USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1145 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 131 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.23) USER MOD Set 1.2: A 134 HIS : no HE2:sc= 0.0355 K(o=-1,f=-2.5) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0044 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.28 K(o=0.28,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= -0.018 (180deg=-0.166) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= -0.0115 (180deg=-0.123) USER MOD Single : A 27 GLN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -48:sc= 0.304 USER MOD Single : A 34 CYS SG : rot 20:sc= 0.694 USER MOD Single : A 37 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.077) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -61:sc= 0.909 USER MOD Single : A 68 MET CE :methyl 174:sc= 0 (180deg=-0.0329) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 150:sc= -0.101 (180deg=-0.278) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -88:sc= 0.316 USER MOD Single : A 80 GLN : amide:sc= 1.23 K(o=1.2,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 162:sc= -0.0383 (180deg=-0.358) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= -0.876 K(o=-0.88,f=-2.1) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 146:sc= 0.717 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 HIS : no HE2:sc=-0.00262 X(o=-0.0026,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 49.058 -28.828 19.616 1.00 0.00 N ATOM 2 CA PRO A 1 48.414 -27.672 18.969 1.00 0.00 C ATOM 3 C PRO A 1 48.887 -26.357 19.594 1.00 0.00 C ATOM 4 O PRO A 1 49.080 -26.293 20.807 1.00 0.00 O ATOM 5 CB PRO A 1 46.903 -27.862 19.169 1.00 0.00 C ATOM 6 CG PRO A 1 46.809 -28.678 20.465 1.00 0.00 C ATOM 7 CD PRO A 1 48.061 -29.558 20.414 1.00 0.00 C ATOM 0 H2 PRO A 1 49.824 -28.514 20.213 1.00 0.00 H new ATOM 0 H3 PRO A 1 49.462 -29.444 18.911 1.00 0.00 H new ATOM 0 HA PRO A 1 48.671 -27.618 17.911 1.00 0.00 H new ATOM 0 HB2 PRO A 1 46.387 -26.906 19.259 1.00 0.00 H new ATOM 0 HB3 PRO A 1 46.451 -28.390 18.329 1.00 0.00 H new ATOM 0 HG2 PRO A 1 46.803 -28.036 21.346 1.00 0.00 H new ATOM 0 HG3 PRO A 1 45.898 -29.275 20.500 1.00 0.00 H new ATOM 0 HD2 PRO A 1 48.437 -29.754 21.418 1.00 0.00 H new ATOM 0 HD3 PRO A 1 47.837 -30.525 19.963 1.00 0.00 H new ATOM 15 N ALA A 2 49.132 -25.337 18.765 1.00 0.00 N ATOM 16 CA ALA A 2 49.561 -24.023 19.231 1.00 0.00 C ATOM 17 C ALA A 2 48.340 -23.240 19.745 1.00 0.00 C ATOM 18 O ALA A 2 47.216 -23.744 19.724 1.00 0.00 O ATOM 19 CB ALA A 2 50.257 -23.284 18.078 1.00 0.00 C ATOM 0 H ALA A 2 49.037 -25.404 17.752 1.00 0.00 H new ATOM 0 HA ALA A 2 50.270 -24.122 20.053 1.00 0.00 H new ATOM 0 HB1 ALA A 2 50.581 -22.301 18.419 1.00 0.00 H new ATOM 0 HB2 ALA A 2 51.124 -23.857 17.749 1.00 0.00 H new ATOM 0 HB3 ALA A 2 49.561 -23.169 17.247 1.00 0.00 H new ATOM 25 N ALA A 3 48.580 -22.020 20.224 1.00 0.00 N ATOM 26 CA ALA A 3 47.590 -21.086 20.745 1.00 0.00 C ATOM 27 C ALA A 3 47.785 -19.745 20.024 1.00 0.00 C ATOM 28 O ALA A 3 48.628 -19.642 19.131 1.00 0.00 O ATOM 29 CB ALA A 3 47.744 -20.965 22.268 1.00 0.00 C ATOM 0 H ALA A 3 49.525 -21.638 20.260 1.00 0.00 H new ATOM 0 HA ALA A 3 46.574 -21.435 20.561 1.00 0.00 H new ATOM 0 HB1 ALA A 3 47.002 -20.266 22.654 1.00 0.00 H new ATOM 0 HB2 ALA A 3 47.596 -21.942 22.727 1.00 0.00 H new ATOM 0 HB3 ALA A 3 48.744 -20.601 22.505 1.00 0.00 H new ATOM 35 N SER A 4 47.002 -18.725 20.373 1.00 0.00 N ATOM 36 CA SER A 4 47.080 -17.395 19.775 1.00 0.00 C ATOM 37 C SER A 4 46.924 -16.327 20.869 1.00 0.00 C ATOM 38 O SER A 4 46.395 -16.637 21.939 1.00 0.00 O ATOM 39 CB SER A 4 46.032 -17.257 18.653 1.00 0.00 C ATOM 40 OG SER A 4 44.899 -18.090 18.830 1.00 0.00 O ATOM 0 H SER A 4 46.283 -18.802 21.092 1.00 0.00 H new ATOM 0 HA SER A 4 48.057 -17.247 19.315 1.00 0.00 H new ATOM 0 HB2 SER A 4 45.704 -16.219 18.599 1.00 0.00 H new ATOM 0 HB3 SER A 4 46.501 -17.494 17.698 1.00 0.00 H new ATOM 0 HG SER A 4 44.274 -17.954 18.088 1.00 0.00 H new ATOM 46 N PRO A 5 47.404 -15.090 20.638 1.00 0.00 N ATOM 47 CA PRO A 5 47.298 -14.006 21.607 1.00 0.00 C ATOM 48 C PRO A 5 45.870 -13.444 21.638 1.00 0.00 C ATOM 49 O PRO A 5 45.030 -13.794 20.808 1.00 0.00 O ATOM 50 CB PRO A 5 48.306 -12.957 21.123 1.00 0.00 C ATOM 51 CG PRO A 5 48.252 -13.114 19.604 1.00 0.00 C ATOM 52 CD PRO A 5 48.054 -14.619 19.421 1.00 0.00 C ATOM 0 HA PRO A 5 47.510 -14.331 22.625 1.00 0.00 H new ATOM 0 HB2 PRO A 5 48.026 -11.951 21.436 1.00 0.00 H new ATOM 0 HB3 PRO A 5 49.306 -13.146 21.514 1.00 0.00 H new ATOM 0 HG2 PRO A 5 47.432 -12.543 19.168 1.00 0.00 H new ATOM 0 HG3 PRO A 5 49.170 -12.767 19.129 1.00 0.00 H new ATOM 0 HD2 PRO A 5 47.440 -14.828 18.545 1.00 0.00 H new ATOM 0 HD3 PRO A 5 49.009 -15.122 19.269 1.00 0.00 H new ATOM 60 N SER A 6 45.605 -12.549 22.591 1.00 0.00 N ATOM 61 CA SER A 6 44.316 -11.895 22.771 1.00 0.00 C ATOM 62 C SER A 6 44.481 -10.384 22.557 1.00 0.00 C ATOM 63 O SER A 6 45.540 -9.919 22.126 1.00 0.00 O ATOM 64 CB SER A 6 43.748 -12.269 24.147 1.00 0.00 C ATOM 65 OG SER A 6 42.343 -12.105 24.167 1.00 0.00 O ATOM 0 H SER A 6 46.302 -12.254 23.275 1.00 0.00 H new ATOM 0 HA SER A 6 43.590 -12.235 22.032 1.00 0.00 H new ATOM 0 HB2 SER A 6 44.002 -13.302 24.383 1.00 0.00 H new ATOM 0 HB3 SER A 6 44.203 -11.645 24.916 1.00 0.00 H new ATOM 0 HG SER A 6 41.998 -12.349 25.051 1.00 0.00 H new ATOM 71 N ALA A 7 43.409 -9.624 22.790 1.00 0.00 N ATOM 72 CA ALA A 7 43.402 -8.178 22.630 1.00 0.00 C ATOM 73 C ALA A 7 44.375 -7.515 23.606 1.00 0.00 C ATOM 74 O ALA A 7 44.565 -7.983 24.727 1.00 0.00 O ATOM 75 CB ALA A 7 41.994 -7.636 22.866 1.00 0.00 C ATOM 0 H ALA A 7 42.514 -10.004 23.098 1.00 0.00 H new ATOM 0 HA ALA A 7 43.719 -7.947 21.613 1.00 0.00 H new ATOM 0 HB1 ALA A 7 41.996 -6.553 22.745 1.00 0.00 H new ATOM 0 HB2 ALA A 7 41.307 -8.081 22.145 1.00 0.00 H new ATOM 0 HB3 ALA A 7 41.672 -7.887 23.877 1.00 0.00 H new ATOM 81 N LEU A 8 44.967 -6.402 23.171 1.00 0.00 N ATOM 82 CA LEU A 8 45.926 -5.592 23.917 1.00 0.00 C ATOM 83 C LEU A 8 45.604 -4.119 23.645 1.00 0.00 C ATOM 84 O LEU A 8 44.759 -3.809 22.805 1.00 0.00 O ATOM 85 CB LEU A 8 47.366 -5.912 23.461 1.00 0.00 C ATOM 86 CG LEU A 8 47.805 -7.379 23.688 1.00 0.00 C ATOM 87 CD1 LEU A 8 48.282 -8.011 22.376 1.00 0.00 C ATOM 88 CD2 LEU A 8 48.924 -7.469 24.733 1.00 0.00 C ATOM 0 H LEU A 8 44.780 -6.024 22.242 1.00 0.00 H new ATOM 0 HA LEU A 8 45.855 -5.808 24.983 1.00 0.00 H new ATOM 0 HB2 LEU A 8 47.457 -5.680 22.400 1.00 0.00 H new ATOM 0 HB3 LEU A 8 48.055 -5.255 23.991 1.00 0.00 H new ATOM 0 HG LEU A 8 46.937 -7.925 24.057 1.00 0.00 H new ATOM 0 HD11 LEU A 8 48.586 -9.042 22.558 1.00 0.00 H new ATOM 0 HD12 LEU A 8 47.471 -7.995 21.648 1.00 0.00 H new ATOM 0 HD13 LEU A 8 49.129 -7.446 21.987 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.211 -8.512 24.870 1.00 0.00 H new ATOM 0 HD22 LEU A 8 49.787 -6.897 24.392 1.00 0.00 H new ATOM 0 HD23 LEU A 8 48.571 -7.062 25.680 1.00 0.00 H new ATOM 100 N LYS A 9 46.271 -3.196 24.344 1.00 0.00 N ATOM 101 CA LYS A 9 46.083 -1.753 24.181 1.00 0.00 C ATOM 102 C LYS A 9 47.413 -1.168 23.726 1.00 0.00 C ATOM 103 O LYS A 9 48.450 -1.492 24.301 1.00 0.00 O ATOM 104 CB LYS A 9 45.469 -1.125 25.449 1.00 0.00 C ATOM 105 CG LYS A 9 46.334 -1.180 26.724 1.00 0.00 C ATOM 106 CD LYS A 9 47.256 0.036 26.904 1.00 0.00 C ATOM 107 CE LYS A 9 46.486 1.262 27.417 1.00 0.00 C ATOM 108 NZ LYS A 9 47.382 2.415 27.670 1.00 0.00 N ATOM 0 H LYS A 9 46.967 -3.435 25.050 1.00 0.00 H new ATOM 0 HA LYS A 9 45.349 -1.517 23.410 1.00 0.00 H new ATOM 0 HB2 LYS A 9 45.238 -0.081 25.237 1.00 0.00 H new ATOM 0 HB3 LYS A 9 44.523 -1.625 25.655 1.00 0.00 H new ATOM 0 HG2 LYS A 9 45.680 -1.259 27.592 1.00 0.00 H new ATOM 0 HG3 LYS A 9 46.942 -2.084 26.700 1.00 0.00 H new ATOM 0 HD2 LYS A 9 48.053 -0.212 27.605 1.00 0.00 H new ATOM 0 HD3 LYS A 9 47.731 0.276 25.953 1.00 0.00 H new ATOM 0 HE2 LYS A 9 45.728 1.545 26.687 1.00 0.00 H new ATOM 0 HE3 LYS A 9 45.962 1.002 28.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 46.822 3.221 28.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 48.090 2.154 28.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 47.864 2.681 26.787 1.00 0.00 H new ATOM 122 N GLY A 10 47.387 -0.275 22.743 1.00 0.00 N ATOM 123 CA GLY A 10 48.549 0.375 22.166 1.00 0.00 C ATOM 124 C GLY A 10 48.074 1.074 20.899 1.00 0.00 C ATOM 125 O GLY A 10 46.891 1.402 20.797 1.00 0.00 O ATOM 0 H GLY A 10 46.514 0.026 22.310 1.00 0.00 H new ATOM 0 HA2 GLY A 10 48.979 1.092 22.866 1.00 0.00 H new ATOM 0 HA3 GLY A 10 49.327 -0.354 21.938 1.00 0.00 H new ATOM 129 N VAL A 11 48.980 1.347 19.966 1.00 0.00 N ATOM 130 CA VAL A 11 48.681 1.992 18.697 1.00 0.00 C ATOM 131 C VAL A 11 49.502 1.216 17.669 1.00 0.00 C ATOM 132 O VAL A 11 50.720 1.112 17.805 1.00 0.00 O ATOM 133 CB VAL A 11 48.924 3.514 18.793 1.00 0.00 C ATOM 134 CG1 VAL A 11 50.339 3.924 19.234 1.00 0.00 C ATOM 135 CG2 VAL A 11 48.564 4.212 17.474 1.00 0.00 C ATOM 0 H VAL A 11 49.968 1.119 20.077 1.00 0.00 H new ATOM 0 HA VAL A 11 47.635 1.952 18.393 1.00 0.00 H new ATOM 0 HB VAL A 11 48.260 3.846 19.591 1.00 0.00 H new ATOM 0 HG11 VAL A 11 50.408 5.011 19.270 1.00 0.00 H new ATOM 0 HG12 VAL A 11 50.545 3.514 20.223 1.00 0.00 H new ATOM 0 HG13 VAL A 11 51.068 3.538 18.522 1.00 0.00 H new ATOM 0 HG21 VAL A 11 48.744 5.283 17.568 1.00 0.00 H new ATOM 0 HG22 VAL A 11 49.180 3.810 16.670 1.00 0.00 H new ATOM 0 HG23 VAL A 11 47.512 4.040 17.246 1.00 0.00 H new ATOM 145 N SER A 12 48.830 0.664 16.660 1.00 0.00 N ATOM 146 CA SER A 12 49.442 -0.147 15.620 1.00 0.00 C ATOM 147 C SER A 12 48.950 0.291 14.252 1.00 0.00 C ATOM 148 O SER A 12 48.127 -0.390 13.661 1.00 0.00 O ATOM 149 CB SER A 12 49.127 -1.609 15.930 1.00 0.00 C ATOM 150 OG SER A 12 49.467 -1.961 17.261 1.00 0.00 O ATOM 0 H SER A 12 47.822 0.773 16.544 1.00 0.00 H new ATOM 0 HA SER A 12 50.524 -0.021 15.600 1.00 0.00 H new ATOM 0 HB2 SER A 12 48.065 -1.792 15.768 1.00 0.00 H new ATOM 0 HB3 SER A 12 49.670 -2.251 15.236 1.00 0.00 H new ATOM 0 HG SER A 12 49.248 -2.903 17.416 1.00 0.00 H new ATOM 156 N GLN A 13 49.456 1.419 13.753 1.00 0.00 N ATOM 157 CA GLN A 13 49.082 2.000 12.461 1.00 0.00 C ATOM 158 C GLN A 13 49.181 0.964 11.339 1.00 0.00 C ATOM 159 O GLN A 13 48.149 0.507 10.863 1.00 0.00 O ATOM 160 CB GLN A 13 49.880 3.292 12.208 1.00 0.00 C ATOM 161 CG GLN A 13 49.652 3.924 10.818 1.00 0.00 C ATOM 162 CD GLN A 13 50.545 3.314 9.733 1.00 0.00 C ATOM 163 OE1 GLN A 13 51.740 3.134 9.938 1.00 0.00 O ATOM 164 NE2 GLN A 13 50.005 2.932 8.592 1.00 0.00 N ATOM 0 H GLN A 13 50.157 1.970 14.249 1.00 0.00 H new ATOM 0 HA GLN A 13 48.032 2.293 12.481 1.00 0.00 H new ATOM 0 HB2 GLN A 13 49.616 4.022 12.973 1.00 0.00 H new ATOM 0 HB3 GLN A 13 50.942 3.077 12.325 1.00 0.00 H new ATOM 0 HG2 GLN A 13 48.607 3.799 10.534 1.00 0.00 H new ATOM 0 HG3 GLN A 13 49.840 4.996 10.876 1.00 0.00 H new ATOM 0 HE21 GLN A 13 49.010 3.082 8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 13 50.582 2.486 7.879 1.00 0.00 H new ATOM 173 N ALA A 14 50.391 0.500 11.009 1.00 0.00 N ATOM 174 CA ALA A 14 50.621 -0.479 9.947 1.00 0.00 C ATOM 175 C ALA A 14 49.859 -1.800 10.134 1.00 0.00 C ATOM 176 O ALA A 14 49.798 -2.605 9.207 1.00 0.00 O ATOM 177 CB ALA A 14 52.128 -0.735 9.825 1.00 0.00 C ATOM 0 H ALA A 14 51.246 0.798 11.478 1.00 0.00 H new ATOM 0 HA ALA A 14 50.226 -0.051 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 14 52.310 -1.464 9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 14 52.637 0.198 9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 14 52.509 -1.121 10.770 1.00 0.00 H new ATOM 183 N LEU A 15 49.344 -2.080 11.336 1.00 0.00 N ATOM 184 CA LEU A 15 48.587 -3.290 11.619 1.00 0.00 C ATOM 185 C LEU A 15 47.106 -2.999 11.433 1.00 0.00 C ATOM 186 O LEU A 15 46.392 -3.876 10.952 1.00 0.00 O ATOM 187 CB LEU A 15 48.913 -3.849 13.008 1.00 0.00 C ATOM 188 CG LEU A 15 50.427 -4.034 13.247 1.00 0.00 C ATOM 189 CD1 LEU A 15 50.685 -4.708 14.597 1.00 0.00 C ATOM 190 CD2 LEU A 15 51.090 -4.859 12.138 1.00 0.00 C ATOM 0 H LEU A 15 49.445 -1.464 12.142 1.00 0.00 H new ATOM 0 HA LEU A 15 48.874 -4.073 10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 15 48.511 -3.178 13.767 1.00 0.00 H new ATOM 0 HB3 LEU A 15 48.412 -4.809 13.134 1.00 0.00 H new ATOM 0 HG LEU A 15 50.868 -3.037 13.243 1.00 0.00 H new ATOM 0 HD11 LEU A 15 51.758 -4.828 14.744 1.00 0.00 H new ATOM 0 HD12 LEU A 15 50.276 -4.090 15.396 1.00 0.00 H new ATOM 0 HD13 LEU A 15 50.205 -5.686 14.613 1.00 0.00 H new ATOM 0 HD21 LEU A 15 52.154 -4.963 12.349 1.00 0.00 H new ATOM 0 HD22 LEU A 15 50.631 -5.846 12.095 1.00 0.00 H new ATOM 0 HD23 LEU A 15 50.957 -4.355 11.181 1.00 0.00 H new ATOM 202 N LEU A 16 46.640 -1.799 11.801 1.00 0.00 N ATOM 203 CA LEU A 16 45.245 -1.394 11.630 1.00 0.00 C ATOM 204 C LEU A 16 44.894 -1.480 10.143 1.00 0.00 C ATOM 205 O LEU A 16 43.782 -1.889 9.825 1.00 0.00 O ATOM 206 CB LEU A 16 44.987 0.035 12.146 1.00 0.00 C ATOM 207 CG LEU A 16 44.884 0.164 13.678 1.00 0.00 C ATOM 208 CD1 LEU A 16 44.976 1.639 14.087 1.00 0.00 C ATOM 209 CD2 LEU A 16 43.581 -0.428 14.227 1.00 0.00 C ATOM 0 H LEU A 16 47.225 -1.081 12.227 1.00 0.00 H new ATOM 0 HA LEU A 16 44.617 -2.064 12.217 1.00 0.00 H new ATOM 0 HB2 LEU A 16 45.790 0.683 11.795 1.00 0.00 H new ATOM 0 HB3 LEU A 16 44.063 0.404 11.702 1.00 0.00 H new ATOM 0 HG LEU A 16 45.714 -0.401 14.102 1.00 0.00 H new ATOM 0 HD11 LEU A 16 44.902 1.721 15.171 1.00 0.00 H new ATOM 0 HD12 LEU A 16 45.930 2.050 13.756 1.00 0.00 H new ATOM 0 HD13 LEU A 16 44.161 2.196 13.625 1.00 0.00 H new ATOM 0 HD21 LEU A 16 43.557 -0.312 15.311 1.00 0.00 H new ATOM 0 HD22 LEU A 16 42.731 0.093 13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 16 43.527 -1.487 13.974 1.00 0.00 H new ATOM 221 N GLU A 17 45.856 -1.231 9.246 1.00 0.00 N ATOM 222 CA GLU A 17 45.689 -1.285 7.793 1.00 0.00 C ATOM 223 C GLU A 17 45.045 -2.607 7.344 1.00 0.00 C ATOM 224 O GLU A 17 44.259 -2.640 6.395 1.00 0.00 O ATOM 225 CB GLU A 17 47.059 -1.153 7.096 1.00 0.00 C ATOM 226 CG GLU A 17 47.853 0.122 7.411 1.00 0.00 C ATOM 227 CD GLU A 17 47.096 1.427 7.159 1.00 0.00 C ATOM 228 OE1 GLU A 17 46.244 1.434 6.247 1.00 0.00 O ATOM 229 OE2 GLU A 17 47.413 2.406 7.876 1.00 0.00 O ATOM 0 H GLU A 17 46.804 -0.978 9.524 1.00 0.00 H new ATOM 0 HA GLU A 17 45.035 -0.459 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 17 47.669 -2.014 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 17 46.903 -1.203 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 17 48.161 0.093 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 17 48.763 0.124 6.811 1.00 0.00 H new ATOM 236 N ARG A 18 45.343 -3.733 8.015 1.00 0.00 N ATOM 237 CA ARG A 18 44.761 -5.023 7.621 1.00 0.00 C ATOM 238 C ARG A 18 43.236 -5.080 7.804 1.00 0.00 C ATOM 239 O ARG A 18 42.597 -5.978 7.256 1.00 0.00 O ATOM 240 CB ARG A 18 45.512 -6.180 8.302 1.00 0.00 C ATOM 241 CG ARG A 18 45.097 -6.462 9.757 1.00 0.00 C ATOM 242 CD ARG A 18 46.276 -6.969 10.605 1.00 0.00 C ATOM 243 NE ARG A 18 46.877 -8.211 10.077 1.00 0.00 N ATOM 244 CZ ARG A 18 46.622 -9.465 10.470 1.00 0.00 C ATOM 245 NH1 ARG A 18 45.698 -9.709 11.399 1.00 0.00 N ATOM 246 NH2 ARG A 18 47.298 -10.476 9.927 1.00 0.00 N ATOM 0 H ARG A 18 45.971 -3.775 8.817 1.00 0.00 H new ATOM 0 HA ARG A 18 44.901 -5.138 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 18 45.360 -7.086 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 18 46.580 -5.962 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 18 44.695 -5.552 10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 18 44.297 -7.202 9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 18 47.041 -6.194 10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 18 45.934 -7.143 11.625 1.00 0.00 H new ATOM 0 HE ARG A 18 47.563 -8.101 9.330 1.00 0.00 H new ATOM 0 HH11 ARG A 18 45.178 -8.937 11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 18 45.510 -10.668 11.692 1.00 0.00 H new ATOM 0 HH21 ARG A 18 48.006 -10.293 9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 18 47.108 -11.434 10.222 1.00 0.00 H new ATOM 260 N ILE A 19 42.644 -4.174 8.584 1.00 0.00 N ATOM 261 CA ILE A 19 41.213 -4.097 8.837 1.00 0.00 C ATOM 262 C ILE A 19 40.511 -3.538 7.598 1.00 0.00 C ATOM 263 O ILE A 19 39.341 -3.871 7.422 1.00 0.00 O ATOM 264 CB ILE A 19 40.925 -3.282 10.128 1.00 0.00 C ATOM 265 CG1 ILE A 19 41.672 -3.911 11.335 1.00 0.00 C ATOM 266 CG2 ILE A 19 39.415 -3.215 10.436 1.00 0.00 C ATOM 267 CD1 ILE A 19 41.565 -3.104 12.632 1.00 0.00 C ATOM 0 H ILE A 19 43.171 -3.450 9.072 1.00 0.00 H new ATOM 0 HA ILE A 19 40.809 -5.093 9.019 1.00 0.00 H new ATOM 0 HB ILE A 19 41.283 -2.266 9.960 1.00 0.00 H new ATOM 0 HG12 ILE A 19 41.277 -4.912 11.510 1.00 0.00 H new ATOM 0 HG13 ILE A 19 42.725 -4.024 11.077 1.00 0.00 H new ATOM 0 HG21 ILE A 19 39.255 -2.637 11.346 1.00 0.00 H new ATOM 0 HG22 ILE