USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1112 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 102 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 124 LYS NZ :NH3+ 179:sc= 1.07 (180deg=1.06) USER MOD Set 2.1: A 83 HIS : no HD1:sc= -0.782 K(o=-1.5,f=-2.1) USER MOD Set 2.2: A 86 THR OG1 : rot -160:sc= -0.704 USER MOD Set 3.1: A 57 MET CE :methyl 157:sc= -0.184 (180deg=-0.743) USER MOD Set 3.2: A 62 GLN :FLIP amide:sc= 0 F(o=-0.79,f=-0.18) USER MOD Set 4.1: A 15 HIS : +bothHN:sc= -0.807! C(o=-1!,f=-6.6!) USER MOD Set 4.2: A 18 GLN : amide:sc= -0.228 K(o=-1,f=-4.8) USER MOD Set 5.1: A 9 MET CE :methyl -164:sc= -3.09! (180deg=-3.44!) USER MOD Set 5.2: A 118 CYS SG : rot 33:sc= -0.0208 USER MOD Set 6.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 3 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.71 (180deg=1.5) USER MOD Single : A 5 THR OG1 : rot -165:sc= -2.08! USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= 0.702 (180deg=-0.428!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -2.27 K(o=-2.3,f=-4.3!) USER MOD Single : A 12 MET CE :methyl -176:sc= -1.45 (180deg=-1.49) USER MOD Single : A 22 ASN : amide:sc=-0.00244 X(o=-0.0024,f=-0.04) USER MOD Single : A 25 CYS SG : rot 54:sc= -2.07! USER MOD Single : A 43 TYR OH : rot -155:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 47 ASN : amide:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0439 F(o=-1.2,f=-0.044) USER MOD Single : A 51 SER OG : rot 7:sc= 0.261 USER MOD Single : A 54 HIS : no HE2:sc= 0.503 K(o=0.5,f=-6!) USER MOD Single : A 56 SER OG : rot -16:sc= 0.856 USER MOD Single : A 64 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -141:sc= -1.12 (180deg=-1.57) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 76 MET CE :methyl -162:sc= -0.162 (180deg=-0.73) USER MOD Single : A 79 ASN : amide:sc= 0.693 K(o=0.69,f=0.069) USER MOD Single : A 81 HIS : +bothHN:sc= 1.99 K(o=2,f=-10!) USER MOD Single : A 82 SER OG : rot 180:sc= -2.04 USER MOD Single : A 91 SER OG : rot 93:sc= 1.27 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 45:sc= 0.212 USER MOD Single : A 105 TYR OH : rot 58:sc= 2.28 USER MOD Single : A 109 SER OG : rot 79:sc= 0.00602 USER MOD Single : A 114 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.95) USER MOD Single : A 115 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0694) USER MOD Single : A 119 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.127) USER MOD Single : A 120 SER OG : rot 23:sc= -1.26 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -167:sc= -0.0838 (180deg=-0.408) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.198 -3.176 4.786 1.00 0.00 N ATOM 2 CA MET A 1 -12.770 -3.133 3.370 1.00 0.00 C ATOM 3 C MET A 1 -11.800 -1.977 3.150 1.00 0.00 C ATOM 4 O MET A 1 -11.771 -1.021 3.924 1.00 0.00 O ATOM 5 CB MET A 1 -13.981 -2.986 2.433 1.00 0.00 C ATOM 6 CG MET A 1 -14.646 -1.616 2.493 1.00 0.00 C ATOM 7 SD MET A 1 -16.006 -1.432 1.323 1.00 0.00 S ATOM 8 CE MET A 1 -16.472 0.272 1.633 1.00 0.00 C ATOM 0 H1 MET A 1 -13.981 -3.852 4.892 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.399 -3.475 5.381 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.515 -2.231 5.082 1.00 0.00 H new ATOM 0 HA MET A 1 -12.268 -4.072 3.138 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.661 -3.179 1.409 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.718 -3.748 2.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.019 -1.445 3.503 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.899 -0.848 2.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.305 0.545 0.985 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.771 0.384 2.675 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.624 0.924 1.427 1.00 0.00 H new ATOM 20 N ILE A 2 -10.983 -2.083 2.112 1.00 0.00 N ATOM 21 CA ILE A 2 -10.101 -0.994 1.721 1.00 0.00 C ATOM 22 C ILE A 2 -10.412 -0.572 0.289 1.00 0.00 C ATOM 23 O ILE A 2 -10.402 -1.389 -0.632 1.00 0.00 O ATOM 24 CB ILE A 2 -8.606 -1.370 1.867 1.00 0.00 C ATOM 25 CG1 ILE A 2 -7.717 -0.231 1.356 1.00 0.00 C ATOM 26 CG2 ILE A 2 -8.291 -2.679 1.147 1.00 0.00 C ATOM 27 CD1 ILE A 2 -6.236 -0.495 1.507 1.00 0.00 C ATOM 0 H ILE A 2 -10.913 -2.914 1.525 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.283 -0.157 2.395 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.395 -1.521 2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.939 -0.054 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.970 0.683 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.234 -2.916 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.894 -3.482 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.520 -2.575 0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.674 0.356 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.998 -0.642 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.967 -1.390 0.946 1.00 0.00 H new ATOM 39 N THR A 3 -10.720 0.698 0.117 1.00 0.00 N ATOM 40 CA THR A 3 -11.154 1.205 -1.168 1.00 0.00 C ATOM 41 C THR A 3 -10.112 2.134 -1.783 1.00 0.00 C ATOM 42 O THR A 3 -9.607 3.051 -1.128 1.00 0.00 O ATOM 43 CB THR A 3 -12.493 1.954 -1.029 1.00 0.00 C ATOM 44 OG1 THR A 3 -13.451 1.115 -0.366 1.00 0.00 O ATOM 45 CG2 THR A 3 -13.042 2.369 -2.389 1.00 0.00 C ATOM 0 H THR A 3 -10.677 1.400 0.855 1.00 0.00 H new ATOM 0 HA THR A 3 -11.285 0.348 -1.829 1.00 0.00 H new ATOM 0 HB THR A 3 -12.314 2.855 -0.442 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.301 1.595 -0.278 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.987 2.895 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.328 3.027 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.204 1.482 -3.002 1.00 0.00 H new ATOM 53 N LEU A 4 -9.780 1.874 -3.036 1.00 0.00 N ATOM 54 CA LEU A 4 -8.930 2.761 -3.801 1.00 0.00 C ATOM 55 C LEU A 4 -9.443 2.842 -5.225 1.00 0.00 C ATOM 56 O LEU A 4 -10.219 1.997 -5.665 1.00 0.00 O ATOM 57 CB LEU A 4 -7.459 2.324 -3.750 1.00 0.00 C ATOM 58 CG LEU A 4 -7.170 0.847 -4.048 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.070 0.600 -5.545 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.892 0.407 -3.351 1.00 0.00 C ATOM 0 H LEU A 4 -10.091 1.047 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.968 3.755 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.899 2.931 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.070 2.554 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.001 0.255 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.865 -0.455 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.011 0.874 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.263 1.204 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.700 -0.643 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.057 1.011 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.001 0.537 -2.274 1.00 0.00 H new ATOM 72 N THR A 5 -9.020 3.856 -5.943 1.00 0.00 N ATOM 73 CA THR A 5 -9.576 4.119 -7.255 1.00 0.00 C ATOM 74 C THR A 5 -8.758 3.446 -8.349 1.00 0.00 C ATOM 75 O THR A 5 -7.648 2.967 -8.104 1.00 0.00 O ATOM 76 CB THR A 5 -9.634 5.632 -7.524 1.00 0.00 C ATOM 77 OG1 THR A 5 -8.310 6.174 -7.580 1.00 0.00 O ATOM 78 CG2 THR A 5 -10.412 6.334 -6.426 1.00 0.00 C ATOM 0 H THR A 5 -8.297 4.511 -5.645 1.00 0.00 H new ATOM 0 HA THR A 5 -10.585 3.707 -7.269 1.00 0.00 H new ATOM 0 HB THR A 5 -10.134 5.791 -8.479 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.353 7.151 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.444 7.404 -6.630 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.428 5.940 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.923 6.162 -5.467 1.00 0.00 H new ATOM 86 N LYS A 6 -9.318 3.411 -9.553 1.00 0.00 N ATOM 87 CA LYS A 6 -8.598 2.933 -10.726 1.00 0.00 C ATOM 88 C LYS A 6 -7.309 3.739 -10.874 1.00 0.00 C ATOM 89 O LYS A 6 -6.250 3.198 -11.182 1.00 0.00 O ATOM 90 CB LYS A 6 -9.491 3.091 -11.964 1.00 0.00 C ATOM 91 CG LYS A 6 -9.242 2.071 -13.071 1.00 0.00 C ATOM 92 CD LYS A 6 -7.985 2.372 -13.873 1.00 0.00 C ATOM 93 CE LYS A 6 -7.875 1.456 -15.083 1.00 0.00 C ATOM 94 NZ LYS A 6 -6.670 1.750 -15.903 1.00 0.00 N ATOM 0 H LYS A 6 -10.275 3.710 -9.742 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.343 1.879 -10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.533 3.021 -11.653 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.347 4.091 -12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.159 1.077 -12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.101 2.052 -13.742 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.999 3.412 -14.200 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.107 2.249 -13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.841 0.419 -14.749 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.767 1.563 -15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.806 1.379 -16.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.522 2.779 -15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.838 1.298 -15.472 1.00 0.00 H new ATOM 108 N LYS A 7 -7.422 5.031 -10.590 1.00 0.00 N ATOM 109 CA LYS A 7 -6.313 5.960 -10.624 1.00 0.00 C ATOM 110 C LYS A 7 -5.226 5.562 -9.626 1.00 0.00 C ATOM 111 O LYS A 7 -4.044 5.563 -9.953 1.00 0.00 O ATOM 112 CB LYS A 7 -6.869 7.335 -10.274 1.00 0.00 C ATOM 113 CG LYS A 7 -5.911 8.478 -10.484 1.00 0.00 C ATOM 114 CD LYS A 7 -5.869 8.907 -11.939 1.00 0.00 C ATOM 115 CE LYS A 7 -5.302 10.308 -12.088 1.00 0.00 C ATOM 116 NZ LYS A 7 -5.621 10.888 -13.415 1.00 0.00 N ATOM 0 H LYS A 7 -8.306 5.465 -10.325 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.855 5.960 -11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.762 7.513 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.182 7.329 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.209 9.323 -9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.913 8.182 -10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.261 8.205 -12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.874 8.873 -12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.704 10.949 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.221 10.280 -11.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.218 11.845 -13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.216 10.289 -14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.653 10.938 -13.533 1.00 0.00 H new ATOM 130 N GLN A 8 -5.634 5.222 -8.407 1.00 0.00 N ATOM 131 CA GLN A 8 -4.693 4.822 -7.364 1.00 0.00 C ATOM 132 C GLN A 8 -4.012 3.510 -7.732 1.00 0.00 C ATOM 133 O GLN A 8 -2.843 3.296 -7.410 1.00 0.00 O ATOM 134 CB GLN A 8 -5.409 4.690 -6.016 1.00 0.00 C ATOM 135 CG GLN A 8 -6.032 5.989 -5.526 1.00 0.00 C ATOM 136 CD GLN A 8 -5.003 7.026 -5.119 1.00 0.00 C ATOM 137 OE1 GLN A 8 -4.520 7.805 -5.940 1.00 0.00 O ATOM 138 NE2 GLN A 8 -4.682 7.061 -3.840 1.00 0.00 N ATOM 0 H GLN A 8 -6.612 5.215 -8.116 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.930 5.595 -7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.188 3.933 -6.101 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.698 4.334 -5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.663 6.402 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.680 5.776 -4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.104 6.398 -3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.012 7.751 -3.501 1.00 0.00 H new ATOM 147 N MET A 9 -4.745 2.629 -8.407 1.00 0.00 N ATOM 148 CA MET A 9 -4.158 1.404 -8.922 1.00 0.00 C ATOM 149 C MET A 9 -3.139 1.739 -10.005 1.00 0.00 C ATOM 150 O MET A 9 -2.049 1.178 -10.036 1.00 0.00 O ATOM 151 CB MET A 9 -5.235 0.470 -9.475 1.00 0.00 C ATOM 152 CG MET A 9 -4.672 -0.800 -10.096 1.00 0.00 C ATOM 153 SD MET A 9 -5.954 -1.962 -10.598 1.00 0.00 S ATOM 154 CE MET A 9 -6.592 -2.451 -8.998 1.00 0.00 C ATOM 0 H MET A 9 -5.739 2.742 -8.607 1.00 0.00 H new ATOM 0 HA MET A 9 -3.656 0.888 -8.103 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.919 0.200 -8.671 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.819 1.004 -10.224 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.067 -0.537 -10.964 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.009 -1.285 -9.380 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.184 -3.360 -9.105 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.762 -2.636 -8.316 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.220 -1.655 -8.598 1.00 0.00 H new ATOM 164 N GLU A 10 -3.506 2.670 -10.878 1.00 0.00 N ATOM 165 CA GLU A 10 -2.615 3.173 -11.903 1.00 0.00 C ATOM 166 C GLU A 10 -1.350 3.757 -11.278 1.00 0.00 C ATOM 167 O GLU A 10 -0.247 3.559 -11.783 1.00 0.00 O ATOM 168 CB GLU A 10 -3.348 4.242 -12.708 1.00 0.00 C ATOM 169 CG GLU A 10 -4.479 3.703 -13.568 1.00 0.00 C ATOM 170 CD GLU A 10 -4.015 2.696 -14.597 1.00 0.00 C ATOM 171 OE1 GLU A 10 -3.362 3.103 -15.577 1.00 0.00 O ATOM 172 OE2 GLU A 10 -4.325 1.497 -14.445 1.00 0.00 O ATOM 0 H GLU A 10 -4.433 3.095 -10.890 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.318 2.355 -12.559 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.751 4.986 -12.021 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.631 4.755 -13.349 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.226 3.238 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.968 4.534 -14.076 1.00 0.00 H new ATOM 179 N GLU A 11 -1.526 4.465 -10.167 1.00 0.00 N ATOM 180 CA GLU A 11 -0.419 5.016 -9.406 1.00 0.00 C ATOM 181 C GLU A 11 0.551 3.920 -8.974 1.00 0.00 C ATOM 182 O GLU A 11 1.766 4.047 -9.140 1.00 0.00 O ATOM 183 CB GLU A 11 -0.980 5.743 -8.185 1.00 0.00 C ATOM 184 CG GLU A 11 -1.579 7.104 -8.497 1.00 0.00 C ATOM 185 CD GLU A 11 -0.527 8.163 -8.765 1.00 0.00 C ATOM 186 OE1 GLU A 11 0.181 8.065 -9.787 1.00 0.00 O ATOM 187 OE2 GLU A 11 -0.402 9.100 -7.945 1.00 0.00 O ATOM 0 H GLU A 11 -2.443 4.671 -9.771 1.00 0.00 H new ATOM 0 HA GLU A 11 0.136 5.714 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.744 5.118 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.183 5.868 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.231 7.018 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.203 7.421 -7.661 1.00 0.00 H new ATOM 194 N MET A 12 0.010 2.839 -8.431 1.00 0.00 N ATOM 195 CA MET A 12 0.831 1.716 -7.995 1.00 0.00 C ATOM 196 C MET A 12 1.429 0.981 -9.193 1.00 0.00 C ATOM 197 O MET A 12 2.592 0.582 -9.169 1.00 0.00 O ATOM 198 CB MET A 12 0.009 0.754 -7.137 1.00 0.00 C ATOM 199 CG MET A 12 -0.451 1.354 -5.818 1.00 0.00 C ATOM 200 SD MET A 12 -1.368 0.182 -4.798 1.00 0.00 S ATOM 201 CE MET A 12 -2.755 -0.190 -5.866 1.00 0.00 C ATOM 0 H MET A 12 -0.991 2.715 -8.282 1.00 0.00 H new ATOM 0 HA MET A 12 1.650 2.109 -7.392 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.864 0.431 -7.704 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.604 -0.136 -6.933 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.417 1.709 -5.263 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.078 2.223 -6.018 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.450 -0.848 -5.344 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.265 0.735 -6.136 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.397 -0.684 -6.769 1.00 0.00 H new ATOM 211 N LEU A 13 0.631 0.826 -10.245 1.00 0.00 N ATOM 212 CA LEU A 13 1.065 0.136 -11.458 1.00 0.00 C ATOM 213 C LEU A 13 2.209 0.875 -12.148 1.00 0.00 C ATOM 214 O LEU A 13 3.192 0.261 -12.566 1.00 0.00 O ATOM 215 CB LEU A 13 -0.114 -0.029 -12.424 1.00 0.00 C ATOM 216 CG LEU A 13 -1.178 -1.040 -11.987 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.282 -1.130 -13.026 1.00 0.00 C ATOM 218 CD2 LEU A 13 -0.551 -2.405 -11.760 1.00 0.00 C ATOM 0 H LEU A 13 -0.328 1.172 -10.283 1.00 0.00 H new ATOM 0 HA LEU A 13 1.432 -0.848 -11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.591 0.942 -12.559 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.274 -0.331 -13.397 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.614 -0.699 -11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.030 -1.853 -12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.750 -0.153 -13.146 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.860 -1.449 -13.979 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.321 -3.112 -11.450 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.091 -2.752 -12.685 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.209 -2.332 -10.982 1.00 0.00 H new ATOM 230 N ALA A 14 2.084 2.192 -12.257 1.00 0.00 N ATOM 231 CA ALA A 14 3.120 3.006 -12.879 1.00 0.00 C ATOM 232 C ALA A 14 4.428 2.893 -12.108 1.00 0.00 C ATOM 233 O ALA A 14 5.492 2.696 -12.694 1.00 0.00 O ATOM 234 CB ALA A 14 2.676 4.457 -12.966 1.00 0.00 C ATOM 0 H ALA A 14 1.277 2.718 -11.923 1.00 0.00 H new ATOM 0 HA ALA A 14 3.286 2.635 -13.890 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.462 5.051 -13.433 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.767 4.524 -13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.480 4.838 -11.964 1.00 0.00 H new ATOM 240 