USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 936 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 80 MET CE :methyl -107:sc= -3.44! (180deg=-6.73!) USER MOD Set 1.2: A 81 MET CE :methyl -117:sc= -0.821 (180deg=-9.47!) USER MOD Set 1.3: A 153 MET CE :methyl 161:sc= -2.44! (180deg=-2.45) USER MOD Set 1.4: A 154 MET CE :methyl 151:sc= -3.26 (180deg=-7.55!) USER MOD Set 2.1: A 69 SER OG : rot -8:sc= 1.14 USER MOD Set 2.2: A 71 THR OG1 : rot 32:sc= 0.0251 USER MOD Single : A 1 MET CE :methyl -104:sc= -0.025 (180deg=-3.41!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -10:sc= -1.02! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.38) USER MOD Single : A 13 THR OG1 : rot -148:sc= -3.06! USER MOD Single : A 16 GLN : amide:sc= -1.76 K(o=-1.8,f=-9.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.916 K(o=0.92,f=-6!) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.141) USER MOD Single : A 35 SER OG : rot -86:sc= 0.514 USER MOD Single : A 37 SER OG : rot -104:sc= 0.329 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= -0.642 (180deg=-1.23) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 0.806 (180deg=0.594) USER MOD Single : A 45 MET CE :methyl 163:sc= -3.15! (180deg=-3.87!) USER MOD Single : A 47 MET CE :methyl 177:sc= -2.78! (180deg=-2.9) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0696 X(o=-0.07,f=-0.012) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -124:sc= -0.167 (180deg=-0.484) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 143:sc= -2.77! (180deg=-4.66!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= 0.88 (180deg=0.196) USER MOD Single : A 137 LYS NZ :NH3+ -169:sc= -0.0112 (180deg=-0.149) USER MOD Single : A 139 LYS NZ :NH3+ 161:sc= 1.5 (180deg=1.23) USER MOD Single : A 142 THR OG1 : rot -30:sc= 0.235 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 155 GLN : amide:sc= -0.831 X(o=-0.83,f=-1.1) USER MOD Single : A 163 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0122) USER MOD Single : A 165 HIS : no HD1:sc= -0.0585 K(o=1.4,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.801 -10.881 -7.658 1.00 0.00 N ATOM 2 CA MET A 1 -0.301 -10.430 -6.781 1.00 0.00 C ATOM 3 C MET A 1 -1.118 -11.618 -6.311 1.00 0.00 C ATOM 4 O MET A 1 -1.648 -12.370 -7.125 1.00 0.00 O ATOM 5 CB MET A 1 -1.222 -9.459 -7.525 1.00 0.00 C ATOM 6 CG MET A 1 -2.512 -9.161 -6.775 1.00 0.00 C ATOM 7 SD MET A 1 -3.785 -8.446 -7.819 1.00 0.00 S ATOM 8 CE MET A 1 -3.273 -6.742 -7.801 1.00 0.00 C ATOM 0 H1 MET A 1 1.353 -10.058 -7.973 1.00 0.00 H new ATOM 0 H2 MET A 1 1.419 -11.532 -7.132 1.00 0.00 H new ATOM 0 H3 MET A 1 0.407 -11.371 -8.486 1.00 0.00 H new ATOM 0 HA MET A 1 0.140 -9.923 -5.923 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.688 -8.525 -7.701 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.466 -9.876 -8.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.889 -10.083 -6.332 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.298 -8.477 -5.954 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.927 -6.172 -7.141 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.246 -6.674 -7.441 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.331 -6.334 -8.810 1.00 0.00 H new ATOM 20 N ASP A 2 -1.224 -11.788 -5.003 1.00 0.00 N ATOM 21 CA ASP A 2 -2.076 -12.832 -4.455 1.00 0.00 C ATOM 22 C ASP A 2 -3.537 -12.432 -4.621 1.00 0.00 C ATOM 23 O ASP A 2 -4.020 -11.511 -3.956 1.00 0.00 O ATOM 24 CB ASP A 2 -1.756 -13.089 -2.980 1.00 0.00 C ATOM 25 CG ASP A 2 -0.390 -13.701 -2.765 1.00 0.00 C ATOM 26 OD1 ASP A 2 -0.280 -14.943 -2.800 1.00 0.00 O ATOM 27 OD2 ASP A 2 0.583 -12.947 -2.547 1.00 0.00 O1- ATOM 0 H ASP A 2 -0.737 -11.224 -4.307 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.889 -13.758 -4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.816 -12.148 -2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.514 -13.751 -2.560 1.00 0.00 H new ATOM 32 N ASP A 3 -4.232 -13.122 -5.518 1.00 0.00 N ATOM 33 CA ASP A 3 -5.604 -12.766 -5.890 1.00 0.00 C ATOM 34 C ASP A 3 -6.589 -12.952 -4.745 1.00 0.00 C ATOM 35 O ASP A 3 -7.720 -12.483 -4.823 1.00 0.00 O ATOM 36 CB ASP A 3 -6.074 -13.577 -7.094 1.00 0.00 C ATOM 37 CG ASP A 3 -6.063 -15.070 -6.829 1.00 0.00 C ATOM 38 OD1 ASP A 3 -4.972 -15.678 -6.873 1.00 0.00 O ATOM 39 OD2 ASP A 3 -7.140 -15.640 -6.560 1.00 0.00 O1- ATOM 0 H ASP A 3 -3.867 -13.939 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.582 -11.707 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.083 -13.267 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.433 -13.358 -7.948 1.00 0.00 H new ATOM 44 N ILE A 4 -6.177 -13.636 -3.689 1.00 0.00 N ATOM 45 CA ILE A 4 -6.995 -13.713 -2.484 1.00 0.00 C ATOM 46 C ILE A 4 -7.309 -12.300 -1.995 1.00 0.00 C ATOM 47 O ILE A 4 -8.431 -11.989 -1.606 1.00 0.00 O ATOM 48 CB ILE A 4 -6.307 -14.521 -1.360 1.00 0.00 C ATOM 49 CG1 ILE A 4 -7.036 -14.314 -0.024 1.00 0.00 C ATOM 50 CG2 ILE A 4 -4.843 -14.146 -1.251 1.00 0.00 C ATOM 51 CD1 ILE A 4 -6.379 -15.012 1.145 1.00 0.00 C ATOM 0 H ILE A 4 -5.292 -14.141 -3.639 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.916 -14.237 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.361 -15.580 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.091 -13.246 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.061 -14.673 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.377 -14.726 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.342 -14.359 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.755 -13.083 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.951 -14.819 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.348 -16.085 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.364 -14.636 1.270 1.00 0.00 H new ATOM 63 N TYR A 5 -6.306 -11.440 -2.060 1.00 0.00 N ATOM 64 CA TYR A 5 -6.450 -10.061 -1.639 1.00 0.00 C ATOM 65 C TYR A 5 -7.048 -9.215 -2.738 1.00 0.00 C ATOM 66 O TYR A 5 -7.667 -8.205 -2.469 1.00 0.00 O ATOM 67 CB TYR A 5 -5.118 -9.490 -1.225 1.00 0.00 C ATOM 68 CG TYR A 5 -4.425 -10.334 -0.211 1.00 0.00 C ATOM 69 CD1 TYR A 5 -3.314 -11.065 -0.562 1.00 0.00 C ATOM 70 CD2 TYR A 5 -4.901 -10.416 1.084 1.00 0.00 C ATOM 71 CE1 TYR A 5 -2.676 -11.879 0.359 1.00 0.00 C ATOM 72 CE2 TYR A 5 -4.276 -11.214 2.016 1.00 0.00 C ATOM 73 CZ TYR A 5 -3.162 -11.949 1.651 1.00 0.00 C ATOM 74 OH TYR A 5 -2.542 -12.758 2.575 1.00 0.00 O ATOM 0 H TYR A 5 -5.376 -11.678 -2.404 1.00 0.00 H new ATOM 0 HA TYR A 5 -7.126 -10.046 -0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.481 -9.388 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.266 -8.489 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.934 -11.003 -1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.774 -9.847 1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.808 -12.453 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.653 -11.266 3.027 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.886 -13.328 2.122 1.00 0.00 H new ATOM 84 N LYS A 6 -6.844 -9.615 -3.977 1.00 0.00 N ATOM 85 CA LYS A 6 -7.478 -8.930 -5.090 1.00 0.00 C ATOM 86 C LYS A 6 -8.979 -9.125 -4.981 