A 19 38.895 -2.737 9.606 1.00 0.00 H new ATOM 0 HG23 ILE A 19 39.027 -4.224 10.574 1.00 0.00 H new ATOM 0 HD11 ILE A 19 42.114 -3.613 13.424 1.00 0.00 H new ATOM 0 HD12 ILE A 19 41.987 -2.111 12.478 1.00 0.00 H new ATOM 0 HD13 ILE A 19 40.517 -3.013 12.918 1.00 0.00 H new ATOM 279 N ARG A 20 41.183 -2.830 6.670 1.00 0.00 N ATOM 280 CA ARG A 20 40.516 -2.282 5.478 1.00 0.00 C ATOM 281 C ARG A 20 39.770 -3.330 4.660 1.00 0.00 C ATOM 282 O ARG A 20 38.883 -2.992 3.883 1.00 0.00 O ATOM 283 CB ARG A 20 41.478 -1.461 4.608 1.00 0.00 C ATOM 284 CG ARG A 20 42.544 -2.249 3.826 1.00 0.00 C ATOM 285 CD ARG A 20 42.100 -2.518 2.381 1.00 0.00 C ATOM 286 NE ARG A 20 43.148 -3.210 1.612 1.00 0.00 N ATOM 287 CZ ARG A 20 43.023 -3.665 0.359 1.00 0.00 C ATOM 288 NH1 ARG A 20 41.869 -3.529 -0.296 1.00 0.00 N ATOM 289 NH2 ARG A 20 44.055 -4.264 -0.234 1.00 0.00 N ATOM 0 H ARG A 20 42.181 -2.626 6.724 1.00 0.00 H new ATOM 0 HA ARG A 20 39.752 -1.603 5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 20 40.887 -0.888 3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 20 41.988 -0.742 5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 20 43.480 -1.691 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 20 42.740 -3.196 4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 20 41.192 -3.122 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 20 41.853 -1.575 1.894 1.00 0.00 H new ATOM 0 HE ARG A 20 44.046 -3.355 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 20 41.075 -3.076 0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 20 41.780 -3.878 -1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 20 44.937 -4.375 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 20 43.963 -4.612 -1.188 1.00 0.00 H new ATOM 303 N ALA A 21 40.114 -4.616 4.785 1.00 0.00 N ATOM 304 CA ALA A 21 39.422 -5.667 4.063 1.00 0.00 C ATOM 305 C ALA A 21 37.950 -5.735 4.510 1.00 0.00 C ATOM 306 O ALA A 21 37.108 -6.242 3.779 1.00 0.00 O ATOM 307 CB ALA A 21 40.126 -7.004 4.297 1.00 0.00 C ATOM 0 H ALA A 21 40.871 -4.946 5.384 1.00 0.00 H new ATOM 0 HA ALA A 21 39.443 -5.447 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 21 39.603 -7.791 3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 21 41.155 -6.940 3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 21 40.123 -7.236 5.362 1.00 0.00 H new ATOM 313 N LYS A 22 37.632 -5.301 5.736 1.00 0.00 N ATOM 314 CA LYS A 22 36.266 -5.270 6.250 1.00 0.00 C ATOM 315 C LYS A 22 35.549 -4.129 5.537 1.00 0.00 C ATOM 316 O LYS A 22 34.390 -4.269 5.167 1.00 0.00 O ATOM 317 CB LYS A 22 36.239 -5.006 7.770 1.00 0.00 C ATOM 318 CG LYS A 22 36.264 -6.270 8.631 1.00 0.00 C ATOM 319 CD LYS A 22 37.567 -7.080 8.533 1.00 0.00 C ATOM 320 CE LYS A 22 37.538 -8.263 9.515 1.00 0.00 C ATOM 321 NZ LYS A 22 36.374 -9.163 9.307 1.00 0.00 N ATOM 0 H LYS A 22 38.325 -4.959 6.402 1.00 0.00 H new ATOM 0 HA LYS A 22 35.786 -6.232 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 22 37.095 -4.384 8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 22 35.343 -4.434 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 22 36.103 -5.989 9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.430 -6.909 8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 22 37.699 -7.447 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 22 38.420 -6.437 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 22 38.458 -8.838 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 22 37.516 -7.880 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 36.487 -10.017 9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 35.500 -8.670 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 36.319 -9.433 8.304 1.00 0.00 H new ATOM 335 N GLU A 23 36.240 -3.011 5.324 1.00 0.00 N ATOM 336 CA GLU A 23 35.681 -1.839 4.664 1.00 0.00 C ATOM 337 C GLU A 23 35.335 -2.134 3.208 1.00 0.00 C ATOM 338 O GLU A 23 34.415 -1.522 2.669 1.00 0.00 O ATOM 339 CB GLU A 23 36.597 -0.631 4.838 1.00 0.00 C ATOM 340 CG GLU A 23 36.690 -0.297 6.332 1.00 0.00 C ATOM 341 CD GLU A 23 37.560 0.929 6.539 1.00 0.00 C ATOM 342 OE1 GLU A 23 38.790 0.717 6.614 1.00 0.00 O ATOM 343 OE2 GLU A 23 36.967 2.028 6.595 1.00 0.00 O ATOM 0 H GLU A 23 37.213 -2.895 5.608 1.00 0.00 H new ATOM 0 HA GLU A 23 34.738 -1.582 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 23 37.587 -0.846 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 23 36.207 0.222 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 23 35.693 -0.118 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 23 37.106 -1.144 6.877 1.00 0.00 H new ATOM 350 N VAL A 24 35.991 -3.116 2.584 1.00 0.00 N ATOM 351 CA VAL A 24 35.691 -3.507 1.208 1.00 0.00 C ATOM 352 C VAL A 24 34.231 -4.008 1.149 1.00 0.00 C ATOM 353 O VAL A 24 33.557 -3.838 0.137 1.00 0.00 O ATOM 354 CB VAL A 24 36.762 -4.511 0.719 1.00 0.00 C ATOM 355 CG1 VAL A 24 36.390 -5.218 -0.592 1.00 0.00 C ATOM 356 CG2 VAL A 24 38.104 -3.790 0.495 1.00 0.00 C ATOM 0 H VAL A 24 36.739 -3.658 3.016 1.00 0.00 H new ATOM 0 HA VAL A 24 35.748 -2.670 0.512 1.00 0.00 H new ATOM 0 HB VAL A 24 36.834 -5.265 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 24 37.187 -5.906 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 24 35.462 -5.774 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 24 36.256 -4.477 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 24 38.849 -4.507 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 24 37.977 -3.010 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 24 38.437 -3.342 1.431 1.00 0.00 H new ATOM 366 N GLN A 25 33.717 -4.537 2.262 1.00 0.00 N ATOM 367 CA GLN A 25 32.368 -5.057 2.434 1.00 0.00 C ATOM 368 C GLN A 25 31.420 -3.949 2.935 1.00 0.00 C ATOM 369 O GLN A 25 30.213 -4.160 3.081 1.00 0.00 O ATOM 370 CB GLN A 25 32.415 -6.263 3.393 1.00 0.00 C ATOM 371 CG GLN A 25 33.536 -7.273 3.058 1.00 0.00 C ATOM 372 CD GLN A 25 33.294 -7.976 1.725 1.00 0.00 C ATOM 373 OE1 GLN A 25 33.710 -7.499 0.676 1.00 0.00 O ATOM 374 NE2 GLN A 25 32.623 -9.115 1.730 1.00 0.00 N ATOM 0 H GLN A 25 34.269 -4.616 3.116 1.00 0.00 H new ATOM 0 HA GLN A 25 31.973 -5.396 1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.555 -5.902 4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 25 31.454 -6.777 3.366 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.494 -6.754 3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 25 33.604 -8.016 3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 25 32.282 -9.502 2.610 1.00 0.00 H new ATOM 0 HE22 GLN A 25 32.447 -9.607 0.854 1.00 0.00 H new ATOM 383 N LYS A 26 31.948 -2.771 3.298 1.00 0.00 N ATOM 384 CA LYS A 26 31.153 -1.639 3.770 1.00 0.00 C ATOM 385 C LYS A 26 30.483 -0.938 2.591 1.00 0.00 C ATOM 386 O LYS A 26 29.409 -0.381 2.804 1.00 0.00 O ATOM 387 CB LYS A 26 32.021 -0.647 4.563 1.00 0.00 C ATOM 388 CG LYS A 26 31.173 0.342 5.378 1.00 0.00 C ATOM 389 CD LYS A 26 32.038 1.313 6.196 1.00 0.00 C ATOM 390 CE LYS A 26 32.644 2.487 5.410 1.00 0.00 C ATOM 391 NZ LYS A 26 31.625 3.361 4.785 1.00 0.00 N ATOM 0 H LYS A 26 32.950 -2.580 3.270 1.00 0.00 H new ATOM 0 HA LYS A 26 30.381 -2.019 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 26 32.679 -1.199 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 26 32.660 -0.094 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 26 30.532 0.910 4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 26 30.518 -0.212 6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 26 31.432 1.717 7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 26 32.850 0.749 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 26 33.262 3.084 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 26 33.302 2.095 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 32.082 4.219 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 31.164 2.853 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 30.912 3.626 5.495 1.00 0.00 H new ATOM 405 N GLN A 27 31.060 -1.043 1.388 1.00 0.00 N ATOM 406 CA GLN A 27 30.620 -0.452 0.117 1.00 0.00 C ATOM 407 C GLN A 27 29.105 -0.479 -0.124 1.00 0.00 C ATOM 408 O GLN A 27 28.576 0.455 -0.720 1.00 0.00 O ATOM 409 CB GLN A 27 31.348 -1.113 -1.064 1.00 0.00 C ATOM 410 CG GLN A 27 32.853 -0.809 -1.122 1.00 0.00 C ATOM 411 CD GLN A 27 33.480 -1.399 -2.387 1.00 0.00 C ATOM 412 OE1 GLN A 27 33.898 -0.686 -3.290 1.00 0.00 O ATOM 413 NE2 GLN A 27 33.529 -2.716 -2.511 1.00 0.00 N ATOM 0 H GLN A 27 31.915 -1.587 1.268 1.00 0.00 H new ATOM 0 HA GLN A 27 30.886 0.602 0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 27 31.208 -2.192 -1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 27 30.885 -0.782 -1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 27 33.011 0.269 -1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 27 33.346 -1.220 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 27 33.181 -3.312 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 27 33.914 -3.135 -3.358 1.00 0.00 H new ATOM 422 N LEU A 28 28.387 -1.521 0.315 1.00 0.00 N ATOM 423 CA LEU A 28 26.923 -1.620 0.158 1.00 0.00 C ATOM 424 C LEU A 28 26.193 -0.409 0.756 1.00 0.00 C ATOM 425 O LEU A 28 25.138 0.025 0.296 1.00 0.00 O ATOM 426 CB LEU A 28 26.444 -2.963 0.680 1.00 0.00 C ATOM 427 CG LEU A 28 26.453 -3.109 2.196 1.00 0.00 C ATOM 428 CD1 LEU A 28 25.117 -2.673 2.794 1.00 0.00 C ATOM 429 CD2 LEU A 28 26.734 -4.564 2.579 1.00 0.00 C ATOM 0 H LEU A 28 28.802 -2.322 0.790 1.00 0.00 H new ATOM 0 HA LEU A 28 26.669 -1.584 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 28 25.429 -3.134 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 28 27.070 -3.746 0.252 1.00 0.00 H new ATOM 0 HG LEU A 28 27.239 -2.467 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 28 25.149 -2.787 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 28 24.930 -1.629 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 28 24.317 -3.292 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 28 26.739 -4.660 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 28 25.959 -5.206 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 28 27.705 -4.863 2.184 1.00 0.00 H new ATOM 441 N ALA A 29 26.835 0.116 1.788 1.00 0.00 N ATOM 442 CA ALA A 29 26.543 1.263 2.631 1.00 0.00 C ATOM 443 C ALA A 29 25.046 1.476 2.847 1.00 0.00 C ATOM 444 O ALA A 29 24.448 2.404 2.307 1.00 0.00 O ATOM 445 CB ALA A 29 27.248 2.501 2.058 1.00 0.00 C ATOM 0 H ALA A 29 27.703 -0.321 2.097 1.00 0.00 H new ATOM 0 HA ALA A 29 26.936 1.071 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 29 27.033 3.365 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 29 28.324 2.329 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 29 26.888 2.689 1.046 1.00 0.00 H new ATOM 451 N ARG A 30 24.439 0.626 3.679 1.00 0.00 N ATOM 452 CA ARG A 30 23.011 0.692 4.003 1.00 0.00 C ATOM 453 C ARG A 30 22.602 1.950 4.766 1.00 0.00 C ATOM 454 O ARG A 30 21.420 2.266 4.922 1.00 0.00 O ATOM 455 CB ARG A 30 22.586 -0.648 4.645 1.00 0.00 C ATOM 456 CG ARG A 30 21.356 -0.568 5.555 1.00 0.00 C ATOM 457 CD ARG A 30 20.890 -1.924 6.082 1.00 0.00 C ATOM 458 NE ARG A 30 21.876 -2.595 6.940 1.00 0.00 N ATOM 459 CZ ARG A 30 21.627 -3.621 7.758 1.00 0.00 C ATOM 460 NH1 ARG A 30 20.397 -4.119 7.893 1.00 0.00 N ATOM 461 NH2 ARG A 30 22.626 -4.147 8.446 1.00 0.00 N ATOM 0 H ARG A 30 24.929 -0.134 4.151 1.00 0.00 H new ATOM 0 HA ARG A 30 22.439 0.809 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 30 22.386 -1.367 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 30 23.423 -1.038 5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.583 0.082 6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.538 -0.102 5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.966 -1.787 6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.657 -2.572 5.237 1.00 0.00 H new ATOM 0 HE ARG A 30 22.834 -2.247 6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.623 -3.716 7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.231 -4.903 8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.568 -3.769 8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.455 -4.931 9.076 1.00 0.00 H new ATOM 475 N MET A 31 23.586 2.632 5.311 1.00 0.00 N ATOM 476 CA MET A 31 23.403 3.858 6.050 1.00 0.00 C ATOM 477 C MET A 31 22.920 4.923 5.083 1.00 0.00 C ATOM 478 O MET A 31 23.111 4.839 3.872 1.00 0.00 O ATOM 479 CB MET A 31 24.718 4.315 6.700 1.00 0.00 C ATOM 480 CG MET A 31 24.944 3.631 8.045 1.00 0.00 C ATOM 481 SD MET A 31 26.505 4.084 8.842 1.00 0.00 S ATOM 482 CE MET A 31 26.141 3.476 10.505 1.00 0.00 C ATOM 0 H MET A 31 24.561 2.339 5.249 1.00 0.00 H new ATOM 0 HA MET A 31 22.676 3.694 6.845 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.551 4.093 6.033 1.00 0.00 H new ATOM 0 HB3 MET A 31 24.700 5.396 6.839 1.00 0.00 H new ATOM 0 HG2 MET A 31 24.120 3.882 8.713 1.00 0.00 H new ATOM 0 HG3 MET A 31 24.920 2.551 7.901 1.00 0.00 H new ATOM 0 HE1 MET A 31 26.994 3.665 11.156 1.00 0.00 H new ATOM 0 HE2 MET A 31 25.264 3.991 10.897 1.00 0.00 H new ATOM 0 HE3 MET A 31 25.945 2.405 10.466 1.00 0.00 H new ATOM 492 N THR A 32 22.349 5.960 5.681 1.00 0.00 N ATOM 493 CA THR A 32 21.810 7.157 5.046 1.00 0.00 C ATOM 494 C THR A 32 21.038 6.822 3.767 1.00 0.00 C ATOM 495 O THR A 32 21.231 7.439 2.711 1.00 0.00 O ATOM 496 CB THR A 32 22.955 8.168 4.878 1.00 0.00 C ATOM 497 OG1 THR A 32 22.481 9.384 4.348 1.00 0.00 O ATOM 498 CG2 THR A 32 24.088 7.679 3.975 1.00 0.00 C ATOM 0 H THR A 32 22.242 5.990 6.695 1.00 0.00 H new ATOM 0 HA THR A 32 21.055 7.629 5.675 1.00 0.00 H new ATOM 0 HB THR A 32 23.354 8.302 5.883 1.00 0.00 H new ATOM 0 HG1 THR A 32 21.907 9.202 3.575 1.00 0.00 H new ATOM 0 HG21 THR A 32 24.857 8.449 3.907 1.00 0.00 H new ATOM 0 HG22 THR A 32 24.520 6.770 4.393 1.00 0.00 H new ATOM 0 HG23 THR A 32 23.696 7.469 2.980 1.00 0.00 H new ATOM 506 N ARG A 33 20.148 5.841 3.898 1.00 0.00 N ATOM 507 CA ARG A 33 19.302 5.339 2.831 1.00 0.00 C ATOM 508 C ARG A 33 18.614 6.456 2.068 1.00 0.00 C ATOM 509 O ARG A 33 18.326 7.519 2.611 1.00 0.00 O ATOM 510 CB ARG A 33 18.293 4.326 3.364 1.00 0.00 C ATOM 511 CG ARG A 33 17.389 4.818 4.500 1.00 0.00 C ATOM 512 CD ARG A 33 16.279 5.814 4.142 1.00 0.00 C ATOM 513 NE ARG A 33 15.173 5.709 5.101 1.00 0.00 N ATOM 514 CZ ARG A 33 13.950 6.223 4.945 1.00 0.00 C ATOM 515 NH1 ARG A 33 13.697 7.116 3.993 1.00 0.00 N ATOM 516 NH2 ARG A 33 12.974 5.808 5.742 1.00 0.00 N ATOM 0 H ARG A 33 19.995 5.360 4.784 1.00 0.00 H new ATOM 0 HA ARG A 33 19.952 4.828 2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.661 4.002 2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.837 3.448 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.923 3.947 4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.022 5.279 5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.677 6.829 4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.915 5.617 3.134 1.00 0.00 H new ATOM 0 HE ARG A 33 15.355 5.197 5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.443 7.419 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.757 7.498 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.164 5.108 6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.034 6.189 5.638 1.00 0.00 H new ATOM 530 N CYS A 34 18.343 6.149 0.812 1.00 0.00 N ATOM 531 CA CYS A 34 17.700 6.976 -0.195 1.00 0.00 C ATOM 532 C CYS A 34 17.101 6.044 -1.254 1.00 0.00 C ATOM 533 O CYS A 34 15.887 6.079 -1.433 1.00 0.00 O ATOM 534 CB CYS A 34 18.645 8.012 -0.829 1.00 0.00 C ATOM 535 SG CYS A 34 19.099 9.367 0.291 1.00 0.00 S ATOM 0 H CYS A 34 18.589 5.233 0.437 1.00 0.00 H new ATOM 0 HA CYS A 34 16.920 7.567 0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 34 19.552 7.508 -1.161 1.00 0.00 H new ATOM 0 HB3 CYS A 34 18.169 8.430 -1.716 1.00 0.00 H new ATOM 0 HG CYS A 34 18.890 9.002 1.521 1.00 0.00 H new ATOM 541 N PRO A 35 17.867 5.160 -1.932 1.00 0.00 N ATOM 542 CA PRO A 35 17.306 4.254 -2.936 1.00 0.00 C ATOM 543 C PRO A 35 16.312 3.255 -2.322 1.00 0.00 C ATOM 544 O PRO A 35 15.525 2.639 -3.040 1.00 0.00 O ATOM 545 CB PRO A 35 18.498 3.574 -3.605 1.00 0.00 C ATOM 546 CG PRO A 35 19.604 3.654 -2.556 1.00 0.00 C ATOM 547 CD PRO A 35 19.309 4.979 -1.862 1.00 0.00 C ATOM 0 HA PRO A 35 16.716 4.797 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.272 2.541 -3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.783 4.083 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.565 2.815 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.595 3.646 -3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.649 4.961 -0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 35 19.829 5.801 -2.354 1.00 0.00 H new ATOM 555 N GLU A 36 16.291 3.104 -0.990 1.00 0.00 N ATOM 556 CA GLU A 36 15.349 2.209 -0.326 1.00 0.00 C ATOM 557 C GLU A 36 13.905 2.726 -0.503 1.00 0.00 C ATOM 558 O GLU A 36 12.938 2.015 -0.206 1.00 0.00 O ATOM 559 CB GLU A 36 15.657 2.085 1.168 1.00 0.00 C ATOM 560 CG GLU A 36 16.972 1.360 