USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 580 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 24 THR OG1 : rot 180:sc= -0.369 USER MOD Set 1.2: A 40 HIS :FLIP no HD1:sc= -4.89! C(o=-5.9!,f=-5.3!) USER MOD Set 2.1: A 10 TYR OH : rot -15:sc= -0.817 USER MOD Set 2.2: A 53 GLN : amide:sc= -0.405 K(o=-1.2,f=-2.9!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN :FLIP amide:sc= -1.39 F(o=-2.1,f=-1.4) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 62:sc= 0.678 USER MOD Single : A 12 GLN : amide:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 13 THR OG1 : rot 50:sc= 1.03 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -10.4! C(o=-12!,f=-10!) USER MOD Single : A 27 MET CE :methyl 162:sc= -0.295 (180deg=-1.12) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -50:sc= -1.28 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= -0.744 (180deg=-2.67!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0704 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.526 16.460 -1.145 1.00 0.00 N ATOM 2 CA ALA A 1 -12.682 15.270 -0.957 1.00 0.00 C ATOM 3 C ALA A 1 -12.082 14.802 -2.294 1.00 0.00 C ATOM 4 O ALA A 1 -12.795 14.409 -3.221 1.00 0.00 O ATOM 5 CB ALA A 1 -13.500 14.143 -0.327 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.919 16.755 -0.228 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.954 17.232 -1.542 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.303 16.235 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.862 15.535 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.867 13.266 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.882 14.468 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.335 13.890 -0.980 1.00 0.00 H new ATOM 13 N SER A 2 -10.793 15.042 -2.409 1.00 0.00 N ATOM 14 CA SER A 2 -10.044 14.695 -3.638 1.00 0.00 C ATOM 15 C SER A 2 -8.601 14.380 -3.284 1.00 0.00 C ATOM 16 O SER A 2 -8.208 14.460 -2.116 1.00 0.00 O ATOM 17 CB SER A 2 -10.101 15.847 -4.646 1.00 0.00 C ATOM 18 OG SER A 2 -10.954 15.480 -5.730 1.00 0.00 O ATOM 0 H SER A 2 -10.227 15.474 -1.679 1.00 0.00 H new ATOM 0 HA SER A 2 -10.502 13.818 -4.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.474 16.750 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.101 16.073 -5.015 1.00 0.00 H new ATOM 0 HG SER A 2 -10.995 16.215 -6.377 1.00 0.00 H new ATOM 24 N ASN A 3 -7.834 14.072 -4.314 1.00 0.00 N ATOM 25 CA ASN A 3 -6.411 13.729 -4.194 1.00 0.00 C ATOM 26 C ASN A 3 -5.753 13.708 -5.571 1.00 0.00 C ATOM 27 O ASN A 3 -6.413 13.831 -6.599 1.00 0.00 O ATOM 28 CB ASN A 3 -6.240 12.357 -3.522 1.00 0.00 C ATOM 29 CG ASN A 3 -6.279 12.477 -2.003 1.00 0.00 C ATOM 30 OD1 ASN A 3 -5.451 13.350 -1.462 1.00 0.00 O flip ATOM 31 ND2 ASN A 3 -7.030 11.802 -1.321 1.00 0.00 N flip ATOM 0 H ASN A 3 -8.178 14.050 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 3 -5.930 14.488 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.030 11.685 -3.856 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -5.293 11.914 -3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.660 11.134 -1.765 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.028 11.905 -0.306 1.00 0.00 H new ATOM 38 N TYR A 4 -4.440 13.562 -5.536 1.00 0.00 N ATOM 39 CA TYR A 4 -3.635 13.474 -6.760 1.00 0.00 C ATOM 40 C TYR A 4 -4.060 12.250 -7.582 1.00 0.00 C ATOM 41 O TYR A 4 -4.516 11.238 -7.045 1.00 0.00 O ATOM 42 CB TYR A 4 -2.169 13.365 -6.367 1.00 0.00 C ATOM 43 CG TYR A 4 -1.306 14.075 -7.402 1.00 0.00 C ATOM 44 CD1 TYR A 4 -1.187 15.497 -7.349 1.00 0.00 C ATOM 45 CD2 TYR A 4 -0.520 13.302 -8.282 1.00 0.00 C ATOM 46 CE1 TYR A 4 -0.224 16.137 -8.146 1.00 0.00 C ATOM 47 CE2 TYR A 4 0.408 13.941 -9.113 1.00 0.00 C ATOM 48 CZ TYR A 4 0.565 15.346 -9.032 1.00 0.00 C ATOM 49 OH TYR A 4 1.430 15.968 -9.857 1.00 0.00 O ATOM 0 H TYR A 4 -3.899 13.501 -4.673 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.787 14.363 -7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.012 13.808 -5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -1.879 12.317 -6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.831 16.075 -6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.633 12.228 -8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -0.084 17.206 -8.089 1.00 0.00 H new ATOM 0 HE2 TYR A 4 1.000 13.367 -9.811 1.00 0.00 H new ATOM 0 HH TYR A 4 1.899 15.302 -10.402 1.00 0.00 H new ATOM 59 N ASP A 5 -3.793 12.345 -8.873 1.00 0.00 N ATOM 60 CA ASP A 5 -4.079 11.251 -9.817 1.00 0.00 C ATOM 61 C ASP A 5 -2.822 10.426 -10.090 1.00 0.00 C ATOM 62 O ASP A 5 -2.432 10.224 -11.230 1.00 0.00 O ATOM 63 CB ASP A 5 -4.686 11.796 -11.125 1.00 0.00 C ATOM 64 CG ASP A 5 -4.061 13.105 -11.608 1.00 0.00 C ATOM 65 OD1 ASP A 5 -3.073 13.077 -12.371 1.00 0.00 O ATOM 66 OD2 ASP A 5 -4.532 14.144 -11.083 1.00 0.00 O ATOM 0 H ASP A 5 -3.376 13.170 -9.305 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.817 10.592 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.574 11.043 -11.905 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.755 11.949 -10.980 1.00 0.00 H new ATOM 72 N CYS A 6 -2.144 10.074 -8.994 1.00 0.00 N ATOM 73 CA CYS A 6 -0.885 9.305 -9.087 1.00 0.00 C ATOM 74 C CYS A 6 -1.140 7.949 -9.752 1.00 0.00 C ATOM 75 O CYS A 6 -1.335 7.899 -10.960 1.00 0.00 O ATOM 76 CB CYS A 6 -0.256 9.178 -7.700 1.00 0.00 C ATOM 77 SG CYS A 6 1.208 8.084 -7.668 1.00 0.00 S ATOM 0 H CYS A 6 -2.434 10.301 -8.043 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.171 9.833 -9.719 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.031 10.168 -7.347 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.002 8.795 -7.004 1.00 0.00 H new ATOM 82 N CYS A 7 -1.198 6.887 -8.935 1.00 0.00 N ATOM 83 CA CYS A 7 -1.483 5.531 -9.413 1.00 0.00 C ATOM 84 C CYS A 7 -2.713 5.622 -10.308 1.00 0.00 C ATOM 85 O CYS A 7 -3.443 6.614 -10.279 1.00 0.00 O ATOM 86 CB CYS A 7 -1.716 4.610 -8.215 1.00 0.00 C ATOM 87 SG CYS A 7 -0.493 3.251 -8.160 1.00 0.00 S ATOM 0 H CYS A 7 -1.049 6.946 -7.928 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.651 5.115 -9.981 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.658 5.189 -7.294 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.722 4.193 -8.267 1.00 0.00 H new ATOM 92 N LEU A 8 -2.901 4.568 -11.090 1.00 0.00 N ATOM 93 CA LEU A 8 -4.031 4.498 -12.026 1.00 0.00 C ATOM 94 C LEU A 8 -5.326 5.051 -11.421 1.00 0.00 C ATOM 95 O LEU A 8 -6.097 5.675 -12.142 1.00 0.00 O ATOM 96 CB LEU A 8 -4.283 3.065 -12.499 1.00 0.00 C ATOM 97 CG LEU A 8 -4.062 2.881 -14.020 1.00 0.00 C ATOM 98 CD1 LEU A 8 -4.851 3.883 -14.869 1.00 0.00 C ATOM 99 CD2 LEU A 8 -2.578 2.876 -14.384 1.00 0.00 C ATOM 0 H LEU A 8 -2.292 3.749 -11.100 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.748 5.119 -12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.622 2.388 -11.957 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.305 2.781 -12.249 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.463 1.897 -14.263 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.653 3.701 -15.925 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.917 3.765 -14.674 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.546 4.897 -14.612 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.468 2.744 -15.460 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.127 3.823 -14.086 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.079 2.057 -13.866 1.00 0.00 H new ATOM 111 N SER A 9 -5.449 4.899 -10.101 1.00 0.00 N ATOM 112 CA SER A 9 -6.505 5.506 -9.279 1.00 0.00 C ATOM 113 C SER A 9 -6.428 4.897 -7.886 1.00 0.00 C ATOM 114 O SER A 9 -6.054 3.730 -7.750 1.00 0.00 O ATOM 115 CB SER A 9 -7.906 5.235 -9.829 1.00 0.00 C ATOM 116 OG SER A 9 -8.302 6.362 -10.600 1.00 0.00 O ATOM 0 H SER A 9 -4.798 4.334 -9.555 1.00 0.00 H new ATOM 0 HA SER A 9 -6.345 6.584 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.907 4.334 -10.443 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.609 5.065 -9.014 1.00 0.00 H new ATOM 0 HG SER A 9 -7.684 6.478 -11.351 1.00 0.00 H new ATOM 122 N TYR A 10 -6.713 5.743 -6.893 1.00 0.00 N ATOM 123 CA TYR A 10 -6.786 5.340 -5.482 1.00 0.00 C ATOM 124 C TYR A 10 -7.383 3.930 -5.373 1.00 0.00 C ATOM 125 O TYR A 10 -8.144 3.477 -6.237 1.00 0.00 O ATOM 126 CB TYR A 10 -7.696 6.332 -4.736 1.00 0.00 C ATOM 127 CG TYR A 10 -7.640 6.214 -3.217 1.00 0.00 C ATOM 128 CD1 TYR A 10 -8.286 5.140 -2.546 1.00 0.00 C ATOM 129 CD2 TYR A 10 -6.941 7.207 -2.488 1.00 0.00 C ATOM 130 CE1 TYR A 10 -8.195 