1.00 0.00 C ATOM 87 O LYS A 6 -9.755 -8.260 -5.357 1.00 0.00 O ATOM 88 CB LYS A 6 -6.966 -9.467 -6.415 1.00 0.00 C ATOM 89 CG LYS A 6 -7.203 -8.526 -7.584 1.00 0.00 C ATOM 90 CD LYS A 6 -7.668 -9.278 -8.816 1.00 0.00 C ATOM 91 CE LYS A 6 -9.058 -9.867 -8.639 1.00 0.00 C ATOM 92 NZ LYS A 6 -9.495 -10.612 -9.852 1.00 0.00 N1+ ATOM 0 H LYS A 6 -6.251 -10.402 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.238 -7.867 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.898 -9.665 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.451 -10.421 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.949 -7.781 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.283 -7.987 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.667 -8.604 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.962 -10.078 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.064 -10.536 -7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.768 -9.068 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.447 -11.000 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.513 -9.967 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.830 -11.390 -10.040 1.00 0.00 H new ATOM 106 N ALA A 7 -9.374 -10.277 -4.452 1.00 0.00 N ATOM 107 CA ALA A 7 -10.767 -10.550 -4.154 1.00 0.00 C ATOM 108 C ALA A 7 -11.187 -9.881 -2.854 1.00 0.00 C ATOM 109 O ALA A 7 -12.371 -9.660 -2.619 1.00 0.00 O ATOM 110 CB ALA A 7 -11.048 -12.030 -4.131 1.00 0.00 C ATOM 0 H ALA A 7 -8.739 -11.041 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.368 -10.122 -4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.101 -12.197 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.814 -12.460 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.433 -12.505 -3.367 1.00 0.00 H new ATOM 116 N ALA A 8 -10.225 -9.607 -1.984 1.00 0.00 N ATOM 117 CA ALA A 8 -10.477 -8.720 -0.861 1.00 0.00 C ATOM 118 C ALA A 8 -10.616 -7.280 -1.383 1.00 0.00 C ATOM 119 O ALA A 8 -11.296 -6.461 -0.781 1.00 0.00 O ATOM 120 CB ALA A 8 -9.390 -8.851 0.207 1.00 0.00 C ATOM 0 H ALA A 8 -9.277 -9.980 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.410 -9.002 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.608 -8.174 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.363 -9.877 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.423 -8.596 -0.225 1.00 0.00 H new ATOM 126 N VAL A 9 -9.968 -6.988 -2.516 1.00 0.00 N ATOM 127 CA VAL A 9 -10.219 -5.756 -3.277 1.00 0.00 C ATOM 128 C VAL A 9 -11.580 -5.846 -3.978 1.00 0.00 C ATOM 129 O VAL A 9 -12.255 -4.839 -4.191 1.00 0.00 O ATOM 130 CB VAL A 9 -9.095 -5.477 -4.323 1.00 0.00 C ATOM 131 CG1 VAL A 9 -9.496 -4.339 -5.261 1.00 0.00 C ATOM 132 CG2 VAL A 9 -7.780 -5.142 -3.624 1.00 0.00 C ATOM 0 H VAL A 9 -9.259 -7.593 -2.930 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.223 -4.925 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.955 -6.381 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.697 -4.163 -5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.409 -4.609 -5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.668 -3.433 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.009 -4.951 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.913 -4.255 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.477 -5.981 -2.997 1.00 0.00 H new ATOM 142 N GLU A 10 -11.985 -7.067 -4.326 1.00 0.00 N ATOM 143 CA GLU A 10 -13.333 -7.312 -4.820 1.00 0.00 C ATOM 144 C GLU A 10 -14.322 -7.130 -3.666 1.00 0.00 C ATOM 145 O GLU A 10 -15.498 -6.813 -3.853 1.00 0.00 O ATOM 146 CB GLU A 10 -13.463 -8.727 -5.385 1.00 0.00 C ATOM 147 CG GLU A 10 -12.474 -9.034 -6.488 1.00 0.00 C ATOM 148 CD GLU A 10 -12.619 -10.430 -7.059 1.00 0.00 C ATOM 149 OE1 GLU A 10 -11.603 -11.140 -7.188 1.00 0.00 O ATOM 150 OE2 GLU A 10 -13.759 -10.819 -7.394 1.00 0.00 O1- ATOM 0 H GLU A 10 -11.397 -7.899 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.548 -6.605 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.327 -9.445 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.474 -8.865 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.600 -8.307 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.462 -8.911 -6.102 1.00 0.00 H new ATOM 157 N GLN A 11 -13.795 -7.371 -2.470 1.00 0.00 N ATOM 158 CA GLN A 11 -14.512 -7.231 -1.212 1.00 0.00 C ATOM 159 C GLN A 11 -14.560 -5.769 -0.795 1.00 0.00 C ATOM 160 O GLN A 11 -15.530 -5.313 -0.188 1.00 0.00 O ATOM 161 CB GLN A 11 -13.809 -8.068 -0.162 1.00 0.00 C ATOM 162 CG GLN A 11 -14.425 -8.011 1.197 1.00 0.00 C ATOM 163 CD GLN A 11 -15.940 -8.138 1.194 1.00 0.00 C ATOM 164 OE1 GLN A 11 -16.621 -7.525 2.012 1.00 0.00 O ATOM 165 NE2 GLN A 11 -16.473 -8.976 0.315 1.00 0.00 N ATOM 0 H GLN A 11 -12.830 -7.678 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.539 -7.578 -1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.793 -9.106 -0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.772 -7.740 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.005 -8.809 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.150 -7.068 1.670 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.875 -9.467 -0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.481 -9.129 0.303 1.00 0.00 H new ATOM 174 N LEU A 12 -13.483 -5.056 -1.103 1.00 0.00 N ATOM 175 CA LEU A 12 -13.419 -3.630 -0.924 1.00 0.00 C ATOM 176 C LEU A 12 -14.512 -2.963 -1.725 1.00 0.00 C ATOM 177 O LEU A 12 -14.733 -3.295 -2.888 1.00 0.00 O ATOM 178 CB LEU A 12 -12.065 -3.119 -1.397 1.00 0.00 C ATOM 179 CG LEU A 12 -10.872 -3.447 -0.515 1.00 0.00 C ATOM 180 CD1 LEU A 12 -9.595 -2.866 -1.106 1.00 0.00 C ATOM 181 CD2 LEU A 12 -11.103 -2.905 0.869 1.00 0.00 C ATOM 0 H LEU A 12 -12.630 -5.464 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.552 -3.396 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.876 -3.523 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.126 -2.036 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.759 -4.530 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.751 -3.111 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.428 -3.288 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.690 -1.783 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.246 -3.141 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.230 -1.824 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.000 -3.357 1.292 1.00 0.00 H new ATOM 193 N THR A 13 -15.184 -2.016 -1.113 1.00 0.00 N ATOM 194 CA THR A 13 -16.217 -1.297 -1.812 1.00 0.00 C ATOM 195 C THR A 13 -15.552 -0.292 -2.729 1.00 0.00 C ATOM 196 O THR A 13 -14.350 -0.052 -2.596 1.00 0.00 O ATOM 197 CB THR A 13 -17.183 -0.567 -0.851 1.00 0.00 C ATOM 198 OG1 THR A 13 -16.549 0.590 -0.304 1.00 0.00 O ATOM 199 CG2 THR A 13 -17.613 -1.468 0.295 1.00 0.00 C ATOM 0 H THR A 13 -15.035 -1.730 -0.145 1.00 0.00 H new ATOM 0 HA THR A 13 -16.815 -2.013 -2.376 1.00 0.00 H new ATOM 0 HB THR A 13 -18.063 -0.282 -1.428 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.885 0.749 0.603 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.292 -0.923 0.951 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.121 -2.346 -0.104 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.735 -1.782 0.860 1.00 0.00 H new ATOM 207 N GLU A 14 -16.289 0.288 -3.655 1.00 0.00 N ATOM 208 CA GLU A 14 -15.722 1.334 -4.488 1.00 0.00 C ATOM 209 C GLU A 14 -15.242 2.452 -3.569 1.00 0.00 C ATOM 210 O GLU A 14 -14.206 3.062 -3.796 1.00 0.00 O ATOM 211 CB GLU A 14 -16.765 1.847 -5.487 1.00 0.00 C ATOM 212 CG GLU A 14 -16.178 2.468 -6.751 1.00 0.00 C ATOM 213 CD GLU A 14 -15.473 3.792 -6.516 1.00 0.00 C ATOM 214 OE1 GLU A 14 -14.248 3.867 -6.747 1.00 0.00 O ATOM 215 OE2 GLU A 14 -16.146 4.766 -6.120 1.00 0.00 O1- ATOM 0 H GLU A 14 -17.264 0.060 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.884 0.949 -5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.415 1.019 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.392 2.588 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.472 1.766 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.978 2.617 -7.476 1.00 0.00 H new ATOM 222 N GLU A 15 -15.992 2.653 -2.489 1.00 0.00 N ATOM 223 CA GLU A 15 -15.650 3.628 -1.463 1.00 0.00 C ATOM 224 C GLU A 15 -14.335 3.253 -0.776 1.00 0.00 C ATOM 225 O GLU A 15 -13.454 4.097 -0.608 1.00 0.00 O ATOM 226 CB GLU A 15 -16.771 3.722 -0.418 1.00 0.00 C ATOM 227 CG GLU A 15 -18.105 4.215 -0.967 1.00 0.00 C ATOM 228 CD GLU A 15 -18.790 3.221 -1.887 1.00 0.00 C ATOM 229 OE1 GLU A 15 -18.911 3.506 -3.096 1.00 0.00 O ATOM 230 OE2 GLU A 15 -19.210 2.146 -1.408 1.00 0.00 O1- ATOM 0 H GLU A 15 -16.855 2.142 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.530 4.598 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.917 2.739 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.451 4.391 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.769 4.443 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.943 5.147 -1.509 1.00 0.00 H new ATOM 237 N GLN A 16 -14.217 1.985 -0.369 1.00 0.00 N ATOM 238 CA GLN A 16 -12.998 1.481 0.245 1.00 0.00 C ATOM 239 C GLN A 16 -11.804 1.658 -0.679 1.00 0.00 C ATOM 240 O GLN A 16 -10.786 2.237 -0.306 1.00 0.00 O ATOM 241 CB GLN A 16 -13.152 0.023 0.604 1.00 0.00 C ATOM 242 CG GLN A 16 -14.305 -0.194 1.537 1.00 0.00 C ATOM 243 CD GLN A 16 -14.265 -1.538 2.219 1.00 0.00 C ATOM 244 OE1 GLN A 16 -14.800 -2.524 1.714 1.00 0.00 O ATOM 245 NE2 GLN A 16 -13.623 -1.587 3.372 1.00 0.00 N ATOM 0 H GLN A 16 -14.959 1.291 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.821 2.058 1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.302 -0.562 -0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.234 -0.337 1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.306 0.591 2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -15.238 -0.102 0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.194 -0.744 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.556 -2.468 3.881 1.00 0.00 H new ATOM 254 N LYS A 17 -11.948 1.141 -1.890 1.00 0.00 N ATOM 255 CA LYS A 17 -10.944 1.281 -2.919 1.00 0.00 C ATOM 256 C LYS A 17 -10.607 2.748 -3.171 1.00 0.00 C ATOM 257 O LYS A 17 -9.442 3.114 -3.305 1.00 0.00 O ATOM 258 CB LYS A 17 -11.453 0.610 -4.186 1.00 0.00 C ATOM 259 CG LYS A 17 -11.666 -0.882 -3.994 1.00 0.00 C ATOM 260 CD LYS A 17 -12.350 -1.529 -5.186 1.00 0.00 C ATOM 261 CE LYS A 17 -11.611 -1.231 -6.471 1.00 0.00 C ATOM 262 NZ LYS A 17 -12.168 -1.975 -7.629 1.00 0.00 N1+ ATOM 0 H LYS A 17 -12.770 0.612 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.022 0.799 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.391 1.074 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.740 0.773 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.703 -1.365 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.267 -1.048 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.403 -2.607 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.375 -1.166 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.657 -0.161 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.559 -1.488 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.629 -1.738 -8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.101 -2.997 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.165 -1.712 -7.764 1.00 0.00 H new ATOM 276 N ASN A 18 -11.635 3.582 -3.211 1.00 0.00 N ATOM 277 CA ASN A 18 -11.465 5.022 -3.380 1.00 0.00 C ATOM 278 C ASN A 18 -10.614 5.607 -2.279 1.00 0.00 C ATOM 279 O ASN A 18 -9.809 6.510 -2.514 1.00 0.00 O ATOM 280 CB ASN A 18 -12.814 5.717 -3.369 1.00 0.00 C ATOM 281 CG ASN A 18 -12.708 7.229 -3.278 1.00 0.00 C ATOM 282 OD1 ASN A 18 -12.727 7.806 -2.189 1.00 0.00 O ATOM 283 ND2 ASN A 18 -12.590 7.882 -4.421 1.00 0.00 N ATOM 0 H ASN A 18 -12.607 3.284 -3.128 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.969 5.180 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.359 5.451 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.398 5.349 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.511 8.899 -4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.578 7.369 -5.303 1.00 0.00 H new ATOM 290 N GLU A 19 -10.790 5.095 -1.076 1.00 0.00 N ATOM 291 CA GLU A 19 -10.100 5.625 0.057 1.00 0.00 C ATOM 292 C GLU A 19 -8.601 5.385 -0.085 1.00 0.00 C ATOM 293 O GLU A 19 -7.782 6.241 0.252 1.00 0.00 O ATOM 294 CB GLU A 19 -10.655 5.003 1.326 1.00 0.00 C ATOM 295 CG GLU A 19 -9.848 5.304 2.565 1.00 0.00 C ATOM 296 CD GLU A 19 -10.451 4.693 3.812 1.00 0.00 C ATOM 297 OE1 GLU A 19 -10.241 3.487 4.055 1.00 0.00 O ATOM 298 OE2 GLU A 19 -11.147 5.416 4.558 1.00 0.00 O1- ATOM 0 H GLU A 19 -11.409 4.311 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.255 6.702 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.675 5.357 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.709 3.922 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.833 4.928 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.774 6.384 2.693 1.00 0.00 H new ATOM 305 N PHE A 20 -8.254 4.224 -0.632 1.00 0.00 N ATOM 306 CA PHE A 20 -6.861 3.894 -0.891 1.00 0.00 C ATOM 307 C PHE A 20 -6.371 4.596 -2.159 1.00 0.00 C ATOM 308 O PHE A 20 -5.178 4.794 -2.337 1.00 0.00 O ATOM 309 CB PHE A 20 -6.664 2.385 -1.038 1.00 0.00 C ATOM 310 CG PHE A 20 -7.211 1.563 0.098 1.00 0.00 C ATOM 311 CD1 PHE A 20 -8.054 0.496 -0.159 1.00 0.00 C ATOM 312 CD2 PHE A 20 -6.874 1.837 1.417 1.00 0.00 C ATOM 313 CE1 PHE A 20 -8.555 -0.275 0.859 1.00 0.00 C ATOM 314 CE2 PHE A 20 -7.377 1.066 2.445 1.00 0.00 C ATOM 315 CZ PHE A 20 -8.220 0.006 2.167 1.00 0.00 C ATOM 0 H PHE A 20 -8.918 3.499 -0.903 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.279 4.239 -0.036 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.138 2.060 -1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.598 2.180 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.322 0.266 -1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.212 2.661 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.212 -1.103 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.112 1.291 3.468 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.614 -0.599 2.970 1.00 0.00 H new ATOM 325 N LYS A 21 -7.301 4.957 -3.042 1.00 0.00 N ATOM 326 CA LYS