1.490 1.00 0.00 C ATOM 561 CD GLU A 36 16.942 0.882 2.945 1.00 0.00 C ATOM 562 OE1 GLU A 36 16.729 1.719 3.853 1.00 0.00 O ATOM 563 OE2 GLU A 36 16.926 -0.341 3.190 1.00 0.00 O ATOM 0 H GLU A 36 16.920 3.595 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 36 15.449 1.226 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.692 3.084 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.837 1.555 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.107 0.512 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.818 2.029 1.332 1.00 0.00 H new ATOM 570 N GLN A 37 13.747 3.989 -0.926 1.00 0.00 N ATOM 571 CA GLN A 37 12.453 4.617 -1.158 1.00 0.00 C ATOM 572 C GLN A 37 11.780 4.116 -2.441 1.00 0.00 C ATOM 573 O GLN A 37 10.571 4.303 -2.558 1.00 0.00 O ATOM 574 CB GLN A 37 12.589 6.145 -1.173 1.00 0.00 C ATOM 575 CG GLN A 37 12.972 6.674 0.219 1.00 0.00 C ATOM 576 CD GLN A 37 12.766 8.176 0.388 1.00 0.00 C ATOM 577 OE1 GLN A 37 12.309 8.615 1.441 1.00 0.00 O ATOM 578 NE2 GLN A 37 13.106 8.987 -0.599 1.00 0.00 N ATOM 0 H GLN A 37 14.535 4.608 -1.118 1.00 0.00 H new ATOM 0 HA GLN A 37 11.805 4.330 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 37 13.346 6.440 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.649 6.595 -1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.382 6.150 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 37 14.018 6.437 0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.484 8.605 -1.466 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.991 9.995 -0.494 1.00 0.00 H new ATOM 587 N GLU A 38 12.495 3.447 -3.359 1.00 0.00 N ATOM 588 CA GLU A 38 11.891 2.929 -4.593 1.00 0.00 C ATOM 589 C GLU A 38 10.753 1.981 -4.194 1.00 0.00 C ATOM 590 O GLU A 38 9.631 2.086 -4.685 1.00 0.00 O ATOM 591 CB GLU A 38 12.954 2.240 -5.467 1.00 0.00 C ATOM 592 CG GLU A 38 12.398 1.843 -6.847 1.00 0.00 C ATOM 593 CD GLU A 38 13.433 1.159 -7.748 1.00 0.00 C ATOM 594 OE1 GLU A 38 14.552 1.698 -7.910 1.00 0.00 O ATOM 595 OE2 GLU A 38 13.103 0.131 -8.390 1.00 0.00 O ATOM 0 H GLU A 38 13.492 3.253 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 38 11.482 3.738 -5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.805 2.909 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.323 1.351 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.549 1.174 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.023 2.735 -7.349 1.00 0.00 H new ATOM 602 N LEU A 39 11.013 1.100 -3.222 1.00 0.00 N ATOM 603 CA LEU A 39 10.025 0.150 -2.720 1.00 0.00 C ATOM 604 C LEU A 39 8.840 0.872 -2.096 1.00 0.00 C ATOM 605 O LEU A 39 7.727 0.360 -2.136 1.00 0.00 O ATOM 606 CB LEU A 39 10.634 -0.736 -1.619 1.00 0.00 C ATOM 607 CG LEU A 39 11.657 -1.747 -2.145 1.00 0.00 C ATOM 608 CD1 LEU A 39 12.499 -2.280 -0.988 1.00 0.00 C ATOM 609 CD2 LEU A 39 10.981 -2.922 -2.863 1.00 0.00 C ATOM 0 H LEU A 39 11.920 1.029 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 39 9.705 -0.449 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.113 -0.100 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.833 -1.273 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 39 12.291 -1.230 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.225 -2.999 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 39 13.023 -1.453 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.850 -2.769 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.742 -3.616 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.316 -3.438 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.404 -2.548 -3.709 1.00 0.00 H new ATOM 621 N ARG A 40 9.069 2.014 -1.438 1.00 0.00 N ATOM 622 CA ARG A 40 7.996 2.757 -0.788 1.00 0.00 C ATOM 623 C ARG A 40 7.038 3.254 -1.847 1.00 0.00 C ATOM 624 O ARG A 40 5.845 2.971 -1.747 1.00 0.00 O ATOM 625 CB ARG A 40 8.528 3.877 0.123 1.00 0.00 C ATOM 626 CG ARG A 40 8.910 3.358 1.518 1.00 0.00 C ATOM 627 CD ARG A 40 9.961 2.244 1.499 1.00 0.00 C ATOM 628 NE ARG A 40 10.359 1.853 2.856 1.00 0.00 N ATOM 629 CZ ARG A 40 11.336 0.991 3.154 1.00 0.00 C ATOM 630 NH1 ARG A 40 12.155 0.537 2.206 1.00 0.00 N ATOM 631 NH2 ARG A 40 11.490 0.592 4.413 1.00 0.00 N ATOM 0 H ARG A 40 9.991 2.440 -1.344 1.00 0.00 H new ATOM 0 HA ARG A 40 7.452 2.093 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.399 4.338 -0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.770 4.654 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.287 4.189 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.013 2.990 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.563 1.377 0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.838 2.579 0.945 1.00 0.00 H new ATOM 0 HE ARG A 40 9.850 2.272 3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.040 0.847 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.897 -0.121 2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.866 0.943 5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.232 -0.066 4.652 1.00 0.00 H new ATOM 645 N LEU A 41 7.561 3.949 -2.853 1.00 0.00 N ATOM 646 CA LEU A 41 6.775 4.485 -3.955 1.00 0.00 C ATOM 647 C LEU A 41 6.020 3.336 -4.625 1.00 0.00 C ATOM 648 O LEU A 41 4.810 3.421 -4.807 1.00 0.00 O ATOM 649 CB LEU A 41 7.705 5.205 -4.940 1.00 0.00 C ATOM 650 CG LEU A 41 8.422 6.425 -4.335 1.00 0.00 C ATOM 651 CD1 LEU A 41 9.692 6.733 -5.126 1.00 0.00 C ATOM 652 CD2 LEU A 41 7.504 7.649 -4.284 1.00 0.00 C ATOM 0 H LEU A 41 8.557 4.157 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 41 6.046 5.211 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.452 4.499 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.125 5.528 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 41 8.696 6.181 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.192 7.598 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.360 5.872 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.432 6.949 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.044 8.491 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.182 7.905 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.631 7.424 -3.671 1.00 0.00 H new ATOM 664 N GLN A 42 6.702 2.218 -4.884 1.00 0.00 N ATOM 665 CA GLN A 42 6.131 1.030 -5.508 1.00 0.00 C ATOM 666 C GLN A 42 4.957 0.470 -4.686 1.00 0.00 C ATOM 667 O GLN A 42 4.021 -0.104 -5.245 1.00 0.00 O ATOM 668 CB GLN A 42 7.266 0.014 -5.687 1.00 0.00 C ATOM 669 CG GLN A 42 6.925 -1.129 -6.643 1.00 0.00 C ATOM 670 CD GLN A 42 8.124 -2.059 -6.794 1.00 0.00 C ATOM 671 OE1 GLN A 42 8.147 -3.147 -6.218 1.00 0.00 O ATOM 672 NE2 GLN A 42 9.132 -1.648 -7.544 1.00 0.00 N ATOM 0 H GLN A 42 7.691 2.115 -4.659 1.00 0.00 H new ATOM 0 HA GLN A 42 5.706 1.274 -6.482 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.151 0.533 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.524 -0.403 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.068 -1.686 -6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.641 -0.728 -7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.085 -0.742 -8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.957 -2.237 -7.657 1.00 0.00 H new ATOM 681 N ARG A 43 4.978 0.592 -3.351 1.00 0.00 N ATOM 682 CA ARG A 43 3.875 0.110 -2.514 1.00 0.00 C ATOM 683 C ARG A 43 2.706 1.089 -2.613 1.00 0.00 C ATOM 684 O ARG A 43 1.564 0.652 -2.496 1.00 0.00 O ATOM 685 CB ARG A 43 4.293 -0.042 -1.045 1.00 0.00 C ATOM 686 CG ARG A 43 5.340 -1.142 -0.810 1.00 0.00 C ATOM 687 CD ARG A 43 6.360 -0.758 0.273 1.00 0.00 C ATOM 688 NE ARG A 43 6.115 -1.402 1.570 1.00 0.00 N ATOM 689 CZ ARG A 43 5.486 -0.868 2.623 1.00 0.00 C ATOM 690 NH1 ARG A 43 4.902 0.324 2.543 1.00 0.00 N ATOM 691 NH2 ARG A 43 5.486 -1.502 3.788 1.00 0.00 N ATOM 0 H ARG A 43 5.745 1.019 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 43 3.581 -0.875 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.692 0.908 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.409 -0.260 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.836 -2.064 -0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.865 -1.346 -1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.360 -1.023 -0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.346 0.324 0.406 1.00 0.00 H new ATOM 0 HE ARG A 43 6.460 -2.356 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.929 0.847 1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.427 0.715 3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.966 -2.397 3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.006 -1.094 4.590 1.00 0.00 H new ATOM 705 N LEU A 44 2.962 2.390 -2.808 1.00 0.00 N ATOM 706 CA LEU A 44 1.894 3.384 -2.927 1.00 0.00 C ATOM 707 C LEU A 44 1.057 3.079 -4.169 1.00 0.00 C ATOM 708 O LEU A 44 -0.171 3.082 -4.104 1.00 0.00 O ATOM 709 CB LEU A 44 2.416 4.833 -3.004 1.00 0.00 C ATOM 710 CG LEU A 44 3.307 5.279 -1.834 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.769 6.724 -2.011 1.00 0.00 C ATOM 712 CD2 LEU A 44 2.623 5.116 -0.476 1.00 0.00 C ATOM 0 H LEU A 44 3.903 2.776 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 44 1.291 3.313 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.978 4.949 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.561 5.506 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 44 4.176 4.621 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.397 7.011 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.339 6.813 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.900 7.381 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.298 5.446 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.714 5.718 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.368 4.068 -0.320 1.00 0.00 H new ATOM 724 N GLU A 45 1.724 2.742 -5.275 1.00 0.00 N ATOM 725 CA GLU A 45 1.186 2.401 -6.580 1.00 0.00 C ATOM 726 C GLU A 45 0.317 1.142 -6.524 1.00 0.00 C ATOM 727 O GLU A 45 -0.217 0.725 -7.551 1.00 0.00 O ATOM 728 CB GLU A 45 2.345 2.214 -7.582 1.00 0.00 C ATOM 729 CG GLU A 45 3.220 3.460 -7.812 1.00 0.00 C ATOM 730 CD GLU A 45 2.588 4.495 -8.741 1.00 0.00 C ATOM 731 OE1 GLU A 45 1.448 4.945 -8.487 1.00 0.00 O ATOM 732 OE2 GLU A 45 3.268 4.911 -9.715 1.00 0.00 O ATOM 0 H GLU A 45 2.743 2.699 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 45 0.547 3.220 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.982 1.403 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.929 1.900 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.429 3.928 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.178 3.148 -8.229 1.00 0.00 H new ATOM 739 N ARG A 46 0.176 0.482 -5.365 1.00 0.00 N ATOM 740 CA ARG A 46 -0.663 -0.704 -5.239 1.00 0.00 C ATOM 741 C ARG A 46 -2.134 -0.316 -5.036 1.00 0.00 C ATOM 742 O ARG A 46 -2.961 -1.181 -4.776 1.00 0.00 O ATOM 743 CB ARG A 46 -0.059 -1.718 -4.263 1.00 0.00 C ATOM 744 CG ARG A 46 -0.544 -1.697 -2.815 1.00 0.00 C ATOM 745 CD ARG A 46 0.390 -2.520 -1.907 1.00 0.00 C ATOM 746 NE ARG A 46 0.067 -3.959 -1.912 1.00 0.00 N ATOM 747 CZ ARG A 46 0.369 -4.884 -2.836 1.00 0.00 C ATOM 748 NH1 ARG A 46 1.218 -4.629 -3.837 1.00 0.00 N ATOM 749 NH2 ARG A 46 -0.175 -6.091 -2.753 1.00 0.00 N ATOM 0 H ARG A 46 0.639 0.758 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.679 -1.259 -6.177 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.243 -2.716 -4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.021 -1.571 -4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.590 -0.668 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.556 -2.099 -2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.421 -2.382 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.325 -2.141 -0.887 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.456 -4.297 -1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.656 -3.711 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.428 -5.353 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.817 -6.310 -1.991 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.049 -6.800 -3.451 1.00 0.00 H new ATOM 763 N LEU A 47 -2.467 0.972 -5.150 1.00 0.00 N ATOM 764 CA LEU A 47 -3.815 1.527 -5.054 1.00 0.00 C ATOM 765 C LEU A 47 -4.741 0.701 -5.975 1.00 0.00 C ATOM 766 O LEU A 47 -5.678 0.060 -5.487 1.00 0.00 O ATOM 767 CB LEU A 47 -3.763 3.020 -5.436 1.00 0.00 C ATOM 768 CG LEU A 47 -3.403 3.968 -4.285 1.00 0.00 C ATOM 769 CD1 LEU A 47 -2.596 5.163 -4.798 1.00 0.00 C ATOM 770 CD2 LEU A 47 -4.672 4.497 -3.620 1.00 0.00 C ATOM 0 H LEU A 47 -1.765 1.692 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.213 1.467 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.035 3.150 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.733 3.311 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.808 3.405 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.352 5.822 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.676 4.808 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.185 5.711 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.403 5.169 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.269 5.038 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.251 3.662 -3.226 1.00 0.00 H new ATOM 782 N PRO A 48 -4.484 0.625 -7.298 1.00 0.00 N ATOM 783 CA PRO A 48 -5.324 -0.164 -8.204 1.00 0.00 C ATOM 784 C PRO A 48 -5.238 -1.670 -7.958 1.00 0.00 C ATOM 785 O PRO A 48 -6.178 -2.377 -8.325 1.00 0.00 O ATOM 786 CB PRO A 48 -4.858 0.210 -9.611 1.00 0.00 C ATOM 787 CG PRO A 48 -3.405 0.636 -9.417 1.00 0.00 C ATOM 788 CD PRO A 48 -3.434 1.312 -8.054 1.00 0.00 C ATOM 0 HA PRO A 48 -6.378 0.064 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.939 -0.634 -10.296 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.459 1.018 -10.029 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.727 -0.218 -9.431 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.075 1.318 -10.200 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.470 1.226 -7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.651 2.376 -8.148 1.00 0.00 H new ATOM 796 N GLU A 49 -4.155 -2.152 -7.345 1.00 0.00 N ATOM 797 CA GLU A 49 -3.911 -3.551 -7.027 1.00 0.00 C ATOM 798 C GLU A 49 -4.916 -4.022 -5.972 1.00 0.00 C ATOM 799 O GLU A 49 -5.639 -4.994 -6.186 1.00 0.00 O ATOM 800 CB GLU A 49 -2.457 -3.698 -6.531 1.00 0.00 C ATOM 801 CG GLU A 49 -1.921 -5.126 -6.494 1.00 0.00 C ATOM 802 CD GLU A 49 -1.410 -5.607 -7.858 1.00 0.00 C ATOM 803 OE1 GLU A 49 -2.006 -5.270 -8.907 1.00 0.00 O ATOM 804 OE2 GLU A 49 -0.394 -6.337 -7.883 1.00 0.00 O ATOM 0 H GLU A 49 -3.392 -1.545 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.043 -4.175 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.810 -3.101 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.388 -3.276 -5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.112 -5.186 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.709 -5.796 -6.150 1.00 0.00 H new ATOM 811 N LEU A 50 -4.977 -3.332 -4.830 1.00 0.00 N ATOM 812 CA LEU A 50 -5.884 -3.676 -3.738 1.00 0.00 C ATOM 813 C LEU A 50 -7.323 -3.508 -4.199 1.00 0.00 C ATOM 814 O LEU A 50 -8.150 -4.353 -3.868 1.00 0.00 O ATOM 815 CB LEU A 50 -5.566 -2.854 -2.473 1.00 0.00 C ATOM 816 CG LEU A 50 -4.676 -3.567 -1.427 1.00 0.00 C ATOM 817 CD1 LEU A 50 -5.461 -4.589 -0.599 1.00 0.00 C ATOM 818 CD2 LEU A 50 -3.492 -4.299 -2.081 1.00 0.00 C ATOM 0 H LEU A 50 -4.395 -2.516 -4.639 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.742 -4.721 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.074 -1.930 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.505 -2.574 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.307 -2.775 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.794 -5.063 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.268 -4.084 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.880 -5.348 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.894 -4.785 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.868 -5.050 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.874 -3.582 -2.621 1.00 0.00 H new ATOM 830 N ALA A 51 -7.618 -2.490 -5.014 1.00 0.00 N ATOM 831 CA ALA A 51 -8.960 -2.248 -5.530 1.00 0.00 C ATOM 832 C ALA A 51 -9.503 -3.458 -6.306 1.00 0.00 C ATOM 833 O ALA A 51 -10.623 -3.923 -6.051 1.00 0.00 O ATOM 834 CB ALA A 51 -8.925 -1.022 -6.437 1.00 0.00 C ATOM 0 H ALA A 51 -6.927 -1.811 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.628 -2.078 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.924 -0.831 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.588 -0.157 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.238 -1.201 -7.264 1.00 0.00 H new ATOM 840 N ARG A 52 -8.729 -3.973 -7.274 1.00 0.00 N ATOM 841 CA ARG A 52 -9.181 -5.129 -8.058 1.00 0.00 C ATOM 842 C ARG A 52 -9.412 -6.315 -7.149 1.00 0.00 C ATOM 843 O ARG A 52 -10.489 -6.910 -7.153 1.00 0.00 O ATOM 844 CB ARG A 52 -8.231 -5.496 -9.200 1.00 0.00 C ATOM 845 CG ARG A 52 -6.734 -5.661 -8.921 1.00 0.00 C ATOM 846 CD ARG A 52 -5.983 -6.106 -10.181 