00 C ATOM 535 O CYS A 34 -9.517 -12.709 -4.644 1.00 0.00 O ATOM 536 CB CYS A 34 -9.343 -10.175 -6.194 1.00 0.00 C ATOM 537 SG CYS A 34 -9.437 -9.562 -7.893 1.00 0.00 S ATOM 0 H CYS A 34 -11.244 -9.009 -4.954 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.026 -11.487 -6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.117 -9.341 -5.530 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.513 -10.877 -6.117 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.604 -9.028 -8.098 1.00 0.00 H new ATOM 543 N GLY A 35 -10.913 -11.490 -3.369 1.00 0.00 N ATOM 544 CA GLY A 35 -10.674 -12.303 -2.189 1.00 0.00 C ATOM 545 C GLY A 35 -9.993 -11.533 -1.075 1.00 0.00 C ATOM 546 O GLY A 35 -10.096 -11.901 0.095 1.00 0.00 O ATOM 0 H GLY A 35 -11.566 -10.718 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.623 -12.696 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.058 -13.160 -2.462 1.00 0.00 H new ATOM 550 N ALA A 36 -9.295 -10.465 -1.437 1.00 0.00 N ATOM 551 CA ALA A 36 -8.592 -9.644 -0.460 1.00 0.00 C ATOM 552 C ALA A 36 -9.569 -8.921 0.458 1.00 0.00 C ATOM 553 O ALA A 36 -10.784 -9.022 0.297 1.00 0.00 O ATOM 554 CB ALA A 36 -7.695 -8.640 -1.165 1.00 0.00 C ATOM 0 H ALA A 36 -9.200 -10.146 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.977 -10.303 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.176 -8.033 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.965 -9.171 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.301 -7.995 -1.802 1.00 0.00 H new ATOM 560 N SER A 37 -9.022 -8.194 1.422 1.00 0.00 N ATOM 561 CA SER A 37 -9.834 -7.445 2.373 1.00 0.00 C ATOM 562 C SER A 37 -9.356 -5.999 2.464 1.00 0.00 C ATOM 563 O SER A 37 -8.154 -5.733 2.481 1.00 0.00 O ATOM 564 CB SER A 37 -9.779 -8.104 3.754 1.00 0.00 C ATOM 565 OG SER A 37 -11.082 -8.369 4.244 1.00 0.00 O ATOM 0 H SER A 37 -8.016 -8.106 1.567 1.00 0.00 H new ATOM 0 HA SER A 37 -10.866 -7.449 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.213 -9.034 3.695 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.250 -7.453 4.450 1.00 0.00 H new ATOM 0 HG SER A 37 -11.020 -8.791 5.126 1.00 0.00 H new ATOM 571 N VAL A 38 -10.301 -5.069 2.522 1.00 0.00 N ATOM 572 CA VAL A 38 -9.969 -3.652 2.611 1.00 0.00 C ATOM 573 C VAL A 38 -9.413 -3.312 3.990 1.00 0.00 C ATOM 574 O VAL A 38 -10.115 -3.410 4.997 1.00 0.00 O ATOM 575 CB VAL A 38 -11.196 -2.767 2.320 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.305 -3.034 3.324 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.808 -1.295 2.321 1.00 0.00 C ATOM 0 H VAL A 38 -11.301 -5.269 2.509 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.208 -3.451 1.857 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.571 -3.020 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.161 -2.398 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.605 -4.080 3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.946 -2.816 4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.688 -0.687 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.403 -1.026 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.055 -1.117 1.554 1.00 0.00 H new ATOM 587 N VAL A 39 -8.144 -2.917 4.027 1.00 0.00 N ATOM 588 CA VAL A 39 -7.488 -2.568 5.280 1.00 0.00 C ATOM 589 C VAL A 39 -7.575 -1.068 5.544 1.00 0.00 C ATOM 590 O VAL A 39 -7.114 -0.258 4.740 1.00 0.00 O ATOM 591 CB VAL A 39 -6.006 -2.999 5.274 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.454 -3.047 6.689 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.840 -4.346 4.588 1.00 0.00 C ATOM 0 H VAL A 39 -7.550 -2.831 3.202 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.009 -3.102 6.075 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.439 -2.257 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.408 -3.353 6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.531 -2.059 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.026 -3.763 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.788 -4.631 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.423 -5.099 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.190 -4.275 3.558 1.00 0.00 H new ATOM 603 N LYS A 40 -8.177 -0.707 6.673 1.00 0.00 N ATOM 604 CA LYS A 40 -8.336 0.696 7.043 1.00 0.00 C ATOM 605 C LYS A 40 -6.987 1.402 7.135 1.00 0.00 C ATOM 606 O LYS A 40 -6.812 2.499 6.608 1.00 0.00 O ATOM 607 CB LYS A 40 -9.075 0.812 8.378 1.00 0.00 C ATOM 608 CG LYS A 40 -10.475 0.220 8.351 1.00 0.00 C ATOM 609 CD LYS A 40 -11.394 1.000 7.422 1.00 0.00 C ATOM 610 CE LYS A 40 -12.461 1.757 8.196 1.00 0.00 C ATOM 611 NZ LYS A 40 -11.868 2.760 9.124 1.00 0.00 N ATOM 0 H LYS A 40 -8.563 -1.367 7.348 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.922 1.181 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.492 0.311 9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.139 1.863 8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.425 -0.819 8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.890 0.220 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.805 1.702 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.870 0.315 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.129 2.260 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.067 1.051 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.625 3.346 9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.361 2.269 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.204 3.366 8.602 1.00 0.00 H new ATOM 625 N GLU A 41 -6.042 0.766 7.813 1.00 0.00 N ATOM 626 CA GLU A 41 -4.709 1.336 7.980 1.00 0.00 C ATOM 627 C GLU A 41 -3.629 0.304 7.675 1.00 0.00 C ATOM 628 O GLU A 41 -3.923 -0.860 7.408 1.00 0.00 O ATOM 629 CB GLU A 41 -4.534 1.868 9.403 1.00 0.00 C ATOM 630 CG GLU A 41 -5.377 3.097 9.700 1.00 0.00 C ATOM 631 CD GLU A 41 -4.789 4.362 9.107 1.00 0.00 C ATOM 632 OE1 GLU A 41 -3.858 4.928 9.719 1.00 0.00 O ATOM 633 OE2 GLU A 41 -5.260 4.789 8.032 1.00 0.00 O ATOM 0 H GLU A 41 -6.171 -0.143 8.256 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.605 2.160 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.792 1.080 10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.484 2.110 9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.382 2.948 9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.472 3.216 10.779 1.00 0.00 H new ATOM 640 N LEU A 42 -2.375 0.742 7.717 1.00 0.00 N ATOM 641 CA LEU A 42 -1.246 -0.140 7.445 1.00 0.00 C ATOM 642 C LEU A 42 -1.052 -1.142 8.579 1.00 0.00 C ATOM 643 O LEU A 42 -0.821 -2.327 8.341 1.00 0.00 O ATOM 644 CB LEU A 42 0.030 0.679 7.244 1.00 0.00 C ATOM 645 CG LEU A 42 -0.107 1.869 6.292 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.046 2.842 6.482 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.172 1.391 4.849 1.00 0.00 C ATOM 0 H LEU A 42 -2.115 1.703 7.937 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.460 -0.694 6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.364 1.046 8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.811 0.019 6.866 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.036 2.390 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.931 3.681 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.047 3.209 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.988 2.334 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.269 2.250 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.740 0.845 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.033 0.735 4.722 1.00 0.00 H new ATOM 659 N SER A 43 -1.149 -0.660 9.813 1.00 0.00 N ATOM 660 CA SER A 43 -0.984 -1.516 10.983 1.00 0.00 C ATOM 661 C SER A 43 -2.223 -2.379 11.223 1.00 0.00 C ATOM 662 O SER A 43 -2.232 -3.228 12.115 1.00 0.00 O ATOM 663 CB SER A 43 -0.691 -0.668 12.222 1.00 0.00 C ATOM 664 OG SER A 43 0.303 -1.273 13.032 1.00 0.00 O ATOM 0 H SER A 43 -1.341 0.318 10.029 1.00 0.00 H new ATOM 0 HA SER A 43 -0.141 -2.180 10.793 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.361 0.325 11.917 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.605 -0.536 12.801 1.00 0.00 H new ATOM 0 HG SER A 43 0.473 -0.710 13.816 1.00 0.00 H new ATOM 670 N SER A 44 -3.270 -2.159 10.430 1.00 0.00 N ATOM 671 CA SER A 44 -4.506 -2.920 10.571 1.00 0.00 C ATOM 672 C SER A 44 -4.343 -4.348 10.054 1.00 0.00 C ATOM 673 O SER A 44 -5.162 -5.219 10.351 1.00 0.00 O ATOM 674 CB SER A 44 -5.645 -2.224 9.824 1.00 0.00 C ATOM 675 OG SER A 44 -6.401 -1.402 10.697 1.00 0.00 O ATOM 0 H SER A 44 -3.286 -1.462 9.686 1.00 0.00 H new ATOM 0 HA SER A 44 -4.747 -2.968 11.633 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.237 -1.620 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.295 -2.971 9.369 1.00 0.00 H new ATOM 0 HG SER A 44 -7.210 -1.095 10.238 1.00 0.00 H new ATOM 681 N PHE A 45 -3.284 -4.590 9.282 1.00 0.00 N ATOM 682 CA PHE A 45 -3.028 -5.919 8.733 1.00 0.00 C ATOM 683 C PHE A 45 -3.078 -6.982 9.827 1.00 0.00 C ATOM 684 O PHE A 45 -2.379 -6.882 10.836 1.00 0.00 O ATOM 685 CB PHE A 45 -1.666 -5.955 8.036 1.00 0.00 C ATOM 686 CG PHE A 45 -1.592 -5.093 6.806 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.645 -5.052 5.905 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.468 -4.324 6.553 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.577 -4.259 4.774 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.395 -3.529 5.425 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.450 -3.497 4.535 1.00 0.00 C ATOM 0 H PHE A 45 -2.593 -3.886 9.024 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.808 -6.136 8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.899 -5.634 8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.436 -6.984 7.762 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.528 -5.646 6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.361 -4.346 7.245 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.403 -4.236 4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.487 -2.933 5.240 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.394 -2.877 3.653 1.00 0.00 H new ATOM 701 N THR A 46 -3.909 -7.999 9.620 1.00 0.00 N ATOM 702 CA THR A 46 -4.053 -9.078 10.590 1.00 0.00 C ATOM 703 C THR A 46 -2.715 -9.763 10.850 1.00 0.00 C ATOM 704 O THR A 46 -2.430 -10.186 11.971 1.00 0.00 O ATOM 705 CB THR A 46 -5.075 -10.104 10.095 1.00 0.00 C ATOM 706 OG1 THR A 46 -6.286 -9.468 9.731 1.00 0.00 O ATOM 707 CG2 THR A 46 -5.403 -11.165 11.123 1.00 0.00 C ATOM 0 H THR A 46 -4.493 -8.098 8.789 1.00 0.00 H new ATOM 0 HA THR A 46 -4.405 -8.644 11.526 1.00 0.00 H new ATOM 0 HB THR A 46 -4.609 -10.586 9.236 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.241 -9.193 8.791 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.133 -11.860 10.708 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.496 -11.707 11.388 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.817 -10.693 12.014 1.00 0.00 H new ATOM 715 N LEU A 47 -1.897 -9.866 9.808 1.00 0.00 N ATOM 716 CA LEU A 47 -0.588 -10.499 9.923 1.00 0.00 C ATOM 717 C LEU A 47 -0.721 -11.942 10.401 1.00 0.00 C ATOM 718 O LEU A 47 0.162 -12.465 11.080 1.00 0.00 O ATOM 719 CB LEU A 47 0.299 -9.710 10.888 1.00 0.00 C ATOM 720 CG LEU A 47 0.899 -8.424 10.313 1.00 0.00 C ATOM 721 CD1 LEU A 47 0.893 -7.317 11.357 1.00 0.00 C ATOM 722 CD2 LEU A 47 2.312 -8.675 9.807 1.00 0.00 C ATOM 0 H LEU A 47 -2.117 -9.519 8.874 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.126 -10.504 8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.287 -9.456 11.771 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.112 -10.355 11.220 1.00 0.00 H new ATOM 0 HG LEU A 47 0.284 -8.104 9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.323 -6.411 10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.132 -7.119 11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.483 -7.627 12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.723 -7.750 9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.937 -9.020 10.630 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.289 -9.435 9.026 1.00 0.00 H new ATOM 734 N GLY A 48 -1.831 -12.578 10.042 1.00 0.00 N ATOM 735 CA GLY A 48 -2.060 -13.954 10.443 1.00 0.00 C ATOM 736 C GLY A 48 -1.303 -14.945 9.580 1.00 0.00 C ATOM 737 O GLY A 48 -0.154 -14.704 9.210 1.00 0.00 O ATOM 0 H GLY A 48 -2.576 -12.165 9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.760 -14.080 11.483 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.127 -14.172 10.390 1.00 0.00 H new ATOM 741 N THR A 49 -1.948 -16.063 9.262 1.00 0.00 N ATOM 742 CA THR A 49 -1.328 -17.095 8.439 1.00 0.00 C ATOM 743 C THR A 49 -2.050 -17.233 7.101 1.00 0.00 C ATOM 744 O THR A 49 -1.426 -17.496 6.073 1.00 0.00 O ATOM 745 CB THR A 49 -1.337 -18.436 9.176 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.178 -18.242 10.571 1.00 0.00 O ATOM 747 CG2 THR A 49 -0.245 -19.377 8.717 1.00 0.00 C ATOM 0 H THR A 49 -2.899 -16.277 9.562 1.00 0.00 H new ATOM 0 HA THR A 49 -0.297 -16.799 8.246 1.00 0.00 H new ATOM 0 HB THR A 49 -2.303 -18.886 8.947 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.188 -19.110 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.308 -20.309 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.367 -19.586 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.728 -18.916 8.887 1.00 0.00 H new ATOM 755 N GLY A 50 -3.367 -17.055 7.122 1.00 0.00 N ATOM 756 CA GLY A 50 -4.149 -17.164 5.905 1.00 0.00 C ATOM 757 C GLY A 50 -4.517 -15.812 5.328 1.00 0.00 C ATOM 758 O GLY A 50 -5.610 -15.636 4.788 1.00 0.00 O ATOM 0 H GLY A 50 -3.906 -16.837 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.585 -17.730 5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.059 -17.727 6.111 1.00 0.00 H new ATOM 762 N VAL A 51 -3.603 -14.855 5.442 1.00 0.00 N ATOM 763 CA VAL A 51 -3.834 -13.511 4.927 1.00 0.00 C ATOM 764 C VAL A 51 -2.522 -12.832 4.549 1.00 0.00 C ATOM 765 O VAL A 51 -1.607 -12.732 5.367 1.00 0.00 O ATOM 766 CB VAL A 51 -4.573 -12.636 5.957 1.00 0.00 C ATOM 767 CG1 VAL A 51 -4.988 -11.312 5.333 1.00 0.00 C ATOM 768 CG2 VAL A 51 -5.780 -13.371 6.517 1.00 0.00 C ATOM 0 H VAL A 51 -2.694 -14.985 5.887 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.454 -13.616 4.037 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.892 -12.426 6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.509 -10.707 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.102 -10.779 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.651 -11.500 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.288 -12.736 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.466 -13.616 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.453 -14.289 7.005 1.00 0.00 H new ATOM 778 N HIS A 52 -2.436 -12.368 3.307 1.00 0.00 N ATOM 779 CA HIS A 52 -1.234 -11.699 2.822 1.00 0.00 C ATOM 780 C HIS A 52 -1.416 -10.180 2.822 1.00 0.00 C ATOM 781 O HIS A 52 -2.316 -9.658 2.162 1.00 0.00 O ATOM 782 CB HIS A 52 -0.891 -12.181 1.411 1.00 0.00 C ATOM 783 CG HIS A 52 0.570 -12.110 1.094 1.00 0.00 C ATOM 784 ND1 HIS A 52 1.350 -11.009 1.380 1.00 0.00 N ATOM 785 CD2 HIS A 52 1.395 -13.013 0.513 1.00 0.00 C ATOM 786 CE1 HIS A 52 2.591 -11.238 0.989 1.00 0.00 C ATOM 787 NE2 HIS A 52 2.645 -12.446 0.460 1.00 0.00 N ATOM 0 H HIS A 52 -3.184 -12.443 2.618 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.414 -11.949 3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.230 -13.210 1.295 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.441 -11.580 0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.121 -13.995 0.158 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.420 -10.553 1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.480 -12.887 0.074 1.00 0.00 H new ATOM 796 N PRO A 53 -0.566 -9.446 3.563 1.00 0.00 N ATOM 797 CA PRO A 53 -0.647 -7.985 3.642 1.00 0.00 C ATOM 798 C PRO A 53 -0.060 -7.297 2.413 1.00 0.00 C ATOM 799 O PRO A 53 1.029 -7.642 1.956 1.00 0.00 O ATOM 800 CB PRO A 53 0.185 -7.660 4.881 1.00 0.00 C ATOM 801 CG PRO A 53 1.204 -8.746 4.941 1.00 0.00 C ATOM 802 CD PRO A 53 0.538 -9.980 4.387 1.00 0.00 C ATOM 0 HA PRO A 53 -1.678 -7.636 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.654 -6.680 4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.431 -7.644 5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.086 -8.484 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.537 -8.911 5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.230 -10.575 3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.167 -10.626 5.183 1.00 0.00 H new ATOM 810 N ILE A 54 -0.792 -6.319 1.887 1.00 0.00 N ATOM 811 CA ILE A 54 -0.355 -5.570 0.712 1.00 0.00 C ATOM 812 C ILE A 54 -0.743 -4.100 0.837 1.00 0.00 C ATOM 813 O ILE A 54 -1.608 -3.743 1.636 1.00 0.00 O ATOM 814 CB ILE A 54 -0.974 -6.130 -0.584 1.00 0.00 C ATOM 815 CG1 ILE A 54 -1.010 -7.658 -0.557 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.208 -5.635 -1.802 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.358 -8.302 -0.588 1.00 0.00 C ATOM 0 H ILE A 54 -1.696 -6.025 2.258 1.00 0.00 H new ATOM 0 HA ILE A 54 0.729 -5.669 0.660 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.000 -5.768 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.534 -7.984 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.588 -8.014 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.661 -6.042 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.243 -4.546 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.830 -5.962 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.250 -9.386 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.878 -8.007 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.933 -7.977 0.279 1.00 0.00 H new ATOM 829 N VAL A 55 -0.106 -3.250 0.037 1.00 0.00 N ATOM 830 CA VAL A 55 -0.393 -1.821 0.053 1.00 0.00 C ATOM 831 C VAL A 55 -0.443 -1.266 -1.367 1.00 0.00 C ATOM 832 O VAL A 55 