N HIS A 15 4.334 2.994 -10.786 1.00 0.00 N ATOM 241 CA HIS A 15 5.512 2.874 -9.939 1.00 0.00 C ATOM 242 C HIS A 15 6.071 1.461 -10.013 1.00 0.00 C ATOM 243 O HIS A 15 7.278 1.257 -9.910 1.00 0.00 O ATOM 244 CB HIS A 15 5.192 3.241 -8.490 1.00 0.00 C ATOM 245 CG HIS A 15 6.415 3.480 -7.651 1.00 0.00 C ATOM 246 ND1 HIS A 15 7.173 4.630 -7.730 1.00 0.00 N ATOM 247 CD2 HIS A 15 7.010 2.708 -6.712 1.00 0.00 C ATOM 248 CE1 HIS A 15 8.177 4.553 -6.879 1.00 0.00 C ATOM 249 NE2 HIS A 15 8.102 3.397 -6.247 1.00 0.00 N ATOM 0 H HIS A 15 3.462 3.157 -10.283 1.00 0.00 H new ATOM 0 HA HIS A 15 6.263 3.574 -10.305 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.572 4.137 -8.478 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.604 2.440 -8.042 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.986 5.418 -8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.685 1.730 -6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.933 5.309 -6.725 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.750 3.069 -5.530 1.00 0.00 H new ATOM 258 N ALA A 16 5.182 0.490 -10.176 1.00 0.00 N ATOM 259 CA ALA A 16 5.591 -0.899 -10.334 1.00 0.00 C ATOM 260 C ALA A 16 6.477 -1.069 -11.556 1.00 0.00 C ATOM 261 O ALA A 16 7.587 -1.584 -11.454 1.00 0.00 O ATOM 262 CB ALA A 16 4.379 -1.810 -10.431 1.00 0.00 C ATOM 0 H ALA A 16 4.173 0.639 -10.202 1.00 0.00 H new ATOM 0 HA ALA A 16 6.166 -1.180 -9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.708 -2.842 -10.549 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.783 -1.720 -9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.775 -1.522 -11.291 1.00 0.00 H new ATOM 268 N ARG A 17 6.002 -0.599 -12.703 1.00 0.00 N ATOM 269 CA ARG A 17 6.759 -0.713 -13.946 1.00 0.00 C ATOM 270 C ARG A 17 8.039 0.113 -13.873 1.00 0.00 C ATOM 271 O ARG A 17 9.063 -0.253 -14.451 1.00 0.00 O ATOM 272 CB ARG A 17 5.914 -0.262 -15.135 1.00 0.00 C ATOM 273 CG ARG A 17 4.715 -1.155 -15.398 1.00 0.00 C ATOM 274 CD ARG A 17 5.137 -2.580 -15.722 1.00 0.00 C ATOM 275 NE ARG A 17 3.986 -3.467 -15.893 1.00 0.00 N ATOM 276 CZ ARG A 17 4.056 -4.797 -15.892 1.00 0.00 C ATOM 277 NH1 ARG A 17 5.229 -5.413 -15.790 1.00 0.00 N ATOM 278 NH2 ARG A 17 2.950 -5.518 -16.011 1.00 0.00 N ATOM 0 H ARG A 17 5.098 -0.136 -12.800 1.00 0.00 H new ATOM 0 HA ARG A 17 7.025 -1.761 -14.084 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.567 0.756 -14.959 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.540 -0.236 -16.027 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.064 -1.158 -14.524 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.134 -0.750 -16.226 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.735 -2.583 -16.633 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.772 -2.961 -14.922 1.00 0.00 H new ATOM 0 HE ARG A 17 3.069 -3.038 -16.021 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.087 -4.867 -15.711 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.272 -6.432 -15.790 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.046 -5.054 -16.103 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.003 -6.537 -16.010 1.00 0.00 H new ATOM 292 N GLN A 18 7.962 1.232 -13.165 1.00 0.00 N ATOM 293 CA GLN A 18 9.112 2.094 -12.934 1.00 0.00 C ATOM 294 C GLN A 18 10.186 1.383 -12.113 1.00 0.00 C ATOM 295 O GLN A 18 11.377 1.459 -12.420 1.00 0.00 O ATOM 296 CB GLN A 18 8.656 3.360 -12.205 1.00 0.00 C ATOM 297 CG GLN A 18 9.781 4.311 -11.834 1.00 0.00 C ATOM 298 CD GLN A 18 9.307 5.439 -10.942 1.00 0.00 C ATOM 299 OE1 GLN A 18 8.354 5.286 -10.178 1.00 0.00 O ATOM 300 NE2 GLN A 18 9.984 6.573 -11.013 1.00 0.00 N ATOM 0 H GLN A 18 7.100 1.567 -12.735 1.00 0.00 H new ATOM 0 HA GLN A 18 9.546 2.354 -13.899 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.942 3.890 -12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.127 3.071 -11.297 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.571 3.756 -11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.217 4.727 -12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.768 6.659 -11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.722 7.361 -10.421 1.00 0.00 H new ATOM 309 N ALA A 19 9.754 0.692 -11.071 1.00 0.00 N ATOM 310 CA ALA A 19 10.671 0.071 -10.124 1.00 0.00 C ATOM 311 C ALA A 19 11.200 -1.276 -10.614 1.00 0.00 C ATOM 312 O ALA A 19 12.404 -1.522 -10.551 1.00 0.00 O ATOM 313 CB ALA A 19 9.999 -0.091 -8.770 1.00 0.00 C ATOM 0 H ALA A 19 8.768 0.545 -10.857 1.00 0.00 H new ATOM 0 HA ALA A 19 11.529 0.736 -10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.695 -0.556 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.704 0.887 -8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.116 -0.721 -8.875 1.00 0.00 H new ATOM 319 N LEU A 20 10.305 -2.137 -11.096 1.00 0.00 N ATOM 320 CA LEU A 20 10.665 -3.506 -11.460 1.00 0.00 C ATOM 321 C LEU A 20 11.827 -3.541 -12.452 1.00 0.00 C ATOM 322 O LEU A 20 11.843 -2.796 -13.433 1.00 0.00 O ATOM 323 CB LEU A 20 9.460 -4.239 -12.058 1.00 0.00 C ATOM 324 CG LEU A 20 8.251 -4.391 -11.131 1.00 0.00 C ATOM 325 CD1 LEU A 20 7.130 -5.141 -11.836 1.00 0.00 C ATOM 326 CD2 LEU A 20 8.646 -5.100 -9.843 1.00 0.00 C ATOM 0 H LEU A 20 9.322 -1.909 -11.244 1.00 0.00 H new ATOM 0 HA LEU A 20 10.980 -4.009 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.143 -3.707 -12.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.781 -5.232 -12.373 1.00 0.00 H new ATOM 0 HG LEU A 20 7.889 -3.396 -10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.279 -5.240 -11.163 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.827 -4.589 -12.726 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.481 -6.132 -12.125 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.772 -5.198 -9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.036 -6.090 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.413 -4.520 -9.329 1.00 0.00 H new ATOM 338 N PRO A 21 12.816 -4.412 -12.206 1.00 0.00 N ATOM 339 CA PRO A 21 12.848 -5.289 -11.038 1.00 0.00 C ATOM 340 C PRO A 21 13.446 -4.600 -9.809 1.00 0.00 C ATOM 341 O PRO A 21 14.563 -4.080 -9.862 1.00 0.00 O ATOM 342 CB PRO A 21 13.744 -6.455 -11.490 1.00 0.00 C ATOM 343 CG PRO A 21 14.217 -6.115 -12.874 1.00 0.00 C ATOM 344 CD PRO A 21 13.977 -4.644 -13.062 1.00 0.00 C ATOM 0 HA PRO A 21 11.848 -5.597 -10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.588 -6.582 -10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.190 -7.394 -11.489 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.274 -6.353 -12.991 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.675 -6.694 -13.622 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.836 -4.048 -12.754 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.772 -4.394 -14.103 1.00 0.00 H new ATOM 352 N ASN A 22 12.701 -4.622 -8.702 1.00 0.00 N ATOM 353 CA ASN A 22 13.092 -3.942 -7.468 1.00 0.00 C ATOM 354 C ASN A 22 12.016 -4.120 -6.401 1.00 0.00 C ATOM 355 O ASN A 22 12.298 -4.061 -5.204 1.00 0.00 O ATOM 356 CB ASN A 22 13.309 -2.448 -7.724 1.00 0.00 C ATOM 357 CG ASN A 22 13.708 -1.699 -6.470 1.00 0.00 C ATOM 358 OD1 ASN A 22 12.868 -1.127 -5.776 1.00 0.00 O ATOM 359 ND2 ASN A 22 14.993 -1.695 -6.170 1.00 0.00 N ATOM 0 H ASN A 22 11.809 -5.113 -8.637 1.00 0.00 H new ATOM 0 HA ASN A 22 14.025 -4.384 -7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.082 -2.321 -8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.394 -2.015 -8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.321 -1.206 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.659 -2.181 -6.771 1.00 0.00 H new ATOM 366 N GLU A 23 10.791 -4.360 -6.873 1.00 0.00 N ATOM 367 CA GLU A 23 9.592 -4.414 -6.030 1.00 0.00 C ATOM 368 C GLU A 23 9.161 -3.016 -5.620 1.00 0.00 C ATOM 369 O GLU A 23 9.779 -2.375 -4.771 1.00 0.00 O ATOM 370 CB GLU A 23 9.757 -5.303 -4.790 1.00 0.00 C ATOM 371 CG GLU A 23 9.671 -6.786 -5.092 1.00 0.00 C ATOM 372 CD GLU A 23 9.094 -7.578 -3.934 1.00 0.00 C ATOM 373 OE1 GLU A 23 7.921 -7.332 -3.565 1.00 0.00 O ATOM 374 OE2 GLU A 23 9.783 -8.479 -3.417 1.00 0.00 O ATOM 0 H GLU A 23 10.600 -4.524 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 23 8.814 -4.872 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.720 -5.090 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.988 -5.044 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.053 -6.939 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.666 -7.165 -5.328 1.00 0.00 H new ATOM 381 N ALA A 24 8.101 -2.544 -6.257 1.00 0.00 N ATOM 382 CA ALA A 24 7.559 -1.232 -5.968 1.00 0.00 C ATOM 383 C ALA A 24 6.943 -1.213 -4.580 1.00 0.00 C ATOM 384 O ALA A 24 5.954 -1.893 -4.320 1.00 0.00 O ATOM 385 CB ALA A 24 6.529 -0.846 -7.014 1.00 0.00 C ATOM 0 H ALA A 24 7.598 -3.056 -6.982 1.00 0.00 H new ATOM 0 HA ALA A 24 8.369 -0.503 -5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.130 0.142 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.998 -0.828 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.718 -1.574 -7.012 1.00 0.00 H new ATOM 391 N CYS A 25 7.539 -0.433 -3.701 1.00 0.00 N ATOM 392 CA CYS A 25 7.093 -0.346 -2.324 1.00 0.00 C ATOM 393 C CYS A 25 6.595 1.061 -2.029 1.00 0.00 C ATOM 394 O CYS A 25 6.767 1.968 -2.844 1.00 0.00 O ATOM 395 CB CYS A 25 8.240 -0.716 -1.384 1.00 0.00 C ATOM 396 SG CYS A 25 8.969 -2.331 -1.732 1.00 0.00 S ATOM 0 H CYS A 25 8.343 0.156 -3.919 1.00 0.00 H new ATOM 0 HA CYS A 25 6.272 -1.046 -2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.016 0.046 -1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.875 -0.705 -0.357 1.00 0.00 H new ATOM 0 HG CYS A 25 9.316 -2.390 -2.983 1.00 0.00 H new ATOM 402 N GLY A 26 5.945 1.238 -0.895 1.00 0.00 N ATOM 403 CA GLY A 26 5.496 2.555 -0.511 1.00 0.00 C ATOM 404 C GLY A 26 4.556 2.520 0.670 1.00 0.00 C ATOM 405 O GLY A 26 4.420 1.490 1.329 1.00 0.00 O ATOM 0 H GLY A 26 5.720 0.495 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.360 3.174 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.995 3.026 -1.357 1.00 0.00 H new ATOM 409 N LEU A 27 3.896 3.637 0.923 1.00 0.00 N ATOM 410 CA LEU A 27 2.978 3.752 2.045 1.00 0.00 C ATOM 411 C LEU A 27 1.608 4.182 1.547 1.00 0.00 C ATOM 412 O LEU A 27 1.486 4.777 0.474 1.00 0.00 O ATOM 413 CB LEU A 27 3.496 4.775 3.065 1.00 0.00 C ATOM 414 CG LEU A 27 4.841 4.444 3.716 1.00 0.00 C ATOM 415 CD1 LEU A 27 5.279 5.578 4.628 1.00 0.00 C ATOM 416 CD2 LEU A 27 4.754 3.144 4.500 1.00 0.00 C ATOM 0 H LEU A 27 3.980 4.484 0.362 1.00 0.00 H new ATOM 0 HA LEU A 27 2.903 2.779 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.582 5.742 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.750 4.885 3.852 1.00 0.00 H new ATOM 0 HG LEU A 27 5.582 4.321 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.237 5.329 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.382 6.494 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.533 5.726 5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.721 2.928 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.999 3.240 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.479 2.331 3.828 1.00 0.00 H new ATOM 428 N LEU A 28 0.583 3.876 2.323 1.00 0.00 N ATOM 429 CA LEU A 28 -0.776 4.247 1.971 1.00 0.00 C ATOM 430 C LEU A 28 -1.302 5.289 2.942 1.00 0.00 C ATOM 431 O LEU A 28 -1.272 5.088 4.159 1.00 0.00 O ATOM 432 CB LEU A 28 -1.685 3.019 1.992 1.00 0.00 C ATOM 433 CG LEU A 28 -1.289 1.897 1.034 1.00 0.00 C ATOM 434 CD1 LEU A 28 -2.183 0.687 1.240 1.00 0.00 C ATOM 435 CD2 LEU A 28 -1.363 2.378 -0.408 1.00 0.00 C ATOM 0 H LEU A 28 0.667 3.370 3.204 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.770 4.666 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.704 2.619 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.701 3.335 1.755 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.260 1.606 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.889 -0.104 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.083 0.331 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.220 0.965 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.078 1.566 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.381 2.694 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.683 3.219 -0.547 1.00 0.00 H new ATOM 447 N GLY A 29 -1.782 6.398 2.401 1.00 0.00 N ATOM 448 CA GLY A 29 -2.325 7.449 3.229 1.00 0.00 C ATOM 449 C GLY A 29 -3.750 7.786 2.846 1.00 0.00 C ATOM 450 O GLY A 29 -4.075 7.898 1.660 1.00 0.00 O ATOM 0 H GLY A 29 -1.804 6.588 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.292 7.142 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.704 8.340 3.139 1.00 0.00 H new ATOM 454 N GLY A 30 -4.600 7.927 3.842 1.00 0.00 N ATOM 455 CA GLY A 30 -5.988 8.248 3.599 1.00 0.00 C ATOM 456 C GLY A 30 -6.749 8.378 4.892 1.00 0.00 C ATOM 457 O GLY A 30 -6.152 8.589 5.945 1.00 0.00 O ATOM 0 H GLY A 30 -4.353 7.824 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.056 9.180 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.442 7.472 2.983 1.00 0.00 H new ATOM 461 N ARG A 31 -8.057 8.247 4.830 1.00 0.00 N ATOM 462 CA ARG A 31 -8.880 8.361 6.021 1.00 0.00 C ATOM 463 C ARG A 31 -9.780 7.153 6.189 1.00 0.00 C ATOM 464 O ARG A 31 -10.195 6.529 5.210 1.00 0.00 O ATOM 465 CB ARG A 31 -9.703 9.643 5.984 1.00 0.00 C ATOM 466 CG ARG A 31 -8.892 10.867 6.366 1.00 0.00 C ATOM 467 CD ARG A 31 -9.657 12.155 6.140 1.00 0.00 C ATOM 468 NE ARG A 31 -9.731 12.509 4.727 1.00 0.00 N ATOM 469 CZ ARG A 31 -10.068 13.718 4.287 1.00 0.00 C ATOM 470 NH1 ARG A 31 -10.394 14.678 5.144 1.00 0.00 N ATOM 471 NH2 ARG A 31 -10.074 13.975 2.990 1.00 0.00 N ATOM 0 H ARG A 31 -8.575 8.062 3.971 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.214 8.401 6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.111 9.780 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.550 9.546 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.604 10.797 7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.971 10.887 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.665 12.052 6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.176 12.963 6.691 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.512 11.789 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.387 14.491 6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.651 15.603 4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.820 13.245 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.333 14.903 2.655 1.00 0.00 H new ATOM 485 N ARG A 32 -10.057 6.815 7.439 1.00 0.00 N ATOM 486 CA ARG A 32 -10.879 5.664 7.750 1.00 0.00 C ATOM 487 C ARG A 32 -12.181 6.093 8.419 1.00 0.00 C ATOM 488 O ARG A 32 -12.188 6.935 9.319 1.00 0.00 O ATOM 489 CB ARG A 32 -10.112 4.675 8.637 1.00 0.00 C ATOM 490 CG ARG A 32 -9.551 5.282 9.911 1.00 0.00 C ATOM 491 CD ARG A 32 -8.796 4.252 10.733 1.00 0.00 C ATOM 492 NE ARG A 32 -8.270 4.825 11.969 1.00 0.00 N ATOM 493 CZ ARG A 32 -8.586 4.388 13.184 1.00 0.00 C ATOM 494 NH1 ARG A 32 -9.374 3.330 13.323 1.00 0.00 N ATOM 495 NH2 ARG A 32 -8.086 4.993 14.252 1.00 0.00 N ATOM 0 H ARG A 32 -9.721 7.326 8.255 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.128 5.161 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.776 3.853 8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.292 4.248 8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.885 6.107 9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.364 5.698 10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.459 3.420 10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.975 3.846 10.142 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.621 5.608 11.896 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.737 2.852 12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.617 2.994 14.255 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.461 5.791 14.140 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.326 4.660 15.186 1.00 0.00 H new ATOM 509 N ASP A 33 -13.281 5.513 7.969 1.00 0.00 N ATOM 510 CA ASP A 33 -14.599 5.832 8.512 1.00 0.00 C ATOM 511 C ASP A 33 -15.390 4.543 8.656 1.00 0.00 C ATOM 512 O ASP A 33 -15.675 3.873 7.666 1.00 0.00 O ATOM 513 CB ASP A 33 -15.347 6.814 7.598 1.00 0.00 C ATOM 514 CG ASP A 33 -16.557 7.447 8.260 1.00 0.00 C ATOM 515 OD1 ASP A 33 -17.391 6.717 8.828 1.00 0.00 O ATOM 516 OD2 ASP A 33 -16.680 8.689 8.207 1.00 0.00 O ATOM 0 H ASP A 33 -13.291 4.815 7.225 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.481 6.309 9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.661 7.600 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.667 6.290 6.697 1.00 0.00 H new ATOM 521 N GLY A 34 -15.725 4.191 9.889 1.00 0.00 N ATOM 522 CA GLY A 34 -16.314 2.893 10.142 1.00 0.00 C ATOM 523 C GLY A 34 -15.260 1.811 10.062 1.00 0.00 C ATOM 524 O GLY A 34 -15.554 0.659 9.744 1.00 0.00 O ATOM 0 H GLY A 34 -15.600 4.778 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.780 2.884 11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.102 2.696 9.415 1.00 0.00 H new