A 21 -6.978 5.744 -4.236 1.00 0.00 C ATOM 327 C LYS A 21 -6.503 7.101 -3.813 1.00 0.00 C ATOM 328 O LYS A 21 -5.461 7.586 -4.237 1.00 0.00 O ATOM 329 CB LYS A 21 -8.203 5.952 -5.103 1.00 0.00 C ATOM 330 CG LYS A 21 -7.884 6.440 -6.515 1.00 0.00 C ATOM 331 CD LYS A 21 -6.985 5.480 -7.277 1.00 0.00 C ATOM 332 CE LYS A 21 -7.009 5.753 -8.776 1.00 0.00 C ATOM 333 NZ LYS A 21 -6.800 7.189 -9.093 1.00 0.00 N1+ ATOM 0 H LYS A 21 -8.288 4.717 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.216 5.203 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.754 5.014 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.861 6.674 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.814 6.576 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.401 7.416 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.963 5.568 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.305 4.455 -7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.235 5.160 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.965 5.428 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.588 7.294 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.661 7.724 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.004 7.556 -8.533 1.00 0.00 H new ATOM 347 N ALA A 22 -7.330 7.714 -2.996 1.00 0.00 N ATOM 348 CA ALA A 22 -6.996 8.979 -2.358 1.00 0.00 C ATOM 349 C ALA A 22 -5.623 8.895 -1.696 1.00 0.00 C ATOM 350 O ALA A 22 -4.857 9.856 -1.712 1.00 0.00 O ATOM 351 CB ALA A 22 -8.065 9.359 -1.343 1.00 0.00 C ATOM 0 H ALA A 22 -8.253 7.355 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.959 9.756 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.801 10.307 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.026 9.459 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.134 8.584 -0.580 1.00 0.00 H new ATOM 357 N ALA A 23 -5.313 7.733 -1.129 1.00 0.00 N ATOM 358 CA ALA A 23 -4.005 7.491 -0.540 1.00 0.00 C ATOM 359 C ALA A 23 -2.953 7.351 -1.627 1.00 0.00 C ATOM 360 O ALA A 23 -1.885 7.948 -1.536 1.00 0.00 O ATOM 361 CB ALA A 23 -4.032 6.241 0.309 1.00 0.00 C ATOM 0 H ALA A 23 -5.955 6.943 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.751 8.342 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.046 6.074 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.764 6.359 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.306 5.387 -0.310 1.00 0.00 H new ATOM 367 N PHE A 24 -3.281 6.555 -2.648 1.00 0.00 N ATOM 368 CA PHE A 24 -2.438 6.368 -3.832 1.00 0.00 C ATOM 369 C PHE A 24 -1.984 7.724 -4.355 1.00 0.00 C ATOM 370 O PHE A 24 -0.805 7.962 -4.590 1.00 0.00 O ATOM 371 CB PHE A 24 -3.239 5.652 -4.930 1.00 0.00 C ATOM 372 CG PHE A 24 -2.422 5.267 -6.133 1.00 0.00 C ATOM 373 CD1 PHE A 24 -1.211 4.589 -6.012 1.00 0.00 C ATOM 374 CD2 PHE A 24 -2.867 5.606 -7.394 1.00 0.00 C ATOM 375 CE1 PHE A 24 -0.474 4.265 -7.133 1.00 0.00 C ATOM 376 CE2 PHE A 24 -2.135 5.280 -8.514 1.00 0.00 C ATOM 377 CZ PHE A 24 -0.937 4.612 -8.385 1.00 0.00 C ATOM 0 H PHE A 24 -4.147 6.017 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.570 5.768 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.691 4.754 -4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.055 6.299 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.846 4.315 -5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.802 6.134 -7.504 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.464 3.740 -7.030 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.500 5.548 -9.494 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.361 4.360 -9.263 1.00 0.00 H new ATOM 387 N ASP A 25 -2.965 8.598 -4.499 1.00 0.00 N ATOM 388 CA ASP A 25 -2.785 9.975 -4.963 1.00 0.00 C ATOM 389 C ASP A 25 -1.673 10.703 -4.215 1.00 0.00 C ATOM 390 O ASP A 25 -0.777 11.288 -4.821 1.00 0.00 O ATOM 391 CB ASP A 25 -4.087 10.736 -4.744 1.00 0.00 C ATOM 392 CG ASP A 25 -4.147 12.048 -5.494 1.00 0.00 C ATOM 393 OD1 ASP A 25 -4.400 12.028 -6.715 1.00 0.00 O ATOM 394 OD2 ASP A 25 -3.962 13.107 -4.869 1.00 0.00 O1- ATOM 0 H ASP A 25 -3.937 8.370 -4.292 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.510 9.935 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.923 10.109 -5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.212 10.929 -3.678 1.00 0.00 H new ATOM 399 N ILE A 26 -1.762 10.678 -2.897 1.00 0.00 N ATOM 400 CA ILE A 26 -0.817 11.369 -2.030 1.00 0.00 C ATOM 401 C ILE A 26 0.472 10.580 -1.927 1.00 0.00 C ATOM 402 O ILE A 26 1.566 11.144 -1.818 1.00 0.00 O ATOM 403 CB ILE A 26 -1.422 11.526 -0.631 1.00 0.00 C ATOM 404 CG1 ILE A 26 -2.852 12.033 -0.771 1.00 0.00 C ATOM 405 CG2 ILE A 26 -0.580 12.465 0.226 1.00 0.00 C ATOM 406 CD1 ILE A 26 -3.634 12.017 0.518 1.00 0.00 C ATOM 0 H ILE A 26 -2.494 10.177 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.605 12.350 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.432 10.560 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.830 13.052 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.373 11.423 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.031 12.559 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.428 12.062 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.534 13.446 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.641 12.392 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.689 10.997 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.138 12.651 1.253 1.00 0.00 H new ATOM 418 N PHE A 27 0.317 9.266 -1.976 1.00 0.00 N ATOM 419 CA PHE A 27 1.426 8.341 -1.942 1.00 0.00 C ATOM 420 C PHE A 27 2.389 8.668 -3.075 1.00 0.00 C ATOM 421 O PHE A 27 3.602 8.567 -2.930 1.00 0.00 O ATOM 422 CB PHE A 27 0.912 6.923 -2.120 1.00 0.00 C ATOM 423 CG PHE A 27 1.546 5.932 -1.217 1.00 0.00 C ATOM 424 CD1 PHE A 27 0.958 5.639 -0.009 1.00 0.00 C ATOM 425 CD2 PHE A 27 2.698 5.274 -1.577 1.00 0.00 C ATOM 426 CE1 PHE A 27 1.512 4.705 0.834 1.00 0.00 C ATOM 427 CE2 PHE A 27 3.260 4.336 -0.742 1.00 0.00 C ATOM 428 CZ PHE A 27 2.665 4.043 0.462 1.00 0.00 C ATOM 0 H PHE A 27 -0.594 8.813 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 27 1.939 8.426 -0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.165 6.915 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.076 6.615 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.051 6.148 0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.166 5.496 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.047 4.490 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.169 3.830 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.097 3.298 1.114 1.00 0.00 H new ATOM 438 N VAL A 28 1.811 9.071 -4.208 1.00 0.00 N ATOM 439 CA VAL A 28 2.573 9.392 -5.404 1.00 0.00 C ATOM 440 C VAL A 28 2.459 10.872 -5.764 1.00 0.00 C ATOM 441 O VAL A 28 2.619 11.253 -6.923 1.00 0.00 O ATOM 442 CB VAL A 28 2.095 8.546 -6.601 1.00 0.00 C ATOM 443 CG1 VAL A 28 2.247 7.074 -6.279 1.00 0.00 C ATOM 444 CG2 VAL A 28 0.647 8.871 -6.946 1.00 0.00 C ATOM 0 H VAL A 28 0.803 9.182 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 28 3.616 9.163 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 28 2.710 8.785 -7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.908 6.479 -7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.295 6.852 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.648 6.830 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.330 8.263 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.011 8.656 -6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.563 9.926 -7.205 1.00 0.00 H new ATOM 454 N LEU A 29 2.153 11.709 -4.786 1.00 0.00 N ATOM 455 CA LEU A 29 2.153 13.148 -5.015 1.00 0.00 C ATOM 456 C LEU A 29 3.565 13.601 -5.349 1.00 0.00 C ATOM 457 O LEU A 29 4.474 13.456 -4.534 1.00 0.00 O ATOM 458 CB LEU A 29 1.636 13.898 -3.784 1.00 0.00 C ATOM 459 CG LEU A 29 0.215 14.461 -3.890 1.00 0.00 C ATOM 460 CD1 LEU A 29 -0.171 15.162 -2.596 1.00 0.00 C ATOM 461 CD2 LEU A 29 0.098 15.422 -5.060 1.00 0.00 C ATOM 0 H LEU A 29 1.905 11.425 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 29 1.488 13.373 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.676 13.224 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.317 14.722 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.468 13.629 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.183 15.558 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.130 14.451 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.523 15.980 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.920 15.808 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.793 16.250 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.337 14.899 -5.986 1.00 0.00 H new ATOM 473 N GLY A 30 3.746 14.142 -6.541 1.00 0.00 N ATOM 474 CA GLY A 30 5.073 14.508 -6.986 1.00 0.00 C ATOM 475 C GLY A 30 5.783 13.355 -7.647 1.00 0.00 C ATOM 476 O GLY A 30 6.994 13.407 -7.869 1.00 0.00 O ATOM 0 H GLY A 30 2.999 14.335 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.004 15.341 -7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.659 14.855 -6.134 1.00 0.00 H new ATOM 480 N ALA A 31 5.039 12.304 -7.959 1.00 0.00 N ATOM 481 CA ALA A 31 5.626 11.141 -8.592 1.00 0.00 C ATOM 482 C ALA A 31 5.706 11.322 -10.091 1.00 0.00 C ATOM 483 O ALA A 31 4.820 11.899 -10.718 1.00 0.00 O ATOM 484 CB ALA A 31 4.855 9.874 -8.264 1.00 0.00 C ATOM 0 H ALA A 31 4.036 12.236 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 31 6.636 11.037 -8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.326 9.024 -8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.858 9.715 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.827 9.973 -8.614 1.00 0.00 H new ATOM 490 N GLU A 32 6.780 10.807 -10.646 1.00 0.00 N ATOM 491 CA GLU A 32 7.051 10.909 -12.062 1.00 0.00 C ATOM 492 C GLU A 32 6.225 9.890 -12.827 1.00 0.00 C ATOM 493 O GLU A 32 5.614 10.202 -13.847 1.00 0.00 O ATOM 494 CB GLU A 32 8.533 10.646 -12.301 1.00 0.00 C ATOM 495 CG GLU A 32 9.449 11.512 -11.452 1.00 0.00 C ATOM 496 CD GLU A 32 10.910 11.178 -11.652 1.00 0.00 C ATOM 497 OE1 GLU A 32 11.376 10.175 -11.072 1.00 0.00 O ATOM 498 OE2 GLU A 32 11.603 11.919 -12.382 1.00 0.00 O1- ATOM 0 H GLU A 32 7.495 10.302 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 32 6.788 11.908 -12.411 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.745 9.597 -12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.759 10.816 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.282 12.561 -11.697 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.191 11.386 -10.400 1.00 0.00 H new ATOM 505 N ASP A 33 6.213 8.669 -12.312 1.00 0.00 N ATOM 506 CA ASP A 33 5.521 7.560 -12.949 1.00 0.00 C ATOM 507 C ASP A 33 4.067 7.496 -12.519 1.00 0.00 C ATOM 508 O ASP A 33 3.247 6.837 -13.154 1.00 0.00 O ATOM 509 CB ASP A 33 6.203 6.254 -12.579 1.00 0.00 C ATOM 510 CG ASP A 33 7.642 6.197 -13.043 1.00 0.00 C ATOM 511 OD1 ASP A 33 8.507 6.812 -12.385 1.00 0.00 O ATOM 512 OD2 ASP A 33 7.917 5.526 -14.059 1.00 0.00 O1- ATOM 0 H ASP A 33 6.683 8.420 -11.441 1.00 0.00 H new ATOM 0 HA ASP A 33 5.558 7.716 -14.027 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.169 6.124 -11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.651 5.423 -13.018 1.00 0.00 H new ATOM 517 N GLY A 34 3.762 8.176 -11.424 1.00 0.00 N ATOM 518 CA GLY A 34 2.414 8.168 -10.891 1.00 0.00 C ATOM 519 C GLY A 34 2.085 6.889 -10.147 1.00 0.00 C ATOM 520 O GLY A 34 0.966 6.713 -9.669 1.00 0.00 O ATOM 0 H GLY A 34 4.428 8.736 -10.892 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.289 9.017 -10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.704 8.301 -11.708 1.00 0.00 H new ATOM 524 N SER A 35 3.055 5.995 -10.052 1.00 0.00 N ATOM 525 CA SER A 35 2.905 4.800 -9.239 1.00 0.00 C ATOM 526 C SER A 35 3.977 4.806 -8.170 1.00 0.00 C ATOM 527 O SER A 35 5.027 5.430 -8.332 1.00 0.00 O ATOM 528 CB SER A 35 2.991 3.516 -10.068 1.00 0.00 C ATOM 529 OG SER A 35 2.293 3.649 -11.295 1.00 0.00 O ATOM 0 H SER A 35 3.954 6.074 -10.527 1.00 0.00 H new ATOM 0 HA SER A 35 1.913 4.814 -8.787 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.036 3.277 -10.265 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.576 2.684 -9.499 1.00 0.00 H new ATOM 0 HG SER A 35 1.349 3.420 -11.161 1.00 0.00 H new ATOM 535 N ILE A 36 3.696 4.120 -7.084 1.00 0.00 N ATOM 536 CA ILE A 36 4.521 4.171 -5.899 1.00 0.00 C ATOM 537 C ILE A 36 5.898 3.611 -6.144 1.00 0.00 C ATOM 538 O ILE A 36 6.073 2.406 -6.261 1.00 0.00 O ATOM 539 CB ILE A 36 3.871 3.368 -4.768 1.00 0.00 C ATOM 540 CG1 ILE A 36 2.455 3.895 -4.516 1.00 0.00 C ATOM 541 CG2 ILE A 36 4.719 3.423 -3.506 1.00 0.00 C ATOM 542 CD1 ILE A 36 1.637 3.066 -3.545 1.00 0.00 C ATOM 0 H ILE A 36 2.884 3.508 -6.999 1.00 0.00 H new ATOM 0 HA ILE A 36 4.613 5.222 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 36 3.805 2.321 -5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.523 4.914 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.925 3.944 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.236 2.845 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.704 3.004 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.825 4.459 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.650 3.513 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.533 2.052 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.140 3.037 -2.578 1.00 0.00 H new ATOM 554 N SER A 37 6.873 4.485 -6.190 1.00 0.00 N ATOM 555 CA SER A 37 8.244 4.058 -6.194 1.00 0.00 C ATOM 556 C SER A 37 8.649 3.799 -4.753 1.00 0.00 C ATOM 557 O SER A 37 7.854 4.029 -3.845 1.00 0.00 O ATOM 558 CB SER A 37 9.131 5.119 -6.845 1.00 0.00 C ATOM 559 OG SER A 37 9.210 6.291 -6.043 1.00 0.00 O ATOM 0 H SER A 37 6.739 5.496 -6.225 1.00 0.00 H new ATOM 0 HA SER A 37 8.364 3.146 -6.778 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.131 4.714 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.734 5.374 -7.828 1.00 0.00 H new ATOM 0 HG SER A 37 8.653 6.995 -6.436 1.00 0.00 H new ATOM 565 N THR A 38 9.843 3.319 -4.513 1.00 0.00 N ATOM 566 CA THR A 38 10.238 3.043 -3.151 1.00 0.00 C ATOM 567 C THR A 38 10.419 4.341 -2.381 1.00 0.00 C ATOM 568 O THR A 38 9.922 4.479 -1.270 1.00 0.00 O ATOM 569 CB THR A 38 11.503 2.199 -3.109 1.00 