0.225 -1.780 -2.265 1.00 0.00 O ATOM 833 CB VAL A 55 0.661 -1.038 0.861 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.263 0.425 0.984 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.857 -1.663 2.236 1.00 0.00 C ATOM 0 H VAL A 55 0.613 -3.527 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.364 -1.697 0.532 1.00 0.00 H new ATOM 0 HB VAL A 55 1.610 -1.089 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.019 0.961 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.182 0.865 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.698 0.499 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.605 -1.096 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.087 -1.648 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.194 -2.693 2.123 1.00 0.00 H new ATOM 845 N VAL A 56 -1.237 -0.219 -1.570 1.00 0.00 N ATOM 846 CA VAL A 56 -1.360 0.389 -2.891 1.00 0.00 C ATOM 847 C VAL A 56 -0.976 1.867 -2.860 1.00 0.00 C ATOM 848 O VAL A 56 -0.999 2.503 -1.806 1.00 0.00 O ATOM 849 CB VAL A 56 -2.790 0.258 -3.445 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.814 0.539 -4.941 1.00 0.00 C ATOM 851 CG2 VAL A 56 -3.362 -1.121 -3.147 1.00 0.00 C ATOM 0 H VAL A 56 -1.800 0.223 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.674 -0.150 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.416 0.999 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.834 0.441 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.455 1.551 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.170 -0.174 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.373 -1.190 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.735 -1.883 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.388 -1.279 -2.069 1.00 0.00 H new ATOM 861 N VAL A 57 -0.621 2.406 -4.024 1.00 0.00 N ATOM 862 CA VAL A 57 -0.228 3.809 -4.132 1.00 0.00 C ATOM 863 C VAL A 57 -0.564 4.378 -5.508 1.00 0.00 C ATOM 864 O VAL A 57 -1.105 3.682 -6.365 1.00 0.00 O ATOM 865 CB VAL A 57 1.280 3.997 -3.879 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.555 4.157 -2.392 1.00 0.00 C ATOM 867 CG2 VAL A 57 2.075 2.836 -4.460 1.00 0.00 C ATOM 0 H VAL A 57 -0.597 1.893 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.792 4.345 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 57 1.602 4.908 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.625 4.289 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.022 5.030 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.216 3.267 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.137 2.991 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.754 1.905 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.904 2.780 -5.535 1.00 0.00 H new ATOM 877 N GLN A 58 -0.232 5.652 -5.706 1.00 0.00 N ATOM 878 CA GLN A 58 -0.486 6.330 -6.975 1.00 0.00 C ATOM 879 C GLN A 58 -0.082 7.803 -6.888 1.00 0.00 C ATOM 880 O GLN A 58 -0.932 8.693 -6.945 1.00 0.00 O ATOM 881 CB GLN A 58 -1.964 6.212 -7.362 1.00 0.00 C ATOM 882 CG GLN A 58 -2.342 7.022 -8.593 1.00 0.00 C ATOM 883 CD GLN A 58 -2.996 6.180 -9.671 1.00 0.00 C ATOM 884 OE1 GLN A 58 -2.466 5.144 -10.072 1.00 0.00 O ATOM 885 NE2 GLN A 58 -4.156 6.621 -10.145 1.00 0.00 N ATOM 0 H GLN A 58 0.215 6.237 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 58 0.116 5.848 -7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.200 5.163 -7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.577 6.538 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.022 7.823 -8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.448 7.495 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.559 7.485 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.644 6.095 -10.870 1.00 0.00 H new ATOM 894 N PRO A 59 1.226 8.079 -6.749 1.00 0.00 N ATOM 895 CA PRO A 59 1.736 9.451 -6.655 1.00 0.00 C ATOM 896 C PRO A 59 1.249 10.329 -7.802 1.00 0.00 C ATOM 897 O PRO A 59 1.847 10.350 -8.877 1.00 0.00 O ATOM 898 CB PRO A 59 3.254 9.272 -6.726 1.00 0.00 C ATOM 899 CG PRO A 59 3.497 7.888 -6.235 1.00 0.00 C ATOM 900 CD PRO A 59 2.308 7.078 -6.672 1.00 0.00 C ATOM 0 HA PRO A 59 1.395 9.951 -5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.620 9.400 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.768 10.007 -6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.419 7.483 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.603 7.872 -5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.481 6.597 -7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.075 6.288 -5.958 1.00 0.00 H new ATOM 908 N ASP A 60 0.159 11.052 -7.566 1.00 0.00 N ATOM 909 CA ASP A 60 -0.408 11.933 -8.580 1.00 0.00 C ATOM 910 C ASP A 60 -1.300 12.993 -7.945 1.00 0.00 C ATOM 911 O ASP A 60 -1.223 14.172 -8.286 1.00 0.00 O ATOM 912 CB ASP A 60 -1.204 11.120 -9.604 1.00 0.00 C ATOM 913 CG ASP A 60 -0.838 11.472 -11.033 1.00 0.00 C ATOM 914 OD1 ASP A 60 -1.080 12.627 -11.441 1.00 0.00 O ATOM 915 OD2 ASP A 60 -0.308 10.591 -11.744 1.00 0.00 O ATOM 0 H ASP A 60 -0.349 11.045 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 60 0.414 12.437 -9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.026 10.058 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.269 11.293 -9.452 1.00 0.00 H new ATOM 920 N ALA A 61 -2.149 12.560 -7.022 1.00 0.00 N ATOM 921 CA ALA A 61 -3.060 13.467 -6.334 1.00 0.00 C ATOM 922 C ALA A 61 -2.752 13.532 -4.842 1.00 0.00 C ATOM 923 O ALA A 61 -3.660 13.590 -4.014 1.00 0.00 O ATOM 924 CB ALA A 61 -4.502 13.035 -6.560 1.00 0.00 C ATOM 0 H ALA A 61 -2.226 11.585 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.921 14.466 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.173 13.720 -6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.723 13.049 -7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.644 12.026 -6.174 1.00 0.00 H new ATOM 930 N TRP A 62 -1.466 13.522 -4.508 1.00 0.00 N ATOM 931 CA TRP A 62 -1.040 13.580 -3.115 1.00 0.00 C ATOM 932 C TRP A 62 -0.934 15.026 -2.640 1.00 0.00 C ATOM 933 O TRP A 62 -1.150 15.321 -1.464 1.00 0.00 O ATOM 934 CB TRP A 62 0.304 12.869 -2.940 1.00 0.00 C ATOM 935 CG TRP A 62 0.224 11.658 -2.063 1.00 0.00 C ATOM 936 CD1 TRP A 62 0.033 10.367 -2.463 1.00 0.00 C ATOM 937 CD2 TRP A 62 0.331 11.624 -0.635 1.00 0.00 C ATOM 938 NE1 TRP A 62 0.015 9.532 -1.372 1.00 0.00 N ATOM 939 CE2 TRP A 62 0.196 10.281 -0.237 1.00 0.00 C ATOM 940 CE3 TRP A 62 0.529 12.600 0.347 1.00 0.00 C ATOM 941 CZ2 TRP A 62 0.252 9.889 1.097 1.00 0.00 C ATOM 942 CZ3 TRP A 62 0.584 12.210 1.672 1.00 0.00 C ATOM 943 CH2 TRP A 62 0.447 10.865 2.037 1.00 0.00 C ATOM 0 H TRP A 62 -0.702 13.474 -5.182 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.790 13.072 -2.509 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.682 12.575 -3.919 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.025 13.569 -2.517 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.087 10.048 -3.488 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.112 8.520 -1.401 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.637 13.640 0.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.145 8.852 1.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.735 12.955 2.439 1.00 0.00 H new ATOM 0 HH2 TRP A 62 0.496 10.592 3.081 1.00 0.00 H new ATOM 954 N THR A 63 -0.602 15.926 -3.566 1.00 0.00 N ATOM 955 CA THR A 63 -0.465 17.350 -3.256 1.00 0.00 C ATOM 956 C THR A 63 0.868 17.657 -2.572 1.00 0.00 C ATOM 957 O THR A 63 1.187 18.818 -2.316 1.00 0.00 O ATOM 958 CB THR A 63 -1.622 17.823 -2.370 1.00 0.00 C ATOM 959 OG1 THR A 63 -2.831 17.185 -2.742 1.00 0.00 O ATOM 960 CG2 THR A 63 -1.852 19.317 -2.433 1.00 0.00 C ATOM 0 H THR A 63 -0.422 15.692 -4.542 1.00 0.00 H new ATOM 0 HA THR A 63 -0.492 17.889 -4.203 1.00 0.00 H new ATOM 0 HB THR A 63 -1.333 17.560 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.558 17.499 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.685 19.585 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.953 19.838 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.084 19.606 -3.458 1.00 0.00 H new ATOM 968 N GLU A 64 1.646 16.617 -2.275 1.00 0.00 N ATOM 969 CA GLU A 64 2.942 16.791 -1.622 1.00 0.00 C ATOM 970 C GLU A 64 2.813 17.656 -0.370 1.00 0.00 C ATOM 971 O GLU A 64 2.986 18.873 -0.424 1.00 0.00 O ATOM 972 CB GLU A 64 3.943 17.423 -2.591 1.00 0.00 C ATOM 973 CG GLU A 64 5.355 16.876 -2.448 1.00 0.00 C ATOM 974 CD GLU A 64 6.404 17.970 -2.424 1.00 0.00 C ATOM 975 OE1 GLU A 64 6.219 18.986 -3.127 1.00 0.00 O ATOM 976 OE2 GLU A 64 7.412 17.812 -1.703 1.00 0.00 O ATOM 0 H GLU A 64 1.402 15.647 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 64 3.304 15.807 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.600 17.259 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.961 18.501 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.423 16.292 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.563 16.196 -3.274 1.00 0.00 H new