1.00 0.00 C ATOM 847 NE ARG A 52 -4.869 -7.011 -9.844 1.00 0.00 N ATOM 848 CZ ARG A 52 -3.716 -7.142 -10.508 1.00 0.00 C ATOM 849 NH1 ARG A 52 -3.477 -6.396 -11.578 1.00 0.00 N ATOM 850 NH2 ARG A 52 -2.823 -8.049 -10.135 1.00 0.00 N ATOM 0 H ARG A 52 -7.808 -3.616 -7.528 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.121 -4.842 -8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.587 -6.432 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.336 -4.731 -9.969 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.322 -4.718 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.587 -6.395 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.672 -6.609 -10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.599 -5.232 -10.707 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.991 -7.598 -9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.173 -5.721 -11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.597 -6.497 -12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.013 -8.654 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.946 -8.142 -10.647 1.00 0.00 H new ATOM 864 N VAL A 53 -8.392 -6.613 -6.360 1.00 0.00 N ATOM 865 CA VAL A 53 -8.412 -7.711 -5.399 1.00 0.00 C ATOM 866 C VAL A 53 -9.662 -7.595 -4.519 1.00 0.00 C ATOM 867 O VAL A 53 -10.364 -8.589 -4.380 1.00 0.00 O ATOM 868 CB VAL A 53 -7.107 -7.809 -4.577 1.00 0.00 C ATOM 869 CG1 VAL A 53 -7.178 -8.957 -3.558 1.00 0.00 C ATOM 870 CG2 VAL A 53 -5.886 -8.118 -5.454 1.00 0.00 C ATOM 0 H VAL A 53 -7.514 -6.094 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.465 -8.651 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.003 -6.838 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.246 -9.001 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.008 -8.785 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.330 -9.900 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.995 -8.177 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.035 -9.070 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.760 -7.327 -6.193 1.00 0.00 H new ATOM 880 N LEU A 54 -10.021 -6.418 -4.006 1.00 0.00 N ATOM 881 CA LEU A 54 -11.187 -6.215 -3.152 1.00 0.00 C ATOM 882 C LEU A 54 -12.459 -6.694 -3.839 1.00 0.00 C ATOM 883 O LEU A 54 -13.168 -7.560 -3.297 1.00 0.00 O ATOM 884 CB LEU A 54 -11.272 -4.738 -2.740 1.00 0.00 C ATOM 885 CG LEU A 54 -12.614 -4.322 -2.112 1.00 0.00 C ATOM 886 CD1 LEU A 54 -13.021 -5.225 -0.954 1.00 0.00 C ATOM 887 CD2 LEU A 54 -12.488 -2.893 -1.586 1.00 0.00 C ATOM 0 H LEU A 54 -9.496 -5.561 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.079 -6.814 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.473 -4.526 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.090 -4.119 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.378 -4.402 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.974 -4.888 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.121 -6.250 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.259 -5.184 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.433 -2.586 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.699 -2.850 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.242 -2.223 -2.409 1.00 0.00 H new ATOM 899 N ARG A 55 -12.775 -6.153 -5.026 1.00 0.00 N ATOM 900 CA ARG A 55 -13.998 -6.612 -5.701 1.00 0.00 C ATOM 901 C ARG A 55 -13.942 -8.116 -5.954 1.00 0.00 C ATOM 902 O ARG A 55 -14.981 -8.778 -5.968 1.00 0.00 O ATOM 903 CB ARG A 55 -14.338 -5.809 -6.957 1.00 0.00 C ATOM 904 CG ARG A 55 -13.294 -5.813 -8.079 1.00 0.00 C ATOM 905 CD ARG A 55 -13.916 -5.451 -9.434 1.00 0.00 C ATOM 906 NE ARG A 55 -14.767 -6.527 -9.978 1.00 0.00 N ATOM 907 CZ ARG A 55 -14.358 -7.669 -10.554 1.00 0.00 C ATOM 908 NH1 ARG A 55 -13.064 -7.971 -10.661 1.00 0.00 N ATOM 909 NH2 ARG A 55 -15.272 -8.510 -11.021 1.00 0.00 N ATOM 0 H ARG A 55 -12.236 -5.438 -5.515 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.829 -6.421 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.275 -6.191 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.517 -4.775 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.501 -5.103 -7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.832 -6.798 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.510 -4.544 -9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.121 -5.228 -10.146 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.775 -6.388 -9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.359 -7.328 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.779 -8.845 -11.103 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.263 -8.283 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.983 -9.383 -11.462 1.00 0.00 H new ATOM 923 N ASN A 56 -12.738 -8.657 -6.146 1.00 0.00 N ATOM 924 CA ASN A 56 -12.518 -10.066 -6.367 1.00 0.00 C ATOM 925 C ASN A 56 -12.883 -10.842 -5.093 1.00 0.00 C ATOM 926 O ASN A 56 -13.529 -11.879 -5.197 1.00 0.00 O ATOM 927 CB ASN A 56 -11.089 -10.313 -6.859 1.00 0.00 C ATOM 928 CG ASN A 56 -10.432 -11.500 -6.179 1.00 0.00 C ATOM 929 OD1 ASN A 56 -10.505 -12.627 -6.655 1.00 0.00 O ATOM 930 ND2 ASN A 56 -9.798 -11.241 -5.055 1.00 0.00 N ATOM 0 H ASN A 56 -11.879 -8.107 -6.150 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.168 -10.437 -7.159 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.104 -10.479 -7.936 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.489 -9.420 -6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.341 -11.995 -4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.764 -10.286 -4.697 1.00 0.00 H new ATOM 937 N VAL A 57 -12.553 -10.342 -3.898 1.00 0.00 N ATOM 938 CA VAL A 57 -12.876 -11.024 -2.652 1.00 0.00 C ATOM 939 C VAL A 57 -14.393 -11.152 -2.531 1.00 0.00 C ATOM 940 O VAL A 57 -14.894 -12.265 -2.388 1.00 0.00 O ATOM 941 CB VAL A 57 -12.284 -10.311 -1.407 1.00 0.00 C ATOM 942 CG1 VAL A 57 -12.615 -11.083 -0.117 1.00 0.00 C ATOM 943 CG2 VAL A 57 -10.761 -10.156 -1.462 1.00 0.00 C ATOM 0 H VAL A 57 -12.058 -9.459 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.419 -12.013 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.742 -9.322 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.188 -10.561 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.697 -11.148 0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.195 -12.087 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.414 -9.650 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.297 -11.140 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.487 -9.567 -2.337 1.00 0.00 H new ATOM 953 N PHE A 58 -15.151 -10.048 -2.623 1.00 0.00 N ATOM 954 CA PHE A 58 -16.609 -10.160 -2.455 1.00 0.00 C ATOM 955 C PHE A 58 -17.268 -10.971 -3.563 1.00 0.00 C ATOM 956 O PHE A 58 -18.324 -11.568 -3.333 1.00 0.00 O ATOM 957 CB PHE A 58 -17.302 -8.798 -2.322 1.00 0.00 C ATOM 958 CG PHE A 58 -17.196 -8.101 -0.968 1.00 0.00 C ATOM 959 CD1 PHE A 58 -16.053 -8.207 -0.147 1.00 0.00 C ATOM 960 CD2 PHE A 58 -18.273 -7.307 -0.530 1.00 0.00 C ATOM 961 CE1 PHE A 58 -16.014 -7.566 1.102 1.00 0.00 C ATOM 962 CE2 PHE A 58 -18.226 -6.658 0.718 1.00 0.00 C ATOM 963 CZ PHE A 58 -17.097 -6.790 1.540 1.00 0.00 C ATOM 0 H PHE A 58 -14.800 -9.108 -2.804 1.00 0.00 H new ATOM 0 HA PHE A 58 -16.741 -10.697 -1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -16.890 -8.132 -3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -18.359 -8.930 -2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.204 -8.784 -0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -19.144 -7.195 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -15.142 -7.672 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -19.062 -6.057 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 58 -17.062 -6.299 2.501 1.00 0.00 H new ATOM 973 N VAL A 59 -16.694 -10.986 -4.770 1.00 0.00 N ATOM 974 CA VAL A 59 -17.322 -11.776 -5.836 1.00 0.00 C ATOM 975 C VAL A 59 -17.074 -13.266 -5.594 1.00 0.00 C ATOM 976 O VAL A 59 -18.006 -14.065 -5.699 1.00 0.00 O ATOM 977 CB VAL A 59 -16.950 -11.284 -7.252 1.00 0.00 C ATOM 978 CG1 VAL A 59 -15.610 -11.758 -7.792 1.00 0.00 C ATOM 979 CG2 VAL A 59 -18.033 -11.701 -8.253 1.00 0.00 C ATOM 0 H VAL A 59 -15.841 -10.489 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 59 -18.400 -11.624 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.871 -10.202 -7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -15.456 -11.351 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.811 -11.416 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.601 -12.847 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.763 -11.350 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.121 -12.787 -8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.987 -11.263 -7.960 1.00 0.00 H new ATOM 989 N SER A 60 -15.841 -13.633 -5.244 1.00 0.00 N ATOM 990 CA SER A 60 -15.422 -15.000 -4.990 1.00 0.00 C ATOM 991 C SER A 60 -16.212 -15.569 -3.811 1.00 0.00 C ATOM 992 O SER A 60 -16.768 -16.663 -3.902 1.00 0.00 O ATOM 993 CB SER A 60 -13.905 -14.970 -4.727 1.00 0.00 C ATOM 994 OG SER A 60 -13.270 -16.210 -4.947 1.00 0.00 O ATOM 0 H SER A 60 -15.085 -12.959 -5.127 1.00 0.00 H new ATOM 0 HA SER A 60 -15.621 -15.652 -5.840 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.448 -14.218 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.729 -14.659 -3.697 1.00 0.00 H new ATOM 0 HG SER A 60 -12.311 -16.123 -4.765 1.00 0.00 H new ATOM 1000 N GLU A 61 -16.358 -14.770 -2.749 1.00 0.00 N ATOM 1001 CA GLU A 61 -17.050 -15.131 -1.520 1.00 0.00 C ATOM 1002 C GLU A 61 -18.549 -15.406 -1.679 1.00 0.00 C ATOM 1003 O GLU A 61 -19.161 -15.926 -0.745 1.00 0.00 O ATOM 1004 CB GLU A 61 -16.834 -14.006 -0.491 1.00 0.00 C ATOM 1005 CG GLU A 61 -16.899 -14.463 0.971 1.00 0.00 C ATOM 1006 CD GLU A 61 -15.697 -15.320 1.371 1.00 0.00 C ATOM 1007 OE1 GLU A 61 -15.679 -16.530 1.054 1.00 0.00 O ATOM 1008 OE2 GLU A 61 -14.803 -14.819 2.093 1.00 0.00 O ATOM 0 H GLU A 61 -15.982 -13.822 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.621 -16.077 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.862 -13.546 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.587 -13.234 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.950 -13.588 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.815 -15.031 1.130 1.00 0.00 H new ATOM 1015 N ARG A 62 -19.169 -15.063 -2.818 1.00 0.00 N ATOM 1016 CA ARG A 62 -20.606 -15.268 -3.062 1.00 0.00 C ATOM 1017 C ARG A 62 -21.469 -14.386 -2.138 1.00 0.00 C ATOM 1018 O ARG A 62 -22.677 -14.603 -2.055 1.00 0.00 O ATOM 1019 CB ARG A 62 -20.933 -16.779 -2.996 1.00 0.00 C ATOM 1020 CG ARG A 62 -22.243 -17.223 -3.668 1.00 0.00 C ATOM 1021 CD ARG A 62 -22.241 -18.756 -3.727 1.00 0.00 C ATOM 1022 NE ARG A 62 -23.547 -19.318 -4.110 1.00 0.00 N ATOM 1023 CZ ARG A 62 -23.780 -20.505 -4.691 1.00 0.00 C ATOM 1024 NH1 ARG A 62 -22.797 -21.304 -5.105 1.00 0.00 N ATOM 1025 NH2 ARG A 62 -25.034 -20.901 -4.845 1.00 0.00 N ATOM 0 H ARG A 62 -18.683 -14.631 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 62 -20.862 -14.938 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -20.110 -17.327 -3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -20.969 -17.076 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -23.103 -16.863 -3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -22.320 -16.802 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -21.486 -19.086 -4.441 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -21.953 -19.151 -2.753 1.00 0.00 H new ATOM 0 HE ARG A 62 -24.365 -18.741 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -21.825 -21.021 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -23.017 -22.199 -5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -25.799 -20.308 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -25.235 -21.800 -5.284 1.00 0.00 H new ATOM 1039 N LYS A 63 -20.908 -13.392 -1.429 1.00 0.00 N ATOM 1040 CA LYS A 63 -21.655 -12.505 -0.530 1.00 0.00 C ATOM 1041 C LYS A 63 -21.241 -11.057 -0.749 1.00 0.00 C ATOM 1042 O LYS A 63 -20.046 -10.774 -0.799 1.00 0.00 O ATOM 1043 CB LYS A 63 -21.550 -12.933 0.943 1.00 0.00 C ATOM 1044 CG LYS A 63 -20.124 -13.261 1.393 1.00 0.00 C ATOM 1045 CD LYS A 63 -20.034 -13.713 2.853 1.00 0.00 C ATOM 1046 CE LYS A 63 -20.691 -15.083 3.035 1.00 0.00 C ATOM 1047 NZ LYS A 63 -20.468 -15.623 4.390 1.00 0.00 N ATOM 0 H LYS A 63 -19.911 -13.182 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.712 -12.590 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -21.945 -12.135 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -22.181 -13.807 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.721 -14.045 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.496 -12.381 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.989 -13.761 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.522 -12.981 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.762 -15.000 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.292 -15.778 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.928 -16.552 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.447 -15.726 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.871 -14.972 5.094 1.00 0.00 H new ATOM 1061 N PRO A 64 -22.196 -10.120 -0.884 1.00 0.00 N ATOM 1062 CA PRO A 64 -21.891 -8.717 -1.087 1.00 0.00 C ATOM 1063 C PRO A 64 -21.634 -7.977 0.230 1.00 0.00 C ATOM 1064 O PRO A 64 -21.325 -6.786 0.194 1.00 0.00 O ATOM 1065 CB PRO A 64 -23.150 -8.163 -1.761 1.00 0.00 C ATOM 1066 CG PRO A 64 -24.263 -8.919 -1.043 1.00 0.00 C ATOM 1067 CD PRO A 64 -23.643 -10.304 -0.857 1.00 0.00 C ATOM 0 HA PRO A 64 -20.982 -8.588 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -23.241 -7.085 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -23.155 -8.355 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -24.520 -8.457 -0.090 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -25.177 -8.958 -1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -23.960 -10.747 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -23.962 -10.981 -1.649 1.00 0.00 H new ATOM 1075 N ALA A 65 -21.802 -8.639 1.380 1.00 0.00 N ATOM 1076 CA ALA A 65 -21.613 -8.048 2.694 1.00 0.00 C ATOM 1077 C ALA A 65 -20.915 -9.035 3.620 1.00 0.00 C ATOM 1078 O ALA A 65 -21.257 -10.223 3.626 1.00 0.00 O ATOM 1079 CB ALA A 65 -22.978 -7.643 3.249 1.00 0.00 C ATOM 0 H ALA A 65 -22.079 -9.620 1.416 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.980 -7.164 2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -22.852 -7.197 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.442 -6.918 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.615 -8.524 3.327 1.00 0.00 H new ATOM 1085 N LEU A 66 -19.954 -8.537 4.402 1.00 0.00 N ATOM 1086 CA LEU A 66 -19.135 -9.302 5.347 1.00 0.00 C ATOM 1087 C LEU A 66 -19.093 -8.598 6.703 1.00 0.00 C ATOM 1088 O LEU A 66 -19.259 -7.377 6.753 1.00 0.00 O ATOM 1089 CB LEU A 66 -17.677 -9.362 4.826 1.00 0.00 C ATOM 1090 CG LEU A 66 -17.276 -10.452 3.814 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -17.411 -11.840 4.443 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -18.024 -10.392 2.478 1.00 0.00 C ATOM 0 H LEU A 66 -19.715 -7.546 4.394 1.00 0.00 H new ATOM 0 HA LEU A 66 -19.567 -10.298 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -17.453 -8.397 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -17.025 -9.466 5.693 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.233 -10.252 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.124 -12.599 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -16.761 -11.909 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.445 -12.002 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -17.676 -11.197 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -19.094 -10.505 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -17.835 -9.432 1.998 1.00 0.00 H new ATOM 1104 N THR A 67 -18.866 -9.345 7.789 1.00 0.00 N ATOM 1105 CA THR A 67 -18.763 -8.787 9.134 1.00 0.00 C ATOM 1106 C THR A 67 -17.425 -8.045 9.206 1.00 0.00 C ATOM 1107 O THR A 67 -16.471 -8.429 8.523 1.00 0.00 O ATOM 1108 CB THR A 67 -18.816 -9.902 10.198 1.00 0.00 C ATOM 1109 OG1 THR A 67 -19.637 -10.983 9.790 1.00 0.00 O ATOM 1110 CG2 THR A 67 -19.321 -9.363 11.541 1.00 0.00 C ATOM 0 H THR A 67 -18.749 -10.358 7.755 1.00 0.00 H new ATOM 0 HA THR A 67 -19.597 -8.114 9.334 1.00 0.00 H new ATOM 0 HB THR A 67 -17.796 -10.266 10.317 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.553 -10.664 9.651 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.347 -10.172 12.271 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.651 -8.578 11.893 1.00 0.00 H new ATOM 0 HG23 THR A 67 -20.324 -8.955 11.415 1.00 0.00 H new ATOM 1118 N MET A 68 -17.339 -7.022 10.056 1.00 0.00 N ATOM 1119 CA MET A 68 -16.150 -6.205 10.252 1.00 0.00 C ATOM 1120 C MET A 68 -14.944 -7.078 10.591 1.00 