0.00 C ATOM 570 OG1 THR A 38 12.471 2.716 -4.031 1.00 0.00 O ATOM 571 CG2 THR A 38 11.146 0.775 -3.469 1.00 0.00 C ATOM 0 H THR A 38 10.546 3.114 -5.223 1.00 0.00 H new ATOM 0 HA THR A 38 9.445 2.469 -2.672 1.00 0.00 H new ATOM 0 HB THR A 38 11.935 2.228 -2.109 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.282 2.167 -3.996 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.044 0.157 -3.443 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.420 0.390 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.717 0.750 -4.471 1.00 0.00 H new ATOM 579 N LYS A 39 11.095 5.305 -3.004 1.00 0.00 N ATOM 580 CA LYS A 39 11.190 6.658 -2.462 1.00 0.00 C ATOM 581 C LYS A 39 9.797 7.183 -2.137 1.00 0.00 C ATOM 582 O LYS A 39 9.577 7.824 -1.113 1.00 0.00 O ATOM 583 CB LYS A 39 11.853 7.578 -3.474 1.00 0.00 C ATOM 584 CG LYS A 39 12.020 9.011 -3.000 1.00 0.00 C ATOM 585 CD LYS A 39 12.462 9.928 -4.132 1.00 0.00 C ATOM 586 CE LYS A 39 11.277 10.545 -4.872 1.00 0.00 C ATOM 587 NZ LYS A 39 10.497 9.551 -5.662 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.586 5.172 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 39 11.790 6.632 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.834 7.175 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.262 7.577 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.077 9.370 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.754 9.045 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.090 10.723 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.074 9.364 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.616 11.025 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.641 11.326 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.902 10.048 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.151 8.914 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.894 8.996 -5.022 1.00 0.00 H new ATOM 601 N GLU A 40 8.867 6.890 -3.035 1.00 0.00 N ATOM 602 CA GLU A 40 7.469 7.250 -2.867 1.00 0.00 C ATOM 603 C GLU A 40 6.828 6.521 -1.684 1.00 0.00 C ATOM 604 O GLU A 40 6.084 7.117 -0.915 1.00 0.00 O ATOM 605 CB GLU A 40 6.711 6.940 -4.146 1.00 0.00 C ATOM 606 CG GLU A 40 6.203 8.180 -4.846 1.00 0.00 C ATOM 607 CD GLU A 40 7.306 8.995 -5.502 1.00 0.00 C ATOM 608 OE1 GLU A 40 7.870 8.532 -6.519 1.00 0.00 O ATOM 609 OE2 GLU A 40 7.616 10.099 -5.008 1.00 0.00 O1- ATOM 0 H GLU A 40 9.063 6.394 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 40 7.418 8.318 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.363 6.388 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.868 6.289 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.476 7.889 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.678 8.806 -4.125 1.00 0.00 H new ATOM 616 N LEU A 41 7.121 5.233 -1.534 1.00 0.00 N ATOM 617 CA LEU A 41 6.543 4.449 -0.447 1.00 0.00 C ATOM 618 C LEU A 41 7.153 4.879 0.875 1.00 0.00 C ATOM 619 O LEU A 41 6.485 4.945 1.909 1.00 0.00 O ATOM 620 CB LEU A 41 6.779 2.961 -0.664 1.00 0.00 C ATOM 621 CG LEU A 41 5.790 2.072 0.057 1.00 0.00 C ATOM 622 CD1 LEU A 41 5.228 1.090 -0.898 1.00 0.00 C ATOM 623 CD2 LEU A 41 6.410 1.327 1.191 1.00 0.00 C ATOM 0 H LEU A 41 7.750 4.713 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 41 5.468 4.626 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.733 2.748 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.787 2.711 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 41 5.013 2.719 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.515 0.448 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.722 1.617 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.033 0.481 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.656 0.705 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.215 0.696 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.813 2.035 1.915 1.00 0.00 H new ATOM 635 N GLY A 42 8.430 5.200 0.814 1.00 0.00 N ATOM 636 CA GLY A 42 9.146 5.657 1.986 1.00 0.00 C ATOM 637 C GLY A 42 8.693 7.026 2.427 1.00 0.00 C ATOM 638 O GLY A 42 8.878 7.392 3.588 1.00 0.00 O ATOM 0 H GLY A 42 8.993 5.152 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.999 4.947 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.214 5.680 1.772 1.00 0.00 H new ATOM 642 N LYS A 43 8.092 7.777 1.508 1.00 0.00 N ATOM 643 CA LYS A 43 7.613 9.114 1.820 1.00 0.00 C ATOM 644 C LYS A 43 6.660 9.063 3.018 1.00 0.00 C ATOM 645 O LYS A 43 6.846 9.777 3.997 1.00 0.00 O ATOM 646 CB LYS A 43 6.927 9.758 0.591 1.00 0.00 C ATOM 647 CG LYS A 43 5.410 9.653 0.618 1.00 0.00 C ATOM 648 CD LYS A 43 4.732 10.272 -0.589 1.00 0.00 C ATOM 649 CE LYS A 43 4.953 11.776 -0.657 1.00 0.00 C ATOM 650 NZ LYS A 43 4.255 12.385 -1.816 1.00 0.00 N1+ ATOM 0 H LYS A 43 7.927 7.481 0.546 1.00 0.00 H new ATOM 0 HA LYS A 43 8.468 9.737 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.209 10.809 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.300 9.281 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.129 8.602 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.038 10.138 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.115 9.808 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.663 10.064 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.598 12.237 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.021 11.983 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.152 13.408 -1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.809 12.220 -2.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.314 11.955 -1.920 1.00 0.00 H new ATOM 664 N VAL A 44 5.676 8.172 2.963 1.00 0.00 N ATOM 665 CA VAL A 44 4.654 8.111 3.967 1.00 0.00 C ATOM 666 C VAL A 44 5.163 7.418 5.218 1.00 0.00 C ATOM 667 O VAL A 44 4.711 7.716 6.310 1.00 0.00 O ATOM 668 CB VAL A 44 3.413 7.403 3.405 1.00 0.00 C ATOM 669 CG1 VAL A 44 3.606 5.915 3.314 1.00 0.00 C ATOM 670 CG2 VAL A 44 2.211 7.725 4.228 1.00 0.00 C ATOM 0 H VAL A 44 5.576 7.481 2.220 1.00 0.00 H new ATOM 0 HA VAL A 44 4.376 9.127 4.248 1.00 0.00 H new ATOM 0 HB VAL A 44 3.258 7.773 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.704 5.455 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.448 5.697 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.806 5.513 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.340 7.215 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.373 7.394 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.040 8.801 4.217 1.00 0.00 H new ATOM 680 N MET A 45 6.125 6.518 5.058 1.00 0.00 N ATOM 681 CA MET A 45 6.760 5.878 6.203 1.00 0.00 C ATOM 682 C MET A 45 7.500 6.930 7.023 1.00 0.00 C ATOM 683 O MET A 45 7.467 6.924 8.251 1.00 0.00 O ATOM 684 CB MET A 45 7.749 4.831 5.740 1.00 0.00 C ATOM 685 CG MET A 45 7.163 3.711 4.899 1.00 0.00 C ATOM 686 SD MET A 45 6.680 2.256 5.854 1.00 0.00 S ATOM 687 CE MET A 45 4.957 2.605 6.189 1.00 0.00 C ATOM 0 H MET A 45 6.481 6.216 4.151 1.00 0.00 H new ATOM 0 HA MET A 45 5.991 5.400 6.809 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.532 5.324 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.226 4.393 6.617 