5.010 -1.162 1.00 0.00 C ATOM 131 CE2 TYR A 10 -6.891 7.114 -1.086 1.00 0.00 C ATOM 132 CZ TYR A 10 -7.496 6.004 -0.433 1.00 0.00 C ATOM 133 OH TYR A 10 -7.407 5.878 0.903 1.00 0.00 O ATOM 0 H TYR A 10 -6.901 6.734 -7.044 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.786 5.340 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.418 7.347 -5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.725 6.180 -5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.853 4.418 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.454 8.023 -3.001 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.647 4.170 -0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.396 7.881 -0.508 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.058 5.214 1.213 1.00 0.00 H new ATOM 143 N ILE A 11 -7.027 3.236 -4.300 1.00 0.00 N ATOM 144 CA ILE A 11 -7.600 1.921 -4.007 1.00 0.00 C ATOM 145 C ILE A 11 -9.119 1.984 -4.017 1.00 0.00 C ATOM 146 O ILE A 11 -9.767 2.467 -3.089 1.00 0.00 O ATOM 147 CB ILE A 11 -7.000 1.314 -2.725 1.00 0.00 C ATOM 148 CG1 ILE A 11 -6.094 0.154 -3.120 1.00 0.00 C ATOM 149 CG2 ILE A 11 -7.913 0.908 -1.573 1.00 0.00 C ATOM 150 CD1 ILE A 11 -6.795 -0.900 -3.999 1.00 0.00 C ATOM 0 H ILE A 11 -6.344 3.559 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.323 1.228 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.475 2.158 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.229 0.545 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.719 -0.328 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.313 0.501 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.462 1.781 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.618 0.151 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.092 -1.696 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.644 -1.318 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.146 -0.432 -4.919 1.00 0.00 H new ATOM 162 N GLN A 12 -9.654 1.474 -5.102 1.00 0.00 N ATOM 163 CA GLN A 12 -11.109 1.421 -5.248 1.00 0.00 C ATOM 164 C GLN A 12 -11.720 0.340 -4.342 1.00 0.00 C ATOM 165 O GLN A 12 -12.933 0.238 -4.255 1.00 0.00 O ATOM 166 CB GLN A 12 -11.524 1.213 -6.701 1.00 0.00 C ATOM 167 CG GLN A 12 -11.014 -0.111 -7.259 1.00 0.00 C ATOM 168 CD GLN A 12 -11.796 -0.510 -8.508 1.00 0.00 C ATOM 169 OE1 GLN A 12 -11.830 0.180 -9.520 1.00 0.00 O ATOM 170 NE2 GLN A 12 -12.431 -1.665 -8.424 1.00 0.00 N ATOM 0 H GLN A 12 -9.126 1.094 -5.888 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.500 2.388 -4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.611 1.242 -6.775 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.141 2.033 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.954 -0.025 -7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.107 -0.890 -6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.381 -2.213 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.972 -2.009 -9.218 1.00 0.00 H new ATOM 179 N THR A 13 -10.829 -0.463 -3.764 1.00 0.00 N ATOM 180 CA THR A 13 -11.185 -1.597 -2.897 1.00 0.00 C ATOM 181 C THR A 13 -9.979 -2.089 -2.106 1.00 0.00 C ATOM 182 O THR A 13 -9.085 -2.728 -2.668 1.00 0.00 O ATOM 183 CB THR A 13 -11.901 -2.691 -3.701 1.00 0.00 C ATOM 184 OG1 THR A 13 -13.290 -2.405 -3.565 1.00 0.00 O ATOM 185 CG2 THR A 13 -11.699 -4.151 -3.265 1.00 0.00 C ATOM 0 H THR A 13 -9.823 -0.347 -3.883 1.00 0.00 H new ATOM 0 HA THR A 13 -11.901 -1.262 -2.146 1.00 0.00 H new ATOM 0 HB THR A 13 -11.481 -2.651 -4.706 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.451 -1.460 -3.767 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.265 -4.809 -3.924 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.640 -4.404 -3.321 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.049 -4.276 -2.240 1.00 0.00 H new ATOM 193 N PRO A 14 -9.976 -1.783 -0.811 1.00 0.00 N ATOM 194 CA PRO A 14 -8.917 -2.218 0.076 1.00 0.00 C ATOM 195 C PRO A 14 -9.044 -3.696 0.439 1.00 0.00 C ATOM 196 O PRO A 14 -9.929 -4.096 1.186 1.00 0.00 O ATOM 197 CB PRO A 14 -9.081 -1.318 1.291 1.00 0.00 C ATOM 198 CG PRO A 14 -10.444 -0.669 1.292 1.00 0.00 C ATOM 199 CD PRO A 14 -10.972 -0.927 -0.118 1.00 0.00 C ATOM 0 HA PRO A 14 -7.929 -2.137 -0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.949 -1.901 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.307 -0.551 1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.095 -1.107 2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.379 0.398 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.943 -1.420 -0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.112 0.012 -0.654 1.00 0.00 H new ATOM 207 N LEU A 15 -8.160 -4.462 -0.166 1.00 0.00 N ATOM 208 CA LEU A 15 -8.154 -5.925 0.031 1.00 0.00 C ATOM 209 C LEU A 15 -7.274 -6.337 1.227 1.00 0.00 C ATOM 210 O LEU A 15 -6.471 -5.541 1.675 1.00 0.00 O ATOM 211 CB LEU A 15 -7.796 -6.662 -1.253 1.00 0.00 C ATOM 212 CG LEU A 15 -6.691 -6.010 -2.066 1.00 0.00 C ATOM 213 CD1 LEU A 15 -5.896 -7.127 -2.712 1.00 0.00 C ATOM 214 CD2 LEU A 15 -7.305 -5.117 -3.148 1.00 0.00 C ATOM 0 H LEU A 15 -7.436 -4.115 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.170 -6.229 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.493 -7.678 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.689 -6.740 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.052 -5.393 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.089 -6.701 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.476 -7.769 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.551 -7.715 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.510 -4.651 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.930 -5.720 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.913 -4.343 -2.679 1.00 0.00 H new ATOM 226 N PRO A 16 -7.464 -7.517 1.810 1.00 0.00 N ATOM 227 CA PRO A 16 -6.657 -7.933 2.967 1.00 0.00 C ATOM 228 C PRO A 16 -5.234 -8.265 2.509 1.00 0.00 C ATOM 229 O PRO A 16 -5.018 -8.729 1.397 1.00 0.00 O ATOM 230 CB PRO A 16 -7.397 -9.136 3.545 1.00 0.00 C ATOM 231 CG PRO A 16 -8.316 -9.664 2.433 1.00 0.00 C ATOM 232 CD PRO A 16 -8.452 -8.532 1.419 1.00 0.00 C ATOM 0 HA PRO A 16 -6.545 -7.158 3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.694 -9.906 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.976 -8.849 4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.892 -10.554 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.289 -9.946 2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.264 -8.890 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.461 -8.119 1.428 1.00 0.00 H new ATOM 240 N SER A 17 -4.300 -8.074 3.440 1.00 0.00 N ATOM 241 CA SER A 17 -2.878 -8.404 3.194 1.00 0.00 C ATOM 242 C SER A 17 -2.680 -9.890 2.849 1.00 0.00 C ATOM 243 O SER A 17 -1.682 -10.269 2.239 1.00 0.00 O ATOM 244 CB SER A 17 -1.974 -8.072 4.383 1.00 0.00 C ATOM 245 OG SER A 17 -2.136 -9.041 5.410 1.00 0.00 O ATOM 0 H SER A 17 -4.490 -7.696 4.368 1.00 0.00 H new ATOM 0 HA SER A 17 -2.593 -7.783 2.345 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.933 -8.044 4.061 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.216 -7.081 4.767 1.00 0.00 H new ATOM 0 HG SER A 17 -1.551 -8.819 6.164 1.00 0.00 H new ATOM 251 N ARG A 18 -3.715 -10.682 3.126 1.00 0.00 N ATOM 252 CA ARG A 18 -3.766 -12.101 2.749 1.00 0.00 C ATOM 253 C ARG A 18 -3.734 -12.322 1.236 1.00 0.00 C ATOM 254 O ARG A 18 -3.521 -13.425 0.752 1.00 0.00 O ATOM 255 CB ARG A 18 -5.025 -12.752 3.344 1.00 0.00 C ATOM 256 CG ARG A 18 -4.611 -13.788 4.383 1.00 0.00 C ATOM 257 CD ARG A 18 -4.178 -15.092 3.714 1.00 0.00 C ATOM 258 NE ARG A 18 -3.165 -15.797 4.523 1.00 0.00 N ATOM 259 CZ ARG A 18 -2.860 -17.085 4.442 1.00 0.00 C ATOM 260 NH1 ARG A 18 -3.530 -17.890 3.622 1.00 0.00 N ATOM 261 NH2 ARG A 18 -1.895 -17.587 5.196 1.00 0.00 N ATOM 0 H ARG A 18 -4.547 -10.360 3.620 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.869 -12.569 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.659 -11.993 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.612 -13.224 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.793 -13.396 4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.443 -13.981 5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.046 -15.736 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.773 -14.879 2.725 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.652 -15.242 5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.287 -17.518 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.287 -18.879 3.567 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.385 -16.983 5.840 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.661 -18.578 5.133 1.00 0.00 H new ATOM 275 N ALA A 19 -3.973 -11.241 0.503 1.00 0.00 N ATOM 276 CA ALA A 19 -3.925 -11.252 -0.964 1.00 0.00 C ATOM 277 C ALA A 19 -2.733 -10.436 -1.461 1.00 0.00 C ATOM 278 O ALA A 19 -2.503 -10.376 -2.642 1.00 0.00 O ATOM 279 CB ALA A 19 -5.251 -10.709 -1.488 1.00 0.00 C ATOM 0 H ALA A 19 -4.205 -10.332 0.902 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.788 -12.267 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.238 -10.708 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.067 -11.339 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.396 -9.691 -1.126 1.00 0.00 H new ATOM 285 N ILE A 20 -1.916 -9.928 -0.552 1.00 0.00 N ATOM 286 CA ILE A 20 -0.745 -9.119 -0.909 1.00 0.00 C ATOM 287 C ILE A 20 0.466 -10.039 -0.956 1.00 0.00 C ATOM 288 O ILE A 20 0.896 -10.584 0.054 1.00 0.00 O ATOM 289 CB ILE A 20 -0.612 -7.978 0.102 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.660 -6.913 -0.241 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.804 -7.387 0.152 1.00 0.00 C ATOM 292 CD1 ILE A 20 -3.152 -7.241 -0.355 1.00 0.00 C ATOM 0 H ILE A 20 -2.039 -10.060 0.452 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.840 -8.657 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.790 -8.371 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.568 -6.130 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.362 -6.476 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.837 -6.582 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.513 -8.165 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.069 -6.993 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.705 -6.336 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.302 -7.986 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.512 -7.635 0.596 1.00 0.00 H new ATOM 304 N VAL A 21 0.996 -10.100 -2.165 1.00 0.00 N ATOM 305 CA VAL A 21 2.209 -10.892 -2.408 1.00 0.00 C ATOM 306 C VAL A 21 3.457 -10.023 -2.199 1.00 0.00 C ATOM 307 O VAL A 21 4.448 -10.471 -1.628 1.00 0.00 O ATOM 308 CB VAL A 21 2.102 -11.584 -3.788 1.00 0.00 C ATOM 309 CG1 VAL A 21 3.133 -11.159 -4.852 1.00 0.00 C ATOM 310 CG2 VAL A 21 2.194 -13.096 -3.593 1.00 0.00 C ATOM 0 H VAL A 21 0.621 -9.624 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 21 2.310 -11.700 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 21 1.139 -11.262 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.954 -11.713 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.036 -10.091 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.139 -11.372 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.120 -13.593 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.148 -13.346 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.380 -13.430 -2.950 1.00 0.00 H new ATOM 320 N GLY A 22 3.391 -8.827 -2.760 1.00 0.00 N ATOM 321 CA GLY A 22 4.542 -7.926 -2.740 1.00 0.00 C ATOM 322 C GLY A 22 4.089 -6.488 -2.874 1.00 0.00 C ATOM 323 O GLY A 22 3.223 -6.207 -3.661 1.00 0.00 O ATOM 0 H GLY A 22 2.565 -8.456 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.096 -8.054 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.222 -8.177 -3.554 1.00 0.00 H new ATOM 327 N PHE A 23 4.517 -5.652 -1.980 1.00 0.00 N ATOM 328 CA PHE A 23 4.127 -4.241 -1.972 1.00 0.00 C ATOM 329 C PHE A 23 5.320 -3.333 -1.702 1.00 0.00 C ATOM 330 O PHE A 23 6.357 -3.822 -1.244 1.00 0.00 O ATOM 331 CB PHE A 23 3.053 -3.991 -0.922 1.00 0.00 C ATOM 332 CG PHE A 23 3.491 -4.325 0.471 1.00 0.00 C ATOM 333 CD1 PHE A 23 3.845 -5.658 0.812 1.00 0.00 C ATOM 334 CD2 PHE A 23 3.547 -3.273 1.401 1.00 0.00 C ATOM 335 CE1 PHE A 23 4.301 -5.955 2.107 1.00 0.00 C ATOM 336 CE2 PHE A 23 3.939 -3.581 2.696 1.00 0.00 C ATOM 337 CZ PHE A 23 4.334 -4.904 3.029 1.00 0.00 C ATOM 0 H PHE A 23 5.150 -5.912 -1.224 1.00 0.00 H new ATOM 0 HA PHE A 23 3.732 -4.007 -2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.756 -2.943 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.171 -4.581 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.763 -6.443 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.294 -2.262 1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.613 -6.953 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.944 -2.812 3.454 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.673 -5.106 4.034 1.00 0.00 H new ATOM 347 N THR A 24 5.095 -2.042 -1.848 1.00 0.00 N ATOM 348 CA THR A 24 6.151 -1.039 -1.646 1.00 0.00 C ATOM 349 C THR A 24 5.526 0.226 -1.056 1.00 0.00 C ATOM 350 O THR A 24 4.321 0.336 -0.846 1.00 0.00 O ATOM 351 CB THR A 24 6.883 -0.818 -2.979 1.00 0.00 C ATOM 352 OG1 THR A 24 7.143 -2.109 -3.545 1.00 0.00 O ATOM 353 CG2 THR A 24 8.256 -0.148 -2.801 1.00 0.00 C ATOM 0 H THR A 24 4.190 -1.650 -2.107 1.00 0.00 H new ATOM 0 HA THR A 24 6.903 -1.373 -0.931 1.00 0.00 H new ATOM 0 HB THR A 24 6.254 -0.178 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.610 -2.003 -4.400 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.726 -0.017 -3.776 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.127 0.825 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.889 -0.776 -2.174 1.00 0.00 H new ATOM 361 N ARG A 25 6.414 1.174 -0.760 1.00 0.00 N ATOM 362 CA ARG A 25 6.008 2.466 -0.190 1.00 0.00 C ATOM 363 C ARG A 25 5.868 3.507 -1.287 1.00 0.00 C ATOM 364 O ARG A 25 6.666 3.570 -2.236 1.00 0.00 O ATOM 365 CB ARG A 25 7.049 2.930 0.830 1.00 0.00 C ATOM 366 CG ARG A 25 7.003 2.030 2.068 1.00 0.00 C ATOM 367 CD ARG A 25 8.377 1.954 2.705 1.00 0.00 C ATOM 368 NE ARG A 25 8.400 2.648 4.008 1.00 0.00 N ATOM 369 CZ ARG A 25 8.623 3.947 4.194 1.00 0.00 C ATOM 370 NH1 ARG A 25 8.835 4.743 3.154 1.00 0.00 N ATOM 371 NH2 ARG A 25 8.616 4.462 5.410 1.00 0.00 N ATOM 0 H ARG A 25 7.419 1.076 -0.904 1.00 0.00 H new ATOM 0 HA ARG A 25 5.044 2.344 0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.044 2.902 0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.856 3.964 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.282 2.421 2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.666 1.031 1.790 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.661 0.910 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.115 2.401 2.039 1.00 0.00 H new ATOM 0 HE ARG A 25 8.230 2.082 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.827 4.360 2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.006 5.738 3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.439 3.863 6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.788 5.459 5.543 1.00 0.00 H new ATOM 385 N GLN A 26 4.838 4.321 -1.140 1.00 0.00 N ATOM 386 CA GLN A 26 4.575 5.400 -2.109 1.00 0.00 C ATOM 387 C GLN A 26 4.579 6.756 -1.408 1.00 0.00 C ATOM 388 O GLN A 26 3.587 7.224 -0.856 1.00 0.00 O ATOM 389 CB GLN A 26 3.252 5.169 -2.818 1.00 0.00 C ATOM 390 CG GLN A 26 3.184 5.822 -4.192 1.00 0.00 C ATOM 391 CD GLN A 26 1.888 5.376 -4.888 1.00 0.00 C ATOM 392 OE1 GLN A 26 0.785 5.740 -4.298 1.00 0.00 O flip ATOM 393 NE2 GLN A 26 1.864 4.867 -5.994 1.00 0.00 N flip ATOM 0 H GLN A 26 4.169 4.267 -0.372 1.00 0.00 H new ATOM 0 HA GLN A 26 5.369 5.395 -2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.087 4.097 -2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.443 5.556 -2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.206 6.907 -4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.050 5.537 -4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.735 4.586 -6.445 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.973 4.721 -6.469 1.00 0.00 H new ATOM 402 N MET A 27 5.779 7.304 -1.416 1.00 0.00 N ATOM 403 CA MET A 27 6.029 8.625 -0.812 1.00 0.00 C ATOM 404 C MET A 27 5.335 9.720 -1.636 1.00 0.00 C ATOM 405 O MET A 27 4.982 9.532 -2.796 1.00 0.00 O ATOM 406 CB MET A 27 7.538 8.881 -0.770 1.00 0.00 C ATOM 407 CG MET A 27 8.309 7.755 -0.075 1.00 0.00 C ATOM 408 SD MET A 27 8.595 8.048 1.708 1.00 0.00 S ATOM 409 CE MET A 27 7.154 7.287 2.420 1.00 0.00 C ATOM 0 H MET A 27 6.602 6.867 -1.830 1.00 0.00 H new ATOM 0 HA MET A 27 5.627 8.643 0.201 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.911 8.997 -1.788 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.729 9.820 -0.251 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.759 6.822 -0.197 1.00 0.00 H new ATOM 0 HG3 MET A 27 9.271 7.625 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.328 