0.00 C ATOM 1121 O MET A 68 -13.899 -6.941 9.962 1.00 0.00 O ATOM 1122 CB MET A 68 -16.420 -5.162 11.350 1.00 0.00 C ATOM 1123 CG MET A 68 -15.254 -4.181 11.514 1.00 0.00 C ATOM 1124 SD MET A 68 -14.830 -3.247 10.018 1.00 0.00 S ATOM 1125 CE MET A 68 -16.278 -2.166 9.879 1.00 0.00 C ATOM 0 H MET A 68 -18.121 -6.733 10.644 1.00 0.00 H new ATOM 0 HA MET A 68 -15.916 -5.679 9.326 1.00 0.00 H new ATOM 0 HB2 MET A 68 -17.327 -4.608 11.108 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.600 -5.671 12.297 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.500 -3.476 12.308 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.374 -4.735 11.841 1.00 0.00 H new ATOM 0 HE1 MET A 68 -16.124 -1.454 9.069 1.00 0.00 H new ATOM 0 HE2 MET A 68 -17.162 -2.768 9.670 1.00 0.00 H new ATOM 0 HE3 MET A 68 -16.420 -1.626 10.815 1.00 0.00 H new ATOM 1135 N GLU A 69 -15.105 -8.005 11.537 1.00 0.00 N ATOM 1136 CA GLU A 69 -14.006 -8.878 11.927 1.00 0.00 C ATOM 1137 C GLU A 69 -13.569 -9.769 10.765 1.00 0.00 C ATOM 1138 O GLU A 69 -12.381 -9.831 10.457 1.00 0.00 O ATOM 1139 CB GLU A 69 -14.388 -9.709 13.161 1.00 0.00 C ATOM 1140 CG GLU A 69 -13.206 -10.597 13.569 1.00 0.00 C ATOM 1141 CD GLU A 69 -13.441 -11.337 14.879 1.00 0.00 C ATOM 1142 OE1 GLU A 69 -13.498 -10.682 15.945 1.00 0.00 O ATOM 1143 OE2 GLU A 69 -13.537 -12.584 14.825 1.00 0.00 O ATOM 0 H GLU A 69 -15.977 -8.167 12.040 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.153 -8.254 12.194 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.662 -9.050 13.985 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.260 -10.325 12.941 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.014 -11.322 12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.311 -9.981 13.661 1.00 0.00 H new ATOM 1150 N VAL A 70 -14.522 -10.441 10.115 1.00 0.00 N ATOM 1151 CA VAL A 70 -14.250 -11.347 9.007 1.00 0.00 C ATOM 1152 C VAL A 70 -13.453 -10.637 7.912 1.00 0.00 C ATOM 1153 O VAL A 70 -12.408 -11.141 7.508 1.00 0.00 O ATOM 1154 CB VAL A 70 -15.563 -11.977 8.492 1.00 0.00 C ATOM 1155 CG1 VAL A 70 -15.294 -13.024 7.401 1.00 0.00 C ATOM 1156 CG2 VAL A 70 -16.337 -12.689 9.614 1.00 0.00 C ATOM 0 H VAL A 70 -15.512 -10.368 10.349 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.625 -12.169 9.357 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.150 -11.148 8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.240 -13.447 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.785 -12.551 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.666 -13.818 7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.253 -13.118 9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.720 -13.483 10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.587 -11.972 10.396 1.00 0.00 H new ATOM 1166 N VAL A 71 -13.915 -9.477 7.433 1.00 0.00 N ATOM 1167 CA VAL A 71 -13.228 -8.744 6.378 1.00 0.00 C ATOM 1168 C VAL A 71 -11.859 -8.211 6.836 1.00 0.00 C ATOM 1169 O VAL A 71 -10.923 -8.165 6.033 1.00 0.00 O ATOM 1170 CB VAL A 71 -14.178 -7.673 5.802 1.00 0.00 C ATOM 1171 CG1 VAL A 71 -14.402 -6.446 6.688 1.00 0.00 C ATOM 1172 CG2 VAL A 71 -13.696 -7.215 4.429 1.00 0.00 C ATOM 0 H VAL A 71 -14.768 -9.028 7.766 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.979 -9.421 5.561 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.143 -8.175 5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -15.084 -5.757 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.832 -6.758 7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.449 -5.947 6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.377 -6.460 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.696 -6.791 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.670 -8.067 3.750 1.00 0.00 H new ATOM 1182 N CYS A 72 -11.721 -7.827 8.107 1.00 0.00 N ATOM 1183 CA CYS A 72 -10.477 -7.304 8.654 1.00 0.00 C ATOM 1184 C CYS A 72 -9.426 -8.413 8.676 1.00 0.00 C ATOM 1185 O CYS A 72 -8.319 -8.216 8.157 1.00 0.00 O ATOM 1186 CB CYS A 72 -10.720 -6.725 10.054 1.00 0.00 C ATOM 1187 SG CYS A 72 -9.215 -5.909 10.662 1.00 0.00 S ATOM 0 H CYS A 72 -12.479 -7.873 8.788 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.106 -6.496 8.024 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -11.543 -6.011 10.023 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -11.014 -7.520 10.739 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.434 -5.421 11.847 1.00 0.00 H new ATOM 1193 N ALA A 73 -9.773 -9.558 9.275 1.00 0.00 N ATOM 1194 CA ALA A 73 -8.916 -10.727 9.391 1.00 0.00 C ATOM 1195 C ALA A 73 -8.481 -11.174 7.996 1.00 0.00 C ATOM 1196 O ALA A 73 -7.296 -11.388 7.744 1.00 0.00 O ATOM 1197 CB ALA A 73 -9.662 -11.844 10.130 1.00 0.00 C ATOM 0 H ALA A 73 -10.689 -9.693 9.704 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.024 -10.482 9.967 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.017 -12.718 10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.939 -11.499 11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.562 -12.110 9.575 1.00 0.00 H new ATOM 1203 N ARG A 74 -9.431 -11.263 7.064 1.00 0.00 N ATOM 1204 CA ARG A 74 -9.232 -11.658 5.698 1.00 0.00 C ATOM 1205 C ARG A 74 -8.184 -10.793 5.009 1.00 0.00 C ATOM 1206 O ARG A 74 -7.353 -11.329 4.271 1.00 0.00 O ATOM 1207 CB ARG A 74 -10.638 -11.551 5.097 1.00 0.00 C ATOM 1208 CG ARG A 74 -10.743 -11.460 3.592 1.00 0.00 C ATOM 1209 CD ARG A 74 -10.442 -12.769 2.851 1.00 0.00 C ATOM 1210 NE ARG A 74 -9.067 -13.249 3.078 1.00 0.00 N ATOM 1211 CZ ARG A 74 -8.706 -14.422 3.614 1.00 0.00 C ATOM 1212 NH1 ARG A 74 -9.592 -15.406 3.744 1.00 0.00 N ATOM 1213 NH2 ARG A 74 -7.455 -14.588 4.026 1.00 0.00 N ATOM 0 H ARG A 74 -10.407 -11.047 7.268 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.827 -12.663 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.211 -12.419 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.121 -10.671 5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.749 -11.133 3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.056 -10.691 3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.147 -13.535 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.599 -12.621 1.783 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.312 -12.623 2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.554 -15.270 3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.309 -16.296 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.782 -13.827 3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.167 -15.476 4.436 1.00 0.00 H new ATOM 1227 N MET A 75 -8.231 -9.478 5.216 1.00 0.00 N ATOM 1228 CA MET A 75 -7.298 -8.569 4.581 1.00 0.00 C ATOM 1229 C MET A 75 -5.894 -8.684 5.165 1.00 0.00 C ATOM 1230 O MET A 75 -4.932 -8.849 4.407 1.00 0.00 O ATOM 1231 CB MET A 75 -7.825 -7.128 4.671 1.00 0.00 C ATOM 1232 CG MET A 75 -7.442 -6.340 3.418 1.00 0.00 C ATOM 1233 SD MET A 75 -8.143 -6.929 1.852 1.00 0.00 S ATOM 1234 CE MET A 75 -9.896 -7.169 2.227 1.00 0.00 C ATOM 0 H MET A 75 -8.912 -9.023 5.824 1.00 0.00 H new ATOM 0 HA MET A 75 -7.219 -8.849 3.531 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.909 -7.137 4.785 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.416 -6.639 5.555 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.746 -5.303 3.560 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.356 -6.345 3.330 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.487 -7.001 1.327 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.056 -8.187 2.581 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.203 -6.464 2.999 1.00 0.00 H new ATOM 1244 N VAL A 76 -5.758 -8.585 6.490 1.00 0.00 N ATOM 1245 CA VAL A 76 -4.469 -8.651 7.169 1.00 0.00 C ATOM 1246 C VAL A 76 -3.796 -10.008 6.986 1.00 0.00 C ATOM 1247 O VAL A 76 -2.567 -10.080 6.969 1.00 0.00 O ATOM 1248 CB VAL A 76 -4.618 -8.214 8.639 1.00 0.00 C ATOM 1249 CG1 VAL A 76 -5.240 -9.282 9.541 1.00 0.00 C ATOM 1250 CG2 VAL A 76 -3.282 -7.731 9.213 1.00 0.00 C ATOM 0 H VAL A 76 -6.547 -8.456 7.123 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.786 -7.941 6.702 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.321 -7.381 8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.312 -8.901 10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.236 -9.532 9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.615 -10.175 9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.420 -7.430 10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.552 -8.538 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.923 -6.881 8.633 1.00 0.00 H new ATOM 1260 N ASP A 77 -4.553 -11.086 6.782 1.00 0.00 N ATOM 1261 CA ASP A 77 -3.958 -12.408 6.575 1.00 0.00 C ATOM 1262 C ASP A 77 -3.122 -12.418 5.299 1.00 0.00 C ATOM 1263 O ASP A 77 -2.158 -13.169 5.191 1.00 0.00 O ATOM 1264 CB ASP A 77 -5.028 -13.484 6.431 1.00 0.00 C ATOM 1265 CG ASP A 77 -4.472 -14.910 6.495 1.00 0.00 C ATOM 1266 OD1 ASP A 77 -3.613 -15.203 7.365 1.00 0.00 O ATOM 1267 OD2 ASP A 77 -4.991 -15.764 5.746 1.00 0.00 O ATOM 0 H ASP A 77 -5.573 -11.072 6.756 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.339 -12.618 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.770 -13.356 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.545 -13.346 5.481 1.00 0.00 H new ATOM 1272 N SER A 78 -3.480 -11.581 4.321 1.00 0.00 N ATOM 1273 CA SER A 78 -2.777 -11.483 3.055 1.00 0.00 C ATOM 1274 C SER A 78 -1.498 -10.671 3.199 1.00 0.00 C ATOM 1275 O SER A 78 -0.800 -10.470 2.209 1.00 0.00 O ATOM 1276 CB SER A 78 -3.701 -10.944 1.958 1.00 0.00 C ATOM 1277 OG SER A 78 -4.035 -11.999 1.080 1.00 0.00 O ATOM 0 H SER A 78 -4.277 -10.948 4.395 1.00 0.00 H new ATOM 0 HA SER A 78 -2.475 -12.484 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.604 -10.521 2.400 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.208 -10.141 1.411 1.00 0.00 H new ATOM 0 HG SER A 78 -4.628 -11.663 0.376 1.00 0.00 H new ATOM 1283 N CYS A 79 -1.143 -10.207 4.407 1.00 0.00 N ATOM 1284 CA CYS A 79 0.095 -9.465 4.578 1.00 0.00 C ATOM 1285 C CYS A 79 1.314 -10.372 4.391 1.00 0.00 C ATOM 1286 O CYS A 79 2.443 -9.889 4.502 1.00 0.00 O ATOM 1287 CB CYS A 79 0.123 -8.658 5.872 1.00 0.00 C ATOM 1288 SG CYS A 79 0.435 -9.688 7.332 1.00 0.00 S ATOM 0 H CYS A 79 -1.690 -10.334 5.259 1.00 0.00 H new ATOM 0 HA CYS A 79 0.143 -8.718 3.786 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.895 -7.892 5.801 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.829 -8.141 5.994 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.693 -10.144 7.790 1.00 0.00 H new ATOM 1294 N GLN A 80 1.084 -11.666 4.122 1.00 0.00 N ATOM 1295 CA GLN A 80 2.056 -12.714 3.856 1.00 0.00 C ATOM 1296 C GLN A 80 2.752 -12.419 2.514 1.00 0.00 C ATOM 1297 O GLN A 80 2.628 -13.165 1.542 1.00 0.00 O ATOM 1298 CB GLN A 80 1.307 -14.058 3.827 1.00 0.00 C ATOM 1299 CG GLN A 80 0.927 -14.515 5.236 1.00 0.00 C ATOM 1300 CD GLN A 80 0.149 -15.825 5.209 1.00 0.00 C ATOM 1301 OE1 GLN A 80 0.725 -16.904 5.134 1.00 0.00 O ATOM 1302 NE2 GLN A 80 -1.168 -15.776 5.218 1.00 0.00 N ATOM 0 H GLN A 80 0.131 -12.027 4.084 1.00 0.00 H new ATOM 0 HA GLN A 80 2.824 -12.757 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.407 -13.962 3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.932 -14.815 3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.829 -14.639 5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.327 -13.744 5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.644 -14.876 5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.711 -16.638 5.162 1.00 0.00 H new ATOM 1311 N THR A 81 3.462 -11.298 2.440 1.00 0.00 N ATOM 1312 CA THR A 81 4.198 -10.838 1.291 1.00 0.00 C ATOM 1313 C THR A 81 5.450 -10.139 1.840 1.00 0.00 C ATOM 1314 O THR A 81 6.332 -10.845 2.327 1.00 0.00 O ATOM 1315 CB THR A 81 3.255 -10.053 0.352 1.00 0.00 C ATOM 1316 OG1 THR A 81 3.981 -9.355 -0.628 1.00 0.00 O ATOM 1317 CG2 THR A 81 2.307 -9.081 1.060 1.00 0.00 C ATOM 0 H THR A 81 3.537 -10.658 3.230 1.00 0.00 H new ATOM 0 HA THR A 81 4.569 -11.619 0.627 1.00 0.00 H new ATOM 0 HB THR A 81 2.630 -10.820 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.361 -8.868 -1.210 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.685 -8.576 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.672 -9.632 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.889 -8.342 1.610 1.00 0.00 H new ATOM 1325 N ALA A 82 5.552 -8.804 1.843 1.00 0.00 N ATOM 1326 CA ALA A 82 6.741 -8.098 2.339 1.00 0.00 C ATOM 1327 C ALA A 82 6.423 -6.694 2.870 1.00 0.00 C ATOM 1328 O ALA A 82 7.270 -5.802 2.833 1.00 0.00 O ATOM 1329 CB ALA A 82 7.809 -8.049 1.236 1.00 0.00 C ATOM 0 H ALA A 82 4.816 -8.185 1.503 1.00 0.00 H new ATOM 0 HA ALA A 82 7.127 -8.658 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.690 -7.525 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.084 -9.064 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.412 -7.523 0.368 1.00 0.00 H new ATOM 1335 N LEU A 83 5.194 -6.479 3.327 1.00 0.00 N ATOM 1336 CA LEU A 83 4.688 -5.222 3.880 1.00 0.00 C ATOM 1337 C LEU A 83 4.301 -5.450 5.341 1.00 0.00 C ATOM 1338 O LEU A 83 4.263 -6.595 5.803 1.00 0.00 O ATOM 1339 CB LEU A 83 3.524 -4.659 3.029 1.00 0.00 C ATOM 1340 CG LEU A 83 2.550 -5.708 2.470 1.00 0.00 C ATOM 1341 CD1 LEU A 83 1.746 -6.405 3.568 1.00 0.00 C ATOM 1342 CD2 LEU A 83 1.573 -5.114 1.472 1.00 0.00 C ATOM 0 H LEU A 83 4.485 -7.213 3.323 1.00 0.00 H new ATOM 0 HA LEU A 83 5.467 -4.461 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.960 -3.952 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.945 -4.097 2.195 1.00 0.00 H new ATOM 0 HG LEU A 83 3.184 -6.439 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.074 -7.136 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.427 -6.911 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.163 -5.666 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.907 -5.895 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.986 -4.334 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.124 -4.686 0.635 1.00 0.00 H new ATOM 1354 N SER A 84 4.100 -4.375 6.096 1.00 0.00 N ATOM 1355 CA SER A 84 3.698 -4.477 7.491 1.00 0.00 C ATOM 1356 C SER A 84 2.158 -4.583 7.508 1.00 0.00 C ATOM 1357 O SER A 84 1.498 -4.186 6.543 1.00 0.00 O ATOM 1358 CB SER A 84 4.305 -3.314 8.287 1.00 0.00 C ATOM 1359 OG SER A 84 5.630 -3.629 8.691 1.00 0.00 O ATOM 0 H SER A 84 4.210 -3.418 5.761 1.00 0.00 H new ATOM 0 HA SER A 84 4.079 -5.366 7.993 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.309 -2.411 7.677 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.691 -3.105 9.163 1.00 0.00 H new ATOM 0 HG SER A 84 6.005 -2.878 9.196 1.00 0.00 H new ATOM 1365 N PRO A 85 1.550 -5.115 8.581 1.00 0.00 N ATOM 1366 CA PRO A 85 0.102 -5.284 8.650 1.00 0.00 C ATOM 1367 C PRO A 85 -0.689 -3.971 8.724 1.00 0.00 C ATOM 1368 O PRO A 85 -1.838 -3.942 8.275 1.00 0.00 O ATOM 1369 CB PRO A 85 -0.127 -6.191 9.863 1.00 0.00 C ATOM 1370 CG PRO A 85 1.060 -5.890 10.776 1.00 0.00 C ATOM 1371 CD PRO A 85 2.191 -5.627 9.784 1.00 0.00 C ATOM 0 HA PRO A 85 -0.278 -5.725 7.729 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.075 -5.970 10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.154 -7.242 9.576 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.871 -5.026 11.413 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.286 -6.728 11.435 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.903 -4.906 10.185 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.747 -6.541 9.573 1.00 0.00 H new ATOM 1379 N GLY A 86 -0.113 -2.885 9.250 1.00 0.00 N ATOM 1380 CA GLY A 86 -0.809 -1.606 9.361 1.00 0.00 C ATOM 1381 C GLY A 86 -1.137 -1.003 7.997 1.00 0.00 C ATOM 1382 O GLY A 86 -2.178 -0.366 7.840 1.00 0.00 O ATOM 0 H GLY A 86 0.842 -2.871 9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.731 -1.745 9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.192 -0.907 9.926 1.00 0.00 H new ATOM 1386 N GLU A 87 -0.305 -1.263 6.986 1.00 0.00 N ATOM 1387 CA GLU A 87 -0.454 -0.765 5.617 1.00 0.00 C ATOM 1388 C GLU A 87 -1.726 -1.336 4.997 1.00 0.00 C ATOM 1389 O GLU A 87 -2.345 -0.709 4.138 1.00 0.00 O ATOM 1390 CB GLU A 87 0.769 -1.165 4.770 1.00 0.00 C ATOM 1391 CG GLU A 87 2.063 -0.398 5.079 1.00 0.00 C ATOM 1392 CD GLU A 87 2.271 -0.185 6.572 1.00 0.00 C ATOM 1393 OE1 GLU A 87 2.521 -1.183 7.285 1.00 0.00 O ATOM 1394 OE2 GLU A 87 2.116 0.954 7.062 1.00 0.00 O ATOM 0 H GLU A 87 0.522 -1.848 7.103 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.523 0.323 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.955 -2.230 4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.524 -1.021 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.913 -0.946 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.037 0.569 4.577 1.00 0.00 H new ATOM 1401 N MET A 88 -2.111 -2.540 5.421 1.00 0.00 N ATOM 1402 CA MET A 88 -3.310 -3.196 4.941 1.00 0.00 C