ATOM 528 N ASP A 35 -14.022 2.225 10.342 1.00 0.00 N ATOM 529 CA ASP A 35 -12.831 1.373 10.283 1.00 0.00 C ATOM 530 C ASP A 35 -12.396 1.120 8.838 1.00 0.00 C ATOM 531 O ASP A 35 -11.230 0.813 8.585 1.00 0.00 O ATOM 532 CB ASP A 35 -13.045 0.048 11.018 1.00 0.00 C ATOM 533 CG ASP A 35 -11.741 -0.648 11.364 1.00 0.00 C ATOM 534 OD1 ASP A 35 -11.178 -0.349 12.443 1.00 0.00 O ATOM 535 OD2 ASP A 35 -11.274 -1.504 10.589 1.00 0.00 O ATOM 0 H ASP A 35 -13.815 3.184 10.622 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.031 1.912 10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.608 0.232 11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.651 -0.613 10.398 1.00 0.00 H new ATOM 540 N ASP A 36 -13.324 1.265 7.890 1.00 0.00 N ATOM 541 CA ASP A 36 -12.990 1.122 6.475 1.00 0.00 C ATOM 542 C ASP A 36 -12.034 2.216 6.049 1.00 0.00 C ATOM 543 O ASP A 36 -11.999 3.291 6.637 1.00 0.00 O ATOM 544 CB ASP A 36 -14.228 1.161 5.582 1.00 0.00 C ATOM 545 CG ASP A 36 -15.137 -0.033 5.785 1.00 0.00 C ATOM 546 OD1 ASP A 36 -14.681 -1.173 5.544 1.00 0.00 O ATOM 547 OD2 ASP A 36 -16.307 0.156 6.170 1.00 0.00 O ATOM 0 H ASP A 36 -14.304 1.479 8.076 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.519 0.146 6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.787 2.075 5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.916 1.201 4.538 1.00 0.00 H new ATOM 552 N ARG A 37 -11.291 1.946 4.998 1.00 0.00 N ATOM 553 CA ARG A 37 -10.158 2.780 4.619 1.00 0.00 C ATOM 554 C ARG A 37 -10.250 3.203 3.160 1.00 0.00 C ATOM 555 O ARG A 37 -10.455 2.366 2.282 1.00 0.00 O ATOM 556 CB ARG A 37 -8.851 2.011 4.836 1.00 0.00 C ATOM 557 CG ARG A 37 -8.752 1.339 6.195 1.00 0.00 C ATOM 558 CD ARG A 37 -7.593 0.354 6.247 1.00 0.00 C ATOM 559 NE ARG A 37 -7.712 -0.563 7.381 1.00 0.00 N ATOM 560 CZ ARG A 37 -8.306 -1.755 7.309 1.00 0.00 C ATOM 561 NH1 ARG A 37 -8.814 -2.178 6.156 1.00 0.00 N ATOM 562 NH2 ARG A 37 -8.397 -2.522 8.386 1.00 0.00 N ATOM 0 H ARG A 37 -11.449 1.149 4.382 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.175 3.673 5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.753 1.253 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.013 2.698 4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.622 2.096 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.684 0.818 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.559 -0.217 5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.653 0.901 6.319 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.319 -0.274 8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.750 -1.591 5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.268 -3.090 6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.012 -2.201 9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.852 -3.433 8.326 1.00 0.00 H new ATOM 576 N TRP A 38 -10.098 4.494 2.909 1.00 0.00 N ATOM 577 CA TRP A 38 -10.028 5.001 1.551 1.00 0.00 C ATOM 578 C TRP A 38 -8.638 5.542 1.272 1.00 0.00 C ATOM 579 O TRP A 38 -8.159 6.434 1.970 1.00 0.00 O ATOM 580 CB TRP A 38 -11.077 6.094 1.324 1.00 0.00 C ATOM 581 CG TRP A 38 -12.474 5.577 1.406 1.00 0.00 C ATOM 582 CD1 TRP A 38 -13.200 5.028 0.394 1.00 0.00 C ATOM 583 CD2 TRP A 38 -13.310 5.551 2.564 1.00 0.00 C ATOM 584 NE1 TRP A 38 -14.440 4.655 0.851 1.00 0.00 N ATOM 585 CE2 TRP A 38 -14.531 4.964 2.184 1.00 0.00 C ATOM 586 CE3 TRP A 38 -13.141 5.963 3.884 1.00 0.00 C ATOM 587 CZ2 TRP A 38 -15.579 4.780 3.079 1.00 0.00 C ATOM 588 CZ3 TRP A 38 -14.180 5.779 4.771 1.00 0.00 C ATOM 589 CH2 TRP A 38 -15.385 5.191 4.368 1.00 0.00 C ATOM 0 H TRP A 38 -10.021 5.210 3.631 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.236 4.181 0.864 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -10.941 6.882 2.065 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -10.918 6.547 0.345 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -12.852 4.904 -0.621 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -15.173 4.220 0.291 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -12.215 6.417 4.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -16.510 4.330 2.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -14.062 6.095 5.797 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -16.177 5.060 5.090 1.00 0.00 H new ATOM 600 N VAL A 39 -7.983 4.984 0.265 1.00 0.00 N ATOM 601 CA VAL A 39 -6.651 5.427 -0.109 1.00 0.00 C ATOM 602 C VAL A 39 -6.743 6.705 -0.930 1.00 0.00 C ATOM 603 O VAL A 39 -6.912 6.660 -2.148 1.00 0.00 O ATOM 604 CB VAL A 39 -5.895 4.351 -0.917 1.00 0.00 C ATOM 605 CG1 VAL A 39 -4.454 4.771 -1.159 1.00 0.00 C ATOM 606 CG2 VAL A 39 -5.944 3.012 -0.197 1.00 0.00 C ATOM 0 H VAL A 39 -8.353 4.224 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.095 5.612 0.810 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.386 4.244 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.941 3.998 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.437 5.707 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.950 4.910 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.406 2.265 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.479 3.109 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.982 2.701 -0.078 1.00 0.00 H new ATOM 616 N GLU A 40 -6.657 7.836 -0.249 1.00 0.00 N ATOM 617 CA GLU A 40 -6.763 9.132 -0.898 1.00 0.00 C ATOM 618 C GLU A 40 -5.446 9.515 -1.566 1.00 0.00 C ATOM 619 O GLU A 40 -5.430 10.241 -2.562 1.00 0.00 O ATOM 620 CB GLU A 40 -7.180 10.193 0.120 1.00 0.00 C ATOM 621 CG GLU A 40 -8.567 9.956 0.699 1.00 0.00 C ATOM 622 CD GLU A 40 -8.946 10.974 1.753 1.00 0.00 C ATOM 623 OE1 GLU A 40 -8.949 12.183 1.445 1.00 0.00 O ATOM 624 OE2 GLU A 40 -9.231 10.571 2.899 1.00 0.00 O ATOM 0 H GLU A 40 -6.513 7.882 0.760 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.526 9.070 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.453 10.214 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.155 11.173 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.301 9.983 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.608 8.957 1.134 1.00 0.00 H new ATOM 631 N ARG A 41 -4.340 9.017 -1.027 1.00 0.00 N ATOM 632 CA ARG A 41 -3.033 9.283 -1.609 1.00 0.00 C ATOM 633 C ARG A 41 -2.107 8.081 -1.460 1.00 0.00 C ATOM 634 O ARG A 41 -2.048 7.452 -0.404 1.00 0.00 O ATOM 635 CB ARG A 41 -2.391 10.515 -0.963 1.00 0.00 C ATOM 636 CG ARG A 41 -1.052 10.909 -1.575 1.00 0.00 C ATOM 637 CD ARG A 41 -1.207 11.615 -2.921 1.00 0.00 C ATOM 638 NE ARG A 41 -1.925 10.809 -3.916 1.00 0.00 N ATOM 639 CZ ARG A 41 -1.346 10.225 -4.968 1.00 0.00 C ATOM 640 NH1 ARG A 41 -0.030 10.294 -5.137 1.00 0.00 N ATOM 641 NH2 ARG A 41 -2.080 9.557 -5.848 1.00 0.00 N ATOM 0 H ARG A 41 -4.323 8.430 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.181 9.476 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.079 11.356 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.250 10.323 0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.520 11.563 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.439 10.017 -1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.738 12.555 -2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.220 11.865 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.931 10.687 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.545 10.796 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.405 9.845 -5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.090 9.488 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.635 9.112 -6.651 1.00 0.00 H new ATOM 655 N VAL A 42 -1.404 7.762 -2.533 1.00 0.00 N ATOM 656 CA VAL A 42 -0.395 6.718 -2.506 1.00 0.00 C ATOM 657 C VAL A 42 0.982 7.358 -2.399 1.00 0.00 C ATOM 658 O VAL A 42 1.279 8.307 -3.121 1.00 0.00 O ATOM 659 CB VAL A 42 -0.452 5.833 -3.774 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.608 4.741 -3.727 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.832 5.218 -3.944 1.00 0.00 C ATOM 0 H VAL A 42 -1.515 8.215 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.589 6.081 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.249 6.472 -4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.545 4.134 -4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.596 5.196 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.442 4.110 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.847 4.600 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.065 4.602 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.575 6.010 -4.036 1.00 0.00 H new ATOM 671 N TYR A 43 1.801 6.856 -1.488 1.00 0.00 N ATOM 672 CA TYR A 43 3.152 7.371 -1.304 1.00 0.00 C ATOM 673 C TYR A 43 4.172 6.362 -1.820 1.00 0.00 C ATOM 674 O TYR A 43 4.626 5.492 -1.076 1.00 0.00 O ATOM 675 CB TYR A 43 3.417 7.697 0.168 1.00 0.00 C ATOM 676 CG TYR A 43 2.624 8.880 0.683 1.00 0.00 C ATOM 677 CD1 TYR A 43 1.341 8.717 1.185 1.00 0.00 C ATOM 678 CD2 TYR A 43 3.166 10.159 0.670 1.00 0.00 C ATOM 679 CE1 TYR A 43 0.617 9.795 1.658 1.00 0.00 C ATOM 680 CE2 TYR A 43 2.450 11.242 1.146 1.00 0.00 C ATOM 681 CZ TYR A 43 1.177 11.054 1.639 1.00 0.00 C ATOM 682 OH TYR A 43 0.462 12.127 2.115 1.00 0.00 O ATOM 0 H TYR A 43 1.554 6.090 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 43 3.250 8.294 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.181 6.822 0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.480 7.898 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.901 7.731 1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.163 10.310 0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.383 9.651 2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.886 12.230 1.131 1.00 0.00 H new ATOM 0 HH TYR A 43 0.786 12.950 1.692 1.00 0.00 H new ATOM 692 N PRO A 44 4.499 6.431 -3.120 1.00 0.00 N ATOM 693 CA PRO A 44 5.398 5.478 -3.768 1.00 0.00 C ATOM 694 C PRO A 44 6.850 5.665 -3.337 1.00 0.00 C ATOM 695 O PRO A 44 7.471 6.688 -3.627 1.00 0.00 O ATOM 696 CB PRO A 44 5.239 5.781 -5.268 1.00 0.00 C ATOM 697 CG PRO A 44 4.098 6.738 -5.374 1.00 0.00 C ATOM 698 CD PRO A 44 4.041 7.458 -4.064 1.00 0.00 C ATOM 0 HA PRO A 44 5.151 4.450 -3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.151 6.214 -5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.038 4.870 -5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.250 7.437 -6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.164 6.212 -5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.687 8.336 -4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.033 7.802 -3.833 1.00 0.00 H new ATOM 706 N LEU A 45 7.385 4.665 -2.656 1.00 0.00 N ATOM 707 CA LEU A 45 8.749 4.715 -2.151 1.00 0.00 C ATOM 708 C LEU A 45 9.601 3.657 -2.847 1.00 0.00 C ATOM 709 O LEU A 45 9.166 3.049 -3.830 1.00 0.00 O ATOM 710 CB LEU A 45 8.751 4.490 -0.635 1.00 0.00 C ATOM 711 CG LEU A 45 7.875 5.457 0.169 1.00 0.00 C ATOM 712 CD1 LEU A 45 7.936 5.119 1.650 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.303 6.898 -0.069 1.00 0.00 C ATOM 0 H LEU A 45 6.890 3.800 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 45 9.173 5.697 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.419 3.471 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.776 4.568 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 45 6.844 5.349 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.309 5.814 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.577 4.102 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.965 5.198 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.668 7.567 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.341 7.025 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.208 7.136 -1.128 1.00 0.00 H new ATOM 725 N ASN A 46 10.806 3.434 -2.353 1.00 0.00 N ATOM 726 CA ASN A 46 11.697 2.450 -2.954 1.00 0.00 C ATOM 727 C ASN A 46 12.164 1.443 -1.914 1.00 0.00 C ATOM 728 O ASN A 46 12.287 1.771 -0.737 1.00 0.00 O ATOM 729 CB ASN A 46 12.900 3.147 -3.598 1.00 0.00 C ATOM 730 CG ASN A 46 13.832 2.181 -4.307 1.00 0.00 C ATOM 731 OD1 ASN A 46 14.806 1.698 -3.733 1.00 0.00 O ATOM 732 ND2 ASN A 46 13.537 1.892 -5.565 1.00 0.00 N ATOM 0 H ASN A 46 11.191 3.917 -1.541 1.00 0.00 H new ATOM 0 HA ASN A 46 11.147 1.914 -3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.544 3.890 -4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.457 3.684 -2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.127 1.248 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.720 2.313 -6.007 1.00 0.00 H new ATOM 739 N ASN A 47 12.403 0.214 -2.348 1.00 0.00 N ATOM 740 CA ASN A 47 12.903 -0.818 -1.454 1.00 0.00 C ATOM 741 C ASN A 47 14.421 -0.742 -1.410 1.00 0.00 C ATOM 742 O ASN A 47 15.100 -1.025 -2.398 1.00 0.00 O ATOM 743 CB ASN A 47 12.435 -2.209 -1.901 1.00 0.00 C ATOM 744 CG ASN A 47 12.800 -3.303 -0.909 1.00 0.00 C ATOM 745 OD1 ASN A 47 12.970 -3.052 0.285 1.00 0.00 O ATOM 746 ND2 ASN A 47 12.889 -4.533 -1.392 1.00 0.00 N ATOM 0 H ASN A 47 12.259 -0.091 -3.311 1.00 0.00 H new ATOM 0 HA ASN A 47 12.504 -0.650 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.354 -2.196 -2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.877 -2.442 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.105 -5.311 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.742 -4.702 -2.387 1.00 0.00 H new ATOM 753 N LEU A 48 14.945 -0.337 -0.262 1.00 0.00 N ATOM 754 CA LEU A 48 16.369 -0.084 -0.097 1.00 0.00 C ATOM 755 C LEU A 48 17.196 -1.353 -0.260 1.00 0.00 C ATOM 756 O LEU A 48 18.404 -1.286 -0.492 1.00 0.00 O ATOM 757 CB LEU A 48 16.632 0.544 1.274 1.00 0.00 C ATOM 758 CG LEU A 48 16.429 2.062 1.363 1.00 0.00 C ATOM 759 CD1 LEU A 48 17.526 2.793 0.611 1.00 0.00 C ATOM 760 CD2 LEU A 48 15.072 2.476 0.819 1.00 0.00 C ATOM 0 H LEU A 48 14.395 -0.175 0.581 1.00 0.00 H new ATOM 0 HA LEU A 48 16.675 0.609 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.978 0.066 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 48 17.657 0.316 1.567 1.00 0.00 H new ATOM 0 HG LEU A 48 16.473 2.334 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.364 3.868 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.494 2.541 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.509 2.496 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.963 3.558 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.993 2.179 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.285 1.989 1.395 1.00 0.00 H new ATOM 772 N ASP A 49 16.557 -2.501 -0.131 1.00 0.00 N ATOM 773 CA ASP A 49 17.250 -3.764 -0.315 1.00 0.00 C ATOM 774 C ASP A 49 16.984 -4.305 -1.704 1.00 0.00 C ATOM 775 O ASP A 49 15.832 -4.437 -2.117 1.00 0.00 O ATOM 776 CB ASP A 49 16.816 -4.792 0.725 1.00 0.00 C ATOM 777 CG ASP A 49 17.995 -5.428 1.429 1.00 0.00 C ATOM 778 OD1 ASP A 49 18.457 -4.864 2.443 1.00 0.00 O ATOM 779 OD2 ASP A 49 18.461 -6.492 0.974 1.00 0.00 O ATOM 0 H ASP A 49 15.567 -2.586 0.099 1.00 0.00 H new ATOM 0 HA ASP A 49 18.317 -3.580 -0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.172 -4.311 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 49 16.223 -5.568 0.241 1.00 0.00 H new ATOM 784 N GLN A 50 18.045 -4.609 -2.427 1.00 0.00 N ATOM 785 CA GLN A 50 17.926 -5.186 -3.755 1.00 0.00 C ATOM 786 C GLN A 50 17.634 -6.678 -3.647 1.00 0.00 C ATOM 787 O GLN A 50 18.414 -7.519 -4.099 1.00 0.00 O ATOM 788 CB GLN A 50 19.201 -4.946 -4.569 1.00 0.00 C ATOM 789 CG GLN A 50 19.243 -3.598 -5.286 1.00 0.00 C ATOM 790 CD GLN A 50 19.292 -2.394 -4.358 1.00 0.00 C ATOM 791 OE1 GLN A 50 19.945 -2.535 -3.215 1.00 0.00 O flip ATOM 792 NE2 GLN A 50 18.773 -1.328 -4.688 1.00 0.00 N flip ATOM 0 H GLN A 50 19.006 -4.465 -2.115 1.00 0.00 H new ATOM 0 HA GLN A 50 17.100 -4.700 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.062 -5.018 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 50 19.302 -5.741 -5.308 1.00 0.00 H new ATOM 0 HG2 GLN A 50 20.116 -3.574 -5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.365 -3.513 -5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 50 18.277 -1.256 -5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 50 18.839 -0.517 -4.073 1.00 0.00 H new ATOM 801 N SER A 51 16.508 -6.993 -3.025 1.00 0.00 N ATOM 802 CA SER A 51 16.130 -8.364 -2.757 1.00 0.00 C ATOM 803 C SER A 51 14.624 -8.468 -2.521 1.00 0.00 C ATOM 804 O SER A 51 14.037 -7.595 -1.886 1.00 0.00 O ATOM 805 CB SER A 51 16.893 -8.850 -1.522 1.00 0.00 C ATOM 806 OG SER A 51 18.282 -8.967 -1.795 1.00 0.00 O ATOM 0 H SER A 51 15.834 -6.303 -2.694 1.00 0.00 H new ATOM 0 HA SER A 51 16.380 -8.986 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.738 -8.154 -0.697 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.499 -9.815 -1.203 1.00 0.00 H new ATOM 0 HG SER A 51 18.471 -8.611 -2.688 1.00 0.00 H new ATOM 812 N PRO A 52 13.989 -9.552 -3.003 1.00 0.00 N ATOM 813 CA PRO A 52 12.552 -9.779 -2.830 1.00 0.00 C ATOM 814 C PRO A 52 12.228 -10.494 -1.519 1.00 0.00 C ATOM 815 O PRO A 52 11.082 -10.862 -1.255 1.00 0.00 O ATOM 816 CB PRO A 52 12.217 -10.674 -4.023 1.00 0.00 C ATOM 