ATOM 983 N ASP A 65 2.508 17.017 0.755 1.00 0.00 N ATOM 984 CA ASP A 65 2.355 17.728 2.019 1.00 0.00 C ATOM 985 C ASP A 65 2.965 16.932 3.168 1.00 0.00 C ATOM 986 O ASP A 65 3.832 17.427 3.888 1.00 0.00 O ATOM 987 CB ASP A 65 0.877 17.999 2.300 1.00 0.00 C ATOM 988 CG ASP A 65 0.259 18.946 1.289 1.00 0.00 C ATOM 989 OD1 ASP A 65 0.953 19.894 0.864 1.00 0.00 O ATOM 990 OD2 ASP A 65 -0.917 18.740 0.924 1.00 0.00 O ATOM 0 H ASP A 65 2.362 16.009 0.817 1.00 0.00 H new ATOM 0 HA ASP A 65 2.883 18.678 1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.330 17.056 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.772 18.420 3.300 1.00 0.00 H new ATOM 995 N ASN A 66 2.506 15.695 3.334 1.00 0.00 N ATOM 996 CA ASN A 66 3.005 14.831 4.396 1.00 0.00 C ATOM 997 C ASN A 66 4.325 14.180 3.993 1.00 0.00 C ATOM 998 O ASN A 66 5.164 13.877 4.841 1.00 0.00 O ATOM 999 CB ASN A 66 1.973 13.755 4.734 1.00 0.00 C ATOM 1000 CG ASN A 66 1.886 13.484 6.223 1.00 0.00 C ATOM 1001 OD1 ASN A 66 2.893 13.511 6.930 1.00 0.00 O ATOM 1002 ND2 ASN A 66 0.677 13.222 6.708 1.00 0.00 N ATOM 0 H ASN A 66 1.789 15.270 2.746 1.00 0.00 H new ATOM 0 HA ASN A 66 3.179 15.446 5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.995 14.065 4.366 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.231 12.832 4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.557 13.033 7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.131 13.210 6.085 1.00 0.00 H new ATOM 1009 N GLY A 67 4.503 13.966 2.693 1.00 0.00 N ATOM 1010 CA GLY A 67 5.722 13.350 2.202 1.00 0.00 C ATOM 1011 C GLY A 67 5.519 11.903 1.804 1.00 0.00 C ATOM 1012 O GLY A 67 5.228 11.055 2.648 1.00 0.00 O ATOM 0 H GLY A 67 3.825 14.208 1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.089 13.912 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.491 13.407 2.973 1.00 0.00 H new ATOM 1016 N PHE A 68 5.671 11.618 0.515 1.00 0.00 N ATOM 1017 CA PHE A 68 5.501 10.261 0.008 1.00 0.00 C ATOM 1018 C PHE A 68 6.793 9.452 0.127 1.00 0.00 C ATOM 1019 O PHE A 68 6.825 8.270 -0.215 1.00 0.00 O ATOM 1020 CB PHE A 68 5.042 10.295 -1.452 1.00 0.00 C ATOM 1021 CG PHE A 68 4.611 8.954 -1.972 1.00 0.00 C ATOM 1022 CD1 PHE A 68 3.302 8.524 -1.819 1.00 0.00 C ATOM 1023 CD2 PHE A 68 5.515 8.121 -2.612 1.00 0.00 C ATOM 1024 CE1 PHE A 68 2.904 7.290 -2.294 1.00 0.00 C ATOM 1025 CE2 PHE A 68 5.123 6.886 -3.090 1.00 0.00 C ATOM 1026 CZ PHE A 68 3.815 6.470 -2.931 1.00 0.00 C ATOM 0 H PHE A 68 5.911 12.308 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 68 4.739 9.773 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.214 10.997 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.855 10.673 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.585 9.161 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.539 8.442 -2.738 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.881 6.966 -2.168 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.837 6.247 -3.587 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.505 5.505 -3.304 1.00 0.00 H new ATOM 1036 N HIS A 69 7.856 10.090 0.610 1.00 0.00 N ATOM 1037 CA HIS A 69 9.141 9.416 0.767 1.00 0.00 C ATOM 1038 C HIS A 69 9.200 8.656 2.090 1.00 0.00 C ATOM 1039 O HIS A 69 10.087 8.885 2.913 1.00 0.00 O ATOM 1040 CB HIS A 69 10.284 10.430 0.693 1.00 0.00 C ATOM 1041 CG HIS A 69 10.534 10.949 -0.689 1.00 0.00 C ATOM 1042 ND1 HIS A 69 11.449 11.943 -0.968 1.00 0.00 N ATOM 1043 CD2 HIS A 69 9.982 10.606 -1.878 1.00 0.00 C ATOM 1044 CE1 HIS A 69 11.449 12.189 -2.266 1.00 0.00 C ATOM 1045 NE2 HIS A 69 10.569 11.391 -2.840 1.00 0.00 N ATOM 0 H HIS A 69 7.853 11.068 0.898 1.00 0.00 H new ATOM 0 HA HIS A 69 9.249 8.698 -0.046 1.00 0.00 H new ATOM 0 HB2 HIS A 69 10.058 11.268 1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 69 11.196 9.966 1.069 1.00 0.00 H new ATOM 0 HD2 HIS A 69 9.222 9.855 -2.039 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.064 12.919 -2.771 1.00 0.00 H new ATOM 0 HE2 HIS A 69 10.359 11.362 -3.838 1.00 0.00 H new ATOM 1054 N ALA A 70 8.247 7.750 2.288 1.00 0.00 N ATOM 1055 CA ALA A 70 8.188 6.954 3.509 1.00 0.00 C ATOM 1056 C ALA A 70 7.016 5.977 3.468 1.00 0.00 C ATOM 1057 O ALA A 70 6.354 5.744 4.479 1.00 0.00 O ATOM 1058 CB ALA A 70 8.078 7.861 4.726 1.00 0.00 C ATOM 0 H ALA A 70 7.505 7.549 1.618 1.00 0.00 H new ATOM 0 HA ALA A 70 9.109 6.376 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.035 7.253 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.947 8.517 4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.173 8.463 4.650 1.00 0.00 H new ATOM 1064 N ILE A 71 6.768 5.410 2.292 1.00 0.00 N ATOM 1065 CA ILE A 71 5.678 4.459 2.118 1.00 0.00 C ATOM 1066 C ILE A 71 5.978 3.148 2.837 1.00 0.00 C ATOM 1067 O ILE A 71 5.319 2.802 3.817 1.00 0.00 O ATOM 1068 CB ILE A 71 5.418 4.171 0.628 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.360 5.476 -0.169 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.126 3.386 0.459 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.320 6.452 0.337 1.00 0.00 C ATOM 0 H ILE A 71 7.307 5.593 1.446 1.00 0.00 H new ATOM 0 HA ILE A 71 4.786 4.912 2.551 1.00 0.00 H new ATOM 0 HB ILE A 71 6.242 3.570 0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.339 5.954 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.151 5.245 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.955 3.190 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.202 2.440 0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.294 3.965 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.337 7.353 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.333 5.993 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.540 6.714 1.372 1.00 0.00 H new ATOM 1083 N GLY A 72 6.978 2.425 2.344 1.00 0.00 N ATOM 1084 CA GLY A 72 7.349 1.161 2.954 1.00 0.00 C ATOM 1085 C GLY A 72 7.906 1.337 4.354 1.00 0.00 C ATOM 1086 O GLY A 72 7.856 0.414 5.168 1.00 0.00 O ATOM 0 H GLY A 72 7.538 2.691 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.476 0.509 2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.092 0.664 2.330 1.00 0.00 H new ATOM 1090 N GLN A 73 8.438 2.522 4.635 1.00 0.00 N ATOM 1091 CA GLN A 73 9.006 2.814 5.946 1.00 0.00 C ATOM 1092 C GLN A 73 7.909 2.932 7.001 1.00 0.00 C ATOM 1093 O GLN A 73 8.140 2.670 8.181 1.00 0.00 O ATOM 1094 CB GLN A 73 9.826 4.105 5.893 1.00 0.00 C ATOM 1095 CG GLN A 73 11.326 3.878 5.994 1.00 0.00 C ATOM 1096 CD GLN A 73 12.021 4.938 6.825 1.00 0.00 C ATOM 1097 OE1 GLN A 73 12.336 6.021 6.333 1.00 0.00 O ATOM 1098 NE2 GLN A 73 12.263 4.630 8.094 1.00 0.00 N ATOM 0 H GLN A 73 8.488 3.296 3.972 1.00 0.00 H new ATOM 0 HA GLN A 73 9.661 1.989 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.608 4.626 4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.511 4.760 6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.513 2.898 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.756 3.867 4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.984 3.720 8.460 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.728 5.304 8.703 1.00 0.00 H new ATOM 1107 N MET A 74 6.715 3.328 6.568 1.00 0.00 N ATOM 1108 CA MET A 74 5.585 3.481 7.478 1.00 0.00 C ATOM 1109 C MET A 74 4.738 2.213 7.518 1.00 0.00 C ATOM 1110 O MET A 74 4.259 1.808 8.577 1.00 0.00 O ATOM 1111 CB MET A 74 4.722 4.671 7.056 1.00 0.00 C ATOM 1112 CG MET A 74 5.258 6.010 7.532 1.00 0.00 C ATOM 1113 SD MET A 74 3.946 7.178 7.940 1.00 0.00 S ATOM 1114 CE MET A 74 3.354 7.607 6.304 1.00 0.00 C ATOM 0 H MET A 74 6.506 3.548 5.594 1.00 0.00 H new ATOM 0 HA MET A 74 5.980 3.662 8.478 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.645 4.686 5.969 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.713 4.534 7.445 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.886 5.854 8.409 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.893 6.439 6.757 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.538 8.324 6.389 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.167 8.048 5.727 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.997 6.709 5.799 1.00 0.00 H new ATOM 1124 N CYS A 75 4.558 1.588 6.358 1.00 0.00 N ATOM 1125 CA CYS A 75 3.769 0.366 6.264 1.00 0.00 C ATOM 1126 C CYS A 75 4.670 -0.865 6.258 1.00 0.00 C ATOM 1127 O CYS A 75 5.787 -0.826 5.742 1.00 0.00 O ATOM 1128 CB CYS A 75 2.902 0.386 5.004 1.00 0.00 C ATOM 1129 SG CYS A 75 3.836 0.320 3.457 1.00 0.00 S ATOM 0 H CYS A 75 4.948 1.908 5.471 1.00 0.00 H new ATOM 0 HA CYS A 75 3.121 0.315 7.139 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.215 -0.460 5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.294 1.291 5.010 1.00 0.00 H new ATOM 0 HG CYS A 75 4.698 1.293 3.429 1.00 0.00 H new ATOM 1135 N GLU A 76 4.178 -1.956 6.834 1.00 0.00 N ATOM 1136 CA GLU A 76 4.939 -3.198 6.895 1.00 0.00 C ATOM 1137 C GLU A 76 4.479 -4.171 5.814 1.00 0.00 C ATOM 1138 O GLU A 76 4.400 -5.378 6.043 1.00 0.00 O ATOM 