ATOM 1403 C MET A 88 -4.518 -2.398 5.432 1.00 0.00 C ATOM 1404 O MET A 88 -5.404 -2.042 4.656 1.00 0.00 O ATOM 1405 CB MET A 88 -3.343 -4.637 5.463 1.00 0.00 C ATOM 1406 CG MET A 88 -4.158 -5.488 4.500 1.00 0.00 C ATOM 1407 SD MET A 88 -3.333 -5.821 2.918 1.00 0.00 S ATOM 1408 CE MET A 88 -2.050 -6.957 3.496 1.00 0.00 C ATOM 0 H MET A 88 -1.592 -3.084 6.111 1.00 0.00 H new ATOM 0 HA MET A 88 -3.328 -3.234 3.852 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.330 -5.030 5.550 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.784 -4.668 6.460 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.392 -6.437 4.981 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.106 -4.987 4.304 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.649 -7.514 2.649 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.249 -6.390 3.970 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.478 -7.653 4.218 1.00 0.00 H new ATOM 1418 N GLU A 89 -4.530 -2.091 6.732 1.00 0.00 N ATOM 1419 CA GLU A 89 -5.595 -1.328 7.359 1.00 0.00 C ATOM 1420 C GLU A 89 -5.673 0.049 6.704 1.00 0.00 C ATOM 1421 O GLU A 89 -6.769 0.522 6.394 1.00 0.00 O ATOM 1422 CB GLU A 89 -5.348 -1.232 8.865 1.00 0.00 C ATOM 1423 CG GLU A 89 -6.626 -0.753 9.567 1.00 0.00 C ATOM 1424 CD GLU A 89 -6.429 -0.254 10.997 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -5.530 0.582 11.230 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -7.291 -0.568 11.859 1.00 0.00 O ATOM 0 H GLU A 89 -3.792 -2.371 7.378 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.554 -1.827 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.048 -2.204 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.530 -0.541 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.068 0.049 8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.344 -1.573 9.580 1.00 0.00 H new ATOM 1433 N LYS A 90 -4.509 0.671 6.463 1.00 0.00 N ATOM 1434 CA LYS A 90 -4.436 1.973 5.816 1.00 0.00 C ATOM 1435 C LYS A 90 -5.077 1.895 4.437 1.00 0.00 C ATOM 1436 O LYS A 90 -5.666 2.887 4.020 1.00 0.00 O ATOM 1437 CB LYS A 90 -2.993 2.468 5.656 1.00 0.00 C ATOM 1438 CG LYS A 90 -2.395 2.962 6.976 1.00 0.00 C ATOM 1439 CD LYS A 90 -1.102 3.730 6.711 1.00 0.00 C ATOM 1440 CE LYS A 90 -0.324 4.054 7.991 1.00 0.00 C ATOM 1441 NZ LYS A 90 -0.984 5.078 8.828 1.00 0.00 N ATOM 0 H LYS A 90 -3.600 0.281 6.713 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.967 2.678 6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.377 1.661 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.968 3.276 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.110 3.604 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.196 2.116 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.468 3.144 6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.338 4.658 6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.200 3.142 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.675 4.400 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.411 5.254 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.079 5.961 8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.927 4.741 9.110 1.00 0.00 H new ATOM 1455 N HIS A 91 -4.987 0.755 3.736 1.00 0.00 N ATOM 1456 CA HIS A 91 -5.560 0.642 2.406 1.00 0.00 C ATOM 1457 C HIS A 91 -7.084 0.585 2.454 1.00 0.00 C ATOM 1458 O HIS A 91 -7.760 1.149 1.594 1.00 0.00 O ATOM 1459 CB HIS A 91 -4.974 -0.561 1.654 1.00 0.00 C ATOM 1460 CG HIS A 91 -4.747 -0.228 0.204 1.00 0.00 C ATOM 1461 ND1 HIS A 91 -3.523 -0.061 -0.401 1.00 0.00 N ATOM 1462 CD2 HIS A 91 -5.708 0.126 -0.704 1.00 0.00 C ATOM 1463 CE1 HIS A 91 -3.740 0.392 -1.642 1.00 0.00 C ATOM 1464 NE2 HIS A 91 -5.055 0.523 -1.872 1.00 0.00 N ATOM 0 H HIS A 91 -4.525 -0.090 4.073 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.291 1.542 1.853 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.032 -0.860 2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.652 -1.411 1.735 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -2.613 -0.249 0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.776 0.102 -0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.964 0.620 -2.358 1.00 0.00 H new ATOM 1472 N LEU A 92 -7.631 -0.081 3.469 1.00 0.00 N ATOM 1473 CA LEU A 92 -9.072 -0.219 3.635 1.00 0.00 C ATOM 1474 C LEU A 92 -9.740 1.130 3.884 1.00 0.00 C ATOM 1475 O LEU A 92 -10.783 1.422 3.282 1.00 0.00 O ATOM 1476 CB LEU A 92 -9.373 -1.157 4.816 1.00 0.00 C ATOM 1477 CG LEU A 92 -8.923 -2.604 4.570 1.00 0.00 C ATOM 1478 CD1 LEU A 92 -8.944 -3.399 5.874 1.00 0.00 C ATOM 1479 CD2 LEU A 92 -9.828 -3.284 3.542 1.00 0.00 C ATOM 0 H LEU A 92 -7.085 -0.540 4.199 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.474 -0.636 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.878 -0.776 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.444 -1.146 5.016 1.00 0.00 H new ATOM 0 HG LEU A 92 -7.904 -2.578 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.622 -4.422 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.269 -2.936 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.956 -3.407 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.492 -4.308 3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.854 -3.292 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.784 -2.737 2.600 1.00 0.00 H new ATOM 1491 N VAL A 93 -9.160 1.928 4.789 1.00 0.00 N ATOM 1492 CA VAL A 93 -9.721 3.229 5.133 1.00 0.00 C ATOM 1493 C VAL A 93 -9.555 4.187 3.955 1.00 0.00 C ATOM 1494 O VAL A 93 -10.490 4.924 3.648 1.00 0.00 O ATOM 1495 CB VAL A 93 -9.166 3.715 6.489 1.00 0.00 C ATOM 1496 CG1 VAL A 93 -7.649 3.920 6.511 1.00 0.00 C ATOM 1497 CG2 VAL A 93 -9.872 4.996 6.946 1.00 0.00 C ATOM 0 H VAL A 93 -8.305 1.691 5.292 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.797 3.166 5.295 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.377 2.906 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.342 4.262 7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.151 2.978 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.372 4.667 5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.461 5.316 7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.718 5.780 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.939 4.804 7.055 1.00 0.00 H new ATOM 1507 N LEU A 94 -8.405 4.135 3.277 1.00 0.00 N ATOM 1508 CA LEU A 94 -8.034 4.929 2.111 1.00 0.00 C ATOM 1509 C LEU A 94 -9.092 4.801 1.030 1.00 0.00 C ATOM 1510 O LEU A 94 -9.642 5.797 0.566 1.00 0.00 O ATOM 1511 CB LEU A 94 -6.685 4.382 1.617 1.00 0.00 C ATOM 1512 CG LEU A 94 -6.315 4.492 0.130 1.00 0.00 C ATOM 1513 CD1 LEU A 94 -6.270 5.940 -0.360 1.00 0.00 C ATOM 1514 CD2 LEU A 94 -4.928 3.855 -0.025 1.00 0.00 C ATOM 0 H LEU A 94 -7.661 3.493 3.550 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.955 5.987 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.902 4.885 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.644 3.326 1.885 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.074 3.988 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.004 5.958 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.249 6.401 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.526 6.494 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.618 3.908 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.210 4.392 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.970 2.812 0.289 1.00 0.00 H new ATOM 1526 N LEU A 95 -9.369 3.562 0.633 1.00 0.00 N ATOM 1527 CA LEU A 95 -10.340 3.260 -0.398 1.00 0.00 C ATOM 1528 C LEU A 95 -11.707 3.805 0.003 1.00 0.00 C ATOM 1529 O LEU A 95 -12.346 4.467 -0.813 1.00 0.00 O ATOM 1530 CB LEU A 95 -10.337 1.745 -0.638 1.00 0.00 C ATOM 1531 CG LEU A 95 -9.327 1.285 -1.704 1.00 0.00 C ATOM 1532 CD1 LEU A 95 -9.232 -0.246 -1.710 1.00 0.00 C ATOM 1533 CD2 LEU A 95 -9.714 1.751 -3.110 1.00 0.00 C ATOM 0 H LEU A 95 -8.918 2.736 1.026 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.083 3.745 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.115 1.239 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.337 1.433 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.368 1.732 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.515 -0.563 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.903 -0.594 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.210 -0.670 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.971 1.402 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.690 1.344 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.757 2.840 -3.133 1.00 0.00 H new ATOM 1545 N ALA A 96 -12.146 3.568 1.245 1.00 0.00 N ATOM 1546 CA ALA A 96 -13.438 4.077 1.702 1.00 0.00 C ATOM 1547 C ALA A 96 -13.486 5.618 1.700 1.00 0.00 C ATOM 1548 O ALA A 96 -14.537 6.204 1.442 1.00 0.00 O ATOM 1549 CB ALA A 96 -13.730 3.533 3.102 1.00 0.00 C ATOM 0 H ALA A 96 -11.630 3.032 1.943 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.204 3.735 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.693 3.911 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.758 2.444 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.947 3.856 3.788 1.00 0.00 H new ATOM 1555 N GLU A 97 -12.358 6.286 1.956 1.00 0.00 N ATOM 1556 CA GLU A 97 -12.222 7.743 2.005 1.00 0.00 C ATOM 1557 C GLU A 97 -12.391 8.383 0.620 1.00 0.00 C ATOM 1558 O GLU A 97 -12.781 9.547 0.507 1.00 0.00 O ATOM 1559 CB GLU A 97 -10.823 8.071 2.563 1.00 0.00 C ATOM 1560 CG GLU A 97 -10.679 9.436 3.239 1.00 0.00 C ATOM 1561 CD GLU A 97 -11.469 9.556 4.546 1.00 0.00 C ATOM 1562 OE1 GLU A 97 -11.339 8.681 5.440 1.00 0.00 O ATOM 1563 OE2 GLU A 97 -12.183 10.570 4.697 1.00 0.00 O ATOM 0 H GLU A 97 -11.478 5.805 2.143 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.006 8.150 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.550 7.300 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.104 8.014 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.625 9.623 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.013 10.211 2.549 1.00 0.00 H new ATOM 1570 N LEU A 98 -12.099 7.640 -0.451 1.00 0.00 N ATOM 1571 CA LEU A 98 -12.210 8.141 -1.817 1.00 0.00 C ATOM 1572 C LEU A 98 -13.434 7.585 -2.526 1.00 0.00 C ATOM 1573 O LEU A 98 -13.825 8.146 -3.552 1.00 0.00 O ATOM 1574 CB LEU A 98 -10.929 7.818 -2.612 1.00 0.00 C ATOM 1575 CG LEU A 98 -9.841 8.903 -2.478 1.00 0.00 C ATOM 1576 CD1 LEU A 98 -9.241 8.987 -1.071 1.00 0.00 C ATOM 1577 CD2 LEU A 98 -8.709 8.630 -3.472 1.00 0.00 C ATOM 0 H LEU A 98 -11.779 6.673 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.330 9.223 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.527 6.865 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.184 7.696 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.331 9.854 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.483 9.769 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.028 9.220 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.785 8.031 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.944 9.400 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.271 7.654 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.106 8.642 -4.487 1.00 0.00 H new ATOM 1589 N LEU A 99 -14.075 6.545 -1.983 1.00 0.00 N ATOM 1590 CA LEU A 99 -15.227 5.898 -2.602 1.00 0.00 C ATOM 1591 C LEU A 99 -16.393 5.718 -1.612 1.00 0.00 C ATOM 1592 O LEU A 99 -16.675 4.587 -1.200 1.00 0.00 O ATOM 1593 CB LEU A 99 -14.743 4.567 -3.209 1.00 0.00 C ATOM 1594 CG LEU A 99 -13.548 4.678 -4.180 1.00 0.00 C ATOM 1595 CD1 LEU A 99 -13.004 3.299 -4.528 1.00 0.00 C ATOM 1596 CD2 LEU A 99 -13.945 5.400 -5.468 1.00 0.00 C ATOM 0 H LEU A 99 -13.803 6.128 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.634 6.529 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.468 3.895 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.576 4.104 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.774 5.256 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.163 3.402 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.672 2.799 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.788 2.708 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.082 5.462 -6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.744 4.848 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.292 6.405 -5.229 1.00 0.00 H new ATOM 1608 N PRO A 100 -17.114 6.803 -1.260 1.00 0.00 N ATOM 1609 CA PRO A 100 -18.235 6.786 -0.317 1.00 0.00 C ATOM 1610 C PRO A 100 -19.484 6.068 -0.832 1.00 0.00 C ATOM 1611 O PRO A 100 -20.449 5.918 -0.084 1.00 0.00 O ATOM 1612 CB PRO A 100 -18.558 8.258 -0.027 1.00 0.00 C ATOM 1613 CG PRO A 100 -18.096 8.972 -1.292 1.00 0.00 C ATOM 1614 CD PRO A 100 -16.868 8.166 -1.702 1.00 0.00 C ATOM 0 HA PRO A 100 -17.942 6.224 0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.622 8.408 0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -18.030 8.620 0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.864 8.962 -2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.850 10.016 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.719 8.205 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.966 8.568 -1.241 1.00 0.00 H new ATOM 1622 N ASP A 101 -19.537 5.673 -2.100 1.00 0.00 N ATOM 1623 CA ASP A 101 -20.686 4.964 -2.679 1.00 0.00 C ATOM 1624 C ASP A 101 -20.291 3.545 -3.094 1.00 0.00 C ATOM 1625 O ASP A 101 -21.122 2.768 -3.570 1.00 0.00 O ATOM 1626 CB ASP A 101 -21.264 5.771 -3.840 1.00 0.00 C ATOM 1627 CG ASP A 101 -22.533 5.154 -4.432 1.00 0.00 C ATOM 1628 OD1 ASP A 101 -23.503 4.857 -3.698 1.00 0.00 O ATOM 1629 OD2 ASP A 101 -22.547 4.948 -5.668 1.00 0.00 O ATOM 0 H ASP A 101 -18.780 5.835 -2.765 1.00 0.00 H new ATOM 0 HA ASP A 101 -21.468 4.865 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -21.486 6.781 -3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -20.511 5.858 -4.623 1.00 0.00 H new ATOM 1634 N TRP A 102 -19.013 3.190 -2.969 1.00 0.00 N ATOM 1635 CA TRP A 102 -18.538 1.865 -3.310 1.00 0.00 C ATOM 1636 C TRP A 102 -18.630 1.051 -2.022 1.00 0.00 C ATOM 1637 O TRP A 102 -19.399 0.087 -1.959 1.00 0.00 O ATOM 1638 CB TRP A 102 -17.136 1.954 -3.922 1.00 0.00 C ATOM 1639 CG TRP A 102 -16.638 0.742 -4.640 1.00 0.00 C ATOM 1640 CD1 TRP A 102 -17.330 0.028 -5.552 1.00 0.00 C ATOM 1641 CD2 TRP A 102 -15.338 0.090 -4.534 1.00 0.00 C ATOM 1642 NE1 TRP A 102 -16.562 -1.024 -6.002 1.00 0.00 N ATOM 1643 CE2 TRP A 102 -15.313 -1.023 -5.425 1.00 0.00 C ATOM 1644 CE3 TRP A 102 -14.191 0.302 -3.744 1.00 0.00 C ATOM 1645 CZ2 TRP A 102 -14.199 -1.864 -5.546 1.00 0.00 C ATOM 1646 CZ3 TRP A 102 -13.062 -0.526 -3.871 1.00 0.00 C ATOM 1647 CH2 TRP A 102 -13.067 -1.615 -4.758 1.00 0.00 C ATOM 0 H TRP A 102 -18.285 3.817 -2.628 1.00 0.00 H new ATOM 0 HA TRP A 102 -19.132 1.369 -4.077 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -17.122 2.792 -4.619 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -16.431 2.190 -3.125 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -18.335 0.248 -5.880 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -16.880 -1.717 -6.679 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.179 1.113 -3.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -14.212 -2.693 -6.