817 CG PRO A 52 13.453 -11.479 -4.250 1.00 0.00 C ATOM 818 CD PRO A 52 14.619 -10.633 -3.789 1.00 0.00 C ATOM 0 HA PRO A 52 11.984 -8.850 -2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.361 -11.314 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.962 -10.083 -4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.412 -12.415 -3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.557 -11.738 -5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.317 -11.212 -3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.182 -10.236 -4.633 1.00 0.00 H new ATOM 826 N GLU A 53 13.255 -10.711 -0.712 1.00 0.00 N ATOM 827 CA GLU A 53 13.097 -11.385 0.569 1.00 0.00 C ATOM 828 C GLU A 53 13.279 -10.395 1.709 1.00 0.00 C ATOM 829 O GLU A 53 13.075 -10.719 2.880 1.00 0.00 O ATOM 830 CB GLU A 53 14.118 -12.512 0.676 1.00 0.00 C ATOM 831 CG GLU A 53 14.058 -13.469 -0.504 1.00 0.00 C ATOM 832 CD GLU A 53 15.215 -14.437 -0.548 1.00 0.00 C ATOM 833 OE1 GLU A 53 16.307 -14.094 -0.044 1.00 0.00 O ATOM 834 OE2 GLU A 53 15.040 -15.540 -1.108 1.00 0.00 O ATOM 0 H GLU A 53 14.212 -10.429 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 53 12.093 -11.804 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.119 -12.085 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.946 -13.067 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.125 -14.031 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.040 -12.893 -1.429 1.00 0.00 H new ATOM 841 N HIS A 54 13.678 -9.182 1.354 1.00 0.00 N ATOM 842 CA HIS A 54 13.888 -8.129 2.331 1.00 0.00 C ATOM 843 C HIS A 54 13.020 -6.940 1.956 1.00 0.00 C ATOM 844 O HIS A 54 12.986 -6.537 0.796 1.00 0.00 O ATOM 845 CB HIS A 54 15.359 -7.687 2.376 1.00 0.00 C ATOM 846 CG HIS A 54 16.366 -8.797 2.522 1.00 0.00 C ATOM 847 ND1 HIS A 54 17.692 -8.647 2.184 1.00 0.00 N ATOM 848 CD2 HIS A 54 16.243 -10.070 2.972 1.00 0.00 C ATOM 849 CE1 HIS A 54 18.338 -9.771 2.418 1.00 0.00 C ATOM 850 NE2 HIS A 54 17.484 -10.656 2.896 1.00 0.00 N ATOM 0 H HIS A 54 13.863 -8.904 0.390 1.00 0.00 H new ATOM 0 HA HIS A 54 13.621 -8.511 3.316 1.00 0.00 H new ATOM 0 HB2 HIS A 54 15.582 -7.135 1.463 1.00 0.00 H new ATOM 0 HB3 HIS A 54 15.486 -6.993 3.207 1.00 0.00 H new ATOM 0 HD1 HIS A 54 18.110 -7.796 1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.336 -10.538 3.325 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.391 -9.940 2.247 1.00 0.00 H new ATOM 859 N PHE A 55 12.334 -6.380 2.931 1.00 0.00 N ATOM 860 CA PHE A 55 11.412 -5.284 2.679 1.00 0.00 C ATOM 861 C PHE A 55 11.666 -4.143 3.651 1.00 0.00 C ATOM 862 O PHE A 55 11.349 -4.245 4.838 1.00 0.00 O ATOM 863 CB PHE A 55 9.965 -5.782 2.797 1.00 0.00 C ATOM 864 CG PHE A 55 8.930 -4.691 2.712 1.00 0.00 C ATOM 865 CD1 PHE A 55 8.678 -4.040 1.515 1.00 0.00 C ATOM 866 CD2 PHE A 55 8.200 -4.326 3.834 1.00 0.00 C ATOM 867 CE1 PHE A 55 7.721 -3.044 1.441 1.00 0.00 C ATOM 868 CE2 PHE A 55 7.245 -3.332 3.764 1.00 0.00 C ATOM 869 CZ PHE A 55 7.004 -2.690 2.567 1.00 0.00 C ATOM 0 H PHE A 55 12.396 -6.664 3.909 1.00 0.00 H new ATOM 0 HA PHE A 55 11.573 -4.911 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.777 -6.509 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.849 -6.305 3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.235 -4.313 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.381 -4.826 4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.534 -2.543 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.686 -3.057 4.646 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.257 -1.913 2.511 1.00 0.00 H new ATOM 879 N SER A 56 12.272 -3.069 3.158 1.00 0.00 N ATOM 880 CA SER A 56 12.546 -1.903 3.984 1.00 0.00 C ATOM 881 C SER A 56 12.756 -0.660 3.129 1.00 0.00 C ATOM 882 O SER A 56 13.473 -0.690 2.128 1.00 0.00 O ATOM 883 CB SER A 56 13.786 -2.127 4.850 1.00 0.00 C ATOM 884 OG SER A 56 13.654 -3.287 5.657 1.00 0.00 O ATOM 0 H SER A 56 12.582 -2.983 2.190 1.00 0.00 H new ATOM 0 HA SER A 56 11.678 -1.753 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.664 -2.225 4.212 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.949 -1.257 5.486 1.00 0.00 H new ATOM 0 HG SER A 56 12.713 -3.560 5.686 1.00 0.00 H new ATOM 890 N MET A 57 12.121 0.421 3.535 1.00 0.00 N ATOM 891 CA MET A 57 12.350 1.723 2.933 1.00 0.00 C ATOM 892 C MET A 57 13.218 2.536 3.880 1.00 0.00 C ATOM 893 O MET A 57 13.579 2.048 4.957 1.00 0.00 O ATOM 894 CB MET A 57 11.029 2.457 2.664 1.00 0.00 C ATOM 895 CG MET A 57 10.155 1.811 1.596 1.00 0.00 C ATOM 896 SD MET A 57 9.333 0.303 2.157 1.00 0.00 S ATOM 897 CE MET A 57 8.253 0.952 3.429 1.00 0.00 C ATOM 0 H MET A 57 11.434 0.424 4.289 1.00 0.00 H new ATOM 0 HA MET A 57 12.848 1.593 1.972 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.463 2.513 3.594 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.251 3.481 2.364 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.401 2.528 1.272 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.769 1.579 0.726 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.418 0.268 3.582 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.810 1.058 4.360 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.872 1.926 3.121 1.00 0.00 H new ATOM 907 N ASP A 58 13.568 3.753 3.501 1.00 0.00 N ATOM 908 CA ASP A 58 14.384 4.581 4.372 1.00 0.00 C ATOM 909 C ASP A 58 13.480 5.346 5.336 1.00 0.00 C ATOM 910 O ASP A 58 12.408 5.819 4.950 1.00 0.00 O ATOM 911 CB ASP A 58 15.230 5.557 3.544 1.00 0.00 C ATOM 912 CG ASP A 58 16.319 6.231 4.359 1.00 0.00 C ATOM 913 OD1 ASP A 58 16.015 7.198 5.093 1.00 0.00 O ATOM 914 OD2 ASP A 58 17.492 5.792 4.271 1.00 0.00 O ATOM 0 H ASP A 58 13.306 4.183 2.614 1.00 0.00 H new ATOM 0 HA ASP A 58 15.060 3.944 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.685 5.020 2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.580 6.319 3.114 1.00 0.00 H new ATOM 919 N PRO A 59 13.898 5.490 6.602 1.00 0.00 N ATOM 920 CA PRO A 59 13.120 6.212 7.614 1.00 0.00 C ATOM 921 C PRO A 59 12.873 7.668 7.239 1.00 0.00 C ATOM 922 O PRO A 59 11.863 8.253 7.632 1.00 0.00 O ATOM 923 CB PRO A 59 13.991 6.124 8.872 1.00 0.00 C ATOM 924 CG PRO A 59 14.869 4.944 8.640 1.00 0.00 C ATOM 925 CD PRO A 59 15.132 4.918 7.164 1.00 0.00 C ATOM 0 HA PRO A 59 12.126 5.781 7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.577 7.032 9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.382 5.995 9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.799 5.031 9.202 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.384 4.025 8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.009 5.509 6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.309 3.905 6.803 1.00 0.00 H new ATOM 933 N ARG A 60 13.779 8.250 6.463 1.00 0.00 N ATOM 934 CA ARG A 60 13.672 9.652 6.097 1.00 0.00 C ATOM 935 C ARG A 60 12.587 9.867 5.044 1.00 0.00 C ATOM 936 O ARG A 60 11.818 10.830 5.123 1.00 0.00 O ATOM 937 CB ARG A 60 15.022 10.174 5.607 1.00 0.00 C ATOM 938 CG ARG A 60 15.020 11.651 5.251 1.00 0.00 C ATOM 939 CD ARG A 60 16.435 12.189 5.096 1.00 0.00 C ATOM 940 NE ARG A 60 17.192 11.491 4.054 1.00 0.00 N ATOM 941 CZ ARG A 60 18.201 10.657 4.299 1.00 0.00 C ATOM 942 NH1 ARG A 60 18.554 10.395 5.549 1.00 0.00 N ATOM 943 NH2 ARG A 60 18.855 10.091 3.291 1.00 0.00 N ATOM 0 H ARG A 60 14.593 7.772 6.077 1.00 0.00 H new ATOM 0 HA ARG A 60 13.384 10.216 6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 60 15.770 9.998 6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.326 9.600 4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.469 11.802 4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.499 12.213 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 60 16.392 13.252 4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 60 16.961 12.096 6.046 1.00 0.00 H new ATOM 0 HE ARG A 60 16.930 11.654 3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 60 18.053 10.832 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.327 9.756 5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 60 18.585 10.295 2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 60 19.628 9.452 3.479 1.00 0.00 H new ATOM 957 N GLU A 61 12.506 8.966 4.067 1.00 0.00 N ATOM 958 CA GLU A 61 11.491 9.083 3.027 1.00 0.00 C ATOM 959 C GLU A 61 10.112 8.768 3.611 1.00 0.00 C ATOM 960 O GLU A 61 9.115 9.399 3.256 1.00 0.00 O ATOM 961 CB GLU A 61 11.808 8.175 1.825 1.00 0.00 C ATOM 962 CG GLU A 61 11.638 6.688 2.091 1.00 0.00 C ATOM 963 CD GLU A 61 12.036 5.828 0.904 1.00 0.00 C ATOM 964 OE1 GLU A 61 11.516 6.059 -0.212 1.00 0.00 O ATOM 965 OE2 GLU A 61 12.873 4.922 1.085 1.00 0.00 O ATOM 0 H GLU A 61 13.122 8.158 3.975 1.00 0.00 H new ATOM 0 HA GLU A 61 11.490 10.109 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.163 8.458 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.835 8.359 1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.240 6.407 2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.598 6.486 2.348 1.00 0.00 H new ATOM 972 N GLN A 62 10.071 7.816 4.541 1.00 0.00 N ATOM 973 CA GLN A 62 8.828 7.455 5.206 1.00 0.00 C ATOM 974 C GLN A 62 8.333 8.591 6.092 1.00 0.00 C ATOM 975 O GLN A 62 7.149 8.921 6.083 1.00 0.00 O ATOM 976 CB GLN A 62 9.006 6.189 6.044 1.00 0.00 C ATOM 977 CG GLN A 62 9.259 4.936 5.222 1.00 0.00 C ATOM 978 CD GLN A 62 9.306 3.683 6.076 1.00 0.00 C ATOM 979 OE1 GLN A 62 8.153 3.063 6.277 1.00 0.00 O flip ATOM 980 NE2 GLN A 62 10.363 3.278 6.555 1.00 0.00 N flip ATOM 0 H GLN A 62 10.885 7.283 4.848 1.00 0.00 H new ATOM 0 HA GLN A 62 8.085 7.264 4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.839 6.335 6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.114 6.039 6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.475 4.832 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.201 5.042 4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.231 3.784 6.377 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.373 2.436 7.131 1.00 0.00 H new ATOM 989 N LEU A 63 9.247 9.190 6.849 1.00 0.00 N ATOM 990 CA LEU A 63 8.900 10.286 7.746 1.00 0.00 C ATOM 991 C LEU A 63 8.301 11.454 6.968 1.00 0.00 C ATOM 992 O LEU A 63 7.289 12.022 7.369 1.00 0.00 O ATOM 993 CB LEU A 63 10.132 10.753 8.524 1.00 0.00 C ATOM 994 CG LEU A 63 9.879 11.882 9.526 1.00 0.00 C ATOM 995 CD1 LEU A 63 8.860 11.451 10.571 1.00 0.00 C ATOM 996 CD2 LEU A 63 11.177 12.304 10.192 1.00 0.00 C ATOM 0 H LEU A 63 10.234 8.934 6.859 1.00 0.00 H new ATOM 0 HA LEU A 63 8.155 9.920 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.549 9.900 9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.888 11.083 7.812 1.00 0.00 H new ATOM 0 HG LEU A 63 9.476 12.737 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.693 12.267 11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.920 11.197 10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.236 10.580 11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.978 13.108 10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.609 11.453 10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.878 12.654 9.434 1.00 0.00 H new ATOM 1008 N THR A 64 8.922 11.792 5.848 1.00 0.00 N ATOM 1009 CA THR A 64 8.441 12.881 5.006 1.00 0.00 C ATOM 1010 C THR A 64 7.058 12.556 4.436 1.00 0.00 C ATOM 1011 O THR A 64 6.226 13.447 4.246 1.00 0.00 O ATOM 1012 CB THR A 64 9.428 13.152 3.856 1.00 0.00 C ATOM 1013 OG1 THR A 64 10.761 13.255 4.375 1.00 0.00 O ATOM 1014 CG2 THR A 64 9.075 14.435 3.118 1.00 0.00 C ATOM 0 H THR A 64 9.761 11.328 5.499 1.00 0.00 H new ATOM 0 HA THR A 64 8.364 13.775 5.625 1.00 0.00 H new ATOM 0 HB THR A 64 9.365 12.321 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.120 12.357 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.790 14.599 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.071 14.351 2.702 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.111 15.275 3.811 1.00 0.00 H new ATOM 1022 N ALA A 65 6.815 11.274 4.177 1.00 0.00 N ATOM 1023 CA ALA A 65 5.520 10.823 3.692 1.00 0.00 C ATOM 1024 C ALA A 65 4.452 11.013 4.766 1.00 0.00 C ATOM 1025 O ALA A 65 3.357 11.497 4.485 1.00 0.00 O ATOM 1026 CB ALA A 65 5.589 9.366 3.255 1.00 0.00 C ATOM 0 H ALA A 65 7.502 10.530 4.296 1.00 0.00 H new ATOM 0 HA ALA A 65 5.247 11.426 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.611 9.047 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.322 9.260 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.884 8.746 4.101 1.00 0.00 H new ATOM 1032 N VAL A 66 4.786 10.645 6.000 1.00 0.00 N ATOM 1033 CA VAL A 66 3.871 10.817 7.125 1.00 0.00 C ATOM 1034 C VAL A 66 3.659 12.301 7.415 1.00 0.00 C ATOM 1035 O VAL A 66 2.556 12.727 7.757 1.00 0.00 O ATOM 1036 CB VAL A 66 4.393 10.112 8.399 1.00 0.00 C ATOM 1037 CG1 VAL A 66 3.412 10.269 9.549 1.00 0.00 C ATOM 1038 CG2 VAL A 66 4.658 8.641 8.128 1.00 0.00 C ATOM 0 H VAL A 66 5.683 10.226 6.246 1.00 0.00 H new ATOM 0 HA VAL A 66 2.922 10.359 6.845 1.00 0.00 H new ATOM 0 HB VAL A 66 5.332 10.587 8.684 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.803 9.764 10.432 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.274 11.328 9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.454 9.828 9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.024 8.164 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.734 8.157 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.406 8.545 7.341 1.00 0.00 H new ATOM 1048 N LYS A 67 4.718 13.083 7.260 1.00 0.00 N ATOM 1049 CA LYS A 67 4.649 14.523 7.459 1.00 0.00 C ATOM 1050 C LYS A 67 3.673 15.171 6.476 1.00 0.00 C ATOM 1051 O LYS A 67 2.945 16.103 6.830 1.00 0.00 O ATOM 1052 CB LYS A 67 6.048 15.130 7.327 1.00 0.00 C ATOM 1053 CG LYS A 67 6.874 15.003 8.598 1.00 0.00 C ATOM 1054 CD LYS A 67 8.192 15.756 8.504 1.00 0.00 C ATOM 1055 CE LYS A 67 8.914 15.772 9.846 1.00 0.00 C ATOM 1056 NZ LYS A 67 10.139 16.613 9.815 1.00 0.00 N ATOM 0 H LYS A 67 5.642 12.741 6.995 1.00 0.00 H new ATOM 0 HA LYS A 67 4.274 14.719 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.575 14.640 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.957 16.184 7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.299 15.384 9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.073 13.950 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.828 15.289 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.007 16.779 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.238 16.146 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.182 14.753 10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.597 16.594 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.796 16.243 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.882 17.592 9.575 1.00 0.00 H new ATOM 1070 N ASP A 68 3.657 14.670 5.248 1.00 0.00 N ATOM 1071 CA ASP A 68 2.710 15.143 4.239 1.00 0.00 C ATOM 1072 C ASP A 68 1.310 14.642 4.570 1.00 0.00 C ATOM 1073 O ASP A 68 0.327 15.382 4.495 1.00 0.00 O ATOM 1074 CB ASP A 68 3.119 14.647 2.850 1.00 0.00 C ATOM 1075 CG ASP A 68 2.261 15.227 1.738 1.00 0.00 C ATOM 1076 OD1 ASP A 68 2.576 16.339 1.259 1.00 0.00 O ATOM 1077 OD2 ASP A 68 1.287 14.566 1.322 1.00 0.00 O ATOM 0 H ASP A 68 4.287 13.937 4.924 1.00 0.00 H new ATOM 0 HA ASP A 68 2.715 16.233 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.162 14.906 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.052 13.559 2.824 1.00 0.00 H new ATOM 1082 N MET A 69 1.249 13.376 4.951 1.00 0.00 N ATOM 1083 CA MET A 69 -0.001 12.708 5.291 1.00 0.00 C ATOM 1084 C MET A 69 -0.726 13.448 6.409 1.00 0.00 C ATOM 1085 O MET A 69 -1.917 13.757 6.301 1.00 0.00 O ATOM 1086 CB MET A 69 0.313 11.281 5.740 1.00 0.00 C ATOM 1087 CG MET A 69 -0.843 10.311 5.613 1.00 0.00 C ATOM 1088 SD MET A 69 -0.379 8.643 6.117 1.00 0.00 S ATOM 1089 CE MET A 69 1.023 8.344 5.043 1.00 0.00 C ATOM 0 H MET A 69 2.071 12.777 5.034 1.00 0.00 H new ATOM 0 HA MET A 69 -0.649 12.697 4.415 1.00 0.00 H new ATOM 0 HB2 MET A 69 1.151 10.906 5.153 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.638 11.305 6.780 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.676 10.657 6.225 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.191 10.295 4.580 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.001 7.311 4.695 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.975 9.016 4.186 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.947 8.522 5.593 1.00 0.00 H new ATOM 1099 N ARG A 70 0.014 13.766 7.466 1.00 0.00 N ATOM 1100 CA ARG A 70 -0.555 14.438 8.629 1.00 0.00 C ATOM 1101 C ARG A 70 -0.963 15.866 8.287 1.00 0.00 C ATOM 1102 O ARG A 70 -1.916 16.395 8.855 1.00 0.00 O ATOM 1103 CB ARG A 70 0.440 14.446 9.793 1.00 0.00 C ATOM 1104 CG ARG A 70 -0.158 14.947 11.101 1.00 0.00 C ATOM 1105 CD ARG A 70 0.864 14.944 12.228 1.00 0.00 C ATOM 1106 NE ARG A 70 0.277 15.359 13.503 1.00 0.00 N ATOM 1107 CZ ARG A 70 0.973 15.537 14.627 1.00 0.00 C ATOM 1108 NH1 ARG A 70 2.293 15.401 14.629 1.00 0.00 N ATOM 1109 NH2 ARG A 70 0.345 15.871 15.747 1.00 0.00 N ATOM 0 H ARG A 70 1.012 