1139 CB GLU A 76 4.793 -3.844 8.274 1.00 0.00 C ATOM 1140 CG GLU A 76 6.059 -4.532 8.759 1.00 0.00 C ATOM 1141 CD GLU A 76 6.583 -3.943 10.055 1.00 0.00 C ATOM 1142 OE1 GLU A 76 6.299 -2.758 10.326 1.00 0.00 O ATOM 1143 OE2 GLU A 76 7.278 -4.669 10.797 1.00 0.00 O ATOM 0 H GLU A 76 3.255 -2.005 7.266 1.00 0.00 H new ATOM 0 HA GLU A 76 5.989 -2.960 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.505 -3.080 8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.983 -4.573 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.859 -5.594 8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.828 -4.453 7.991 1.00 0.00 H new ATOM 1150 N ALA A 77 4.177 -3.638 4.635 1.00 0.00 N ATOM 1151 CA ALA A 77 3.725 -4.461 3.520 1.00 0.00 C ATOM 1152 C ALA A 77 4.190 -3.887 2.184 1.00 0.00 C ATOM 1153 O ALA A 77 4.687 -2.762 2.121 1.00 0.00 O ATOM 1154 CB ALA A 77 2.209 -4.594 3.546 1.00 0.00 C ATOM 0 H ALA A 77 4.237 -2.641 4.427 1.00 0.00 H new ATOM 0 HA ALA A 77 4.168 -5.451 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.883 -5.211 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.901 -5.061 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.756 -3.606 3.467 1.00 0.00 H new ATOM 1160 N PRO A 78 4.034 -4.658 1.095 1.00 0.00 N ATOM 1161 CA PRO A 78 4.439 -4.227 -0.246 1.00 0.00 C ATOM 1162 C PRO A 78 3.480 -3.202 -0.843 1.00 0.00 C ATOM 1163 O PRO A 78 2.275 -3.439 -0.924 1.00 0.00 O ATOM 1164 CB PRO A 78 4.397 -5.523 -1.053 1.00 0.00 C ATOM 1165 CG PRO A 78 3.355 -6.345 -0.378 1.00 0.00 C ATOM 1166 CD PRO A 78 3.451 -6.014 1.086 1.00 0.00 C ATOM 0 HA PRO A 78 5.412 -3.736 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.141 -5.334 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.364 -6.026 -1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.363 -6.114 -0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.524 -7.408 -0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.473 -6.034 1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.082 -6.726 1.618 1.00 0.00 H new ATOM 1174 N VAL A 79 4.023 -2.065 -1.264 1.00 0.00 N ATOM 1175 CA VAL A 79 3.215 -1.008 -1.859 1.00 0.00 C ATOM 1176 C VAL A 79 3.278 -1.074 -3.383 1.00 0.00 C ATOM 1177 O VAL A 79 4.349 -1.270 -3.955 1.00 0.00 O ATOM 1178 CB VAL A 79 3.677 0.390 -1.398 1.00 0.00 C ATOM 1179 CG1 VAL A 79 2.640 1.437 -1.765 1.00 0.00 C ATOM 1180 CG2 VAL A 79 3.955 0.408 0.100 1.00 0.00 C ATOM 0 H VAL A 79 5.019 -1.852 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 79 2.189 -1.166 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 79 4.608 0.628 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.980 2.418 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.501 1.448 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.694 1.198 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.279 1.405 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.047 0.145 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.739 -0.313 0.333 1.00 0.00 H new ATOM 1190 N VAL A 80 2.130 -0.914 -4.040 1.00 0.00 N ATOM 1191 CA VAL A 80 2.081 -0.967 -5.498 1.00 0.00 C ATOM 1192 C VAL A 80 1.004 -0.044 -6.059 1.00 0.00 C ATOM 1193 O VAL A 80 0.065 0.325 -5.359 1.00 0.00 O ATOM 1194 CB VAL A 80 1.804 -2.398 -5.999 1.00 0.00 C ATOM 1195 CG1 VAL A 80 2.964 -3.323 -5.668 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.506 -2.927 -5.407 1.00 0.00 C ATOM 0 H VAL A 80 1.230 -0.748 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 80 3.059 -0.638 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 80 1.700 -2.366 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.744 -4.327 -6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.871 -2.954 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.109 -3.352 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.326 -3.938 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.581 -2.941 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.320 -2.281 -5.706 1.00 0.00 H new ATOM 1206 N THR A 81 1.134 0.312 -7.330 1.00 0.00 N ATOM 1207 CA THR A 81 0.158 1.176 -7.982 1.00 0.00 C ATOM 1208 C THR A 81 -1.128 0.404 -8.260 1.00 0.00 C ATOM 1209 O THR A 81 -1.123 -0.827 -8.300 1.00 0.00 O ATOM 1210 CB THR A 81 0.725 1.737 -9.289 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.669 0.765 -10.317 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.163 2.196 -9.170 1.00 0.00 C ATOM 0 H THR A 81 1.904 0.017 -7.930 1.00 0.00 H new ATOM 0 HA THR A 81 -0.066 2.008 -7.314 1.00 0.00 H new ATOM 0 HB THR A 81 0.103 2.600 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.034 1.143 -11.144 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.502 2.582 -10.131 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.233 2.982 -8.418 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.790 1.355 -8.875 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.230 1.125 -8.449 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.519 0.490 -8.717 1.00 0.00 C ATOM 1222 C ARG A 82 -3.431 -0.476 -9.896 1.00 0.00 C ATOM 1223 O ARG A 82 -4.251 -1.385 -10.020 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.599 1.540 -8.987 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.141 2.681 -9.886 1.00 0.00 C ATOM 1226 CD ARG A 82 -4.798 2.607 -11.253 1.00 0.00 C ATOM 1227 NE ARG A 82 -4.589 3.825 -12.031 1.00 0.00 N ATOM 1228 CZ ARG A 82 -5.278 4.131 -13.129 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -6.215 3.308 -13.584 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -5.027 5.261 -13.775 1.00 0.00 N ATOM 0 H ARG A 82 -2.258 2.144 -8.422 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.791 -0.077 -7.827 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.459 1.052 -9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.936 1.953 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.381 3.635 -9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.057 2.645 -9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.397 1.754 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.867 2.434 -11.132 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.874 4.480 -11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.410 2.436 -13.092 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.739 3.548 -14.425 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.306 5.896 -13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.554 5.496 -14.616 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.436 -0.277 -10.763 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.254 -1.142 -11.928 1.00 0.00 C ATOM 1246 C GLU A 83 -2.361 -2.611 -11.533 1.00 0.00 C ATOM 1247 O GLU A 83 -2.928 -3.421 -12.263 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.901 -0.875 -12.588 1.00 0.00 C ATOM 1249 CG GLU A 83 -0.927 0.267 -13.591 1.00 0.00 C ATOM 1250 CD GLU A 83 -0.891 -0.216 -15.027 1.00 0.00 C ATOM 1251 OE1 GLU A 83 -1.519 -1.256 -15.319 1.00 0.00 O ATOM 1252 OE2 GLU A 83 -0.236 0.444 -15.860 1.00 0.00 O ATOM 0 H GLU A 83 -1.748 0.471 -10.680 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.045 -0.916 -12.643 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.167 -0.651 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.567 -1.782 -13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.827 0.862 -13.435 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.075 0.923 -13.411 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.828 -2.941 -10.363 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.883 -4.306 -9.859 1.00 0.00 C ATOM 1261 C TRP A 84 -3.327 -4.711 -9.627 1.00 0.00 C ATOM 1262 O TRP A 84 -3.816 -5.695 -10.182 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.113 -4.412 -8.544 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.117 -5.791 -7.957 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.379 -6.863 -8.368 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.904 -6.246 -6.850 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.657 -7.956 -7.585 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.592 -7.603 -6.645 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.842 -5.638 -6.011 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.184 -8.360 -5.636 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.430 -6.390 -5.011 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.099 -7.737 -4.830 1.00 0.00 C ATOM 0 H TRP A 84 -1.353 -2.282 -9.746 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.431 -4.970 -10.596 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.082 -4.100 -8.710 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.544 -3.718 -7.823 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.322 -6.853 -9.190 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.237 -8.880 -7.686 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.103 -4.598 -6.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.930 -9.400 -5.