7.098 3.479 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.298 7.952 2.306 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.952 6.344 1.912 1.00 0.00 H new ATOM 419 N ALA A 28 5.211 10.886 -1.007 1.00 0.00 N ATOM 420 CA ALA A 28 4.576 12.041 -1.658 1.00 0.00 C ATOM 421 C ALA A 28 5.644 13.029 -2.110 1.00 0.00 C ATOM 422 O ALA A 28 6.312 13.640 -1.285 1.00 0.00 O ATOM 423 CB ALA A 28 3.619 12.717 -0.670 1.00 0.00 C ATOM 0 H ALA A 28 5.537 11.061 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 28 4.015 11.706 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.146 13.574 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.853 12.006 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.176 13.052 0.205 1.00 0.00 H new ATOM 429 N ASP A 29 5.901 13.012 -3.422 1.00 0.00 N ATOM 430 CA ASP A 29 6.916 13.877 -4.046 1.00 0.00 C ATOM 431 C ASP A 29 7.032 13.558 -5.540 1.00 0.00 C ATOM 432 O ASP A 29 6.819 14.427 -6.379 1.00 0.00 O ATOM 433 CB ASP A 29 8.308 13.696 -3.436 1.00 0.00 C ATOM 434 CG ASP A 29 8.777 14.949 -2.699 1.00 0.00 C ATOM 435 OD1 ASP A 29 9.513 15.712 -3.359 1.00 0.00 O ATOM 436 OD2 ASP A 29 8.505 15.078 -1.489 1.00 0.00 O ATOM 0 H ASP A 29 5.416 12.403 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 29 6.585 14.901 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.294 12.853 -2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.020 13.451 -4.224 1.00 0.00 H new ATOM 442 N GLU A 30 7.452 12.318 -5.804 1.00 0.00 N ATOM 443 CA GLU A 30 7.673 11.830 -7.174 1.00 0.00 C ATOM 444 C GLU A 30 6.358 11.922 -7.977 1.00 0.00 C ATOM 445 O GLU A 30 5.485 12.738 -7.712 1.00 0.00 O ATOM 446 CB GLU A 30 8.259 10.416 -7.125 1.00 0.00 C ATOM 447 CG GLU A 30 9.218 10.232 -8.310 1.00 0.00 C ATOM 448 CD GLU A 30 9.139 8.847 -8.942 1.00 0.00 C ATOM 449 OE1 GLU A 30 8.852 7.878 -8.203 1.00 0.00 O ATOM 450 OE2 GLU A 30 9.271 8.789 -10.182 1.00 0.00 O ATOM 0 H GLU A 30 7.648 11.625 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 30 8.400 12.454 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.788 10.260 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.460 9.676 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.995 10.983 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.239 10.412 -7.973 1.00 0.00 H new ATOM 457 N ALA A 31 6.162 10.981 -8.899 1.00 0.00 N ATOM 458 CA ALA A 31 4.922 10.881 -9.683 1.00 0.00 C ATOM 459 C ALA A 31 3.674 10.850 -8.768 1.00 0.00 C ATOM 460 O ALA A 31 2.579 11.223 -9.163 1.00 0.00 O ATOM 461 CB ALA A 31 4.971 9.609 -10.539 1.00 0.00 C ATOM 0 H ALA A 31 6.853 10.266 -9.127 1.00 0.00 H new ATOM 0 HA ALA A 31 4.844 11.761 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.054 9.528 -11.123 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.827 9.656 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.066 8.738 -9.891 1.00 0.00 H new ATOM 467 N CYS A 32 3.909 10.437 -7.522 1.00 0.00 N ATOM 468 CA CYS A 32 2.889 10.498 -6.473 1.00 0.00 C ATOM 469 C CYS A 32 2.988 11.785 -5.668 1.00 0.00 C ATOM 470 O CYS A 32 4.069 12.206 -5.265 1.00 0.00 O ATOM 471 CB CYS A 32 3.022 9.290 -5.560 1.00 0.00 C ATOM 472 SG CYS A 32 1.517 8.283 -5.654 1.00 0.00 S ATOM 0 H CYS A 32 4.802 10.054 -7.213 1.00 0.00 H new ATOM 0 HA CYS A 32 1.909 10.487 -6.950 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.888 8.695 -5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.190 9.615 -4.533 1.00 0.00 H new ATOM 477 N ASP A 33 1.827 12.366 -5.437 1.00 0.00 N ATOM 478 CA ASP A 33 1.793 13.567 -4.579 1.00 0.00 C ATOM 479 C ASP A 33 1.105 13.309 -3.248 1.00 0.00 C ATOM 480 O ASP A 33 0.853 14.219 -2.464 1.00 0.00 O ATOM 481 CB ASP A 33 0.992 14.639 -5.294 1.00 0.00 C ATOM 482 CG ASP A 33 1.216 16.096 -4.898 1.00 0.00 C ATOM 483 OD1 ASP A 33 0.227 16.709 -4.430 1.00 0.00 O ATOM 484 OD2 ASP A 33 2.302 16.573 -5.257 1.00 0.00 O ATOM 0 H ASP A 33 0.927 12.057 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 33 2.824 13.865 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.196 14.550 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.065 14.415 -5.151 1.00 0.00 H new ATOM 490 N ILE A 34 0.740 12.050 -3.067 1.00 0.00 N ATOM 491 CA ILE A 34 0.104 11.594 -1.837 1.00 0.00 C ATOM 492 C ILE A 34 0.782 10.301 -1.375 1.00 0.00 C ATOM 493 O ILE A 34 1.601 9.706 -2.082 1.00 0.00 O ATOM 494 CB ILE A 34 -1.421 11.484 -2.024 1.00 0.00 C ATOM 495 CG1 ILE A 34 -1.763 10.567 -3.208 1.00 0.00 C ATOM 496 CG2 ILE A 34 -2.019 12.908 -2.089 1.00 0.00 C ATOM 497 CD1 ILE A 34 -3.203 10.639 -3.733 1.00 0.00 C ATOM 0 H ILE A 34 0.874 11.317 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 34 0.238 12.322 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.891 10.996 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.087 10.804 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.558 9.538 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.099 12.843 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.798 13.438 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.582 13.448 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.321 9.947 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.895 10.368 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.417 11.653 -4.070 1.00 0.00 H new ATOM 509 N ASN A 35 0.401 9.904 -0.171 1.00 0.00 N ATOM 510 CA ASN A 35 0.957 8.685 0.415 1.00 0.00 C ATOM 511 C ASN A 35 0.000 7.534 0.107 1.00 0.00 C ATOM 512 O ASN A 35 -1.216 7.670 0.254 1.00 0.00 O ATOM 513 CB ASN A 35 1.096 8.822 1.922 1.00 0.00 C ATOM 514 CG ASN A 35 1.891 10.054 2.316 1.00 0.00 C ATOM 515 OD1 ASN A 35 3.102 10.123 2.183 1.00 0.00 O ATOM 516 ND2 ASN A 35 1.165 11.058 2.744 1.00 0.00 N ATOM 0 H ASN A 35 -0.277 10.393 0.413 1.00 0.00 H new ATOM 0 HA ASN A 35 1.945 8.501 -0.006 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.105 8.872 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.584 7.933 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.610 11.944 2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.155 10.953 2.839 1.00 0.00 H new ATOM 523 N ALA A 36 0.584 6.433 -0.330 1.00 0.00 N ATOM 524 CA ALA A 36 -0.174 5.213 -0.637 1.00 0.00 C ATOM 525 C ALA A 36 0.724 3.988 -0.626 1.00 0.00 C ATOM 526 O ALA A 36 1.945 4.081 -0.574 1.00 0.00 O ATOM 527 CB ALA A 36 -0.953 5.358 -1.944 1.00 0.00 C ATOM 0 H ALA A 36 1.589 6.349 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.912 5.066 0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.504 4.439 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.653 6.189 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.259 5.550 -2.762 1.00 0.00 H new ATOM 533 N ILE A 37 0.115 2.826 -0.530 1.00 0.00 N ATOM 534 CA ILE A 37 0.885 1.585 -0.406 1.00 0.00 C ATOM 535 C ILE A 37 0.722 0.843 -1.720 1.00 0.00 C ATOM 536 O ILE A 37 -0.393 0.519 -2.081 1.00 0.00 O ATOM 537 CB ILE A 37 0.418 0.727 0.761 1.00 0.00 C ATOM 538 CG1 ILE A 37 0.135 1.584 1.994 1.00 0.00 C ATOM 539 CG2 ILE A 37 1.431 -0.384 1.061 1.00 0.00 C ATOM 540 CD1 ILE A 37 1.298 2.480 2.471 1.00 0.00 C ATOM 0 H ILE A 37 -0.898 2.704 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 37 1.931 1.814 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.519 0.248 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.725 2.219 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.150 0.925 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.076 -0.984 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.545 -1.019 0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.393 0.060 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.986 3.043 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.157 1.858 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.573 3.173 1.676 1.00 0.00 H new ATOM 552 N ILE A 38 1.837 0.769 -2.416 1.00 0.00 N ATOM 553 CA ILE A 38 1.876 0.113 -3.731 1.00 0.00 C ATOM 554 C ILE A 38 1.940 -1.404 -3.531 1.00 0.00 C ATOM 555 O ILE A 38 3.009 -1.965 -3.428 1.00 0.00 O ATOM 556 CB ILE A 38 3.078 0.667 -4.498 1.00 0.00 C ATOM 557 CG1 ILE A 38 2.765 2.039 -5.033 1.00 0.00 C ATOM 558 CG2 ILE A 38 3.441 -0.148 -5.732 1.00 0.00 C ATOM 559 CD1 ILE A 38 4.065 2.807 -5.265 1.00 0.00 C ATOM 0 H ILE A 38 2.731 1.149 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 38 0.980 0.317 -4.317 1.00 0.00 H new ATOM 0 HB ILE A 38 3.896 0.652 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.207 1.958 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.132 2.579 