13.569 7.541 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.444 13.884 8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.822 13.436 9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.291 15.073 9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.542 15.958 10.961 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.005 14.319 11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.286 13.944 12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.686 15.612 11.973 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.729 15.523 13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.782 15.159 13.767 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.819 15.539 15.492 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.668 15.991 15.747 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.875 16.008 16.608 1.00 0.00 H new ATOM 1123 N LYS A 71 -0.252 16.479 7.346 1.00 0.00 N ATOM 1124 CA LYS A 71 -0.547 17.850 6.933 1.00 0.00 C ATOM 1125 C LYS A 71 -1.956 17.943 6.359 1.00 0.00 C ATOM 1126 O LYS A 71 -2.680 18.905 6.608 1.00 0.00 O ATOM 1127 CB LYS A 71 0.459 18.322 5.883 1.00 0.00 C ATOM 1128 CG LYS A 71 0.297 19.788 5.498 1.00 0.00 C ATOM 1129 CD LYS A 71 1.154 20.160 4.297 1.00 0.00 C ATOM 1130 CE LYS A 71 2.635 19.938 4.565 1.00 0.00 C ATOM 1131 NZ LYS A 71 3.476 20.401 3.431 1.00 0.00 N ATOM 0 H LYS A 71 0.532 16.050 6.854 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.474 18.490 7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.469 18.164 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.354 17.707 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.750 19.990 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.568 20.418 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.848 19.567 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.984 21.206 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.924 20.469 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.817 18.878 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.478 20.233 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.218 19.877 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.321 21.418 3.276 1.00 0.00 H new ATOM 1145 N ASN A 72 -2.339 16.927 5.596 1.00 0.00 N ATOM 1146 CA ASN A 72 -3.658 16.896 4.974 1.00 0.00 C ATOM 1147 C ASN A 72 -4.703 16.359 5.942 1.00 0.00 C ATOM 1148 O ASN A 72 -5.903 16.583 5.771 1.00 0.00 O ATOM 1149 CB ASN A 72 -3.635 16.035 3.710 1.00 0.00 C ATOM 1150 CG ASN A 72 -2.808 16.645 2.592 1.00 0.00 C ATOM 1151 OD1 ASN A 72 -3.317 17.425 1.788 1.00 0.00 O ATOM 1152 ND2 ASN A 72 -1.532 16.290 2.518 1.00 0.00 N ATOM 0 H ASN A 72 -1.757 16.115 5.393 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.924 17.918 4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.236 15.051 3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.656 15.886 3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.940 16.666 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.143 15.641 3.202 1.00 0.00 H new ATOM 1159 N GLY A 73 -4.239 15.662 6.968 1.00 0.00 N ATOM 1160 CA GLY A 73 -5.139 15.112 7.960 1.00 0.00 C ATOM 1161 C GLY A 73 -5.387 13.633 7.753 1.00 0.00 C ATOM 1162 O GLY A 73 -6.288 13.057 8.365 1.00 0.00 O ATOM 0 H GLY A 73 -3.251 15.467 7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.722 15.273 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.088 15.646 7.922 1.00 0.00 H new ATOM 1166 N TRP A 74 -4.585 13.017 6.896 1.00 0.00 N ATOM 1167 CA TRP A 74 -4.720 11.600 6.612 1.00 0.00 C ATOM 1168 C TRP A 74 -4.029 10.771 7.686 1.00 0.00 C ATOM 1169 O TRP A 74 -3.223 11.283 8.463 1.00 0.00 O ATOM 1170 CB TRP A 74 -4.122 11.256 5.246 1.00 0.00 C ATOM 1171 CG TRP A 74 -4.822 11.896 4.083 1.00 0.00 C ATOM 1172 CD1 TRP A 74 -6.168 12.006 3.892 1.00 0.00 C ATOM 1173 CD2 TRP A 74 -4.205 12.484 2.932 1.00 0.00 C ATOM 1174 NE1 TRP A 74 -6.426 12.635 2.699 1.00 0.00 N ATOM 1175 CE2 TRP A 74 -5.238 12.936 2.089 1.00 0.00 C ATOM 1176 CE3 TRP A 74 -2.879 12.672 2.532 1.00 0.00 C ATOM 1177 CZ2 TRP A 74 -4.984 13.570 0.874 1.00 0.00 C ATOM 1178 CZ3 TRP A 74 -2.629 13.299 1.326 1.00 0.00 C ATOM 1179 CH2 TRP A 74 -3.676 13.739 0.508 1.00 0.00 C ATOM 0 H TRP A 74 -3.833 13.480 6.385 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.784 11.365 6.602 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.075 11.558 5.235 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.143 10.174 5.116 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.921 11.650 4.579 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.353 12.844 2.328 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.064 12.333 3.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.790 13.915 0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -1.608 13.452 1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.447 14.222 -0.431 1.00 0.00 H new ATOM 1190 N VAL A 75 -4.351 9.493 7.717 1.00 0.00 N ATOM 1191 CA VAL A 75 -3.739 8.564 8.648 1.00 0.00 C ATOM 1192 C VAL A 75 -3.071 7.431 7.883 1.00 0.00 C ATOM 1193 O VAL A 75 -3.411 7.172 6.724 1.00 0.00 O ATOM 1194 CB VAL A 75 -4.766 7.976 9.644 1.00 0.00 C ATOM 1195 CG1 VAL A 75 -5.367 9.077 10.505 1.00 0.00 C ATOM 1196 CG2 VAL A 75 -5.867 7.212 8.915 1.00 0.00 C ATOM 0 H VAL A 75 -5.043 9.069 7.099 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.997 9.119 9.222 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.239 7.274 10.291 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.087 8.644 11.199 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.575 9.573 11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.870 9.804 9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.574 6.811 9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.389 7.886 8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.426 6.393 8.347 1.00 0.00 H new ATOM 1206 N MET A 76 -2.121 6.769 8.524 1.00 0.00 N ATOM 1207 CA MET A 76 -1.408 5.668 7.897 1.00 0.00 C ATOM 1208 C MET A 76 -2.322 4.459 7.770 1.00 0.00 C ATOM 1209 O MET A 76 -2.754 3.888 8.772 1.00 0.00 O ATOM 1210 CB MET A 76 -0.155 5.306 8.706 1.00 0.00 C ATOM 1211 CG MET A 76 0.631 4.142 8.123 1.00 0.00 C ATOM 1212 SD MET A 76 2.084 3.715 9.107 1.00 0.00 S ATOM 1213 CE MET A 76 3.008 5.249 9.039 1.00 0.00 C ATOM 0 H MET A 76 -1.826 6.975 9.478 1.00 0.00 H new ATOM 0 HA MET A 76 -1.095 5.979 6.901 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.495 6.179 8.764 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.450 5.060 9.726 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.020 3.271 8.048 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.945 4.393 7.110 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.046 5.061 9.313 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.967 5.654 8.028 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.574 5.967 9.735 1.00 0.00 H new ATOM 1223 N LEU A 77 -2.636 4.089 6.539 1.00 0.00 N ATOM 1224 CA LEU A 77 -3.498 2.943 6.289 1.00 0.00 C ATOM 1225 C LEU A 77 -2.678 1.663 6.248 1.00 0.00 C ATOM 1226 O LEU A 77 -3.165 0.587 6.592 1.00 0.00 O ATOM 1227 CB LEU A 77 -4.258 3.124 4.972 1.00 0.00 C ATOM 1228 CG LEU A 77 -5.127 4.380 4.894 1.00 0.00 C ATOM 1229 CD1 LEU A 77 -5.837 4.447 3.552 1.00 0.00 C ATOM 1230 CD2 LEU A 77 -6.137 4.412 6.032 1.00 0.00 C ATOM 0 H LEU A 77 -2.308 4.564 5.698 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.220 2.871 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.537 3.148 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.892 2.252 4.813 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.479 5.251 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.452 5.346 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.099 4.475 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.470 3.568 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.743 5.315 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.782 3.535 5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.610 4.409 6.986 1.00 0.00 H new ATOM 1242 N GLY A 78 -1.427 1.795 5.835 1.00 0.00 N ATOM 1243 CA GLY A 78 -0.544 0.654 5.745 1.00 0.00 C ATOM 1244 C GLY A 78 0.541 0.870 4.713 1.00 0.00 C ATOM 1245 O GLY A 78 0.913 2.012 4.431 1.00 0.00 O ATOM 0 H GLY A 78 -1.005 2.682 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.090 0.467 6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.121 -0.234 5.487 1.00 0.00 H new ATOM 1249 N ASN A 79 1.028 -0.213 4.132 1.00 0.00 N ATOM 1250 CA ASN A 79 2.078 -0.141 3.125 1.00 0.00 C ATOM 1251 C ASN A 79 1.910 -1.263 2.112 1.00 0.00 C ATOM 1252 O ASN A 79 1.089 -2.164 2.301 1.00 0.00 O ATOM 1253 CB ASN A 79 3.471 -0.212 3.766 1.00 0.00 C ATOM 1254 CG ASN A 79 3.677 -1.461 4.600 1.00 0.00 C ATOM 1255 OD1 ASN A 79 4.074 -2.503 4.083 1.00 0.00 O ATOM 1256 ND2 ASN A 79 3.430 -1.363 5.900 1.00 0.00 N ATOM 0 H ASN A 79 0.712 -1.160 4.341 1.00 0.00 H new ATOM 0 HA ASN A 79 1.990 0.818 2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.228 -0.176 2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.621 0.666 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.569 -2.170 6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.101 -0.480 6.292 1.00 0.00 H new ATOM 1263 N PHE A 80 2.678 -1.207 1.038 1.00 0.00 N ATOM 1264 CA PHE A 80 2.557 -2.195 -0.023 1.00 0.00 C ATOM 1265 C PHE A 80 3.904 -2.489 -0.671 1.00 0.00 C ATOM 1266 O PHE A 80 4.836 -1.687 -0.584 1.00 0.00 O ATOM 1267 CB PHE A 80 1.558 -1.720 -1.090 1.00 0.00 C ATOM 1268 CG PHE A 80 2.021 -0.527 -1.890 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.848 0.761 -1.407 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.622 -0.697 -3.129 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.269 1.854 -2.143 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.042 0.393 -3.868 1.00 0.00 C ATOM 1273 CZ PHE A 80 2.866 1.670 -3.374 1.00 0.00 C ATOM 0 H PHE A 80 3.388 -0.493 0.877 1.00 0.00 H new ATOM 0 HA PHE A 80 2.189 -3.116 0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.356 -2.544 -1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.615 -1.472 -0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.380 0.913 -0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.763 -1.693 -3.521 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.131 2.852 -1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.508 0.246 -4.831 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.195 2.523 -3.949 1.00 0.00 H new ATOM 1283 N HIS A 81 3.994 -3.652 -1.304 1.00 0.00 N ATOM 1284 CA HIS A 81 5.123 -3.980 -2.161 1.00 0.00 C ATOM 1285 C HIS A 81 4.660 -4.926 -3.263 1.00 0.00 C ATOM 1286 O HIS A 81 3.859 -5.834 -3.022 1.00 0.00 O ATOM 1287 CB HIS A 81 6.308 -4.567 -1.375 1.00 0.00 C ATOM 1288 CG HIS A 81 6.100 -5.929 -0.779 1.00 0.00 C ATOM 1289 ND1 HIS A 81 6.610 -7.075 -1.344 1.00 0.00 N ATOM 1290 CD2 HIS A 81 5.490 -6.319 0.366 1.00 0.00 C ATOM 1291 CE1 HIS A 81 6.324 -8.106 -0.575 1.00 0.00 C ATOM 1292 NE2 HIS A 81 5.646 -7.680 0.472 1.00 0.00 N ATOM 0 H HIS A 81 3.291 -4.388 -1.238 1.00 0.00 H new ATOM 0 HA HIS A 81 5.491 -3.057 -2.609 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.171 -4.612 -2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.561 -3.876 -0.571 1.00 0.00 H new ATOM 0 HD1 HIS A 81 7.129 -7.120 -2.221 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.976 -5.678 1.067 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.600 -9.132 -0.770 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.296 -8.263 1.233 1.00 0.00 H new ATOM 1301 N SER A 82 5.147 -4.704 -4.467 1.00 0.00 N ATOM 1302 CA SER A 82 4.636 -5.400 -5.635 1.00 0.00 C ATOM 1303 C SER A 82 5.691 -6.319 -6.245 1.00 0.00 C ATOM 1304 O SER A 82 6.855 -5.941 -6.375 1.00 0.00 O ATOM 1305 CB SER A 82 4.170 -4.370 -6.665 1.00 0.00 C ATOM 1306 OG SER A 82 3.573 -4.991 -7.781 1.00 0.00 O ATOM 0 H SER A 82 5.899 -4.044 -4.665 1.00 0.00 H new ATOM 0 HA SER A 82 3.797 -6.025 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.457 -3.687 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.019 -3.770 -6.992 1.00 0.00 H new ATOM 0 HG SER A 82 3.284 -4.307 -8.420 1.00 0.00 H new ATOM 1312 N HIS A 83 5.264 -7.516 -6.643 1.00 0.00 N ATOM 1313 CA HIS A 83 6.164 -8.510 -7.215 1.00 0.00 C ATOM 1314 C HIS A 83 6.044 -8.547 -8.734 1.00 0.00 C ATOM 1315 O HIS A 83 4.948 -8.408 -9.279 1.00 0.00 O ATOM 1316 CB HIS A 83 5.854 -9.898 -6.644 1.00 0.00 C ATOM 1317 CG HIS A 83 6.532 -10.174 -5.338 1.00 0.00 C ATOM 1318 ND1 HIS A 83 5.859 -10.347 -4.150 1.00 0.00 N ATOM 1319 CD2 HIS A 83 7.842 -10.310 -5.046 1.00 0.00 C ATOM 1320 CE1 HIS A 83 6.732 -10.573 -3.184 1.00 0.00 C ATOM 1321 NE2 HIS A 83 7.948 -10.555 -3.699 1.00 0.00 N ATOM 0 H HIS A 83 4.293 -7.820 -6.578 1.00 0.00 H new ATOM 0 HA HIS A 83 7.184 -8.228 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.776 -9.995 -6.512 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.156 -10.655 -7.368 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.661 -10.239 -5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.491 -10.744 -2.145 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.817 -10.698 -3.184 1.00 0.00 H new ATOM 1330 N PRO A 84 7.172 -8.751 -9.438 1.00 0.00 N ATOM 1331 CA PRO A 84 7.188 -8.820 -10.900 1.00 0.00 C ATOM 1332 C PRO A 84 6.701 -10.167 -11.430 1.00 0.00 C ATOM 1333 O PRO A 84 5.964 -10.228 -12.409 1.00 0.00 O ATOM 1334 CB PRO A 84 8.663 -8.605 -11.243 1.00 0.00 C ATOM 1335 CG PRO A 84 9.416 -9.105 -10.057 1.00 0.00 C ATOM 1336 CD PRO A 84 8.522 -8.899 -8.858 1.00 0.00 C ATOM 0 HA PRO A 84 6.519 -8.088 -11.351 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.941 -9.150 -12.145 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.875 -7.552 -11.429 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.669 -10.159 -10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.354 -8.564 -9.938 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.571 -9.746 -8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.812 -8.014 -8.292 1.00 0.00 H new ATOM 1344 N ALA A 85 7.117 -11.242 -10.774 1.00 0.00 N ATOM 1345 CA ALA A 85 6.734 -12.583 -11.186 1.00 0.00 C ATOM 1346 C ALA A 85 6.735 -13.520 -9.987 1.00 0.00 C ATOM 1347 O ALA A 85 7.628 -14.353 -9.827 1.00 0.00 O ATOM 1348 CB ALA A 85 7.666 -13.099 -12.276 1.00 0.00 C ATOM 0 H ALA A 85 7.721 -11.210 -9.953 1.00 0.00 H new ATOM 0 HA ALA A 85 5.725 -12.546 -11.596 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.362 -14.104 -12.569 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.616 -12.437 -13.141 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.688 -13.125 -11.898 1.00 0.00 H new ATOM 1354 N THR A 86 5.760 -13.328 -9.113 1.00 0.00 N ATOM 1355 CA THR A 86 5.600 -14.156 -7.927 1.00 0.00 C ATOM 1356 C THR A 86 4.149 -14.083 -7.457 1.00 0.00 C ATOM 1357 O THR A 86 3.468 -13.091 -7.720 1.00 0.00 O ATOM 1358 CB THR A 86 6.545 -13.695 -6.792 1.00 0.00 C ATOM 1359 OG1 THR A 86 7.367 -12.612 -7.249 1.00 0.00 O ATOM 1360 CG2 THR A 86 7.443 -14.833 -6.331 1.00 0.00 C ATOM 0 H THR A 86 5.057 -12.594 -9.205 1.00 0.00 H new ATOM 0 HA THR A 86 5.858 -15.184 -8.181 1.00 0.00 H new ATOM 0 HB THR A 86 5.927 -13.370 -5.955 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.155 -12.534 -6.672 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.096 -14.480 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.829 -15.654 -5.961 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.048 -15.181 -7.168 1.00 0.00 H new ATOM 1368 N PRO A 87 3.655 -15.120 -6.763 1.00 0.00 N ATOM 1369 CA PRO A 87 2.252 -15.195 -6.335 1.00 0.00 C ATOM 1370 C PRO A 87 1.902 -14.151 -5.276 1.00 0.00 C ATOM 1371 O PRO A 87 2.773 -13.684 -4.534 1.00 0.00 O ATOM 1372 CB PRO A 87 2.127 -16.607 -5.749 1.00 0.00 C ATOM 1373 CG PRO A 87 3.334 -17.341 -6.226 1.00 0.00 C ATOM 1374 CD PRO A 87 4.408 -16.305 -6.345 1.00 0.00 C ATOM 0 HA PRO A 87 1.571 -14.998 -7.163 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.089 -16.579 -4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.212 -17.093 -6.087 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.620 -18.125 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.146 -17.824 -7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.925 -16.145 -5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.164 -16.586 -7.078 1.00 0.00 H new ATOM 1382 N ALA A 88 0.624 -13.794 -5.197 1.00 0.00 N ATOM 1383 CA ALA A 88 0.169 -12.799 -4.240 1.00 0.00 C ATOM 1384 C ALA A 88 -0.300 -13.460 -2.950 1.00 0.00 C ATOM 1385 O ALA A 88 -1.484 -13.750 -2.775 1.00 0.00 O ATOM 1386 CB ALA A 88 -0.940 -11.944 -4.838 1.00 0.00 C ATOM 0 H ALA A 88 -0.113 -14.181 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 88 1.012 -12.150 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.266 -11.206 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.567 -11.433 -5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.782 -12.580 -5.112 1.00 0.00 H new ATOM 1392 N ARG A 89 0.648 -13.733 -2.069 