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.157 -5.930 -4.359 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.575 -8.297 -4.038 1.00 0.00 H new ATOM 1283 N VAL A 85 -3.998 -3.927 -8.799 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.396 -4.165 -8.466 1.00 0.00 C ATOM 1285 C VAL A 85 -6.258 -4.261 -9.721 1.00 0.00 C ATOM 1286 O VAL A 85 -7.169 -5.083 -9.797 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.947 -3.046 -7.558 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.399 -3.311 -7.187 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.090 -2.906 -6.308 1.00 0.00 C ATOM 0 H VAL A 85 -3.593 -3.111 -8.340 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.439 -5.115 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.908 -2.108 -8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.763 -2.508 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.004 -3.356 -8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.471 -4.260 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.492 -2.112 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.096 -3.846 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.067 -2.659 -6.594 1.00 0.00 H new ATOM 1299 N LEU A 86 -5.965 -3.417 -10.703 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.718 -3.411 -11.952 1.00 0.00 C ATOM 1301 C LEU A 86 -6.304 -4.576 -12.845 1.00 0.00 C ATOM 1302 O LEU A 86 -7.150 -5.302 -13.368 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.516 -2.087 -12.690 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.742 -1.575 -13.450 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -7.880 -0.068 -13.291 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.653 -1.952 -14.921 1.00 0.00 C ATOM 0 H LEU A 86 -5.213 -2.729 -10.659 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.775 -3.523 -11.709 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.212 -1.329 -11.968 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.693 -2.204 -13.395 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.630 -2.046 -13.027 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.757 0.277 -13.838 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.992 0.178 -12.235 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.990 0.422 -13.686 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.533 -1.580 -15.446 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.757 -1.510 -15.356 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.605 -3.037 -15.016 1.00 0.00 H new ATOM 1318 N ASP A 87 -4.999 -4.747 -13.016 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.472 -5.823 -13.846 1.00 0.00 C ATOM 1320 C ASP A 87 -4.904 -7.184 -13.308 1.00 0.00 C ATOM 1321 O ASP A 87 -5.163 -8.112 -14.074 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.945 -5.745 -13.906 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.356 -6.697 -14.930 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -2.969 -7.757 -15.176 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.282 -6.382 -15.484 1.00 0.00 O ATOM 0 H ASP A 87 -4.286 -4.154 -12.591 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.875 -5.706 -14.852 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.645 -4.725 -14.148 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.534 -5.974 -12.923 1.00 0.00 H new ATOM 1330 N SER A 88 -4.976 -7.294 -11.986 1.00 0.00 N ATOM 1331 CA SER A 88 -5.376 -8.542 -11.346 1.00 0.00 C ATOM 1332 C SER A 88 -6.884 -8.746 -11.428 1.00 0.00 C ATOM 1333 O SER A 88 -7.352 -9.824 -11.791 1.00 0.00 O ATOM 1334 CB SER A 88 -4.931 -8.558 -9.882 1.00 0.00 C ATOM 1335 OG SER A 88 -3.523 -8.425 -9.774 1.00 0.00 O ATOM 0 H SER A 88 -4.763 -6.536 -11.338 1.00 0.00 H new ATOM 0 HA SER A 88 -4.889 -9.359 -11.879 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.418 -7.746 -9.342 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.248 -9.489 -9.413 1.00 0.00 H new ATOM 0 HG SER A 88 -3.272 -7.486 -9.901 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.643 -7.710 -11.085 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.099 -7.788 -11.120 1.00 0.00 C ATOM 1343 C VAL A 89 -9.622 -7.823 -12.555 1.00 0.00 C ATOM 1344 O VAL A 89 -10.706 -8.344 -12.816 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.743 -6.602 -10.370 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.263 -6.686 -10.428 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.263 -6.564 -8.927 1.00 0.00 C ATOM 0 H VAL A 89 -7.275 -6.809 -10.780 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.377 -8.716 -10.621 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.436 -5.679 -10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.695 -5.840 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.589 -6.663 -11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.594 -7.616 -9.965 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.726 -5.722 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.539 -7.492 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.179 -6.450 -8.907 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.848 -7.266 -13.482 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.241 -7.238 -14.886 1.00 0.00 C ATOM 1359 C ALA A 90 -9.179 -8.633 -15.500 1.00 0.00 C ATOM 1360 O ALA A 90 -10.187 -9.162 -15.970 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.355 -6.276 -15.662 1.00 0.00 C ATOM 0 H ALA A 90 -7.947 -6.829 -13.286 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.272 -6.890 -14.944 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.659 -6.265 -16.709 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.453 -5.274 -15.245 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.316 -6.599 -15.590 1.00 0.00 H new ATOM 1367 N LEU A 91 -7.989 -9.221 -15.492 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.788 -10.556 -16.046 1.00 0.00 C ATOM 1369 C LEU A 91 -8.121 -11.636 -15.017 1.00 0.00 C ATOM 1370 O LEU A 91 -8.339 -12.796 -15.368 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.342 -10.712 -16.520 1.00 0.00 C ATOM 1372 CG LEU A 91 -6.011 -12.056 -17.172 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -6.388 -12.040 -18.646 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -4.534 -12.379 -17.001 1.00 0.00 C ATOM 0 H LEU A 91 -7.146 -8.794 -15.107 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.461 -10.677 -16.894 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.122 -9.917 -17.233 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.679 -10.567 -15.667 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.593 -12.834 -16.678 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.146 -13.004 -19.094 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.457 -11.852 -18.746 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.832 -11.253 -19.155 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.315 -13.338 -17.470 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.934 -11.600 -17.471 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.294 -12.431 -15.939 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.154 -11.250 -13.743 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.455 -12.182 -12.660 1.00 0.00 C ATOM 1388 C TYR A 92 -7.274 -13.116 -12.409 1.00 0.00 C ATOM 1389 O TYR A 92 -7.282 -14.273 -12.827 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.716 -12.994 -12.976 1.00 0.00 C ATOM 1391 CG TYR A 92 -10.812 -12.845 -11.940 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.509 -12.695 -10.591 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.150 -12.857 -12.315 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.510 -12.559 -9.647 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.155 -12.720 -11.376 1.00 0.00 C ATOM 1396 CZ TYR A 92 -12.830 -12.573 -10.044 1.00 0.00 C ATOM 1397 OH TYR A 92 -13.828 -12.437 -9.106 1.00 0.00 O ATOM 0 H TYR A 92 -7.975 -10.294 -13.435 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.636 -11.601 -11.756 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.102 -12.685 -13.947 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.448 -14.047 -13.059 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.476 -12.685 -10.276 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.409 -12.975 -13.357 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.259 -12.442 -8.603 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.190 -12.728 -11.684 1.00 0.00 H new ATOM 0 HH TYR A 92 -14.701 -12.467 -9.550 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.260 -12.602 -11.721 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.069 -13.383 -11.411 1.00 0.00 C ATOM 1409 C GLN A 93 -4.096 -12.573 -10.562 1.00 0.00 C ATOM 1410 O GLN A 93 -3.853 -11.396 -10.833 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.382 -13.840 -12.699 1.00 0.00 C ATOM 1412 CG GLN A 93 -3.480 -15.048 -12.511 1.00 0.00 C ATOM 1413 CD GLN A 93 -4.110 -16.331 -13.021 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -3.807 -16.789 -14.123 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -4.993 -16.916 -12.220 1.00 0.00 N ATOM 0 H GLN A 93 -6.240 -11.646 -11.367 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.378 -14.260 -10.843 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.143 -14.077 -13.442 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.792 -13.015 -13.099 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.538 -14.878 -13.032 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.244 -15.159 -11.453 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.214 -16.501 -11.315 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.450 -17.780 -12.510 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.542 -13.208 -9.535 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.595 -12.543 -8.647 1.00 0.00 C ATOM 1426 C CYS A 94 -1.362 -12.081 -9.416 1.00 0.00 C ATOM 1427 O CYS A 94 -0.358 -12.789 -9.481 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.182 -13.482 -7.513 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.231 -12.681 -6.201 1.00 0.00 S ATOM 0 H CYS A 94 -3.732 -14.181 -9.297 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.086 -11.667 -8.223 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.078 -13.926 -7.079 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.591 -14.298 -7.929 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.930 -13.555 -5.287 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.444 -10.888 -9.998 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.334 -10.333 -10.764 1.00 0.00 C ATOM 1437 C GLN A 95 0.848 -10.011 -9.855 1.00 0.00 C ATOM 1438 O GLN A 95 0.701 -9.930 -8.635 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.777 -9.071 -11.506 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.962 -9.295 -12.431 1.00 0.00 C ATOM 1441 CD GLN A 95 -1.632 -10.216 -13.590 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -2.293 -11.235 -13.795 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -0.606 -9.862 -14.353 1.00 0.00 N ATOM 0 H GLN A 95 -2.267 -10.288 -9.953 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.019 -11.082 -11.491 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.035 -8.303 -10.777 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.061 -8.689 -12.089 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.789 -9.718 -11.860 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.301 -8.335 -12.820 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.087 -9.009 -14.146 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.337 -10.443 -15.147 1.00 0.00 H new ATOM 1452 N GLU A 96 2.019 -9.827 -10.456 1.00 0.00 N ATOM 1453 CA GLU A 96 3.225 -9.512 -9.700 1.00 0.00 C ATOM 1454 C GLU A 96 3.195 -8.069 -9.206 1.00 0.00 C ATOM 1455 O GLU A 96 2.761 -7.167 -9.922 1.00 0.00 O ATOM 1456 CB GLU A 96 4.469 -9.745 -10.561 1.00 0.00 C ATOM 1457 CG GLU A 96 4.372 -9.135 -11.950 1.00 0.00 C ATOM 1458 CD GLU A 96 4.333 -10.183 -13.047 1.00 0.00 C ATOM 1459 OE1 GLU A 96 5.364 -10.853 -13.264 1.00 0.00 O ATOM 1460 OE2 GLU A 96 3.271 -10.332 -13.688 1.00 0.00 O ATOM 0 H GLU A 96 2.158 -9.891 -11.464 1.00 0.00 H new ATOM 0 HA GLU A 96 3.264 -10.173 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.337 -9.328 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.639 -10.817 -10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.475 -8.518 -12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.224 -8.475 -12.113 1.00 0.00 H new ATOM 1467 N LEU A 97 3.656 -7.860 -7.978 1.00 0.00 N ATOM 1468 CA LEU A 97 3.679 -6.527 -7.386 1.00 0.00 C ATOM 1469 C LEU A 97 4.919 -5.753 -7.824 1.00 0.00 C ATOM 1470 O LEU A 97 4.898 -4.526 -7.911 1.00 0.00 O ATOM 1471 CB LEU A 97 3.637 -6.626 -5.859 1.00 0.00 C ATOM 1472 CG LEU A 97 2.236 -6.760 -5.259 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.906 -8.220 -4.995 1.00 0.00 C ATOM 1474 CD2 LEU A 97 2.123 -5.946 -3.977 1.00 0.00 C ATOM 0 H LEU A 97 4.019 -8.596 -7.373 1.00 0.00 H new ATOM 0 HA LEU A 97 2.798 -5.988 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.233 -7.485 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.113 -5.740 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 97 1.516 -6.370 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.906 -8.296 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.944 -8.777 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.631 -8.636 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.120 -6.054 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.854 -6.305 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.315 -4.895 -4.195 1.00 0.00 H new ATOM 1486 N ASP A 98 5.998 -6.479 -8.096 1.00 0.00 N ATOM 1487 CA ASP A 98 7.249 -5.863 -8.524 1.00 0.00 C ATOM 1488 C ASP A 98 7.051 -5.040 -9.795 1.00 0.00 C ATOM 1489 O ASP A 98 7.761 -4.061 -10.029 1.00 0.00 O ATOM 1490 CB ASP A 98 8.313 -6.935 -8.761 1.00 0.00 C ATOM 1491 CG ASP A 98 7.798 -8.082 -9.608 1.00 0.00 C ATOM 1492 OD1 ASP A 98 7.410 -7.834 -10.769 1.00 0.00 O ATOM 1493 OD2 ASP A 98 7.784 -9.228 -9.112 1.00 0.00 O ATOM 0 H ASP A 98 6.031 -7.496 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 98 7.582 -5.194 -7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.176 -6.484 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.656 -7.321 -7.801 1.00 0.00 H new ATOM 1498 N THR A 99 6.086 -5.446 -10.613 1.00 0.00 N ATOM 1499 CA THR A 99 5.800 -4.749 -11.863 1.00 0.00 C ATOM 1500 C THR A 99 5.128 -3.400 -11.610 1.00 0.00 C ATOM 1501 O THR A 99 5.099 -2.541 -12.491 1.00 0.00 O ATOM 1502 CB THR A 99 4.909 -5.612 -12.759 1.00 0.00 C ATOM 1503 OG1 THR A 99 4.003 -6.373 -11.981 1.00 0.00 O ATOM 1504 CG2 THR A 99 5.689 -6.574 -13.628 1.00 0.00 C ATOM 0 H THR A 99 5.489 -6.253 -10.434 1.00 0.00 H new ATOM 0 HA THR A 99 6.750 -4.566 -12.365 1.00 0.00 H new ATOM 0 HB THR A 99 4.381 -4.910 -13.405 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.138 -5.915 -11.945 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.998 -7.155 -14.238 1.00 0.00 H new ATOM 0 HG22 THR A 99 6.363 -6.014 -14.276 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.269 -7.247 -12.996 1.00 0.00 H new ATOM 1512 N TYR A 100 4.588 -3.217 -10.408 1.00 0.00 N ATOM 1513 CA TYR A 100 3.919 -1.967 -10.058 1.00 0.00 C ATOM 1514 C TYR A 100 4.288 -1.522 -8.646 1.00 0.00 C ATOM 1515 O TYR A 100 3.556 -0.758 -8.017 1.00 0.00 O ATOM 1516 CB TYR A 100 2.401 -2.127 -10.170 1.00 0.00 C ATOM 1517 CG TYR A 100 1.959 -2.877 -11.407 1.00 0.00 C ATOM 1518 CD1 TYR A 100 1.969 -2.267 -12.655 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.529 -4.196 -11.324 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.564 -2.950 -13.786 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.124 -4.886 -12.451 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.143 -4.259 -13.679 1.00 0.00 C ATOM 1523 OH TYR A 100 0.739 -4.942 -14.803 1.00 0.00 O ATOM 0 H TYR A 100 4.600 -3.914 -9.663 1.00 0.00 H new ATOM 0 HA TYR A 100 4.253 -1.202 -10.759 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.034 -2.651 -9.288 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.939 -1.140 -10.170 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.299 -1.242 -12.743 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.511 -4.690 -10.364 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.577 -2.461 -14.749 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.794 -5.911 -12.370 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.124 -5.373 -14.631 1.00 0.00 H new ATOM 1533 N LEU A 101 5.425 -2.002 -8.152 1.00 0.00 N ATOM 1534 CA LEU A 101 5.887 -1.651 -6.814 1.00 0.00 C ATOM 1535 C LEU A 101 6.689 -0.352 -6.841 1.00 0.00 C ATOM 1536 O LEU A 101 7.695 -0.247 -7.541 1.00 0.00 O ATOM 1537 CB LEU A 101 6.743 -2.783 -6.239 1.00 0.00 C ATOM 1538 CG LEU A 101 6.270 -3.341 -4.895 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.443 -4.852 -4.851 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.026 -2.685 -3.749 1.00 0.00 C ATOM 0 H LEU A 101 6.043 -2.635 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 101 5.014 -1.504 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.772 -3.598 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.765 -2.422 -6.125 1.00 0.00 H new ATOM 0 HG LEU A 101 5.210 -3.114 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.101 -5.229 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.857 -5.309 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.495 -5.102 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.676 -3.094 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.093 -2.881 -3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.851 -1.609 -3.766 1.00 0.00 H new ATOM 1552 N ILE A 102 6.237 0.634 -6.072 1.00 0.00 N ATOM 1553 CA ILE A 102 6.913 1.923 -6.007 1.00 0.00 C