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -12.181 -0.322 -3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -12.202 -2.258 -4.833 1.00 0.00 H new ATOM 1658 N LEU A 103 -17.836 1.425 -1.011 1.00 0.00 N ATOM 1659 CA LEU A 103 -17.811 0.775 0.293 1.00 0.00 C ATOM 1660 C LEU A 103 -18.813 1.495 1.180 1.00 0.00 C ATOM 1661 O LEU A 103 -18.828 2.724 1.227 1.00 0.00 O ATOM 1662 CB LEU A 103 -16.419 0.859 0.948 1.00 0.00 C ATOM 1663 CG LEU A 103 -15.367 -0.027 0.259 1.00 0.00 C ATOM 1664 CD1 LEU A 103 -13.959 0.535 0.458 1.00 0.00 C ATOM 1665 CD2 LEU A 103 -15.449 -1.465 0.799 1.00 0.00 C ATOM 0 H LEU A 103 -17.182 2.204 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 103 -18.057 -0.280 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -16.079 1.895 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -16.500 0.567 1.995 1.00 0.00 H new ATOM 0 HG LEU A 103 -15.578 -0.037 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.236 -0.111 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.904 1.537 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.733 0.580 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.700 -2.083 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -15.264 -1.461 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -16.441 -1.871 0.603 1.00 0.00 H new ATOM 1677 N SER A 104 -19.611 0.726 1.905 1.00 0.00 N ATOM 1678 CA SER A 104 -20.628 1.197 2.831 1.00 0.00 C ATOM 1679 C SER A 104 -20.563 0.306 4.068 1.00 0.00 C ATOM 1680 O SER A 104 -20.086 -0.829 3.985 1.00 0.00 O ATOM 1681 CB SER A 104 -21.996 1.114 2.145 1.00 0.00 C ATOM 1682 OG SER A 104 -22.106 2.082 1.119 1.00 0.00 O ATOM 0 H SER A 104 -19.564 -0.292 1.861 1.00 0.00 H new ATOM 0 HA SER A 104 -20.466 2.234 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 104 -22.138 0.117 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 104 -22.786 1.266 2.880 1.00 0.00 H new ATOM 0 HG SER A 104 -22.986 2.010 0.694 1.00 0.00 H new ATOM 1688 N LEU A 105 -21.046 0.775 5.218 1.00 0.00 N ATOM 1689 CA LEU A 105 -21.044 -0.001 6.458 1.00 0.00 C ATOM 1690 C LEU A 105 -22.440 -0.006 7.055 1.00 0.00 C ATOM 1691 O LEU A 105 -23.248 0.885 6.793 1.00 0.00 O ATOM 1692 CB LEU A 105 -19.947 0.476 7.429 1.00 0.00 C ATOM 1693 CG LEU A 105 -20.203 1.859 8.061 1.00 0.00 C ATOM 1694 CD1 LEU A 105 -20.972 1.777 9.391 1.00 0.00 C ATOM 1695 CD2 LEU A 105 -18.873 2.571 8.325 1.00 0.00 C ATOM 0 H LEU A 105 -21.451 1.706 5.316 1.00 0.00 H new ATOM 0 HA LEU A 105 -20.785 -1.037 6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -19.842 -0.259 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -18.997 0.505 6.896 1.00 0.00 H new ATOM 0 HG LEU A 105 -20.812 2.412 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -21.122 2.781 9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.940 1.305 9.223 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -20.400 1.186 10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -19.065 3.547 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -18.269 1.972 9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -18.337 2.701 7.385 1.00 0.00 H new ATOM 1707 N HIS A 106 -22.733 -1.020 7.858 1.00 0.00 N ATOM 1708 CA HIS A 106 -24.006 -1.211 8.519 1.00 0.00 C ATOM 1709 C HIS A 106 -23.732 -1.677 9.940 1.00 0.00 C ATOM 1710 O HIS A 106 -23.069 -2.694 10.156 1.00 0.00 O ATOM 1711 CB HIS A 106 -24.860 -2.235 7.762 1.00 0.00 C ATOM 1712 CG HIS A 106 -25.343 -1.760 6.415 1.00 0.00 C ATOM 1713 ND1 HIS A 106 -26.496 -1.041 6.188 1.00 0.00 N ATOM 1714 CD2 HIS A 106 -24.738 -1.977 5.206 1.00 0.00 C ATOM 1715 CE1 HIS A 106 -26.601 -0.846 4.863 1.00 0.00 C ATOM 1716 NE2 HIS A 106 -25.542 -1.380 4.228 1.00 0.00 N ATOM 0 H HIS A 106 -22.061 -1.757 8.071 1.00 0.00 H new ATOM 0 HA HIS A 106 -24.565 -0.275 8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -24.279 -3.147 7.626 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -25.723 -2.495 8.374 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -23.813 -2.509 5.038 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -27.418 -0.334 4.377 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -25.360 -1.355 3.225 1.00 0.00 H new ATOM 1724 N ARG A 107 -24.145 -0.876 10.917 1.00 0.00 N ATOM 1725 CA ARG A 107 -23.989 -1.191 12.328 1.00 0.00 C ATOM 1726 C ARG A 107 -25.191 -2.062 12.660 1.00 0.00 C ATOM 1727 O ARG A 107 -26.324 -1.622 12.434 1.00 0.00 O ATOM 1728 CB ARG A 107 -23.982 0.094 13.177 1.00 0.00 C ATOM 1729 CG ARG A 107 -22.814 0.108 14.167 1.00 0.00 C ATOM 1730 CD ARG A 107 -21.518 0.575 13.494 1.00 0.00 C ATOM 1731 NE ARG A 107 -20.372 0.298 14.366 1.00 0.00 N ATOM 1732 CZ ARG A 107 -19.636 1.172 15.056 1.00 0.00 C ATOM 1733 NH1 ARG A 107 -19.691 2.474 14.791 1.00 0.00 N ATOM 1734 NH2 ARG A 107 -18.870 0.722 16.040 1.00 0.00 N ATOM 0 H ARG A 107 -24.602 0.020 10.747 1.00 0.00 H new ATOM 0 HA ARG A 107 -23.047 -1.696 12.540 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -23.916 0.963 12.522 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -24.923 0.176 13.722 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -23.050 0.767 15.002 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -22.672 -0.891 14.580 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -21.390 0.065 12.539 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -21.574 1.642 13.281 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.105 -0.682 14.456 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.302 2.818 14.051 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.122 3.128 15.328 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -18.851 -0.275 16.257 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.299 1.372 16.580 1.00 0.00 H new ATOM 1748 N ILE A 108 -24.978 -3.289 13.121 1.00 0.00 N ATOM 1749 CA ILE A 108 -26.057 -4.200 13.470 1.00 0.00 C ATOM 1750 C ILE A 108 -25.937 -4.460 14.966 1.00 0.00 C ATOM 1751 O ILE A 108 -24.831 -4.519 15.508 1.00 0.00 O ATOM 1752 CB ILE A 108 -25.997 -5.512 12.642 1.00 0.00 C ATOM 1753 CG1 ILE A 108 -25.610 -5.333 11.157 1.00 0.00 C ATOM 1754 CG2 ILE A 108 -27.326 -6.279 12.736 1.00 0.00 C ATOM 1755 CD1 ILE A 108 -26.595 -4.520 10.308 1.00 0.00 C ATOM 0 H ILE A 108 -24.047 -3.680 13.263 1.00 0.00 H new ATOM 0 HA ILE A 108 -27.026 -3.761 13.234 1.00 0.00 H new ATOM 0 HB ILE A 108 -25.188 -6.084 13.096 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.634 -4.850 11.110 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.499 -6.320 10.708 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -27.260 -7.194 12.148 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -27.528 -6.530 13.777 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -28.133 -5.657 12.349 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -26.227 -4.456 9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -27.569 -5.009 10.313 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.690 -3.516 10.722 1.00 0.00 H new ATOM 1767 N ARG A 109 -27.073 -4.719 15.614 1.00 0.00 N ATOM 1768 CA ARG A 109 -27.217 -5.004 17.043 1.00 0.00 C ATOM 1769 C ARG A 109 -26.289 -6.097 17.585 1.00 0.00 C ATOM 1770 O ARG A 109 -26.201 -6.246 18.802 1.00 0.00 O ATOM 1771 CB ARG A 109 -28.694 -5.329 17.345 1.00 0.00 C ATOM 1772 CG ARG A 109 -29.216 -6.573 16.595 1.00 0.00 C ATOM 1773 CD ARG A 109 -30.707 -6.818 16.852 1.00 0.00 C ATOM 1774 NE ARG A 109 -30.949 -7.263 18.232 1.00 0.00 N ATOM 1775 CZ ARG A 109 -32.118 -7.328 18.873 1.00 0.00 C ATOM 1776 NH1 ARG A 109 -33.255 -7.003 18.258 1.00 0.00 N ATOM 1777 NH2 ARG A 109 -32.131 -7.731 20.134 1.00 0.00 N ATOM 0 H ARG A 109 -27.970 -4.737 15.128 1.00 0.00 H new ATOM 0 HA ARG A 109 -26.903 -4.103 17.570 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -28.812 -5.485 18.417 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -29.309 -4.469 17.079 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -29.049 -6.447 15.525 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -28.646 -7.449 16.906 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -31.266 -5.902 16.661 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -31.079 -7.570 16.156 1.00 0.00 H new ATOM 0 HE ARG A 109 -30.128 -7.556 18.761 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -33.239 -6.700 17.284 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -34.141 -7.058 18.761 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -31.258 -7.985 20.597 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -33.014 -7.788 20.642 1.00 0.00 H new ATOM 1791 N THR A 110 -25.622 -6.871 16.729 1.00 0.00 N ATOM 1792 CA THR A 110 -24.719 -7.928 17.137 1.00 0.00 C ATOM 1793 C THR A 110 -23.268 -7.648 16.722 1.00 0.00 C ATOM 1794 O THR A 110 -22.379 -8.163 17.392 1.00 0.00 O ATOM 1795 CB THR A 110 -25.295 -9.267 16.629 1.00 0.00 C ATOM 1796 OG1 THR A 110 -25.292 -10.240 17.650 1.00 0.00 O ATOM 1797 CG2 THR A 110 -24.630 -9.837 15.372 1.00 0.00 C ATOM 0 H THR A 110 -25.701 -6.773 15.717 1.00 0.00 H new ATOM 0 HA THR A 110 -24.656 -7.983 18.224 1.00 0.00 H new ATOM 0 HB THR A 110 -26.316 -9.022 16.336 1.00 0.00 H new ATOM 0 HG1 THR A 110 -25.663 -11.078 17.304 1.00 0.00 H new ATOM 0 HG21 THR A 110 -25.110 -10.778 15.101 1.00 0.00 H new ATOM 0 HG22 THR A 110 -24.734 -9.127 14.551 1.00 0.00 H new ATOM 0 HG23 THR A 110 -23.572 -10.013 15.568 1.00 0.00 H new ATOM 1805 N ASP A 111 -23.003 -6.906 15.639 1.00 0.00 N ATOM 1806 CA ASP A 111 -21.653 -6.586 15.155 1.00 0.00 C ATOM 1807 C ASP A 111 -21.803 -5.624 13.969 1.00 0.00 C ATOM 1808 O ASP A 111 -22.918 -5.349 13.522 1.00 0.00 O ATOM 1809 CB ASP A 111 -20.863 -7.849 14.717 1.00 0.00 C ATOM 1810 CG ASP A 111 -19.343 -7.707 14.911 1.00 0.00 C ATOM 1811 OD1 ASP A 111 -18.810 -6.576 14.778 1.00 0.00 O ATOM 1812 OD2 ASP A 111 -18.673 -8.726 15.198 1.00 0.00 O ATOM 0 H ASP A 111 -23.739 -6.501 15.061 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.085 -6.133 15.967 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.217 -8.708 15.287 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -21.072 -8.055 13.667 1.00 0.00 H new ATOM 1817 N THR A 112 -20.710 -5.068 13.469 1.00 0.00 N ATOM 1818 CA THR A 112 -20.683 -4.156 12.338 1.00 0.00 C ATOM 1819 C THR A 112 -20.378 -4.995 11.099 1.00 0.00 C ATOM 1820 O THR A 112 -19.677 -6.003 11.181 1.00 0.00 O ATOM 1821 CB THR A 112 -19.622 -3.075 12.589 1.00 0.00 C ATOM 1822 OG1 THR A 112 -19.879 -2.467 13.838 1.00 0.00 O ATOM 1823 CG2 THR A 112 -19.614 -1.992 11.505 1.00 0.00 C ATOM 0 H THR A 112 -19.783 -5.247 13.855 1.00 0.00 H new ATOM 0 HA THR A 112 -21.633 -3.641 12.196 1.00 0.00 H new ATOM 0 HB THR A 112 -18.647 -3.562 12.574 1.00 0.00 H new ATOM 0 HG1 THR A 112 -19.031 -2.220 14.262 1.00 0.00 H new ATOM 0 HG21 THR A 112 -18.845 -1.254 11.733 1.00 0.00 H new ATOM 0 HG22 THR A 112 -19.404 -2.447 10.537 1.00 0.00 H new ATOM 0 HG23 THR A 112 -20.588 -1.503 11.472 1.00 0.00 H new ATOM 1831 N TYR A 113 -20.889 -4.585 9.942 1.00 0.00 N ATOM 1832 CA TYR A 113 -20.692 -5.267 8.674 1.00 0.00 C ATOM 1833 C TYR A 113 -20.419 -4.211 7.604 1.00 0.00 C ATOM 1834 O TYR A 113 -20.833 -3.062 7.752 1.00 0.00 O ATOM 1835 CB TYR A 113 -21.961 -6.065 8.307 1.00 0.00 C ATOM 1836 CG TYR A 113 -22.311 -7.272 9.166 1.00 0.00 C ATOM 1837 CD1 TYR A 113 -22.745 -7.111 10.497 1.00 0.00 C ATOM 1838 CD2 TYR A 113 -22.249 -8.567 8.616 1.00 0.00 C ATOM 1839 CE1 TYR A 113 -23.072 -8.223 11.288 1.00 0.00 C ATOM 1840 CE2 TYR A 113 -22.575 -9.689 9.397 1.00 0.00 C ATOM 1841 CZ TYR A 113 -22.976 -9.523 10.743 1.00 0.00 C ATOM 1842 OH TYR A 113 -23.287 -10.606 11.503 1.00 0.00 O ATOM 0 H TYR A 113 -21.466 -3.748 9.862 1.00 0.00 H new ATOM 0 HA TYR A 113 -19.853 -5.960 8.745 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -22.808 -5.379 8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -21.857 -6.405 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -22.827 -6.118 10.914 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -21.949 -8.699 7.587 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -23.396 -8.086 12.309 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -22.519 -10.679 8.969 1.00 0.00 H new ATOM 0 HH TYR A 113 -23.168 -11.422 10.974 1.00 0.00 H new ATOM 1852 N VAL A 114 -19.772 -4.592 6.510 1.00 0.00 N ATOM 1853 CA VAL A 114 -19.452 -3.732 5.371 1.00 0.00 C ATOM 1854 C VAL A 114 -20.217 -4.302 4.172 1.00 0.00 C ATOM 1855 O VAL A 114 -20.639 -5.465 4.179 1.00 0.00 O ATOM 1856 CB VAL A 114 -17.913 -3.635 5.186 1.00 0.00 C ATOM 1857 CG1 VAL A 114 -17.435 -3.292 3.764 1.00 0.00 C ATOM 1858 CG2 VAL A 114 -17.350 -2.552 6.119 1.00 0.00 C ATOM 0 H VAL A 114 -19.441 -5.548 6.384 1.00 0.00 H new ATOM 0 HA VAL A 114 -19.766 -2.698 5.513 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.550 -4.637 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.346 -3.249 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.779 -4.058 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.841 -2.325 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.270 -2.485 5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -17.805 -1.591 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -17.575 -2.810 7.154 1.00 0.00 H new ATOM 1868 N LYS A 115 -20.442 -3.463 3.166 1.00 0.00 N ATOM 1869 CA LYS A 115 -21.118 -3.696 1.900 1.00 0.00 C ATOM 1870 C LYS A 115 -20.201 -3.122 0.828 1.00 0.00 C ATOM 1871 O LYS A 115 -19.500 -2.142 1.095 1.00 0.00 O ATOM 1872 CB LYS A 115 -22.465 -2.942 1.877 1.00 0.00 C ATOM 1873 CG LYS A 115 -23.676 -3.858 2.096 1.00 0.00 C ATOM 1874 CD LYS A 115 -24.004 -4.750 0.887 1.00 0.00 C ATOM 1875 CE LYS A 115 -24.579 -3.975 -0.298 1.00 0.00 C ATOM 1876 NZ LYS A 115 -26.035 -3.744 -0.168 1.00 0.00 N ATOM 0 H LYS A 115 -20.118 -2.498 3.228 1.00 0.00 H new ATOM 0 HA LYS A 115 -21.319 -4.756 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -22.456 -2.172 2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.572 -2.432 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -23.489 -4.491 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -24.546 -3.245 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -23.098 -5.267 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.717 -5.516 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -24.068 -3.016 -0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -24.382 -4.525 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -26.378 -3.215 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -26.528 -4.658 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -26.224 -3.196 0.696 1.00 0.00 H new ATOM 1890 N LEU A 116 -20.183 -3.743 -0.346 1.00 0.00 N ATOM 1891 CA LEU A 116 -19.385 -3.293 -1.481 1.00 0.00 C ATOM 1892 C LEU A 116 -20.242 -3.420 -2.722 1.00 0.00 C ATOM 1893 O LEU A 116 -21.272 -4.100 -2.691 1.00 0.00 O ATOM 1894 CB LEU A 116 -18.069 -4.074 -1.598 1.00 0.00 C ATOM 1895 CG LEU A 116 -16.974 -3.472 -2.504 1.00 0.00 C ATOM 1896 CD1 LEU A 116 -16.928 -3.964 -3.957 1.00 0.00 C ATOM 1897 CD2 LEU A 116 -16.852 -1.956 -2.430 1.00 0.00 C ATOM 0 H LEU A 116 -20.729 -4.583 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 116 -19.090 -2.253 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -17.654 -4.190 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -18.300 -5.074 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 116 -16.083 -3.896 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -16.116 -3.464 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -16.762 -5.041 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -17.874 -3.736 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.059 -1.622 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.796 -1.500 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.614 -1.660 -1.408 1.00 0.00 H new ATOM 1909 N ASP A 117 -19.824 -2.772 -3.802 1.00 0.00 N ATOM 1910 CA ASP A 117 -20.539 -2.780 -5.067 1.00 0.00 C ATOM 1911 C ASP A 117 -19.663 -3.295 -6.200 1.00 0.00 C ATOM 1912 O ASP A 117 -18.735 -2.647 -6.685 1.00 0.00 O ATOM 1913 CB ASP A 117 -21.123 -1.424 -5.410 1.00 0.00 C ATOM 1914 CG ASP A 117 -22.289 -1.658 -6.354 1.00 0.00 C ATOM 1915 OD1 ASP A 117 -22.047 -2.157 -7.476 1.00 0.00 O ATOM 1916 OD2 ASP A 117 -23.444 -1.506 -5.906 1.00 0.00 O ATOM 0 H ASP A 117 -18.967 -2.219 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 117 -21.375 -3.468 -4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -21.456 -0.910 -4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -20.371 -0.789 -5.879 1.00 0.00 H new ATOM 1921 N LYS A 118 -19.924 -4.530 -6.572 1.00 0.00 N ATOM 1922 CA LYS A 118 -19.213 -5.240 -7.628 1.00 0.00 C ATOM 1923 C LYS A 118 -19.658 -4.849 -9.033 1.00 0.00 C ATOM 1924 O LYS A 118 -19.028 -5.314 -9.988 1.00 0.00 O ATOM 1925 CB LYS A 118 -19.457 -6.732 -7.438 1.00 0.00 C ATOM 1926 CG LYS A 118 -18.803 -7.255 -6.159 1.00 0.00 C ATOM 1927 CD LYS A 118 -19.023 -8.759 -6.074 1.00 0.00 C ATOM 1928 CE LYS A 118 -20.455 -9.212 -5.788 1.00 0.00 C ATOM 1929 NZ LYS A 118 -20.757 -9.256 -4.348 1.00 0.00 N ATOM 0 H LYS A 118 -20.658 -5.090 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 118 -18.159 -4.976 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -20.529 -6.923 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -19.064 -7.277 -8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -17.737 -7.029 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -19.232 -6.761 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -18.702 -9.207 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -18.374 -9.158 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -21.152 -8.534 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -20.613 -10.201 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -21.739 -9.569 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -20.111 -9.922 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -20.634 -8.308 -3.938 1.00 0.00 H new ATOM 1943 N ALA A 119 -20.749 -4.099 -9.182 1.00 0.00 N ATOM 1944 CA ALA A 119 -21.247 -3.682 -10.485 1.00 0.00 C ATOM 1945 C ALA A 119 -20.481 -2.460 -10.979 1.00 0.00 C ATOM 1946 O ALA A 119 -20.364 -2.272 -12.192 1.00 0.00 O ATOM 1947 CB ALA A 119 -22.747 -3.378 -10.415 1.00 0.00 C ATOM 0 H ALA A 119 -21.311 -3.765 -8.399 1.00 0.00 H new ATOM 0 HA ALA A 119 -21.093 -4.498 -11.191 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -23.102 -3.068 -11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -23.285 -4.272 -10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -22.923 -2.577 -9.697 1.00 0.00 H new ATOM 1953 N VAL A 120 -19.957 -1.647 -10.058 1.00 0.00 N ATOM 1954 CA VAL A 120 -19.198 -0.449 -10.370 1.00 0.00 C ATOM 1955 C