1.00 0.00 N ATOM 1393 CA ARG A 89 0.350 -14.317 -0.768 1.00 0.00 C ATOM 1394 C ARG A 89 1.388 -13.854 0.249 1.00 0.00 C ATOM 1395 O ARG A 89 2.511 -13.507 -0.126 1.00 0.00 O ATOM 1396 CB ARG A 89 0.335 -15.852 -0.849 1.00 0.00 C ATOM 1397 CG ARG A 89 1.692 -16.462 -1.157 1.00 0.00 C ATOM 1398 CD ARG A 89 1.692 -17.970 -0.963 1.00 0.00 C ATOM 1399 NE ARG A 89 0.922 -18.675 -1.988 1.00 0.00 N ATOM 1400 CZ ARG A 89 0.307 -19.837 -1.779 1.00 0.00 C ATOM 1401 NH1 ARG A 89 0.201 -20.316 -0.548 1.00 0.00 N ATOM 1402 NH2 ARG A 89 -0.239 -20.495 -2.792 1.00 0.00 N ATOM 0 H ARG A 89 1.640 -13.558 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.639 -13.985 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.027 -16.253 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.374 -16.159 -1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.971 -16.228 -2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.447 -16.013 -0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.720 -18.333 -0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.281 -18.205 0.019 1.00 0.00 H new ATOM 0 HE ARG A 89 0.853 -18.253 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.590 -19.795 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.270 -21.206 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.189 -20.111 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.709 -21.385 -2.628 1.00 0.00 H new ATOM 1416 N PRO A 90 1.028 -13.810 1.540 1.00 0.00 N ATOM 1417 CA PRO A 90 1.959 -13.414 2.598 1.00 0.00 C ATOM 1418 C PRO A 90 3.051 -14.459 2.816 1.00 0.00 C ATOM 1419 O PRO A 90 2.768 -15.600 3.185 1.00 0.00 O ATOM 1420 CB PRO A 90 1.069 -13.294 3.839 1.00 0.00 C ATOM 1421 CG PRO A 90 -0.104 -14.172 3.558 1.00 0.00 C ATOM 1422 CD PRO A 90 -0.312 -14.132 2.071 1.00 0.00 C ATOM 0 HA PRO A 90 2.487 -12.492 2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.597 -13.616 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.759 -12.262 4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.082 -15.191 3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.990 -13.818 4.085 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -0.675 -15.087 1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.047 -13.378 1.789 1.00 0.00 H new ATOM 1430 N SER A 91 4.292 -14.073 2.566 1.00 0.00 N ATOM 1431 CA SER A 91 5.416 -14.981 2.716 1.00 0.00 C ATOM 1432 C SER A 91 5.790 -15.130 4.189 1.00 0.00 C ATOM 1433 O SER A 91 5.322 -14.368 5.039 1.00 0.00 O ATOM 1434 CB SER A 91 6.610 -14.449 1.928 1.00 0.00 C ATOM 1435 OG SER A 91 6.183 -13.713 0.792 1.00 0.00 O ATOM 0 H SER A 91 4.546 -13.134 2.258 1.00 0.00 H new ATOM 0 HA SER A 91 5.133 -15.960 2.330 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.219 -13.813 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.241 -15.280 1.611 1.00 0.00 H new ATOM 0 HG SER A 91 6.124 -12.762 1.021 1.00 0.00 H new ATOM 1441 N ALA A 92 6.638 -16.106 4.486 1.00 0.00 N ATOM 1442 CA ALA A 92 7.106 -16.317 5.848 1.00 0.00 C ATOM 1443 C ALA A 92 7.885 -15.102 6.338 1.00 0.00 C ATOM 1444 O ALA A 92 7.725 -14.670 7.479 1.00 0.00 O ATOM 1445 CB ALA A 92 7.966 -17.568 5.928 1.00 0.00 C ATOM 0 H ALA A 92 7.015 -16.763 3.803 1.00 0.00 H new ATOM 0 HA ALA A 92 6.238 -16.454 6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.307 -17.710 6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.380 -18.433 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.829 -17.459 5.271 1.00 0.00 H new ATOM 1451 N GLU A 93 8.716 -14.551 5.461 1.00 0.00 N ATOM 1452 CA GLU A 93 9.481 -13.351 5.774 1.00 0.00 C ATOM 1453 C GLU A 93 8.552 -12.151 5.972 1.00 0.00 C ATOM 1454 O GLU A 93 8.725 -11.375 6.913 1.00 0.00 O ATOM 1455 CB GLU A 93 10.521 -13.056 4.679 1.00 0.00 C ATOM 1456 CG GLU A 93 10.017 -13.247 3.251 1.00 0.00 C ATOM 1457 CD GLU A 93 10.193 -14.668 2.743 1.00 0.00 C ATOM 1458 OE1 GLU A 93 9.381 -15.546 3.108 1.00 0.00 O ATOM 1459 OE2 GLU A 93 11.150 -14.916 1.979 1.00 0.00 O ATOM 0 H GLU A 93 8.877 -14.919 4.523 1.00 0.00 H new ATOM 0 HA GLU A 93 10.015 -13.529 6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.867 -12.029 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.385 -13.702 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.961 -12.979 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.548 -12.562 2.590 1.00 0.00 H new ATOM 1466 N ASP A 94 7.553 -12.019 5.096 1.00 0.00 N ATOM 1467 CA ASP A 94 6.565 -10.941 5.202 1.00 0.00 C ATOM 1468 C ASP A 94 5.838 -11.006 6.538 1.00 0.00 C ATOM 1469 O ASP A 94 5.617 -9.987 7.190 1.00 0.00 O ATOM 1470 CB ASP A 94 5.527 -11.023 4.074 1.00 0.00 C ATOM 1471 CG ASP A 94 6.037 -10.529 2.733 1.00 0.00 C ATOM 1472 OD1 ASP A 94 5.941 -9.312 2.467 1.00 0.00 O ATOM 1473 OD2 ASP A 94 6.495 -11.364 1.925 1.00 0.00 O ATOM 0 H ASP A 94 7.406 -12.645 4.305 1.00 0.00 H new ATOM 0 HA ASP A 94 7.108 -9.999 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.200 -12.057 3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.651 -10.439 4.356 1.00 0.00 H new ATOM 1478 N LYS A 95 5.478 -12.219 6.943 1.00 0.00 N ATOM 1479 CA LYS A 95 4.720 -12.430 8.170 1.00 0.00 C ATOM 1480 C LYS A 95 5.537 -12.033 9.401 1.00 0.00 C ATOM 1481 O LYS A 95 4.982 -11.587 10.407 1.00 0.00 O ATOM 1482 CB LYS A 95 4.275 -13.896 8.261 1.00 0.00 C ATOM 1483 CG LYS A 95 3.164 -14.147 9.271 1.00 0.00 C ATOM 1484 CD LYS A 95 3.670 -14.839 10.527 1.00 0.00 C ATOM 1485 CE LYS A 95 4.063 -16.283 10.256 1.00 0.00 C ATOM 1486 NZ LYS A 95 4.344 -17.025 11.513 1.00 0.00 N ATOM 0 H LYS A 95 5.701 -13.075 6.436 1.00 0.00 H new ATOM 0 HA LYS A 95 3.836 -11.793 8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.938 -14.224 7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.136 -14.510 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.702 -13.198 9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.388 -14.758 8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.529 -14.296 10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.897 -14.811 11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.261 -16.782 9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.945 -16.305 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.608 -18.005 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.126 -16.564 12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.495 -17.026 12.113 1.00 0.00 H new ATOM 1500 N ARG A 96 6.856 -12.192 9.317 1.00 0.00 N ATOM 1501 CA ARG A 96 7.740 -11.798 10.412 1.00 0.00 C ATOM 1502 C ARG A 96 7.898 -10.281 10.449 1.00 0.00 C ATOM 1503 O ARG A 96 7.957 -9.674 11.521 1.00 0.00 O ATOM 1504 CB ARG A 96 9.121 -12.441 10.274 1.00 0.00 C ATOM 1505 CG ARG A 96 9.103 -13.955 10.170 1.00 0.00 C ATOM 1506 CD ARG A 96 10.512 -14.518 10.249 1.00 0.00 C ATOM 1507 NE ARG A 96 10.601 -15.881 9.728 1.00 0.00 N ATOM 1508 CZ ARG A 96 10.896 -16.953 10.463 1.00 0.00 C ATOM 1509 NH1 ARG A 96 11.022 -16.855 11.779 1.00 0.00 N ATOM 1510 NH2 ARG A 96 11.042 -18.133 9.877 1.00 0.00 N ATOM 0 H ARG A 96 7.334 -12.588 8.508 1.00 0.00 H new ATOM 0 HA ARG A 96 7.283 -12.144 11.339 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.610 -12.034 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.728 -12.156 11.133 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.494 -14.372 10.972 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.639 -14.254 9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.189 -13.873 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.847 -14.507 11.286 1.00 0.00 H new ATOM 0 HE ARG A 96 10.425 -16.021 8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.893 -15.953 12.238 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.248 -17.681 12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.929 -18.218 8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.268 -18.956 10.436 1.00 0.00 H new ATOM 1524 N LEU A 97 7.946 -9.674 9.268 1.00 0.00 N ATOM 1525 CA LEU A 97 8.191 -8.243 9.136 1.00 0.00 C ATOM 1526 C LEU A 97 6.919 -7.429 9.369 1.00 0.00 C ATOM 1527 O LEU A 97 6.886 -6.230 9.104 1.00 0.00 O ATOM 1528 CB LEU A 97 8.757 -7.934 7.749 1.00 0.00 C ATOM 1529 CG LEU A 97 10.116 -8.567 7.445 1.00 0.00 C ATOM 1530 CD1 LEU A 97 10.567 -8.209 6.038 1.00 0.00 C ATOM 1531 CD2 LEU A 97 11.157 -8.128 8.466 1.00 0.00 C ATOM 0 H LEU A 97 7.817 -10.158 8.379 1.00 0.00 H new ATOM 0 HA LEU A 97 8.916 -7.959 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.041 -8.270 6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.846 -6.853 7.643 1.00 0.00 H new ATOM 0 HG LEU A 97 10.010 -9.650 7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.536 -8.668 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.836 -8.576 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.653 -7.126 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.116 -8.590 8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.260 -7.043 8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.841 -8.436 9.463 1.00 0.00 H new ATOM 1543 N ALA A 98 5.882 -8.084 9.868 1.00 0.00 N ATOM 1544 CA ALA A 98 4.634 -7.413 10.183 1.00 0.00 C ATOM 1545 C ALA A 98 4.770 -6.630 11.481 1.00 0.00 C ATOM 1546 O ALA A 98 4.667 -7.188 12.576 1.00 0.00 O ATOM 1547 CB ALA A 98 3.497 -8.420 10.283 1.00 0.00 C ATOM 0 H ALA A 98 5.882 -9.085 10.064 1.00 0.00 H new ATOM 0 HA ALA A 98 4.402 -6.715 9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.569 -7.899 10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.388 -8.941 9.332 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.718 -9.142 11.069 1.00 0.00 H new ATOM 1553 N PHE A 99 5.048 -5.348 11.348 1.00 0.00 N ATOM 1554 CA PHE A 99 5.188 -4.468 12.499 1.00 0.00 C ATOM 1555 C PHE A 99 3.852 -3.827 12.844 1.00 0.00 C ATOM 1556 O PHE A 99 3.639 -3.368 13.970 1.00 0.00 O ATOM 1557 CB PHE A 99 6.232 -3.383 12.222 1.00 0.00 C ATOM 1558 CG PHE A 99 7.602 -3.922 11.903 1.00 0.00 C ATOM 1559 CD1 PHE A 99 8.346 -4.576 12.872 1.00 0.00 C ATOM 1560 CD2 PHE A 99 8.143 -3.779 10.634 1.00 0.00 C ATOM 1561 CE1 PHE A 99 9.602 -5.076 12.585 1.00 0.00 C ATOM 1562 CE2 PHE A 99 9.399 -4.278 10.340 1.00 0.00 C ATOM 1563 CZ PHE A 99 10.130 -4.927 11.317 1.00 0.00 C ATOM 0 H PHE A 99 5.183 -4.887 10.448 1.00 0.00 H new ATOM 0 HA PHE A 99 5.521 -5.066 13.347 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.891 -2.769 11.389 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.303 -2.730 13.092 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.939 -4.697 13.865 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.577 -3.272 9.866 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.170 -5.583 13.351 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.808 -4.161 9.347 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.111 -5.317 11.090 1.00 0.00 H new ATOM 1573 N ASP A 100 2.952 -3.805 11.874 1.00 0.00 N ATOM 1574 CA ASP A 100 1.642 -3.203 12.055 1.00 0.00 C ATOM 1575 C ASP A 100 0.618 -4.286 12.364 1.00 0.00 C ATOM 1576 O ASP A 100 0.697 -5.387 11.825 1.00 0.00 O ATOM 1577 CB ASP A 100 1.223 -2.436 10.796 1.00 0.00 C ATOM 1578 CG ASP A 100 2.254 -1.412 10.355 1.00 0.00 C ATOM 1579 OD1 ASP A 100 2.370 -0.358 11.011 1.00 0.00 O ATOM 1580 OD2 ASP A 100 2.942 -1.655 9.338 1.00 0.00 O ATOM 0 H ASP A 100 3.107 -4.200 10.947 1.00 0.00 H new ATOM 0 HA ASP A 100 1.692 -2.502 12.888 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.053 -3.144 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.275 -1.932 10.983 1.00 0.00 H new ATOM 1585 N PRO A 101 -0.358 -3.990 13.233 1.00 0.00 N ATOM 1586 CA PRO A 101 -1.360 -4.962 13.649 1.00 0.00 C ATOM 1587 C PRO A 101 -2.595 -4.998 12.743 1.00 0.00 C ATOM 1588 O PRO A 101 -2.994 -6.061 12.260 1.00 0.00 O ATOM 1589 CB PRO A 101 -1.738 -4.488 15.053 1.00 0.00 C ATOM 1590 CG PRO A 101 -1.332 -3.044 15.145 1.00 0.00 C ATOM 1591 CD PRO A 101 -0.547 -2.697 13.902 1.00 0.00 C ATOM 0 HA PRO A 101 -0.970 -5.979 13.605 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -2.809 -4.601 15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -1.229 -5.082 15.812 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.212 -2.406 15.230 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -0.728 -2.875 16.036 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.090 -1.995 13.269 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.407 -2.231 14.149 1.00 0.00 H new ATOM 1599 N SER A 102 -3.203 -3.843 12.517 1.00 0.00 N ATOM 1600 CA SER A 102 -4.446 -3.778 11.761 1.00 0.00 C ATOM 1601 C SER A 102 -4.308 -2.858 10.554 1.00 0.00 C ATOM 1602 O SER A 102 -5.303 -2.408 9.988 1.00 0.00 O ATOM 1603 CB SER A 102 -5.576 -3.302 12.670 1.00 0.00 C ATOM 1604 OG SER A 102 -5.680 -4.134 13.814 1.00 0.00 O ATOM 0 H SER A 102 -2.858 -2.941 12.845 1.00 0.00 H new ATOM 0 HA SER A 102 -4.680 -4.776 11.391 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.393 -2.272 12.978 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.518 -3.308 12.122 1.00 0.00 H new ATOM 0 HG SER A 102 -6.408 -3.814 14.386 1.00 0.00 H new ATOM 1610 N LEU A 103 -3.075 -2.597 10.155 1.00 0.00 N ATOM 1611 CA LEU A 103 -2.825 -1.781 8.980 1.00 0.00 C ATOM 1612 C LEU A 103 -2.709 -2.672 7.752 1.00 0.00 C ATOM 1613 O LEU A 103 -2.217 -3.798 7.837 1.00 0.00 O ATOM 1614 CB LEU A 103 -1.572 -0.924 9.160 1.00 0.00 C ATOM 1615 CG LEU A 103 -1.654 0.108 10.289 1.00 0.00 C ATOM 1616 CD1 LEU A 103 -0.444 1.024 10.267 1.00 0.00 C ATOM 1617 CD2 LEU A 103 -2.939 0.916 10.185 1.00 0.00 C ATOM 0 H LEU A 103 -2.236 -2.936 10.625 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.665 -1.100 8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.724 -1.582 9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.369 -0.403 8.225 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.661 -0.426 11.239 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.522 1.749 11.077 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.462 0.433 10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.402 1.549 9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.978 1.643 10.996 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.964 1.438 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -3.796 0.247 10.256 1.00 0.00 H new ATOM 1629 N SER A 104 -3.170 -2.168 6.621 1.00 0.00 N ATOM 1630 CA SER A 104 -3.303 -2.973 5.421 1.00 0.00 C ATOM 1631 C SER A 104 -1.973 -3.147 4.692 1.00 0.00 C ATOM 1632 O SER A 104 -1.404 -2.186 4.165 1.00 0.00 O ATOM 1633 CB SER A 104 -4.343 -2.334 4.496 1.00 0.00 C ATOM 1634 OG SER A 104 -4.058 -0.962 4.276 1.00 0.00 O ATOM 0 H SER A 104 -3.461 -1.197 6.509 1.00 0.00 H new ATOM 0 HA SER A 104 -3.632 -3.969 5.717 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.359 -2.862 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.336 -2.436 4.934 1.00 0.00 H new ATOM 0 HG SER A 104 -3.101 -0.851 4.096 1.00 0.00 H new ATOM 1640 N TYR A 105 -1.470 -4.376 4.691 1.00 0.00 N ATOM 1641 CA TYR A 105 -0.321 -4.735 3.872 1.00 0.00 C ATOM 1642 C TYR A 105 -0.801 -5.190 2.500 1.00 0.00 C ATOM 1643 O TYR A 105 -1.501 -6.193 2.388 1.00 0.00 O ATOM 1644 CB TYR A 105 0.493 -5.857 4.526 1.00 0.00 C ATOM 1645 CG TYR A 105 1.242 -5.441 5.772 1.00 0.00 C ATOM 1646 CD1 TYR A 105 2.473 -4.810 5.676 1.00 0.00 C ATOM 1647 CD2 TYR A 105 0.726 -5.686 7.039 1.00 0.00 C ATOM 1648 CE1 TYR A 105 3.171 -4.431 6.804 1.00 0.00 C ATOM 1649 CE2 TYR A 105 1.420 -5.309 8.173 1.00 0.00 C ATOM 1650 CZ TYR A 105 2.643 -4.681 8.048 1.00 0.00 C ATOM 1651 OH TYR A 105 3.338 -4.299 9.170 1.00 0.00 O ATOM 0 H TYR A 105 -1.843 -5.143 5.251 1.00 0.00 H new ATOM 0 HA TYR A 105 0.320 -3.859 3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -0.179 -6.677 4.778 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.208 -6.242 3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 105 2.893 -4.612 4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -0.230 -6.178 7.139 1.00 0.00 H new ATOM 0 HE1 TYR A 105 4.128 -3.940 6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 105 1.008 -5.505 9.152 1.00 0.00 H new ATOM 0 HH TYR A 105 3.502 -3.333 9.140 1.00 0.00 H new ATOM 1661 N LEU A 106 -0.455 -4.444 1.466 1.00 0.00 N ATOM 1662 CA LEU A 106 -0.876 -4.789 0.114 1.00 0.00 C ATOM 1663 C LEU A 106 0.232 -5.502 -0.646 1.00 0.00 C ATOM 1664 O LEU A 106 1.379 -5.051 -0.679 1.00 0.00 O ATOM 1665 CB LEU A 106 -1.322 -3.545 -0.664 1.00 0.00 C ATOM 1666 CG LEU A 106 -2.775 -3.102 -0.449 1.00 0.00 C ATOM 1667 CD1 LEU A 106 -3.008 -2.666 0.985 1.00 0.00 C ATOM 1668 CD2 LEU A 106 -3.135 -1.982 -1.413 1.00 0.00 C ATOM 0 H LEU A 106 0.113 -3.599 1.532 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.725 -5.466 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.667 -2.717 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.174 -3.734 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.422 -3.956 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.046 -2.358 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.795 -3.497 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.351 -1.830 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.169 -1.678 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.476 -1.131 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.019 -2.333 -2.438 1.00 0.00 H new ATOM 1680 N ILE A 107 -0.121 -6.625 -1.247 1.00 0.00 N ATOM 1681 CA ILE A 107 0.794 -7.369 -2.098 1.00 0.00 C ATOM 1682 C ILE A 107 0.216 -7.456 -3.504 1.00 0.00 C ATOM 1683 O ILE A 107 -0.911 -7.918 -3.691 1.00 0.00 O ATOM 1684 CB ILE A 107 1.060 -8.793 -1.554 1.00 0.00 C ATOM 1685 CG1 ILE A 107 1.651 -8.721 -0.142 1.00 0.00 C ATOM 1686 CG2 ILE A 107 1.999 -9.553 -2.485 1.00 0.00 C ATOM 1687 CD1 ILE A 107 1.867 -10.077 0.496 1.00 0.00 C ATOM 0 H ILE A 107 -1.046 -7.046 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 107 1.746 -6.839 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 107 0.112 -9.329 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.603 -8.192 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.987 -8.133 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.175 -10.552 -2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.547 -9.630 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.947 -9.020 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.287 -9.947 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.914 -10.601 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.556 -10.661 -0.115 1.00 0.00 H new ATOM 1699 N ILE A 108 0.973 -6.987 -4.482 1.00 0.00 N ATOM 1700 CA ILE A 108 0.507 -6.972 -5.858 1.00 0.00 C ATOM 1701 C ILE A 108 1.255 -8.009 -6.690 1.00 0.00 C ATOM 1702 O ILE A 108 2.468 -8.185 -6.538 1.00 0.00 O ATOM 1703 CB ILE A 108 0.684 -5.575 -6.494 1.00 0.00 C ATOM 1704 CG1 ILE A 108 0.130 -4.487 -5.567 1.00 0.00 C ATOM 1705 CG2 ILE A 108 -0.011 -5.515 -7.847 1.00 0.00 C ATOM 1706 CD1 ILE A 108 0.379 -3.075 -6.060 1.00 0.00 C ATOM 0 H ILE A 108 1.912 -6.612 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.555 -7.218 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 108 1.750 -5.398 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.943 -4.636 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.578 -4.601 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.123 -4.524 -8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.420 -6.264 -8.511 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.075 -5.714 -7.719 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.042 -2.362 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.452 -2.905 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.093 -2.941 -7.033 1.00 0.00 H new ATOM 1718 N SER A 109 0.526 -8.702 -7.548 1.00 0.00 N ATOM 1719 CA SER A 109 1.110 -9.702 -8.423 1.00 0.00 C ATOM 1720 C SER A 109 1.092 -9.225 -9.873 1.00 0.00 C ATOM 1721 O SER A 109 0.023 -9.056 -10.465 1.00 0.00 O ATOM 1722 CB SER A 109 0.337 -11.015 -8.288 1.00 0.00 C ATOM 1723 OG SER A 109 0.755 -11.967 -9.250 1.00 0.00 O ATOM 0 H SER A 109 -0.482 -8.588 -7.657 1.00 0.00 H new ATOM 0 HA SER A 109 2.148 -9.863 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.481 -11.421 -7.287 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.730 -10.824 -8.404 1.00 0.00 H new ATOM 0 HG SER A 109 1.593 -12.382 -8.957 1.00 0.00 H new ATOM 1729 N LEU A 110 2.276 -8.993 -10.434 1.00 0.00 N ATOM 1730 CA LEU A 110 2.396 -8.617 -11.839 1.00 0.00 C ATOM 1731 C LEU A 110 2.728 -9.829 -12.701 1.00 0.00 C ATOM 1732 O LEU A 110 3.132 -9.686 -13.856 1.00 0.00 O ATOM 1733 CB LEU A 110 3.460 -7.527 -12.035 1.00 0.00 C ATOM 1734 CG LEU A 110 2.953 -6.081 -11.922 1.00 0.00 C ATOM 1735 CD1 LEU A 110 1.842 -5.831 -12.929 1.00 0.00 C ATOM 1736 CD2 LEU A 110 2.466 -5.782 -10.515 1.00 0.00 C ATOM 0 H LEU A 110 3.165 -9.059 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 110 1.432 -8.217 -12.153 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.248 -7.676 -11.297 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.914 -7.659 -13.017 1.00 0.00 H new ATOM 0 HG LEU A 110 3.785 -5.412 -12.142 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.493 -4.803 -12.837 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.221 -5.997 -13.937 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.015 -6.514 -12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.113 -4.752 -10.463 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.650 -6.459 -10.261 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.285 -5.920 -9.809 1.00 0.00 H new ATOM 1748 N ALA A 111 2.543 -11.023 -12.134 1.00 0.00 N ATOM 1749 CA ALA A 111 2.730 -12.266 -12.877 1.00 0.00 C ATOM 1750 C ALA A 111 1.734 -12.337 -14.027 1.00 0.00 C ATOM 1751 O ALA A 111 1.986 -12.956 -15.061 1.00 0.00 O ATOM 1752 CB ALA A 111 2.566 -13.463 -11.952 1.00 0.00 C ATOM 0 H ALA A 111 2.264 -11.153 -11.162 1.00 0.00 H new ATOM 0 HA ALA A 111 3.740 -12.286 -13.287 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.708 -14.383 -12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.307 -13.410 -11.154 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.566 -13.454 -11.519 1.00 0.00 H new ATOM 1758 N GLU A 112 0.599 -11.685 -13.827 1.00 0.00 N ATOM 1759 CA GLU A 112 -0.410 -11.532 -14.861 1.00 0.00 C ATOM 1760 C GLU A 112 -0.394 -10.078 -15.332 1.00 0.00 C ATOM 1761 O GLU A 112 -1.109 -9.237 -14.793 1.00 0.00 O ATOM 1762 CB GLU A 112 -1.788 -11.922 -14.320 1.00 0.00 C ATOM 1763 CG GLU A 112 -2.773 -12.340 -15.395 1.00 0.00 C ATOM 1764 CD GLU A 112 -2.278 -13.525 -16.195 1.00 0.00 C ATOM 1765 OE1 GLU A 112 -2.153 -14.626 -15.622 1.00 0.00 O ATOM 1766 OE2 GLU A 112 -2.007 -13.363 -17.401 1.00 0.00 O ATOM 0 H GLU A 112 0.352 -11.246 -12.940 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.193 -12.190 -15.703 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.671 -12.741 -13.610 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.203 -11.079 -13.768 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.728 -12.589 -14.933 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.953 -11.500 -16.066 1.00 0.00 H new ATOM 1773 N PRO A 113 0.464 -9.757 -16.315 1.00 0.00 N ATOM 1774 CA PRO A 113 0.816 -8.370 -16.659 1.00 0.00 C ATOM 1775 C PRO A 113 -0.350 -7.501 -17.107 1.00 0.00 C ATOM 1776 O PRO A 113 -0.335 -6.283 -16.912 1.00 0.00 O ATOM 1777 CB PRO A 113 1.837 -8.521 -17.796 1.00 0.00 C ATOM 1778 CG PRO A 113 2.316 -9.930 -17.711 1.00 0.00 C ATOM 1779 CD PRO A 113 1.160 -10.723 -17.177 1.00 0.00 C ATOM 0 HA PRO A 113 1.191 -7.852 -15.776 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.380 -8.319 -18.765 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.662 -7.818 -17.680 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.624 -10.298 -18.690 1.00 0.00 H new ATOM 0 HG3 PRO A 113 3.182 -10.010 -17.054 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.516 -11.086 -17.978 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.494 -11.596 -16.616 1.00 0.00 H new ATOM 1787 N GLN A 114 -1.346 -8.105 -17.708 1.00 0.00 N ATOM 1788 CA GLN A 114 -2.489 -7.354 -18.185 1.00 0.00 C ATOM 1789 C GLN A 114 -3.623 -7.405 -17.173 1.00 0.00 C ATOM 1790 O GLN A 114 -4.589 -6.644 -17.269 1.00 0.00 O ATOM 1791 CB GLN A 114 -2.955 -7.888 -19.538 1.00 0.00 C ATOM 1792 CG GLN A 114 -1.875 -7.849 -20.610 1.00 0.00 C ATOM 1793 CD GLN A 114 -1.252 -6.475 -20.774 1.00 0.00 C ATOM 1794 OE1 GLN A 114 -1.900 -5.450 -20.557 1.00 0.00 O ATOM 1795 NE2 GLN A 114 0.015 -6.445 -21.147 1.00 0.00 N ATOM 0 H GLN A 114 -1.392 -9.109 -17.879 1.00 0.00 H new ATOM 0 HA GLN A 114 -2.187 -6.314 -18.311 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -3.298 -8.915 -19.416 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -3.812 -7.304 -19.875 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -1.095 -8.568 -20.359 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -2.304 -8.163 -21.562 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.517 -7.316 -21.317 1.00 0.00 H new ATOM 0 HE22 GLN A 114 0.491 -5.551 -21.265 1.00 0.00 H new ATOM 1804 N LYS A 115 -3.485 -8.284 -16.184 1.00 0.00 N ATOM 1805 CA LYS A 115 -4.518 -8.484 -15.175 1.00 0.00 C ATOM 1806 C LYS A 115 -3.889 -8.654 -13.790 1.00 0.00 C ATOM 1807 O LYS A 115 -3.948 -9.741 -13.207 1.00 0.00 O ATOM 1808 CB LYS A 115 -5.362 -9.718 -15.512 1.00 0.00 C ATOM 1809 CG LYS A 115 -6.150 -9.600 -16.809 1.00 0.00 C ATOM 1810 CD LYS A 115 -7.175 -8.479 -16.739 1.00 0.00 C ATOM 1811 CE LYS A 115 -7.832 -8.243 -18.087 1.00 0.00 C ATOM 1812 NZ LYS A 115 -8.574 -9.436 -18.567 1.00 0.00 N ATOM 0 H LYS A 115 -2.661 -8.872 -16.061 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.161 -7.604 -15.167 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.706 -10.586 -15.576 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.057 -9.903 -14.693 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.465 -9.417 -17.637 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.655 -10.544 -17.016 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.937 -8.726 -16.000 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.691 -7.562 -16.403 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.516 -7.398 -18.013 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.070 -7.973 -18.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.061 -9.207 -19.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.907 -10.218 -18.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.274 -9.720 -17.852 1.00 0.00 H new ATOM 1826 N PRO A 116 -3.274 -7.588 -13.250 1.00 0.00 N ATOM 1827 CA PRO A 116 -2.558 -7.645 -11.971 1.00 0.00 C ATOM 1828 C PRO A 116 -3.505 -7.770 -10.783 1.00 0.00 C ATOM 1829 O PRO A 116 -4.446 -6.987 -10.639 1.00 0.00 O ATOM 1830 CB PRO A 116 -1.797 -6.307 -11.915 1.00 0.00 C ATOM 1831 CG PRO A 116 -1.957 -5.691 -13.267 1.00 0.00 C ATOM 1832 CD PRO A 116 -3.235 -6.239 -13.821 1.00 0.00 C ATOM 0 HA PRO A 116 -1.908 -8.518 -11.912 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -2.203 -5.658 -11.139 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -0.745 -6.465 -11.679 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -1.996 -4.604 -13.198 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -1.114 -5.940 -13.911 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.097 -5.645 -13.518 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.229 -6.259 -14.911 1.00 0.00 H new ATOM 1840 N VAL A 117 -3.258 -8.755 -9.932 1.00 0.00 N ATOM 1841 CA VAL A 117 -4.090 -8.959 -8.759 1.00 0.00 C ATOM 1842 C VAL A 117 -3.416 -8.371 -7.528 1.00 0.00 C ATOM 1843 O VAL A 117 -2.274 -8.712 -7.214 1.00 0.00 O ATOM 1844 CB VAL A 117 -4.375 -10.459 -8.514 1.00 0.00 C ATOM 1845 CG1 VAL A 117 -5.277 -10.647 -7.300 1.00 0.00 C ATOM 1846 CG2 VAL A 117 -4.989 -11.098 -9.757 1.00 0.00 C ATOM 0 H VAL A 117 -2.492 -9.421 -10.032 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.038 -8.454 -8.941 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.429 -10.959 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.464 -11.710 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.790 -10.233 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.223 -10.132 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.183 -12.153 -9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.925 -10.596 -10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -4.298 -11.002 -10.595 1.00 0.00 H new ATOM 1856 N CYS A 118 -4.113 -7.467 -6.857 1.00 0.00 N ATOM 1857 CA CYS A 118 -3.626 -6.891 -5.615 1.00 0.00 C ATOM 1858 C CYS A 118 -4.536 -7.287 -4.458 1.00 0.00 C ATOM 1859 O CYS A 118 -5.759 -7.177 -4.558 1.00 0.00 O ATOM 1860 CB CYS A 118 -3.548 -5.366 -5.732 1.00 0.00 C ATOM 1861 SG CYS A 118 -5.105 -4.583 -6.211 1.00 0.00 S ATOM 0 H CYS A 118 -5.023 -7.115 -7.155 1.00 0.00 H new ATOM 0 HA CYS A 118 -2.625 -7.277 -5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -3.226 -4.955 -4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -2.783 -5.107 -6.464 1.00 0.00 H new ATOM 0 HG CYS A 118 -6.100 -5.261 -5.722 1.00 0.00 H new ATOM 1867 N LYS A 119 -3.946 -7.764 -3.374 1.00 0.00 N ATOM 1868 CA LYS A 119 -4.709 -8.085 -2.177 1.00 0.00 C ATOM 1869 C LYS A 119 -4.086 -7.416 -0.967 1.00 0.00 C ATOM 1870 O LYS A 119 -2.948 -6.948 -1.021 1.00 0.00 O ATOM 1871 CB LYS A 119 -4.780 -9.595 -1.932 1.00 0.00 C ATOM 1872 CG LYS A 119 -5.542 -10.378 -2.990 1.00 0.00 C ATOM 1873 CD LYS A 119 -5.606 -11.855 -2.633 1.00 0.00 C ATOM 1874 CE LYS A 119 -6.409 -12.656 -3.647 1.00 0.00 C ATOM 1875 NZ LYS A 119 -7.838 -12.241 -3.699 1.00 0.00 N ATOM 0 H LYS A 119 -2.944 -7.937 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.723 -7.715 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.765 -9.987 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.248 -9.770 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.552 -9.979 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.057 -10.255 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.595 -12.257 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.053 -11.970 -1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.963 -12.537 -4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.351 -13.715 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.376 -12.921 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.228 -12.217 -2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.909 -11.295 -4.125 1.00 0.00 H new ATOM 1889 N SER A 120 -4.832 -7.380 0.118 1.00 0.00 N ATOM 1890 CA SER A 120 -4.344 -6.820 1.360 1.00 0.00 C ATOM 1891 C SER A 120 -4.423 -7.873 2.456 1.00 0.00 C ATOM 1892 O SER A 120 -5.356 -8.672 2.491 1.00 0.00 O ATOM 1893 CB SER A 120 -5.152 -5.581 1.747 1.00 0.00 C ATOM 1894 OG SER A 120 -4.587 -4.934 2.871 1.00 0.00 O ATOM 0 H SER A 120 -5.787 -7.736 0.164 1.00 0.00 H new ATOM 0 HA SER A 120 -3.305 -6.516 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.188 -4.889 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 120 -6.180 -5.868 1.968 1.00 0.00 H new ATOM 0 HG SER A 120 -3.637 -5.167 2.939 1.00 0.00 H new ATOM 1900 N PHE A 121 -3.433 -7.897 3.328 1.00 0.00 N ATOM 1901 CA PHE A 121 -3.402 -8.872 4.398 1.00 0.00 C ATOM 1902 C PHE A 121 -3.146 -8.195 5.737 1.00 0.00 C ATOM 1903 O PHE A 121 -2.230 -7.384 5.869 1.00 0.00 O ATOM 1904 CB PHE A 121 -2.319 -9.921 4.129 1.00 0.00 C ATOM 1905 CG PHE A 121 -2.482 -10.634 2.814 1.00 0.00 C ATOM 1906 CD1 PHE A 121 -3.370 -11.689 2.688 1.00 0.00 C ATOM 1907 CD2 PHE A 121 -1.747 -10.246 1.704 1.00 0.00 C ATOM 1908 CE1 PHE A 121 -3.524 -12.344 1.481 1.00 0.00 C ATOM 1909 CE2 PHE A 121 -1.896 -10.898 0.493 1.00 0.00 C ATOM 1910 CZ PHE A 121 -2.785 -11.948 0.382 1.00 0.00 C ATOM 0 H PHE A 121 -2.642 -7.253 3.316 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.373 -9.365 4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.343 -9.437 4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.329 -10.655 4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -3.949 -12.004 3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -1.050 -9.425 1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.221 -13.165 1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -1.318 -10.586 -0.364 1.00 0.00 H new ATOM 0 HZ PHE A 121 -2.903 -12.459 -0.562 1.00 0.00 H new ATOM 1920 N LEU A 122 -3.975 -8.517 6.716 1.00 0.00 N ATOM 1921 CA LEU A 122 -3.755 -8.067 8.078 1.00 0.00 C ATOM 1922 C LEU A 122 -3.034 -9.165 8.836 1.00 0.00 C ATOM 1923 O LEU A 122 -3.625 -10.197 9.164 1.00 0.00 O ATOM 1924 CB LEU A 122 -5.088 -7.743 8.767 1.00 0.00 C ATOM 1925 CG LEU A 122 -5.953 -6.690 8.069 1.00 0.00 C ATOM 1926 CD1 LEU A 122 -7.253 -6.484 8.832 1.00 0.00 C ATOM 1927 CD2 LEU A 122 -5.199 -5.374 7.930 1.00 0.00 C ATOM 0 H LEU A 122 -4.809 -9.091 6.591 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.154 -7.158 8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.666 -8.663 8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.879 -7.402 9.781 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.191 -7.050 7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.858 -5.733 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.803 -7.424 8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -7.031 -6.147 9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.834 -4.642 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.927 -5.005 8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.296 -5.533 7.340 1.00 0.00 H new ATOM 1939 N ILE A 123 -1.762 -8.952 9.106 1.00 0.00 N ATOM 1940 CA ILE A 123 -0.946 -9.984 9.717 1.00 0.00 C ATOM 1941 C ILE A 123 -0.875 -9.802 11.225 1.00 0.00 C ATOM 1942 O ILE A 123 -0.325 -8.821 11.721 1.00 0.00 O ATOM 1943 CB ILE A 123 0.480 -9.999 9.130 1.00 0.00 C ATOM 1944 CG1 ILE A 123 0.424 -10.104 7.602 1.00 0.00 C ATOM 1945 CG2 ILE A 123 1.277 -11.157 9.712 1.00 0.00 C ATOM 1946 CD1 ILE A 123 1.785 -10.057 6.932 1.00 0.00 C ATOM 0 H ILE A 123 -1.272 -8.078 8.914 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.422 -10.940 9.496 1.00 0.00 H new ATOM 0 HB ILE A 123 0.978 -9.066 9.396 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.072 -11.036 7.330 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.189 -9.291 7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.282 -11.156 9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 123 1.339 -11.048 10.795 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.782 -12.097 9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.662 -10.137 5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.277 -9.114 7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.396 -10.886 7.290 1.00 0.00 H new ATOM 1958 N LYS A 124 -1.449 -10.748 11.945 1.00 0.00 N ATOM 1959 CA LYS A 124 -1.417 -10.733 13.393 1.00 0.00 C ATOM 1960 C LYS A 124 -0.342 -11.687 13.896 1.00 0.00 C ATOM 1961 O LYS A 124 0.416 -12.256 13.107 1.00 0.00 O ATOM 1962 CB LYS A 124 -2.779 -11.143 13.959 1.00 0.00 C ATOM 1963 CG LYS A 124 -3.899 -10.154 13.677 1.00 0.00 C ATOM 1964 CD LYS A 124 -3.652 -8.817 14.357 1.00 0.00 C ATOM 1965 CE LYS A 124 -4.869 -7.907 14.267 1.00 0.00 C ATOM 1966 NZ LYS A 124 -5.249 -7.611 12.860 1.00 0.00 N ATOM 0 H LYS A 124 -1.947 -11.543 11.544 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.187 -9.722 13.728 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -3.054 -12.113 13.545 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -2.687 -11.272 15.037 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -3.990 -10.004 12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.846 -10.569 14.022 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -3.398 -8.983 15.404 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -2.795 -8.326 13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -5.710 -8.377 14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -4.661 -6.973 14.