ATOM 1554 C ILE A 102 8.167 1.843 -5.135 1.00 0.00 C ATOM 1555 O ILE A 102 8.073 1.650 -3.924 1.00 0.00 O ATOM 1556 CB ILE A 102 5.983 3.017 -5.447 1.00 0.00 C ATOM 1557 CG1 ILE A 102 4.649 3.015 -6.196 1.00 0.00 C ATOM 1558 CG2 ILE A 102 6.648 4.382 -5.543 1.00 0.00 C ATOM 1559 CD1 ILE A 102 4.783 3.327 -7.670 1.00 0.00 C ATOM 0 H ILE A 102 5.405 0.564 -5.486 1.00 0.00 H new ATOM 0 HA ILE A 102 7.197 2.184 -7.027 1.00 0.00 H new ATOM 0 HB ILE A 102 5.790 2.803 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.178 2.039 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.983 3.746 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.977 5.142 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.574 4.377 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.870 4.606 -6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.798 3.308 -8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.225 4.316 -7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.423 2.582 -8.143 1.00 0.00 H new ATOM 1571 N PRO A 103 9.362 1.989 -5.739 1.00 0.00 N ATOM 1572 CA PRO A 103 10.628 1.929 -5.002 1.00 0.00 C ATOM 1573 C PRO A 103 10.739 3.033 -3.956 1.00 0.00 C ATOM 1574 O PRO A 103 9.733 3.598 -3.525 1.00 0.00 O ATOM 1575 CB PRO A 103 11.698 2.115 -6.086 1.00 0.00 C ATOM 1576 CG PRO A 103 11.008 1.824 -7.374 1.00 0.00 C ATOM 1577 CD PRO A 103 9.574 2.222 -7.177 1.00 0.00 C ATOM 0 HA PRO A 103 10.727 0.994 -4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.098 3.129 -6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.539 1.439 -5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.459 2.384 -8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.088 0.767 -7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.403 3.264 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.900 1.620 -7.787 1.00 0.00 H new ATOM 1585 N GLN A 104 11.968 3.338 -3.552 1.00 0.00 N ATOM 1586 CA GLN A 104 12.212 4.377 -2.560 1.00 0.00 C ATOM 1587 C GLN A 104 13.703 4.680 -2.446 1.00 0.00 C ATOM 1588 O GLN A 104 14.115 5.839 -2.492 1.00 0.00 O ATOM 1589 CB GLN A 104 11.660 3.951 -1.198 1.00 0.00 C ATOM 1590 CG GLN A 104 10.237 4.425 -0.942 1.00 0.00 C ATOM 1591 CD GLN A 104 9.266 3.279 -0.734 1.00 0.00 C ATOM 1592 OE1 GLN A 104 8.342 3.082 -1.524 1.00 0.00 O ATOM 1593 NE2 GLN A 104 9.471 2.517 0.333 1.00 0.00 N ATOM 0 H GLN A 104 12.811 2.879 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 104 11.699 5.282 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 104 11.690 2.864 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 104 12.310 4.340 -0.414 1.00 0.00 H new ATOM 0 HG2 GLN A 104 10.226 5.069 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 104 9.903 5.030 -1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 104 10.250 2.717 0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.850 1.731 0.525 1.00 0.00 H new ATOM 1602 N ILE A 105 14.505 3.631 -2.297 1.00 0.00 N ATOM 1603 CA ILE A 105 15.950 3.786 -2.178 1.00 0.00 C ATOM 1604 C ILE A 105 16.584 4.103 -3.533 1.00 0.00 C ATOM 1605 O ILE A 105 16.577 3.268 -4.438 1.00 0.00 O ATOM 1606 CB ILE A 105 16.606 2.513 -1.606 1.00 0.00 C ATOM 1607 CG1 ILE A 105 16.127 1.276 -2.367 1.00 0.00 C ATOM 1608 CG2 ILE A 105 16.298 2.383 -0.121 1.00 0.00 C ATOM 1609 CD1 ILE A 105 17.240 0.314 -2.721 1.00 0.00 C ATOM 0 H ILE A 105 14.179 2.665 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 105 16.123 4.617 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 105 17.686 2.592 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 105 15.385 0.753 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 105 15.628 1.594 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 105 16.767 1.480 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 105 16.687 3.253 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 105 15.219 2.323 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 105 16.826 -0.539 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 105 17.972 0.820 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 105 17.725 -0.033 -1.809 1.00 0.00 H new ATOM 1621 N PRO A 106 17.142 5.317 -3.695 1.00 0.00 N ATOM 1622 CA PRO A 106 17.778 5.729 -4.951 1.00 0.00 C ATOM 1623 C PRO A 106 18.805 4.715 -5.441 1.00 0.00 C ATOM 1624 O PRO A 106 18.903 4.443 -6.638 1.00 0.00 O ATOM 1625 CB PRO A 106 18.462 7.049 -4.588 1.00 0.00 C ATOM 1626 CG PRO A 106 17.672 7.581 -3.444 1.00 0.00 C ATOM 1627 CD PRO A 106 17.200 6.380 -2.672 1.00 0.00 C ATOM 0 HA PRO A 106 17.056 5.817 -5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.504 6.892 -4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 106 18.457 7.742 -5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 106 18.282 8.232 -2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 106 16.828 8.175 -3.795 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.888 6.125 -1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 106 16.225 6.553 -2.216 1.00 0.00 H new ATOM 1635 N HIS A 107 19.571 4.157 -4.509 1.00 0.00 N ATOM 1636 CA HIS A 107 20.592 3.171 -4.847 1.00 0.00 C ATOM 1637 C HIS A 107 20.428 1.907 -4.007 1.00 0.00 C ATOM 1638 O HIS A 107 20.079 1.974 -2.829 1.00 0.00 O ATOM 1639 CB HIS A 107 21.988 3.760 -4.635 1.00 0.00 C ATOM 1640 CG HIS A 107 23.072 2.992 -5.327 1.00 0.00 C ATOM 1641 ND1 HIS A 107 23.014 2.644 -6.661 1.00 0.00 N ATOM 1642 CD2 HIS A 107 24.248 2.505 -4.864 1.00 0.00 C ATOM 1643 CE1 HIS A 107 24.107 1.976 -6.987 1.00 0.00 C ATOM 1644 NE2 HIS A 107 24.871 1.878 -5.915 1.00 0.00 N ATOM 0 H HIS A 107 19.504 4.371 -3.514 1.00 0.00 H new ATOM 0 HA HIS A 107 20.472 2.905 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 107 21.998 4.789 -4.993 1.00 0.00 H new ATOM 0 HB3 HIS A 107 22.202 3.792 -3.567 1.00 0.00 H new ATOM 0 HD2 HIS A 107 24.625 2.593 -3.856 1.00 0.00 H new ATOM 0 HE1 HIS A 107 24.336 1.578 -7.964 1.00 0.00 H new ATOM 0 HE2 HIS A 107 25.777 1.412 -5.874 1.00 0.00 H new ATOM 1653 N SER A 108 20.684 0.758 -4.623 1.00 0.00 N ATOM 1654 CA SER A 108 20.565 -0.521 -3.933 1.00 0.00 C ATOM 1655 C SER A 108 21.828 -1.356 -4.115 1.00 0.00 C ATOM 1656 O SER A 108 22.024 -1.985 -5.154 1.00 0.00 O ATOM 1657 CB SER A 108 19.350 -1.294 -4.451 1.00 0.00 C ATOM 1658 OG SER A 108 18.876 -2.211 -3.480 1.00 0.00 O ATOM 0 H SER A 108 20.975 0.686 -5.598 1.00 0.00 H new ATOM 0 HA SER A 108 20.433 -0.321 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.556 -0.595 -4.714 1.00 0.00 H new ATOM 0 HB3 SER A 108 19.617 -1.830 -5.362 1.00 0.00 H new ATOM 0 HG SER A 108 18.099 -2.691 -3.835 1.00 0.00 H new ATOM 1664 N HIS A 109 22.682 -1.357 -3.096 1.00 0.00 N ATOM 1665 CA HIS A 109 23.926 -2.114 -3.143 1.00 0.00 C ATOM 1666 C HIS A 109 23.651 -3.615 -3.132 1.00 0.00 C ATOM 1667 O HIS A 109 23.303 -4.186 -2.099 1.00 0.00 O ATOM 1668 CB HIS A 109 24.822 -1.738 -1.959 1.00 0.00 C ATOM 1669 CG HIS A 109 26.217 -1.369 -2.358 1.00 0.00 C ATOM 1670 ND1 HIS A 109 27.271 -2.258 -2.324 1.00 0.00 N ATOM 1671 CD2 HIS A 109 26.731 -0.196 -2.802 1.00 0.00 C ATOM 1672 CE1 HIS A 109 28.371 -1.650 -2.730 1.00 0.00 C ATOM 1673 NE2 HIS A 109 28.070 -0.399 -3.026 1.00 0.00 N ATOM 0 H HIS A 109 22.534 -0.842 -2.228 1.00 0.00 H new ATOM 0 HA HIS A 109 24.439 -1.864 -4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 109 24.372 -0.901 -1.425 1.00 0.00 H new ATOM 0 HB3 HIS A 109 24.861 -2.576 -1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 109 26.189 0.726 -2.952 1.00 0.00 H new ATOM 0 HE1 HIS A 109 29.350 -2.100 -2.807 1.00 0.00 H new ATOM 0 HE2 HIS A 109 28.727 0.303 -3.366 1.00 0.00 H new ATOM 1682 N TYR A 110 23.811 -4.248 -4.290 1.00 0.00 N ATOM 1683 CA TYR A 110 23.579 -5.682 -4.416 1.00 0.00 C ATOM 1684 C TYR A 110 24.621 -6.324 -5.327 1.00 0.00 C ATOM 1685 O TYR A 110 25.065 -5.652 -6.282 1.00 0.00 O ATOM 1686 CB TYR A 110 22.175 -5.949 -4.962 1.00 0.00 C ATOM 1687 CG TYR A 110 21.633 -7.314 -4.601 1.00 0.00 C ATOM 1688 CD1 TYR A 110 21.340 -7.639 -3.283 1.00 0.00 C ATOM 1689 CD2 TYR A 110 21.415 -8.276 -5.578 1.00 0.00 C ATOM 1690 CE1 TYR A 110 20.844 -8.885 -2.948 1.00 0.00 C ATOM 1691 CE2 TYR A 110 20.919 -9.524 -5.252 1.00 0.00 C ATOM 1692 CZ TYR A 110 20.636 -9.823 -3.937 1.00 0.00 C ATOM 1693 OH TYR A 110 20.142 -11.065 -3.608 1.00 0.00 O ATOM 1694 OXT TYR A 110 24.986 -7.492 -5.077 1.00 0.00 O ATOM 0 H TYR A 110 24.100 -3.790 -5.154 1.00 0.00 H new ATOM 0 HA TYR A 110 23.665 -6.126 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 110 21.496 -5.186 -4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 110 22.192 -5.850 -6.047 1.00 0.00 H new ATOM 0 HD1 TYR A 110 21.502 -6.906 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 110 21.637 -8.045 -6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 110 20.621 -9.122 -1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 110 20.754 -10.261 -6.024 1.00 0.00 H new ATOM 0 HH TYR A 110 20.053 -11.607 -4.420 1.00 0.00 H new TER 1704 TYR A 110