VAL A 120 -17.962 -0.837 -11.185 1.00 0.00 C ATOM 1956 O VAL A 120 -17.151 -1.669 -10.765 1.00 0.00 O ATOM 1957 CB VAL A 120 -18.844 0.312 -9.079 1.00 0.00 C ATOM 1958 CG1 VAL A 120 -18.064 1.588 -9.397 1.00 0.00 C ATOM 1959 CG2 VAL A 120 -20.093 0.748 -8.301 1.00 0.00 C ATOM 0 H VAL A 120 -20.055 -1.813 -9.056 1.00 0.00 H new ATOM 0 HA VAL A 120 -19.797 0.231 -10.976 1.00 0.00 H new ATOM 0 HB VAL A 120 -18.252 -0.381 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -17.825 2.109 -8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -17.141 1.330 -9.917 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -18.669 2.236 -10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -19.792 1.281 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -20.699 1.405 -8.925 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -20.676 -0.131 -8.026 1.00 0.00 H new ATOM 1969 N ASP A 121 -17.835 -0.234 -12.367 1.00 0.00 N ATOM 1970 CA ASP A 121 -16.728 -0.466 -13.283 1.00 0.00 C ATOM 1971 C ASP A 121 -15.431 0.002 -12.630 1.00 0.00 C ATOM 1972 O ASP A 121 -15.254 1.193 -12.342 1.00 0.00 O ATOM 1973 CB ASP A 121 -16.961 0.235 -14.627 1.00 0.00 C ATOM 1974 CG ASP A 121 -17.385 -0.770 -15.691 1.00 0.00 C ATOM 1975 OD1 ASP A 121 -16.535 -1.596 -16.093 1.00 0.00 O ATOM 1976 OD2 ASP A 121 -18.533 -0.693 -16.175 1.00 0.00 O ATOM 0 H ASP A 121 -18.514 0.442 -12.718 1.00 0.00 H new ATOM 0 HA ASP A 121 -16.656 -1.533 -13.492 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -17.729 1.000 -14.516 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -16.049 0.742 -14.941 1.00 0.00 H new ATOM 1981 N LEU A 122 -14.525 -0.948 -12.384 1.00 0.00 N ATOM 1982 CA LEU A 122 -13.223 -0.725 -11.764 1.00 0.00 C ATOM 1983 C LEU A 122 -12.360 0.211 -12.618 1.00 0.00 C ATOM 1984 O LEU A 122 -11.457 0.861 -12.104 1.00 0.00 O ATOM 1985 CB LEU A 122 -12.530 -2.076 -11.511 1.00 0.00 C ATOM 1986 CG LEU A 122 -11.697 -2.183 -10.219 1.00 0.00 C ATOM 1987 CD1 LEU A 122 -10.519 -1.234 -10.147 1.00 0.00 C ATOM 1988 CD2 LEU A 122 -12.522 -2.044 -8.936 1.00 0.00 C ATOM 0 H LEU A 122 -14.687 -1.927 -12.621 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.365 -0.231 -10.803 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -13.293 -2.854 -11.492 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.878 -2.290 -12.358 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.308 -3.199 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -9.991 -1.380 -9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -9.841 -1.432 -10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -10.876 -0.206 -10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.866 -2.130 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -13.014 -1.071 -8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -13.275 -2.831 -8.900 1.00 0.00 H new ATOM 2000 N ALA A 123 -12.622 0.307 -13.918 1.00 0.00 N ATOM 2001 CA ALA A 123 -11.900 1.182 -14.837 1.00 0.00 C ATOM 2002 C ALA A 123 -11.993 2.631 -14.336 1.00 0.00 C ATOM 2003 O ALA A 123 -10.972 3.246 -14.019 1.00 0.00 O ATOM 2004 CB ALA A 123 -12.467 1.017 -16.250 1.00 0.00 C ATOM 0 H ALA A 123 -13.358 -0.233 -14.372 1.00 0.00 H new ATOM 0 HA ALA A 123 -10.845 0.912 -14.875 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -11.928 1.670 -16.937 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.353 -0.019 -16.569 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -13.524 1.282 -16.251 1.00 0.00 H new ATOM 2010 N GLY A 124 -13.217 3.156 -14.202 1.00 0.00 N ATOM 2011 CA GLY A 124 -13.441 4.513 -13.724 1.00 0.00 C ATOM 2012 C GLY A 124 -13.045 4.649 -12.257 1.00 0.00 C ATOM 2013 O GLY A 124 -12.693 5.746 -11.829 1.00 0.00 O ATOM 0 H GLY A 124 -14.074 2.648 -14.423 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -12.864 5.214 -14.327 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -14.491 4.777 -13.847 1.00 0.00 H new ATOM 2017 N LEU A 125 -13.107 3.561 -11.470 1.00 0.00 N ATOM 2018 CA LEU A 125 -12.712 3.603 -10.064 1.00 0.00 C ATOM 2019 C LEU A 125 -11.227 3.922 -10.038 1.00 0.00 C ATOM 2020 O LEU A 125 -10.843 4.922 -9.440 1.00 0.00 O ATOM 2021 CB LEU A 125 -13.016 2.305 -9.300 1.00 0.00 C ATOM 2022 CG LEU A 125 -14.510 2.118 -8.989 1.00 0.00 C ATOM 2023 CD1 LEU A 125 -14.764 0.771 -8.311 1.00 0.00 C ATOM 2024 CD2 LEU A 125 -15.018 3.235 -8.076 1.00 0.00 C ATOM 0 H LEU A 125 -13.427 2.647 -11.789 1.00 0.00 H new ATOM 0 HA LEU A 125 -13.297 4.365 -9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.665 1.456 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -12.454 2.301 -8.366 1.00 0.00 H new ATOM 0 HG LEU A 125 -15.046 2.151 -9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -15.828 0.664 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -14.441 -0.035 -8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.204 0.722 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -16.077 3.082 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -14.460 3.222 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -14.879 4.198 -8.567 1.00 0.00 H new ATOM 2036 N THR A 126 -10.408 3.131 -10.738 1.00 0.00 N ATOM 2037 CA THR A 126 -8.970 3.353 -10.815 1.00 0.00 C ATOM 2038 C THR A 126 -8.672 4.781 -11.277 1.00 0.00 C ATOM 2039 O THR A 126 -7.743 5.376 -10.744 1.00 0.00 O ATOM 2040 CB THR A 126 -8.347 2.268 -11.694 1.00 0.00 C ATOM 2041 OG1 THR A 126 -8.469 1.051 -10.979 1.00 0.00 O ATOM 2042 CG2 THR A 126 -6.870 2.495 -12.015 1.00 0.00 C ATOM 0 H THR A 126 -10.729 2.319 -11.266 1.00 0.00 H new ATOM 0 HA THR A 126 -8.510 3.268 -9.830 1.00 0.00 H new ATOM 0 HB THR A 126 -8.868 2.269 -12.652 1.00 0.00 H new ATOM 0 HG1 THR A 126 -8.083 0.321 -11.507 1.00 0.00 H new ATOM 0 HG21 THR A 126 -6.505 1.682 -12.642 1.00 0.00 H new ATOM 0 HG22 THR A 126 -6.754 3.441 -12.544 1.00 0.00 H new ATOM 0 HG23 THR A 126 -6.297 2.524 -11.088 1.00 0.00 H new ATOM 2050 N ALA A 127 -9.450 5.364 -12.191 1.00 0.00 N ATOM 2051 CA ALA A 127 -9.211 6.735 -12.627 1.00 0.00 C ATOM 2052 C ALA A 127 -9.387 7.715 -11.447 1.00 0.00 C ATOM 2053 O ALA A 127 -8.432 8.391 -11.025 1.00 0.00 O ATOM 2054 CB ALA A 127 -10.145 7.073 -13.791 1.00 0.00 C ATOM 0 H ALA A 127 -10.245 4.909 -12.639 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.183 6.833 -12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.965 8.098 -14.116 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.955 6.391 -14.620 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -11.181 6.971 -13.468 1.00 0.00 H new ATOM 2060 N ARG A 128 -10.604 7.781 -10.877 1.00 0.00 N ATOM 2061 CA ARG A 128 -10.889 8.693 -9.758 1.00 0.00 C ATOM 2062 C ARG A 128 -9.964 8.460 -8.571 1.00 0.00 C ATOM 2063 O ARG A 128 -9.687 9.408 -7.840 1.00 0.00 O ATOM 2064 CB ARG A 128 -12.377 8.694 -9.359 1.00 0.00 C ATOM 2065 CG ARG A 128 -12.869 7.386 -8.727 1.00 0.00 C ATOM 2066 CD ARG A 128 -14.361 7.429 -8.394 1.00 0.00 C ATOM 2067 NE ARG A 128 -14.657 8.159 -7.150 1.00 0.00 N ATOM 2068 CZ ARG A 128 -15.863 8.208 -6.572 1.00 0.00 C ATOM 2069 NH1 ARG A 128 -16.919 7.673 -7.176 1.00 0.00 N ATOM 2070 NH2 ARG A 128 -16.012 8.772 -5.381 1.00 0.00 N ATOM 0 H ARG A 128 -11.401 7.216 -11.172 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.674 9.698 -10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -12.551 9.509 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -12.977 8.903 -10.245 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -12.675 6.559 -9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -12.301 7.188 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -14.897 7.898 -9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -14.737 6.410 -8.308 1.00 0.00 H new ATOM 0 HE ARG A 128 -13.892 8.661 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -16.813 7.222 -8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -17.836 7.713 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -15.205 9.171 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -16.933 8.807 -4.945 1.00 0.00 H new ATOM 2084 N LEU A 129 -9.471 7.233 -8.383 1.00 0.00 N ATOM 2085 CA LEU A 129 -8.562 6.850 -7.314 1.00 0.00 C ATOM 2086 C LEU A 129 -7.146 7.332 -7.647 1.00 0.00 C ATOM 2087 O LEU A 129 -6.498 7.943 -6.784 1.00 0.00 O ATOM 2088 CB LEU A 129 -8.654 5.320 -7.108 1.00 0.00 C ATOM 2089 CG LEU A 129 -7.415 4.631 -6.506 1.00 0.00 C ATOM 2090 CD1 LEU A 129 -7.856 3.410 -5.693 1.00 0.00 C ATOM 2091 CD2 LEU A 129 -6.412 4.192 -7.596 1.00 0.00 C ATOM 0 H LEU A 129 -9.707 6.454 -8.998 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.838 7.323 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -9.507 5.114 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.866 4.858 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.911 5.352 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -6.980 2.921 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -8.521 3.728 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -8.381 2.710 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -5.553 3.711 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.896 3.490 -8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.078 5.065 -8.156 1.00 0.00 H new ATOM 2103 N ALA A 130 -6.652 7.109 -8.852 1.00 0.00 N ATOM 2104 CA ALA A 130 -5.315 7.499 -9.295 1.00 0.00 C ATOM 2105 C ALA A 130 -5.153 9.007 -9.485 1.00 0.00 C ATOM 2106 O ALA A 130 -4.029 9.478 -9.605 1.00 0.00 O ATOM 2107 CB ALA A 130 -4.947 6.749 -10.571 1.00 0.00 C ATOM 0 H ALA A 130 -7.187 6.634 -9.579 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.626 7.222 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -3.949 7.047 -10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -4.962 5.676 -10.379 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.667 6.988 -11.354 1.00 0.00 H new ATOM 2113 N HIS A 131 -6.243 9.779 -9.448 1.00 0.00 N ATOM 2114 CA HIS A 131 -6.213 11.232 -9.617 1.00 0.00 C ATOM 2115 C HIS A 131 -5.148 11.999 -8.787 1.00 0.00 C ATOM 2116 O HIS A 131 -4.720 13.057 -9.245 1.00 0.00 O ATOM 2117 CB HIS A 131 -7.617 11.797 -9.336 1.00 0.00 C ATOM 2118 CG HIS A 131 -7.946 12.071 -7.881 1.00 0.00 C ATOM 2119 ND1 HIS A 131 -8.593 13.192 -7.417 1.00 0.00 N ATOM 2120 CD2 HIS A 131 -7.682 11.278 -6.793 1.00 0.00 C ATOM 2121 CE1 HIS A 131 -8.700 13.085 -6.082 1.00 0.00 C ATOM 2122 NE2 HIS A 131 -8.140 11.945 -5.655 1.00 0.00 N ATOM 0 H HIS A 131 -7.181 9.407 -9.298 1.00 0.00 H new ATOM 0 HA HIS A 131 -5.907 11.396 -10.650 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -7.731 12.726 -9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.354 11.096 -9.729 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -7.205 10.309 -6.813 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -9.172 13.816 -5.442 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -8.063 11.627 -4.689 1.00 0.00 H new ATOM 2130 N HIS A 132 -4.771 11.521 -7.592 1.00 0.00 N ATOM 2131 CA HIS A 132 -3.800 12.077 -6.626 1.00 0.00 C ATOM 2132 C HIS A 132 -3.952 13.571 -6.262 1.00 0.00 C ATOM 2133 O HIS A 132 -3.120 14.115 -5.542 1.00 0.00 O ATOM 2134 CB HIS A 132 -2.364 11.751 -7.065 1.00 0.00 C ATOM 2135 CG HIS A 132 -2.090 10.284 -7.283 1.00 0.00 C ATOM 2136 ND1 HIS A 132 -1.152 9.771 -8.145 1.00 0.00 N ATOM 2137 CD2 HIS A 132 -2.704 9.228 -6.661 1.00 0.00 C ATOM 2138 CE1 HIS A 132 -1.208 8.435 -8.049 1.00 0.00 C ATOM 2139 NE2 HIS A 132 -2.133 8.048 -7.151 1.00 0.00 N ATOM 0 H HIS A 132 -5.174 10.653 -7.240 1.00 0.00 H new ATOM 0 HA HIS A 132 -4.039 11.573 -5.689 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -2.150 12.288 -7.989 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -1.673 12.128 -6.310 1.00 0.00 H new ATOM 0 HD1 HIS A 132 -0.528 10.308 -8.747 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -3.490 9.295 -5.923 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -0.590 7.757 -8.619 1.00 0.00 H new ATOM 2147 N VAL A 133 -5.035 14.238 -6.663 1.00 0.00 N ATOM 2148 CA VAL A 133 -5.264 15.656 -6.404 1.00 0.00 C ATOM 2149 C VAL A 133 -5.257 16.005 -4.911 1.00 0.00 C ATOM 2150 O VAL A 133 -4.498 16.868 -4.491 1.00 0.00 O ATOM 2151 CB VAL A 133 -6.572 16.118 -7.079 1.00 0.00 C ATOM 2152 CG1 VAL A 133 -6.708 17.642 -7.036 1.00 0.00 C ATOM 2153 CG2 VAL A 133 -6.675 15.692 -8.549 1.00 0.00 C ATOM 0 H VAL A 133 -5.791 13.797 -7.187 1.00 0.00 H new ATOM 0 HA VAL A 133 -4.426 16.199 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 133 -7.368 15.636 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -7.639 17.938 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.715 17.978 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.867 18.097 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.617 16.048 -8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -5.845 16.120 -9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -6.636 14.605 -8.616 1.00 0.00 H new ATOM 2163 N HIS A 134 -6.133 15.383 -4.121 1.00 0.00 N ATOM 2164 CA HIS A 134 -6.285 15.608 -2.682 1.00 0.00 C ATOM 2165 C HIS A 134 -5.889 14.370 -1.859 1.00 0.00 C ATOM 2166 O HIS A 134 -6.458 14.141 -0.790 1.00 0.00 O ATOM 2167 CB HIS A 134 -7.697 16.157 -2.397 1.00 0.00 C ATOM 2168 CG HIS A 134 -8.822 15.190 -2.679 1.00 0.00 C ATOM 2169 ND1 HIS A 134 -8.967 13.955 -2.094 1.00 0.00 N ATOM 2170 CD2 HIS A 134 -9.891 15.387 -3.510 1.00 0.00 C ATOM 2171 CE1 HIS A 134 -10.081 13.395 -2.581 1.00 0.00 C ATOM 2172 NE2 HIS A 134 -10.677 14.225 -3.460 1.00 0.00 N ATOM 0 H HIS A 134 -6.781 14.682 -4.479 1.00 0.00 H new ATOM 0 HA HIS A 134 -5.582 16.371 -2.349 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -7.750 16.459 -1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -7.850 17.055 -2.996 1.00 0.00 H new ATOM 0 HD1 HIS A 134 -8.337 13.538 -1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -10.093 16.272 -4.095 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -10.450 12.417 -2.308 1.00 0.00 H new ATOM 2180 N ALA A 135 -5.084 13.474 -2.438 1.00 0.00 N ATOM 2181 CA ALA A 135 -4.635 12.243 -1.805 1.00 0.00 C ATOM 2182 C ALA A 135 -3.105 12.185 -1.724 1.00 0.00 C ATOM 2183 O ALA A 135 -2.413 12.998 -2.347 1.00 0.00 O ATOM 2184 CB ALA A 135 -5.232 11.081 -2.599 1.00 0.00 C ATOM 0 H ALA A 135 -4.721 13.593 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 135 -4.978 12.188 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -4.918 10.137 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -6.320 11.147 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -4.885 11.129 -3.631 1.00 0.00 H new ATOM 2190 N GLU A 136 -2.574 11.194 -1.002 1.00 0.00 N ATOM 2191 CA GLU A 136 -1.134 11.025 -0.810 1.00 0.00 C ATOM 2192 C GLU A 136 -0.622 9.592 -0.906 1.00 0.00 C ATOM 2193 O GLU A 136 0.552 9.380 -1.233 1.00 0.00 O ATOM 2194 CB GLU A 136 -0.753 11.613 0.556 1.00 0.00 C ATOM 2195 CG GLU A 136 -1.177 10.731 1.745 1.00 0.00 C ATOM 2196 CD GLU A 136 -1.013 11.418 3.097 1.00 0.00 C ATOM 2197 OE1 GLU A 136 -1.512 12.559 3.266 1.00 0.00 O ATOM 2198 OE2 GLU A 136 -0.493 10.758 4.028 1.00 0.00 O ATOM 0 H GLU A 136 -3.136 10.484 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 136 -0.657 11.550 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 136 0.326 11.761 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.213 12.596 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.220 10.439 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -0.586 9.815 1.737 1.00 0.00 H new ATOM 2205 N GLY A 137 -1.479 8.614 -0.637 1.00 0.00 N ATOM 2206 CA GLY A 137 -1.146 7.205 -0.655 1.00 0.00 C ATOM 2207 C GLY A 137 -0.995 6.745 0.788 1.00 0.00 C ATOM 2208 O GLY A 137 0.125 6.624 1.299 1.00 0.00 O ATOM 0 H GLY A 137 -2.454 8.791 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -1.926 6.634 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -0.222 7.038 -1.208 1.00 0.00 H new ATOM 2212 N LEU A 138 -2.138 6.591 1.459 1.00 0.00 N ATOM 2213 CA LEU A 138 -2.272 6.141 2.846 1.00 0.00 C ATOM 2214 C LEU A 138 -1.633 4.771 2.954 1.00 0.00 C ATOM 2215 O LEU A 138 -0.652 4.620 3.711 1.00 0.00 O ATOM 2216 CB LEU A 138 -3.766 6.115 3.248 1.00 0.00 C ATOM 2217 CG LEU A 138 -4.146 7.166 4.299 1.00 0.00 C ATOM 2218 CD1 LEU A 138 -3.837 8.596 3.844 1.00 0.00 C ATOM 2219 CD2 LEU A 138 -5.647 7.049 4.580 1.00 0.00 C ATOM 0 H LEU A 138 -3.041 6.787 1.028 1.00 0.00 H new ATOM 0 HA LEU A 138 -1.769 6.823 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.374 6.270 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.011 5.125 3.633 1.00 0.00 H new ATOM 0 HG LEU A 138 -3.552 6.974 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.126 9.297 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.769 8.692 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.395 8.817 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -5.936 7.789 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.204 7.224 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -5.870 6.050 4.955 1.00 0.00 H new TER 2231 LEU A 138