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -6.092 -7.002 12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -4.464 -7.123 12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -5.457 -8.500 12.362 1.00 0.00 H new ATOM 1980 N LYS A 125 -0.271 -11.845 15.208 1.00 0.00 N ATOM 1981 CA LYS A 125 0.623 -12.816 15.815 1.00 0.00 C ATOM 1982 C LYS A 125 0.220 -14.220 15.397 1.00 0.00 C ATOM 1983 O LYS A 125 1.021 -14.992 14.866 1.00 0.00 O ATOM 1984 CB LYS A 125 0.549 -12.709 17.337 1.00 0.00 C ATOM 1985 CG LYS A 125 1.530 -13.611 18.064 1.00 0.00 C ATOM 1986 CD LYS A 125 1.249 -13.646 19.555 1.00 0.00 C ATOM 1987 CE LYS A 125 2.158 -14.631 20.270 1.00 0.00 C ATOM 1988 NZ LYS A 125 1.780 -14.790 21.695 1.00 0.00 N ATOM 0 H LYS A 125 -0.826 -11.309 15.876 1.00 0.00 H new ATOM 0 HA LYS A 125 1.641 -12.613 15.483 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.736 -11.675 17.629 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.463 -12.954 17.660 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.469 -14.620 17.657 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.547 -13.259 17.892 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.387 -12.650 19.976 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.208 -13.921 19.724 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.111 -15.599 19.771 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.191 -14.288 20.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.422 -15.469 22.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.849 -13.871 22.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.803 -15.141 21.758 1.00 0.00 H new ATOM 2002 N ASP A 126 -1.042 -14.527 15.648 1.00 0.00 N ATOM 2003 CA ASP A 126 -1.594 -15.850 15.384 1.00 0.00 C ATOM 2004 C ASP A 126 -1.704 -16.127 13.889 1.00 0.00 C ATOM 2005 O ASP A 126 -0.979 -16.964 13.355 1.00 0.00 O ATOM 2006 CB ASP A 126 -2.969 -15.995 16.043 1.00 0.00 C ATOM 2007 CG ASP A 126 -3.592 -17.355 15.795 1.00 0.00 C ATOM 2008 OD1 ASP A 126 -3.195 -18.328 16.476 1.00 0.00 O ATOM 2009 OD2 ASP A 126 -4.496 -17.452 14.936 1.00 0.00 O ATOM 0 H ASP A 126 -1.714 -13.868 16.040 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.909 -16.582 15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -2.872 -15.834 17.117 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.634 -15.220 15.663 1.00 0.00 H new ATOM 2014 N GLY A 127 -2.599 -15.418 13.214 1.00 0.00 N ATOM 2015 CA GLY A 127 -2.827 -15.674 11.806 1.00 0.00 C ATOM 2016 C GLY A 127 -2.979 -14.407 10.992 1.00 0.00 C ATOM 2017 O GLY A 127 -2.635 -13.317 11.454 1.00 0.00 O ATOM 0 H GLY A 127 -3.169 -14.673 13.615 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -1.996 -16.257 11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.725 -16.282 11.693 1.00 0.00 H new ATOM 2021 N VAL A 128 -3.504 -14.547 9.784 1.00 0.00 N ATOM 2022 CA VAL A 128 -3.669 -13.415 8.889 1.00 0.00 C ATOM 2023 C VAL A 128 -5.123 -13.293 8.427 1.00 0.00 C ATOM 2024 O VAL A 128 -5.802 -14.296 8.204 1.00 0.00 O ATOM 2025 CB VAL A 128 -2.726 -13.540 7.666 1.00 0.00 C ATOM 2026 CG1 VAL A 128 -3.044 -14.783 6.847 1.00 0.00 C ATOM 2027 CG2 VAL A 128 -2.780 -12.291 6.798 1.00 0.00 C ATOM 0 H VAL A 128 -3.824 -15.437 9.401 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.405 -12.512 9.439 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.709 -13.641 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.365 -14.842 5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.923 -15.670 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.072 -14.729 6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.108 -12.409 5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.798 -12.142 6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.473 -11.426 7.386 1.00 0.00 H new ATOM 2037 N ASP A 129 -5.603 -12.065 8.322 1.00 0.00 N ATOM 2038 CA ASP A 129 -6.937 -11.800 7.801 1.00 0.00 C ATOM 2039 C ASP A 129 -6.822 -10.957 6.543 1.00 0.00 C ATOM 2040 O ASP A 129 -6.278 -9.859 6.582 1.00 0.00 O ATOM 2041 CB ASP A 129 -7.795 -11.075 8.839 1.00 0.00 C ATOM 2042 CG ASP A 129 -9.208 -10.819 8.355 1.00 0.00 C ATOM 2043 OD1 ASP A 129 -10.023 -11.768 8.365 1.00 0.00 O ATOM 2044 OD2 ASP A 129 -9.518 -9.672 7.980 1.00 0.00 O ATOM 0 H ASP A 129 -5.085 -11.229 8.593 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.420 -12.749 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.830 -11.668 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.325 -10.125 9.093 1.00 0.00 H new ATOM 2049 N GLU A 130 -7.303 -11.475 5.429 1.00 0.00 N ATOM 2050 CA GLU A 130 -7.138 -10.796 4.164 1.00 0.00 C ATOM 2051 C GLU A 130 -8.230 -9.755 3.937 1.00 0.00 C ATOM 2052 O GLU A 130 -9.430 -10.051 3.971 1.00 0.00 O ATOM 2053 CB GLU A 130 -7.077 -11.793 2.996 1.00 0.00 C ATOM 2054 CG GLU A 130 -8.203 -12.820 2.947 1.00 0.00 C ATOM 2055 CD GLU A 130 -8.060 -13.904 3.992 1.00 0.00 C ATOM 2056 OE1 GLU A 130 -7.259 -14.838 3.785 1.00 0.00 O ATOM 2057 OE2 GLU A 130 -8.748 -13.823 5.030 1.00 0.00 O ATOM 0 H GLU A 130 -7.808 -12.359 5.377 1.00 0.00 H new ATOM 0 HA GLU A 130 -6.184 -10.270 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.081 -11.231 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.127 -12.324 3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.157 -12.312 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.227 -13.277 1.958 1.00 0.00 H new ATOM 2064 N GLU A 131 -7.789 -8.529 3.707 1.00 0.00 N ATOM 2065 CA GLU A 131 -8.672 -7.431 3.383 1.00 0.00 C ATOM 2066 C GLU A 131 -8.741 -7.298 1.869 1.00 0.00 C ATOM 2067 O GLU A 131 -7.710 -7.277 1.191 1.00 0.00 O ATOM 2068 CB GLU A 131 -8.156 -6.131 4.014 1.00 0.00 C ATOM 2069 CG GLU A 131 -9.061 -4.929 3.796 1.00 0.00 C ATOM 2070 CD GLU A 131 -10.373 -5.030 4.546 1.00 0.00 C ATOM 2071 OE1 GLU A 131 -11.224 -5.858 4.163 1.00 0.00 O ATOM 2072 OE2 GLU A 131 -10.575 -4.256 5.509 1.00 0.00 O ATOM 0 H GLU A 131 -6.803 -8.271 3.741 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.668 -7.625 3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.029 -6.286 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -7.170 -5.908 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.538 -4.026 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.265 -4.824 2.731 1.00 0.00 H new ATOM 2079 N GLU A 132 -9.943 -7.227 1.335 1.00 0.00 N ATOM 2080 CA GLU A 132 -10.114 -7.215 -0.106 1.00 0.00 C ATOM 2081 C GLU A 132 -10.149 -5.785 -0.634 1.00 0.00 C ATOM 2082 O GLU A 132 -10.554 -4.856 0.074 1.00 0.00 O ATOM 2083 CB GLU A 132 -11.378 -7.979 -0.496 1.00 0.00 C ATOM 2084 CG GLU A 132 -11.441 -8.332 -1.970 1.00 0.00 C ATOM 2085 CD GLU A 132 -12.457 -9.411 -2.262 1.00 0.00 C ATOM 2086 OE1 GLU A 132 -12.091 -10.603 -2.199 1.00 0.00 O ATOM 2087 OE2 GLU A 132 -13.621 -9.072 -2.559 1.00 0.00 O ATOM 0 H GLU A 132 -10.810 -7.177 1.870 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.260 -7.716 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.435 -8.895 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.250 -7.379 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -11.688 -7.439 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -10.458 -8.663 -2.304 1.00 0.00 H new ATOM 2094 N ILE A 133 -9.732 -5.618 -1.883 1.00 0.00 N ATOM 2095 CA ILE A 133 -9.592 -4.300 -2.482 1.00 0.00 C ATOM 2096 C ILE A 133 -10.872 -3.888 -3.193 1.00 0.00 C ATOM 2097 O ILE A 133 -11.368 -4.601 -4.068 1.00 0.00 O ATOM 2098 CB ILE A 133 -8.426 -4.269 -3.498 1.00 0.00 C ATOM 2099 CG1 ILE A 133 -7.114 -4.717 -2.840 1.00 0.00 C ATOM 2100 CG2 ILE A 133 -8.274 -2.877 -4.104 1.00 0.00 C ATOM 2101 CD1 ILE A 133 -6.637 -3.804 -1.730 1.00 0.00 C ATOM 0 H ILE A 133 -9.483 -6.388 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 133 -9.383 -3.601 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 133 -8.660 -4.969 -4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -7.246 -5.722 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -6.339 -4.778 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -7.448 -2.878 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -9.195 -2.601 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -8.070 -2.156 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -5.705 -4.190 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -6.471 -2.803 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -7.392 -3.761 -0.945 1.00 0.00 H new ATOM 2113 N ILE A 134 -11.399 -2.737 -2.814 1.00 0.00 N ATOM 2114 CA ILE A 134 -12.584 -2.190 -3.447 1.00 0.00 C ATOM 2115 C ILE A 134 -12.171 -1.114 -4.440 1.00 0.00 C ATOM 2116 O ILE A 134 -11.514 -0.142 -4.068 1.00 0.00 O ATOM 2117 CB ILE A 134 -13.555 -1.581 -2.410 1.00 0.00 C ATOM 2118 CG1 ILE A 134 -13.860 -2.586 -1.291 1.00 0.00 C ATOM 2119 CG2 ILE A 134 -14.842 -1.124 -3.087 1.00 0.00 C ATOM 2120 CD1 ILE A 134 -14.543 -3.851 -1.766 1.00 0.00 C ATOM 0 H ILE A 134 -11.020 -2.159 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 134 -13.101 -3.003 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.074 -0.712 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -12.928 -2.854 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.491 -2.103 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -15.514 -0.698 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -14.610 -0.370 -3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -15.324 -1.977 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -14.724 -4.508 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.493 -3.597 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -13.905 -4.360 -2.489 1.00 0.00 H new ATOM 2132 N LEU A 135 -12.528 -1.301 -5.696 1.00 0.00 N ATOM 2133 CA LEU A 135 -12.173 -0.347 -6.733 1.00 0.00 C ATOM 2134 C LEU A 135 -13.317 0.612 -7.010 1.00 0.00 C ATOM 2135 O LEU A 135 -14.488 0.243 -6.897 1.00 0.00 O ATOM 2136 CB LEU A 135 -11.797 -1.078 -8.023 1.00 0.00 C ATOM 2137 CG LEU A 135 -10.561 -1.966 -7.926 1.00 0.00 C ATOM 2138 CD1 LEU A 135 -10.251 -2.593 -9.275 1.00 0.00 C ATOM 2139 CD2 LEU A 135 -9.372 -1.166 -7.421 1.00 0.00 C ATOM 0 H LEU A 135 -13.064 -2.104 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 135 -11.316 0.226 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -12.643 -1.691 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -11.634 -0.339 -8.807 1.00 0.00 H new ATOM 0 HG LEU A 135 -10.763 -2.766 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.366 -3.224 -9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -11.098 -3.198 -9.598 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -10.066 -1.807 -10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.498 -1.814 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -9.166 -0.346 -8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -9.597 -0.763 -6.434 1.00 0.00 H new ATOM 2151 N LYS A 136 -12.979 1.839 -7.366 1.00 0.00 N ATOM 2152 CA LYS A 136 -13.978 2.799 -7.798 1.00 0.00 C ATOM 2153 C LYS A 136 -13.416 3.662 -8.923 1.00 0.00 C ATOM 2154 O LYS A 136 -12.198 3.746 -9.101 1.00 0.00 O ATOM 2155 CB LYS A 136 -14.444 3.681 -6.638 1.00 0.00 C ATOM 2156 CG LYS A 136 -15.829 4.252 -6.868 1.00 0.00 C ATOM 2157 CD LYS A 136 -16.218 5.270 -5.819 1.00 0.00 C ATOM 2158 CE LYS A 136 -17.632 5.770 -6.055 1.00 0.00 C ATOM 2159 NZ LYS A 136 -17.846 6.178 -7.471 1.00 0.00 N ATOM 0 H LYS A 136 -12.022 2.193 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 136 -14.843 2.246 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -14.443 3.097 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -13.736 4.498 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -15.868 4.717 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -16.557 3.441 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -16.146 4.824 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -15.522 6.108 -5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -18.343 4.987 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -17.832 6.617 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -18.735 6.712 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -17.055 6.776 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -17.898 5.331 -8.072 1.00 0.00 H new ATOM 2173 N GLU A 137 -14.303 4.300 -9.675 1.00 0.00 N ATOM 2174 CA GLU A 137 -13.912 5.098 -10.829 1.00 0.00 C ATOM 2175 C GLU A 137 -13.248 6.392 -10.400 1.00 0.00 C ATOM 2176 O GLU A 137 -12.386 6.933 -11.091 1.00 0.00 O ATOM 2177 CB GLU A 137 -15.151 5.452 -11.649 1.00 0.00 C ATOM 2178 CG GLU A 137 -15.996 4.264 -12.090 1.00 0.00 C ATOM 2179 CD GLU A 137 -16.841 3.687 -10.966 1.00 0.00 C ATOM 2180 OE1 GLU A 137 -17.015 4.373 -9.930 1.00 0.00 O ATOM 2181 OE2 GLU A 137 -17.330 2.550 -11.107 1.00 0.00 O ATOM 0 H GLU A 137 -15.308 4.279 -9.504 1.00 0.00 H new ATOM 0 HA GLU A 137 -13.209 4.510 -11.419 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -15.776 6.124 -11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -14.836 6.003 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -16.649 4.573 -12.906 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -15.342 3.485 -12.482 1.00 0.00 H new ATOM 2188 N GLU A 138 -13.655 6.852 -9.239 1.00 0.00 N ATOM 2189 CA GLU A 138 -13.197 8.110 -8.675 1.00 0.00 C ATOM 2190 C GLU A 138 -13.278 8.064 -7.156 1.00 0.00 C ATOM 2191 O GLU A 138 -13.589 7.023 -6.577 1.00 0.00 O ATOM 2192 CB GLU A 138 -14.049 9.264 -9.205 1.00 0.00 C ATOM 2193 CG GLU A 138 -13.585 9.815 -10.544 1.00 0.00 C ATOM 2194 CD GLU A 138 -12.306 10.619 -10.428 1.00 0.00 C ATOM 2195 OE1 GLU A 138 -11.212 10.019 -10.426 1.00 0.00 O ATOM 2196 OE2 GLU A 138 -12.394 11.867 -10.336 1.00 0.00 O ATOM 0 H GLU A 138 -14.324 6.358 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 138 -12.160 8.269 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -15.081 8.925 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -14.046 10.070 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -13.430 8.990 -11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -14.369 10.444 -10.966 1.00 0.00 H new ATOM 2203 N LEU A 139 -13.003 9.194 -6.520 1.00 0.00 N ATOM 2204 CA LEU A 139 -13.017 9.288 -5.067 1.00 0.00 C ATOM 2205 C LEU A 139 -14.422 9.570 -4.543 1.00 0.00 C ATOM 2206 O LEU A 139 -15.366 9.726 -5.322 1.00 0.00 O ATOM 2207 CB LEU A 139 -12.068 10.397 -4.601 1.00 0.00 C ATOM 2208 CG LEU A 139 -10.582 10.146 -4.861 1.00 0.00 C ATOM 2209 CD1 LEU A 139 -9.771 11.393 -4.552 1.00 0.00 C ATOM 2210 CD2 LEU A 139 -10.088 8.978 -4.022 1.00 0.00 C ATOM 0 H LEU A 139 -12.765 10.066 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 139 -12.685 8.329 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -12.353 11.326 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -12.211 10.548 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 139 -10.453 9.899 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -8.716 11.197 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.108 12.213 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -9.906 11.665 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -9.029 8.812 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -10.230 9.203 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -10.650 8.081 -4.281 1.00 0.00 H new