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.302 0.303 -6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.686 -1.168 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.595 -0.164 -6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.837 3.800 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.606 2.900 -4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.682 2.269 -5.985 1.00 0.00 H new ATOM 571 N PHE A 39 0.783 -2.018 -3.528 1.00 0.00 N ATOM 572 CA PHE A 39 0.613 -3.477 -3.398 1.00 0.00 C ATOM 573 C PHE A 39 0.747 -4.168 -4.754 1.00 0.00 C ATOM 574 O PHE A 39 0.512 -3.551 -5.782 1.00 0.00 O ATOM 575 CB PHE A 39 -0.720 -3.810 -2.759 1.00 0.00 C ATOM 576 CG PHE A 39 -0.736 -3.436 -1.293 1.00 0.00 C ATOM 577 CD1 PHE A 39 -0.060 -4.279 -0.401 1.00 0.00 C ATOM 578 CD2 PHE A 39 -1.484 -2.336 -0.795 1.00 0.00 C ATOM 579 CE1 PHE A 39 -0.153 -4.098 0.984 1.00 0.00 C ATOM 580 CE2 PHE A 39 -1.566 -2.135 0.593 1.00 0.00 C ATOM 581 CZ PHE A 39 -0.927 -3.019 1.482 1.00 0.00 C ATOM 0 H PHE A 39 -0.102 -1.519 -3.617 1.00 0.00 H new ATOM 0 HA PHE A 39 1.406 -3.849 -2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.518 -3.281 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.921 -4.876 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.545 -5.085 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.984 -1.662 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.356 -4.768 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.124 -1.295 0.981 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.026 -2.875 2.548 1.00 0.00 H new ATOM 591 N HIS A 40 0.977 -5.463 -4.703 1.00 0.00 N ATOM 592 CA HIS A 40 1.180 -6.257 -5.937 1.00 0.00 C ATOM 593 C HIS A 40 0.763 -7.686 -5.609 1.00 0.00 C ATOM 594 O HIS A 40 1.552 -8.603 -5.412 1.00 0.00 O ATOM 595 CB HIS A 40 2.638 -6.269 -6.435 1.00 0.00 C ATOM 596 CG HIS A 40 3.295 -4.886 -6.418 1.00 0.00 C ATOM 597 ND1 HIS A 40 4.270 -4.433 -5.624 1.00 0.00 N flip ATOM 598 CD2 HIS A 40 2.976 -3.940 -7.259 1.00 0.00 C flip ATOM 599 CE1 HIS A 40 4.536 -3.177 -5.968 1.00 0.00 C flip ATOM 600 NE2 HIS A 40 3.760 -2.899 -7.012 1.00 0.00 N flip ATOM 0 H HIS A 40 1.031 -6.001 -3.838 1.00 0.00 H new ATOM 0 HA HIS A 40 0.590 -5.806 -6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.221 -6.948 -5.814 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.665 -6.664 -7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.211 -3.995 -8.019 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.243 -2.513 -5.493 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.767 -2.025 -7.538 1.00 0.00 H new ATOM 609 N THR A 41 -0.535 -7.785 -5.387 1.00 0.00 N ATOM 610 CA THR A 41 -1.182 -9.071 -5.106 1.00 0.00 C ATOM 611 C THR A 41 -0.829 -10.112 -6.185 1.00 0.00 C ATOM 612 O THR A 41 -0.043 -9.883 -7.097 1.00 0.00 O ATOM 613 CB THR A 41 -2.685 -8.830 -5.028 1.00 0.00 C ATOM 614 OG1 THR A 41 -3.099 -8.570 -6.339 1.00 0.00 O ATOM 615 CG2 THR A 41 -3.069 -7.673 -4.126 1.00 0.00 C ATOM 0 H THR A 41 -1.173 -6.989 -5.394 1.00 0.00 H new ATOM 0 HA THR A 41 -0.826 -9.476 -4.158 1.00 0.00 H new ATOM 0 HB THR A 41 -3.168 -9.705 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.520 -7.885 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.153 -7.561 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.718 -7.870 -3.113 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.612 -6.756 -4.496 1.00 0.00 H new ATOM 623 N LYS A 42 -1.431 -11.281 -6.065 1.00 0.00 N ATOM 624 CA LYS A 42 -1.178 -12.355 -7.053 1.00 0.00 C ATOM 625 C LYS A 42 -2.279 -12.411 -8.124 1.00 0.00 C ATOM 626 O LYS A 42 -2.184 -13.144 -9.099 1.00 0.00 O ATOM 627 CB LYS A 42 -0.988 -13.690 -6.321 1.00 0.00 C ATOM 628 CG LYS A 42 -2.286 -14.189 -5.679 1.00 0.00 C ATOM 629 CD LYS A 42 -1.980 -15.266 -4.641 1.00 0.00 C ATOM 630 CE LYS A 42 -2.465 -14.785 -3.273 1.00 0.00 C ATOM 631 NZ LYS A 42 -1.456 -15.101 -2.254 1.00 0.00 N ATOM 0 H LYS A 42 -2.084 -11.524 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.257 -12.136 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.621 -14.438 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.225 -13.575 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.810 -13.358 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.949 -14.590 -6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.474 -16.200 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.909 -15.469 -4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.648 -13.711 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.412 -15.264 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.787 -14.773 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.303 -16.129 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.562 -14.625 -2.491 1.00 0.00 H new ATOM 645 N LYS A 43 -3.340 -11.657 -7.868 1.00 0.00 N ATOM 646 CA LYS A 43 -4.478 -11.573 -8.786 1.00 0.00 C ATOM 647 C LYS A 43 -5.021 -10.134 -8.892 1.00 0.00 C ATOM 648 O LYS A 43 -6.213 -9.883 -8.984 1.00 0.00 O ATOM 649 CB LYS A 43 -5.563 -12.556 -8.336 1.00 0.00 C ATOM 650 CG LYS A 43 -6.378 -13.037 -9.541 1.00 0.00 C ATOM 651 CD LYS A 43 -7.821 -13.298 -9.119 1.00 0.00 C ATOM 652 CE LYS A 43 -8.440 -14.405 -9.970 1.00 0.00 C ATOM 653 NZ LYS A 43 -8.940 -15.461 -9.069 1.00 0.00 N ATOM 0 H LYS A 43 -3.440 -11.089 -7.027 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.145 -11.848 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.105 -13.409 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.221 -12.075 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.351 -12.288 -10.332 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.939 -13.947 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.852 -13.581 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.406 -12.384 -9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.254 -14.007 -10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.700 -14.813 -10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.366 -16.225 -9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.151 -15.842 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.656 -15.061 -8.430 1.00 0.00 H new ATOM 667 N ARG A 44 -4.087 -9.192 -8.851 1.00 0.00 N ATOM 668 CA ARG A 44 -4.420 -7.757 -8.943 1.00 0.00 C ATOM 669 C ARG A 44 -3.136 -6.968 -9.155 1.00 0.00 C ATOM 670 O ARG A 44 -2.143 -7.089 -8.443 1.00 0.00 O ATOM 671 CB ARG A 44 -5.111 -7.260 -7.661 1.00 0.00 C ATOM 672 CG ARG A 44 -6.386 -6.493 -7.911 1.00 0.00 C ATOM 673 CD ARG A 44 -7.016 -6.090 -6.577 1.00 0.00 C ATOM 674 NE ARG A 44 -7.893 -7.147 -6.016 1.00 0.00 N ATOM 675 CZ ARG A 44 -8.996 -7.626 -6.589 1.00 0.00 C ATOM 676 NH1 ARG A 44 -9.396 -7.177 -7.778 1.00 0.00 N ATOM 677 NH2 ARG A 44 -9.709 -8.559 -5.995 1.00 0.00 N ATOM 0 H ARG A 44 -3.090 -9.386 -8.755 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.105 -7.612 -9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.333 -8.116 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.418 -6.624 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.177 -5.605 -8.508 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.083 -7.105 -8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.226 -5.861 -5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.596 -5.177 -6.715 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.628 -7.541 -5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.856 -6.458 -8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.242 -7.552 -8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.419 -8.922 -5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.552 -8.919 -6.442 1.00 0.00 H new ATOM 691 N LYS A 45 -3.193 -6.188 -10.226 1.00 0.00 N ATOM 692 CA LYS A 45 -2.076 -5.311 -10.587 1.00 0.00 C ATOM 693 C LYS A 45 -1.751 -4.360 -9.420 1.00 0.00 C ATOM 694 O LYS A 45 -2.374 -4.422 -8.364 1.00 0.00 O ATOM 695 CB LYS A 45 -2.409 -4.560 -11.891 1.00 0.00 C ATOM 696 CG LYS A 45 -3.539 -3.542 -11.735 1.00 0.00 C ATOM 697 CD LYS A 45 -3.696 -2.740 -13.023 1.00 0.00 C ATOM 698 CE LYS A 45 -4.297 -1.364 -12.714 1.00 0.00 C ATOM 699 NZ LYS A 45 -3.820 -0.418 -13.734 1.00 0.00 N ATOM 0 H LYS A 45 -3.992 -6.141 -10.859 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.179 -5.903 -10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.514 -4.047 -12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.686 -5.284 -12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.472 -4.054 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.324 -2.872 -10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.727 -2.622 -13.508 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.338 -3.278 -13.720 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.386 -1.414 -12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.999 -1.033 -11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.394 0.409 -13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.109 -0.883 -14.