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.291 4.089 4.365 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.894 3.414 4.147 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.453 1.689 6.496 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.884 3.344 6.987 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.483 2.995 5.288 1.00 0.00 H new ATOM 697 N ARG A 46 8.177 7.833 6.317 1.00 0.00 N ATOM 698 CA ARG A 46 8.809 8.983 6.936 1.00 0.00 C ATOM 699 C ARG A 46 7.763 9.829 7.653 1.00 0.00 C ATOM 700 O ARG A 46 7.960 10.249 8.792 1.00 0.00 O ATOM 701 CB ARG A 46 9.519 9.805 5.871 1.00 0.00 C ATOM 702 CG ARG A 46 10.906 9.294 5.532 1.00 0.00 C ATOM 703 CD ARG A 46 11.448 9.963 4.299 1.00 0.00 C ATOM 704 NE ARG A 46 12.849 9.620 4.050 1.00 0.00 N ATOM 705 CZ ARG A 46 13.527 10.001 2.969 1.00 0.00 C ATOM 706 NH1 ARG A 46 12.944 10.765 2.056 1.00 0.00 N1+ ATOM 707 NH2 ARG A 46 14.787 9.616 2.802 1.00 0.00 N ATOM 0 H ARG A 46 8.299 7.784 5.306 1.00 0.00 H new ATOM 0 HA ARG A 46 9.541 8.645 7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.912 9.812 4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.595 10.838 6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.578 9.474 6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.871 8.216 5.378 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.847 9.673 3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.354 11.044 4.404 1.00 0.00 H new ATOM 0 HE ARG A 46 13.335 9.055 4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.976 11.061 2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.463 11.057 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.237 9.027 3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.304 9.909 1.973 1.00 0.00 H new ATOM 721 N MET A 47 6.634 10.033 6.981 1.00 0.00 N ATOM 722 CA MET A 47 5.491 10.720 7.536 1.00 0.00 C ATOM 723 C MET A 47 4.869 9.934 8.685 1.00 0.00 C ATOM 724 O MET A 47 3.993 10.426 9.395 1.00 0.00 O ATOM 725 CB MET A 47 4.471 10.911 6.429 1.00 0.00 C ATOM 726 CG MET A 47 4.994 11.728 5.270 1.00 0.00 C ATOM 727 SD MET A 47 3.712 12.622 4.365 1.00 0.00 S ATOM 728 CE MET A 47 2.721 11.286 3.711 1.00 0.00 C ATOM 0 H MET A 47 6.494 9.718 6.021 1.00 0.00 H new ATOM 0 HA MET A 47 5.812 11.682 7.936 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.155 9.934 6.063 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.587 11.399 6.839 1.00 0.00 H new ATOM 0 HG2 MET A 47 5.726 12.443 5.644 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.518 11.067 4.580 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.865 11.696 3.176 1.00 0.00 H new ATOM 0 HE2 MET A 47 3.323 10.687 3.027 1.00 0.00 H new ATOM 0 HE3 MET A 47 2.370 10.658 4.530 1.00 0.00 H new ATOM 738 N LEU A 48 5.326 8.708 8.839 1.00 0.00 N ATOM 739 CA LEU A 48 4.777 7.770 9.779 1.00 0.00 C ATOM 740 C LEU A 48 5.717 7.527 10.956 1.00 0.00 C ATOM 741 O LEU A 48 5.445 6.693 11.822 1.00 0.00 O ATOM 742 CB LEU A 48 4.528 6.499 9.012 1.00 0.00 C ATOM 743 CG LEU A 48 3.129 6.361 8.430 1.00 0.00 C ATOM 744 CD1 LEU A 48 3.079 5.223 7.432 1.00 0.00 C ATOM 745 CD2 LEU A 48 2.106 6.130 9.520 1.00 0.00 C ATOM 0 H LEU A 48 6.107 8.334 8.299 1.00 0.00 H new ATOM 0 HA LEU A 48 3.856 8.158 10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.251 6.436 8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.716 5.652 9.672 1.00 0.00 H new ATOM 0 HG LEU A 48 2.888 7.294 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.071 5.139 7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.781 5.419 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.349 4.291 7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.115 6.035 9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.350 5.215 10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.114 6.973 10.211 1.00 0.00 H new ATOM 757 N GLY A 49 6.832 8.242 10.971 1.00 0.00 N ATOM 758 CA GLY A 49 7.788 8.109 12.049 1.00 0.00 C ATOM 759 C GLY A 49 8.914 7.137 11.729 1.00 0.00 C ATOM 760 O GLY A 49 9.814 6.936 12.543 1.00 0.00 O ATOM 0 H GLY A 49 7.092 8.916 10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.213 9.087 12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.270 7.773 12.947 1.00 0.00 H new ATOM 764 N GLN A 50 8.864 6.527 10.551 1.00 0.00 N ATOM 765 CA GLN A 50 9.891 5.595 10.126 1.00 0.00 C ATOM 766 C GLN A 50 10.973 6.297 9.316 1.00 0.00 C ATOM 767 O GLN A 50 10.885 7.496 9.046 1.00 0.00 O ATOM 768 CB GLN A 50 9.275 4.514 9.253 1.00 0.00 C ATOM 769 CG GLN A 50 8.163 3.744 9.937 1.00 0.00 C ATOM 770 CD GLN A 50 8.685 2.608 10.797 1.00 0.00 C ATOM 771 OE1 GLN A 50 8.880 1.489 10.317 1.00 0.00 O ATOM 772 NE2 GLN A 50 8.915 2.880 12.070 1.00 0.00 N ATOM 0 H GLN A 50 8.116 6.665 9.872 1.00 0.00 H new ATOM 0 HA GLN A 50 10.335 5.163 11.023 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.884 4.971 8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.055 3.816 8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.581 4.426 10.557 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.486 3.343 9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.741 3.818 12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.266 2.152 12.692 1.00 0.00 H new ATOM 781 N ASN A 51 11.987 5.533 8.932 1.00 0.00 N ATOM 782 CA ASN A 51 12.933 5.963 7.909 1.00 0.00 C ATOM 783 C ASN A 51 13.399 4.766 7.087 1.00 0.00 C ATOM 784 O ASN A 51 14.567 4.381 7.101 1.00 0.00 O ATOM 785 CB ASN A 51 14.130 6.708 8.481 1.00 0.00 C ATOM 786 CG ASN A 51 14.815 6.005 9.647 1.00 0.00 C ATOM 787 OD1 ASN A 51 15.712 5.183 9.457 1.00 0.00 O ATOM 788 ND2 ASN A 51 14.410 6.338 10.863 1.00 0.00 N ATOM 0 H ASN A 51 12.177 4.607 9.316 1.00 0.00 H new ATOM 0 HA ASN A 51 12.404 6.667 7.267 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.860 6.861 7.686 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.804 7.695 8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.844 5.909 11.680 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.664 7.023 10.982 1.00 0.00 H new ATOM 795 N PRO A 52 12.472 4.178 6.341 1.00 0.00 N ATOM 796 CA PRO A 52 12.708 2.941 5.585 1.00 0.00 C ATOM 797 C PRO A 52 13.702 3.106 4.437 1.00 0.00 C ATOM 798 O PRO A 52 13.740 4.141 3.765 1.00 0.00 O ATOM 799 CB PRO A 52 11.320 2.611 5.038 1.00 0.00 C ATOM 800 CG PRO A 52 10.651 3.930 4.952 1.00 0.00 C ATOM 801 CD PRO A 52 11.100 4.670 6.166 1.00 0.00 C ATOM 0 HA PRO A 52 13.149 2.167 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.379 2.128 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.781 1.931 5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.934 4.457 4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.566 3.822 4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.071 5.750 6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.475 4.449 7.031 1.00 0.00 H new ATOM 809 N THR A 53 14.499 2.072 4.217 1.00 0.00 N ATOM 810 CA THR A 53 15.406 2.038 3.086 1.00 0.00 C ATOM 811 C THR A 53 14.649 1.584 1.856 1.00 0.00 C ATOM 812 O THR A 53 13.742 0.755 1.949 1.00 0.00 O ATOM 813 CB THR A 53 16.592 1.086 3.346 1.00 0.00 C ATOM 814 OG1 THR A 53 16.121 -0.180 3.823 1.00 