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.620 -0.109 -14.322 1.00 0.00 H new ATOM 713 N SER A 46 -0.770 -3.507 -9.642 1.00 0.00 N ATOM 714 CA SER A 46 -0.360 -2.498 -8.647 1.00 0.00 C ATOM 715 C SER A 46 -1.574 -1.865 -7.956 1.00 0.00 C ATOM 716 O SER A 46 -2.527 -1.413 -8.593 1.00 0.00 O ATOM 717 CB SER A 46 0.469 -1.373 -9.267 1.00 0.00 C ATOM 718 OG SER A 46 0.571 -1.523 -10.685 1.00 0.00 O ATOM 0 H SER A 46 -0.229 -3.482 -10.507 1.00 0.00 H new ATOM 0 HA SER A 46 0.249 -3.035 -7.920 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.013 -0.411 -9.033 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.466 -1.368 -8.827 1.00 0.00 H new ATOM 0 HG SER A 46 1.105 -0.789 -11.054 1.00 0.00 H new ATOM 724 N VAL A 47 -1.569 -1.997 -6.638 1.00 0.00 N ATOM 725 CA VAL A 47 -2.679 -1.507 -5.806 1.00 0.00 C ATOM 726 C VAL A 47 -2.133 -0.423 -4.899 1.00 0.00 C ATOM 727 O VAL A 47 -1.454 -0.731 -3.935 1.00 0.00 O ATOM 728 CB VAL A 47 -3.333 -2.697 -5.080 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.907 -2.403 -3.693 1.00 0.00 C ATOM 730 CG2 VAL A 47 -4.405 -3.331 -5.964 1.00 0.00 C ATOM 0 H VAL A 47 -0.813 -2.438 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.479 -1.054 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.511 -3.390 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.341 -3.313 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.111 -2.049 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.678 -1.637 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.860 -4.171 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.171 -2.590 -6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.951 -3.685 -6.890 1.00 0.00 H new ATOM 740 N CYS A 48 -2.500 0.806 -5.198 1.00 0.00 N ATOM 741 CA CYS A 48 -2.080 1.950 -4.377 1.00 0.00 C ATOM 742 C CYS A 48 -3.218 2.335 -3.427 1.00 0.00 C ATOM 743 O CYS A 48 -4.316 2.653 -3.859 1.00 0.00 O ATOM 744 CB CYS A 48 -1.722 3.133 -5.262 1.00 0.00 C ATOM 745 SG CYS A 48 -0.181 2.848 -6.187 1.00 0.00 S ATOM 0 H CYS A 48 -3.085 1.050 -5.997 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.199 1.671 -3.799 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.536 3.322 -5.962 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.616 4.027 -4.647 1.00 0.00 H new ATOM 750 N ALA A 49 -2.902 2.265 -2.142 1.00 0.00 N ATOM 751 CA ALA A 49 -3.887 2.606 -1.102 1.00 0.00 C ATOM 752 C ALA A 49 -3.298 3.541 -0.067 1.00 0.00 C ATOM 753 O ALA A 49 -2.264 3.244 0.512 1.00 0.00 O ATOM 754 CB ALA A 49 -4.304 1.340 -0.383 1.00 0.00 C ATOM 0 H ALA A 49 -1.988 1.981 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.732 3.092 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.034 1.584 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.749 0.646 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.430 0.878 0.076 1.00 0.00 H new ATOM 760 N ASP A 50 -4.028 4.617 0.199 1.00 0.00 N ATOM 761 CA ASP A 50 -3.563 5.601 1.185 1.00 0.00 C ATOM 762 C ASP A 50 -3.353 4.925 2.544 1.00 0.00 C ATOM 763 O ASP A 50 -4.171 4.083 2.930 1.00 0.00 O ATOM 764 CB ASP A 50 -4.572 6.738 1.336 1.00 0.00 C ATOM 765 CG ASP A 50 -3.949 8.127 1.118 1.00 0.00 C ATOM 766 OD1 ASP A 50 -3.718 8.463 -0.060 1.00 0.00 O ATOM 767 OD2 ASP A 50 -3.827 8.848 2.129 1.00 0.00 O ATOM 0 H ASP A 50 -4.924 4.833 -0.239 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.618 6.014 0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.383 6.594 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.012 6.696 2.332 1.00 0.00 H new ATOM 773 N PRO A 51 -2.284 5.309 3.252 1.00 0.00 N ATOM 774 CA PRO A 51 -1.944 4.781 4.573 1.00 0.00 C ATOM 775 C PRO A 51 -2.857 5.350 5.658 1.00 0.00 C ATOM 776 O PRO A 51 -2.420 5.897 6.666 1.00 0.00 O ATOM 777 CB PRO A 51 -0.465 5.066 4.791 1.00 0.00 C ATOM 778 CG PRO A 51 -0.139 6.235 3.882 1.00 0.00 C ATOM 779 CD PRO A 51 -1.260 6.278 2.851 1.00 0.00 C ATOM 0 HA PRO A 51 -2.110 3.705 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.262 5.311 5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.143 4.196 4.544 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.088 7.167 4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.830 6.100 3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.686 7.280 2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.875 6.037 1.860 1.00 0.00 H new ATOM 787 N LYS A 52 -4.144 5.244 5.378 1.00 0.00 N ATOM 788 CA LYS A 52 -5.179 5.773 6.295 1.00 0.00 C ATOM 789 C LYS A 52 -6.149 4.652 6.693 1.00 0.00 C ATOM 790 O LYS A 52 -7.242 4.881 7.218 1.00 0.00 O ATOM 791 CB LYS A 52 -5.917 6.944 5.627 1.00 0.00 C ATOM 792 CG LYS A 52 -4.977 7.908 4.877 1.00 0.00 C ATOM 793 CD LYS A 52 -3.947 8.607 5.765 1.00 0.00 C ATOM 794 CE LYS A 52 -4.305 10.073 5.882 1.00 0.00 C ATOM 795 NZ LYS A 52 -3.322 10.752 6.733 1.00 0.00 N ATOM 0 H LYS A 52 -4.511 4.803 4.535 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.707 6.146 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.654 6.549 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.465 7.500 6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.451 7.352 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.579 8.665 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.927 8.145 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.949 8.497 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.325 10.533 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.304 10.181 6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.569 11.759 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.324 10.319 7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.376 10.660 6.312 1.00 0.00 H new ATOM 809 N GLN A 53 -5.704 3.434 6.429 1.00 0.00 N ATOM 810 CA GLN A 53 -6.501 2.242 6.735 1.00 0.00 C ATOM 811 C GLN A 53 -5.698 1.292 7.631 1.00 0.00 C ATOM 812 O GLN A 53 -4.499 1.479 7.854 1.00 0.00 O ATOM 813 CB GLN A 53 -6.914 1.551 5.436 1.00 0.00 C ATOM 814 CG GLN A 53 -7.343 2.525 4.339 1.00 0.00 C ATOM 815 CD GLN A 53 -8.695 2.209 3.721 1.00 0.00 C ATOM 816 OE1 GLN A 53 -9.479 1.406 4.210 1.00 0.00 O ATOM 817 NE2 GLN A 53 -8.929 2.820 2.582 1.00 0.00 N ATOM 0 H GLN A 53 -4.798 3.238 6.004 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.403 2.535 7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.081 0.950 5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.735 0.865 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.372 3.533 4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.588 2.526 3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.249 3.482 2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.791 2.632 2.070 1.00 0.00 H new ATOM 826 N ASN A 54 -6.376 0.239 8.048 1.00 0.00 N ATOM 827 CA ASN A 54 -5.774 -0.784 8.927 1.00 0.00 C ATOM 828 C ASN A 54 -4.994 -1.797 8.096 1.00 0.00 C ATOM 829 O ASN A 54 -3.799 -1.929 8.259 1.00 0.00 O ATOM 830 CB ASN A 54 -6.832 -1.544 9.713 1.00 0.00 C ATOM 831 CG ASN A 54 -6.604 -1.325 11.200 1.00 0.00 C ATOM 832 OD1 ASN A 54 -7.144 -0.413 11.798 1.00 0.00 O ATOM 833 ND2 ASN A 54 -5.819 -2.199 11.790 1.00 0.00 N ATOM 0 H ASN A 54 -7.348 0.057 7.799 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.116 -0.260 9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.828 -1.201 9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.783 -2.607 9.478 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.640 -2.129 12.792 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.389 -2.947 11.246 1.00 0.00 H new ATOM 840 N TRP A 55 -5.688 -2.470 7.185 1.00 0.00 N ATOM 841 CA TRP A 55 -5.082 -3.458 6.278 1.00 0.00 C ATOM 842 C TRP A 55 -3.755 -2.947 5.690 1.00 0.00 C ATOM 843 O TRP A 55 -2.725 -3.609 5.781 1.00 0.00 O ATOM 844 CB TRP A 55 -6.048 -3.824 5.145 1.00 0.00 C ATOM 845 CG TRP A 55 -6.267 -2.691 4.123 1.00 0.00 C ATOM 846 CD1 TRP A 55 -6.988 -1.588 4.315 1.00 0.00 C ATOM 847 CD2 TRP A 55 -5.698 -2.606 2.864 1.00 0.00 C ATOM 848 NE1 TRP A 55 -6.894 -0.797 3.239 1.00 0.00 N ATOM 849 CE2 TRP A 55 -6.150 -1.393 2.305 1.00 0.00 C ATOM 850 CE3 TRP A 55 -4.888 -3.457 2.095 1.00 0.00 C ATOM 851 CZ2 TRP A 55 -5.853 -1.074 0.968 1.00 0.00 C ATOM 852 CZ3 TRP A 55 -4.652 -3.173 0.741 1.00 0.00 C ATOM 853 CH2 TRP A 55 -5.132 -1.975 0.177 1.00 0.00 C ATOM 0 H TRP A 55 -6.692 -2.350 7.048 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.873 -4.351 6.867 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.666 -4.702 4.624 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.010 -4.103 5.576 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.561 -1.366 5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.326 0.122 3.147 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.445 -4.332 2.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.182 -0.133 0.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.102 -3.874 0.131 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.944 -1.753 -0.863 1.00 0.00 H new ATOM 864 N VAL A 56 -3.791 -1.655 5.348 1.00 0.00 N ATOM 865 CA VAL A 56 -2.592 -0.932 4.897 1.00 0.00 C ATOM 866 C VAL A 56 -1.563 -0.908 6.014 1.00 0.00 C ATOM 867 O VAL A 56 -0.476 -1.447 5.824 1.00 0.00 O ATOM 868 CB VAL A 56 -2.990 0.472 4.413 1.00 0.00 C ATOM 869 CG1 VAL A 56 -1.856 1.483 4.571 1.00 0.00 C ATOM 870 CG2 VAL A 56 -3.399 0.403 2.953 1.00 0.00 C ATOM 0 H VAL A 56 -4.637 -1.086 5.374 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.131 -1.441 4.051 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.822 0.809 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.186 2.459 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.577 1.555 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.994 1.157 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.682 1.397 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.563 0.036 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.247 -0.274 2.844 1.00 0.00 H new ATOM 880 N LYS A 57 -1.902 -0.277 7.128 1.00 0.00 N ATOM 881 CA LYS A 57 -1.011 -0.190 8.290 1.00 0.00 C ATOM 882 C LYS A 57 -0.430 -1.573 8.610 1.00 0.00 C ATOM 883 O LYS A 57 0.731 -1.641 8.928 1.00 0.00 O ATOM 884 CB LYS A 57 -1.730 0.422 9.514 1.00 0.00 C ATOM 885 CG LYS A 57 -2.193 -0.599 10.565 1.00 0.00 C ATOM 886 CD LYS A 57 -2.739 0.010 11.837 1.00 0.00 C ATOM 887 CE LYS A 57 -2.003 -0.572 13.052 1.00 0.00 C ATOM 888 NZ LYS A 57 -0.909 0.321 13.435 1.00 0.00 N ATOM 0 H LYS A 57 -2.799 0.190 7.258 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.188 0.480 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.060 1.136 9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.597 0.983 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.961 -1.233 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.353 -1.246 10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.619 1.093 11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.807 -0.191 11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.695 -0.694 13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.612 -1.561 12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.411 -0.074 14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.244 0.416 12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.293 1.256 13.679 1.00 0.00 H new ATOM 902 N ARG A 58 -1.232 -2.625 8.479 1.00 0.00 N ATOM 903 CA ARG A 58 -0.828 -4.009 8.761 1.00 0.00 C ATOM 904 C ARG A 58 0.224 -4.456 7.755 1.00 0.00 C ATOM 905 O ARG A 58 1.328 -4.844 8.107 1.00 0.00 O ATOM 906 CB ARG A 58 -2.025 -4.950 8.658 1.00 0.00 C ATOM 907 CG ARG A 58 -2.083 -5.904 9.847 1.00 0.00 C ATOM 908 CD ARG A 58 -2.658 -5.160 11.054 1.00 0.00 C ATOM 909 NE ARG A 58 -3.455 -6.080 11.863 1.00 0.00 N ATOM 910 CZ ARG A 58 -3.746 -5.922 13.157 1.00 0.00 C ATOM 911 NH1 ARG A 58 -3.290 -4.873 13.835 1.00 0.00 N ATOM 912 NH2 ARG A 58 -4.497 -6.817 13.786 1.00 0.00 N ATOM 0 H ARG A 58 -2.200 -2.544 8.168 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.423 -4.044 9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.945 -4.368 8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.962 -5.522 7.732 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.703 -6.768 9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.086 -6.281 10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.850 -4.739 11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.275 -4.326 10.720 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.820 -6.913 11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.710 -4.176 13.367 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.520 -4.765 14.823 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.854 -7.628 13.281 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.717 -6.694 14.774 1.00 0.00 H new ATOM 926 N ALA A 59 -0.118 -4.363 6.480 1.00 0.00 N ATOM 927 CA ALA A 59 0.833 -4.723 5.430 1.00 0.00 C ATOM 928 C ALA A 59 2.095 -3.860 5.483 1.00 0.00 C ATOM 929 O ALA A 59 3.204 -4.389 5.523 1.00 0.00 O ATOM 930 CB ALA A 59 0.133 -4.544 4.112 1.00 0.00 C ATOM 0 H ALA A 59 -1.029 -4.048 6.147 1.00 0.00 H new ATOM 0 HA ALA A 59 1.156 -5.755 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.813 -4.804 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.742 -5.193 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.180 -3.505 4.004 1.00 0.00 H new ATOM 936 N VAL A 60 1.907 -2.594 5.824 1.00 0.00 N ATOM 937 CA VAL A 60 3.003 -1.641 6.028 1.00 0.00 C ATOM 938 C VAL A 60 3.683 -1.915 7.367 1.00 0.00 C ATOM 939 O VAL A 60 4.817 -1.543 7.539 1.00 0.00 O ATOM 940 CB VAL A 60 2.514 -0.185 5.953 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.643 0.840 6.028 1.00 0.00 C ATOM 942 CG2 VAL A 60 1.823 0.011 4.620 1.00 0.00 C ATOM 0 H VAL A 60 0.982 -2.189 5.970 1.00 0.00 H new ATOM 0 HA VAL A 60 3.726 -1.778 5.224 1.00 0.00 H new ATOM 0 HB VAL A 60 1.857 -0.025 6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.226 1.845 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.178 0.724 6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.332 0.684 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.466 1.038 4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.527 -0.191 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.978 -0.673 4.544 1.00 0.00 H new ATOM 952 N ASN A 61 3.026 -2.617 8.262 1.00 0.00 N ATOM 953 CA ASN A 61 3.529 -2.925 9.605 1.00 0.00 C ATOM 954 C ASN A 61 4.699 -3.893 9.480 1.00 0.00 C ATOM 955 O ASN A 61 5.818 -3.577 9.847 1.00 0.00 O ATOM 956 CB ASN A 61 2.444 -3.586 10.468 1.00 0.00 C ATOM 957 CG ASN A 61 2.809 -3.643 11.937 1.00 0.00 C ATOM 958 OD1 ASN A 61 3.671 -2.922 12.414 1.00 0.00 O ATOM 959 ND2 ASN A 61 2.108 -4.485 12.648 1.00 0.00 N ATOM 0 H ASN A 61 2.100 -3.006 8.083 1.00 0.00 H new ATOM 0 HA ASN A 61 3.836 -1.993 10.080 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.510 -3.036 10.352 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.265 -4.598 10.104 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.270 -4.563 13.652 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.399 -5.065 12.199 1.00 0.00 H new ATOM 966 N LEU A 62 4.424 -5.036 8.867 1.00 0.00 N ATOM 967 CA LEU A 62 5.480 -6.034 8.618 1.00 0.00 C ATOM 968 C LEU A 62 6.595 -5.451 7.741 1.00 0.00 C ATOM 969 O LEU A 62 7.782 -5.579 8.053 1.00 0.00 O ATOM 970 CB LEU A 62 4.926 -7.309 7.981 1.00 0.00 C ATOM 971 CG LEU A 62 4.189 -8.181 9.000 1.00 0.00 C ATOM 972 CD1 LEU A 62 2.676 -7.928 8.961 1.00 0.00 C ATOM 973 CD2 LEU A 62 4.467 -9.656 8.699 1.00 0.00 C ATOM 0 H LEU A 62 3.497 -5.302 8.534 1.00 0.00 H new ATOM 0 HA LEU A 62 5.897 -6.299 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.247 -7.045 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.743 -7.879 7.539 1.00 0.00 H new ATOM 0 HG LEU A 62 4.551 -7.924 9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.182 -8.563 9.696 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.476 -6.882 9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.294 -8.160 7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.943 -10.280 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.117 -9.895 7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.538 -9.845 8.765 1.00 0.00 H new ATOM 985 N LEU A 63 6.191 -4.658 6.754 1.00 0.00 N ATOM 986 CA LEU A 63 7.147 -3.925 5.913 1.00 0.00 C ATOM 987 C LEU A 63 7.887 -2.854 6.707 1.00 0.00 C ATOM 988 O LEU A 63 8.996 -2.489 6.344 1.00 0.00 O ATOM 989 CB LEU A 63 6.465 -3.324 4.700 1.00 0.00 C ATOM 990 CG LEU A 63 6.970 -1.997 4.107 1.00 0.00 C ATOM 991 CD1 LEU A 63 6.684 -1.847 2.619 1.00 0.00 C ATOM 992 CD2 LEU A 63 6.339 -0.830 4.862 1.00 0.00 C ATOM 0 H LEU A 63 5.212 -4.503 6.513 1.00 0.00 H new ATOM 0 HA LEU A 63 7.886 -4.645 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.504 -4.069 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.415 -3.185 4.955 1.00 0.00 H new ATOM 0 HG LEU A 63 8.054 -1.998 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.068 -0.889 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.171 -2.654 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.608 -1.891 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.696 0.110 4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.254 -0.880 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.615 -0.886 5.915 1.00 0.00 H new ATOM 1004 N SER A 64 7.266 -2.352 7.752 1.00 0.00 N ATOM 1005 CA SER A 64 7.813 -1.256 8.570 1.00 0.00 C ATOM 1006 C SER A 64 9.078 -1.758 9.233 1.00 0.00 C ATOM 1007 O SER A 64 10.127 -1.216 8.942 1.00 0.00 O ATOM 1008 CB SER A 64 6.859 -0.842 9.694 1.00 0.00 C ATOM 1009 OG SER A 64 6.721 0.578 9.749 1.00 0.00 O ATOM 0 H SER A 64 6.357 -2.686 8.073 1.00 0.00 H new ATOM 0 HA SER A 64 7.982 -0.401 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.883 -1.300 9.535 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.233 -1.212 10.649 1.00 0.00 H new ATOM 0 HG SER A 64 6.106 0.819 10.473 1.00 0.00 H new ATOM 1015 N LEU A 65 9.012 -2.935 9.846 1.00 0.00 N ATOM 1016 CA LEU A 65 10.208 -3.565 10.440 1.00 0.00 C ATOM 1017 C LEU A 65 11.192 -4.043 9.354 1.00 0.00 C ATOM 1018 O LEU A 65 12.398 -4.144 9.572 1.00 0.00 O ATOM 1019 CB LEU A 65 9.792 -4.720 11.359 1.00 0.00 C ATOM 1020 CG LEU A 65 8.985 -4.230 12.564 1.00 0.00 C ATOM 1021 CD1 LEU A 65 7.795 -5.167 12.795 1.00 0.00 C ATOM 1022 CD2 LEU A 65 9.854 -4.118 13.823 1.00 0.00 C ATOM 0 H LEU A 65 8.154 -3.477 9.949 1.00 0.00 H new ATOM 0 HA LEU A 65 10.729 -2.816 11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.199 -5.438 10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.681 -5.245 11.707 1.00 0.00 H new ATOM 0 HG LEU A 65 8.615 -3.228 12.349 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.219 -4.819 13.653 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.159 -5.173 11.910 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.159 -6.176 12.987 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.244 -3.767 14.656 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.271 -5.095 14.065 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.665 -3.412 13.644 1.00 0.00 H new ATOM 1034 N ARG A 66 10.653 -4.297 8.163 1.00 0.00 N ATOM 1035 CA ARG A 66 11.450 -4.733 6.999 1.00 0.00 C ATOM 1036 C ARG A 66 12.234 -3.563 6.391 1.00 0.00 C ATOM 1037 O ARG A 66 13.462 -3.599 6.302 1.00 0.00 O ATOM 1038 CB ARG A 66 10.548 -5.345 5.924 1.00 0.00 C ATOM 1039 CG ARG A 66 11.096 -6.696 5.482 1.00 0.00 C ATOM 1040 CD ARG A 66 11.138 -6.764 3.960 1.00 0.00 C ATOM 1041 NE ARG A 66 10.453 -7.974 3.475 1.00 0.00 N ATOM 1042 CZ ARG A 66 10.446 -8.401 2.209 1.00 0.00 C ATOM 1043 NH1 ARG A 66 11.109 -7.737 1.262 1.00 0.00 N ATOM 1044 NH2 ARG A 66 9.776 -9.494 1.891 1.00 0.00 N ATOM 0 H ARG A 66 9.655 -4.209 7.970 1.00 0.00 H new ATOM 0 HA ARG A 66 12.156 -5.485 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.537 -5.464 6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.483 -4.673 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.096 -6.844 5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.471 -7.498 5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.664 -5.878 3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.173 -6.765 3.619 1.00 0.00 H new ATOM 0 HE ARG A 66 9.943 -8.531 4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.629 -6.893 1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.096 -8.073 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.267 -10.008 2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.767 -9.824 0.926 1.00 0.00 H new ATOM 1058 N VAL A 67 11.517 -2.497 6.043 1.00 0.00 N ATOM 1059 CA VAL A 67 12.097 -1.266 5.477 1.00 0.00 C ATOM 1060 C VAL A 67 12.491 -0.290 6.612 1.00 0.00 C ATOM 1061 O VAL A 67 12.449 0.937 6.463 1.00 0.00 O ATOM 1062 CB VAL A 67 11.126 -0.689 4.444 1.00 0.00 C ATOM 1063 CG1 VAL A 67 10.066 0.245 5.043 1.00 0.00 C ATOM 1064 CG2 VAL A 67 11.922 -0.010 3.329 1.00 0.00 C ATOM 0 H VAL A 67 10.503 -2.456 6.145 1.00 0.00 H new ATOM 0 HA VAL A 67 13.026 -1.473 4.946 1.00 0.00 H new ATOM 0 HB VAL A 67 10.555 -1.520 4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.416 0.614 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.471 -0.302 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.557 1.087 5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.235 0.403 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.526 0.793 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.573 -0.741 2.850 1.00 0.00 H new ATOM 1074 N LYS A 68 12.895 -0.851 7.735 1.00 0.00 N ATOM 1075 CA LYS A 68 13.314 -0.043 8.891 1.00 0.00 C ATOM 1076 C LYS A 68 14.057 -0.934 9.878 1.00 0.00 C ATOM 1077 O LYS A 68 13.495 -1.586 10.759 1.00 0.00 O ATOM 1078 CB LYS A 68 12.119 0.620 9.561 1.00 0.00 C ATOM 1079 CG LYS A 68 12.387 1.971 10.212 1.00 0.00 C ATOM 1080 CD LYS A 68 11.873 3.100 9.328 1.00 0.00 C ATOM 1081 CE LYS A 68 11.517 4.285 10.218 1.00 0.00 C ATOM 1082 NZ LYS A 68 11.559 5.536 9.452 1.00 0.00 N ATOM 0 H LYS A 68 12.946 -1.859 7.883 1.00 0.00 H new ATOM 0 HA LYS A 68 13.976 0.752 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.333 0.747 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.731 -0.058 10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.901 2.014 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.457 2.093 10.383 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.632 3.387 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.999 2.773 8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.522 4.144 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.213 4.341 11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.314 6.332 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.516 5.677 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.877 5.486 8.668 1.00 0.00 H new ATOM 1096 N LYS A 69 15.352 -0.965 9.623 1.00 0.00 N ATOM 1097 CA LYS A 69 16.264 -1.737 10.479 1.00 0.00 C ATOM 1098 C LYS A 69 16.464 -0.983 11.808 1.00 0.00 C ATOM 1099 O LYS A 69 15.806 0.026 12.070 1.00 0.00 O ATOM 1100 CB LYS A 69 17.568 -1.997 9.721 1.00 0.00 C ATOM 1101 CG LYS A 69 18.109 -3.388 10.048 1.00 0.00 C ATOM 1102 CD LYS A 69 18.456 -4.187 8.793 1.00 0.00 C ATOM 1103 CE LYS A 69 17.236 -4.890 8.200 1.00 0.00 C ATOM 1104 NZ LYS A 69 17.684 -5.951 7.276 1.00 0.00 N ATOM 0 H LYS A 69 15.800 -0.478 8.847 1.00 0.00 H new ATOM 0 HA LYS A 69 15.847 -2.713 10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.395 -1.910 8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.307 -1.241 9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.998 -3.292 10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 69 17.368 -3.935 10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.887 -3.519 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.218 -4.928 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.627 -5.319 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.610 -4.172 7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.855 -6.431 6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.248 -5.529 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.264 -6.641 7.795 1.00 0.00 H new ATOM 1118 N MET A 70 17.333 -1.534 12.648 1.00 0.00 N ATOM 1119 CA MET A 70 17.628 -0.973 13.988 1.00 0.00 C ATOM 1120 C MET A 70 18.712 -1.767 14.729 1.00 0.00 C ATOM 1121 O MET A 70 19.815 -1.206 14.909 1.00 0.00 O ATOM 1122 CB MET A 70 16.360 -0.967 14.839 1.00 0.00 C ATOM 1123 CG MET A 70 16.323 0.249 15.773 1.00 0.00 C ATOM 1124 SD MET A 70 15.962 1.800 14.893 1.00 0.00 S ATOM 1125 CE MET A 70 17.429 2.734 15.309 1.00 0.00 C ATOM 1126 OXT MET A 70 18.438 -2.951 15.035 1.00 0.00 O ATOM 0 H MET A 70 17.859 -2.381 12.432 1.00 0.00 H new ATOM 0 HA MET A 70 17.995 0.042 13.833 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.484 -0.957 14.190 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.310 -1.883 15.428 1.00 0.00 H new ATOM 0 HG2 MET A 70 15.568 0.088 16.542 1.00 0.00 H new ATOM 0 HG3 MET A 70 17.282 0.340 16.282 1.00 0.00 H new ATOM 0 HE1 MET A 70 17.375 3.720 14.848 1.00 0.00 H new ATOM 0 HE2 MET A 70 17.496 2.842 16.391 1.00 0.00 H new ATOM 0 HE3 MET A 70 18.311 2.209 14.941 1.00 0.00 H new TER 1136 MET A 70