0.00 O ATOM 815 CG2 THR A 53 17.545 1.701 4.356 1.00 0.00 C ATOM 0 H THR A 53 14.534 1.243 4.811 1.00 0.00 H new ATOM 0 HA THR A 53 15.806 3.040 2.933 1.00 0.00 H new ATOM 0 HB THR A 53 17.124 0.930 2.407 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.884 -0.774 3.982 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.378 1.020 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.925 2.647 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.017 1.878 5.293 1.00 0.00 H new ATOM 823 N PRO A 54 14.992 2.143 0.687 1.00 0.00 N ATOM 824 CA PRO A 54 14.352 1.786 -0.576 1.00 0.00 C ATOM 825 C PRO A 54 14.495 0.303 -0.877 1.00 0.00 C ATOM 826 O PRO A 54 13.749 -0.251 -1.672 1.00 0.00 O ATOM 827 CB PRO A 54 15.081 2.631 -1.622 1.00 0.00 C ATOM 828 CG PRO A 54 16.328 3.105 -0.955 1.00 0.00 C ATOM 829 CD PRO A 54 16.020 3.179 0.509 1.00 0.00 C ATOM 0 HA PRO A 54 13.279 1.976 -0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.311 2.043 -2.510 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.466 3.471 -1.946 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.155 2.420 -1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.628 4.080 -1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.902 2.980 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.652 4.165 0.794 1.00 0.00 H new ATOM 837 N GLU A 55 15.457 -0.331 -0.216 1.00 0.00 N ATOM 838 CA GLU A 55 15.633 -1.771 -0.301 1.00 0.00 C ATOM 839 C GLU A 55 14.490 -2.479 0.424 1.00 0.00 C ATOM 840 O GLU A 55 13.855 -3.381 -0.130 1.00 0.00 O ATOM 841 CB GLU A 55 16.959 -2.173 0.325 1.00 0.00 C ATOM 842 CG GLU A 55 17.414 -3.544 -0.063 1.00 0.00 C ATOM 843 CD GLU A 55 18.538 -4.063 0.805 1.00 0.00 C ATOM 844 OE1 GLU A 55 18.252 -4.707 1.837 1.00 0.00 O ATOM 845 OE2 GLU A 55 19.711 -3.840 0.460 1.00 0.00 O1- ATOM 0 H GLU A 55 16.131 0.137 0.389 1.00 0.00 H new ATOM 0 HA GLU A 55 15.630 -2.063 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.722 -1.451 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.869 -2.123 1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.570 -4.231 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.742 -3.531 -1.102 1.00 0.00 H new ATOM 852 N GLU A 56 14.221 -2.039 1.660 1.00 0.00 N ATOM 853 CA GLU A 56 13.139 -2.562 2.457 1.00 0.00 C ATOM 854 C GLU A 56 11.806 -2.264 1.779 1.00 0.00 C ATOM 855 O GLU A 56 10.900 -3.096 1.737 1.00 0.00 O ATOM 856 CB GLU A 56 13.187 -1.911 3.809 1.00 0.00 C ATOM 857 CG GLU A 56 13.060 -2.878 4.944 1.00 0.00 C ATOM 858 CD GLU A 56 14.382 -3.478 5.355 1.00 0.00 C ATOM 859 OE1 GLU A 56 14.994 -2.954 6.307 1.00 0.00 O ATOM 860 OE2 GLU A 56 14.822 -4.458 4.730 1.00 0.00 O1- ATOM 0 H GLU A 56 14.759 -1.307 2.124 1.00 0.00 H new ATOM 0 HA GLU A 56 13.239 -3.642 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.127 -1.368 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.385 -1.176 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.616 -2.370 5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.377 -3.678 4.658 1.00 0.00 H new ATOM 867 N LEU A 57 11.721 -1.062 1.230 1.00 0.00 N ATOM 868 CA LEU A 57 10.554 -0.599 0.517 1.00 0.00 C ATOM 869 C LEU A 57 10.344 -1.375 -0.774 1.00 0.00 C ATOM 870 O LEU A 57 9.215 -1.653 -1.150 1.00 0.00 O ATOM 871 CB LEU A 57 10.744 0.878 0.211 1.00 0.00 C ATOM 872 CG LEU A 57 10.724 1.792 1.431 1.00 0.00 C ATOM 873 CD1 LEU A 57 11.318 3.141 1.101 1.00 0.00 C ATOM 874 CD2 LEU A 57 9.307 1.965 1.940 1.00 0.00 C ATOM 0 H LEU A 57 12.474 -0.376 1.271 1.00 0.00 H new ATOM 0 HA LEU A 57 9.670 -0.755 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.694 1.008 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.960 1.196 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 57 11.327 1.327 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.293 3.776 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.350 3.014 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.740 3.608 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.311 2.620 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.690 2.406 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.899 0.993 2.219 1.00 0.00 H new ATOM 886 N GLN A 58 11.435 -1.741 -1.440 1.00 0.00 N ATOM 887 CA GLN A 58 11.344 -2.378 -2.749 1.00 0.00 C ATOM 888 C GLN A 58 10.650 -3.723 -2.649 1.00 0.00 C ATOM 889 O GLN A 58 9.805 -4.049 -3.475 1.00 0.00 O ATOM 890 CB GLN A 58 12.716 -2.557 -3.382 1.00 0.00 C ATOM 891 CG GLN A 58 12.646 -2.762 -4.883 1.00 0.00 C ATOM 892 CD GLN A 58 13.987 -3.122 -5.483 1.00 0.00 C ATOM 893 OE1 GLN A 58 14.341 -4.296 -5.584 1.00 0.00 O ATOM 894 NE2 GLN A 58 14.735 -2.114 -5.896 1.00 0.00 N ATOM 0 H GLN A 58 12.387 -1.608 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 58 10.755 -1.718 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.328 -1.681 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.213 -3.413 -2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.929 -3.552 -5.105 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.274 -1.852 -5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.402 -1.156 -5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.646 -2.294 -6.318 1.00 0.00 H new ATOM 903 N GLU A 59 11.016 -4.510 -1.647 1.00 0.00 N ATOM 904 CA GLU A 59 10.347 -5.773 -1.395 1.00 0.00 C ATOM 905 C GLU A 59 8.875 -5.546 -1.066 1.00 0.00 C ATOM 906 O GLU A 59 8.012 -6.262 -1.578 1.00 0.00 O ATOM 907 CB GLU A 59 11.038 -6.493 -0.268 1.00 0.00 C ATOM 908 CG GLU A 59 12.537 -6.564 -0.444 1.00 0.00 C ATOM 909 CD GLU A 59 12.951 -7.408 -1.632 1.00 0.00 C ATOM 910 OE1 GLU A 59 13.269 -6.827 -2.688 1.00 0.00 O ATOM 911 OE2 GLU A 59 12.957 -8.651 -1.514 1.00 0.00 O1- ATOM 0 H GLU A 59 11.772 -4.294 -0.997 1.00 0.00 H new ATOM 0 HA GLU A 59 10.398 -6.388 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.811 -5.988 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.638 -7.504 -0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.932 -5.555 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.985 -6.974 0.461 1.00 0.00 H new ATOM 918 N MET A 60 8.590 -4.544 -0.216 1.00 0.00 N ATOM 919 CA MET A 60 7.204 -4.154 0.073 1.00 0.00 C ATOM 920 C MET A 60 6.475 -3.881 -1.231 1.00 0.00 C ATOM 921 O MET A 60 5.373 -4.377 -1.460 1.00 0.00 O ATOM 922 CB MET A 60 7.107 -2.879 0.922 1.00 0.00 C ATOM 923 CG MET A 60 5.891 -2.879 1.829 1.00 0.00 C ATOM 924 SD MET A 60 5.563 -1.299 2.601 1.00 0.00 S ATOM 925 CE MET A 60 6.915 -1.260 3.750 1.00 0.00 C ATOM 0 H MET A 60 9.295 -3.996 0.277 1.00 0.00 H new ATOM 0 HA MET A 60 6.760 -4.979 0.630 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.008 -2.779 1.527 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.067 -2.010 0.265 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.017 -3.177 1.249 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.030 -3.630 2.606 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.530 -1.126 4.761 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.468 -2.198 3.693 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.579 -0.432 3.502 1.00 0.00 H new ATOM 935 N ILE A 61 7.111 -3.079 -2.077 1.00 0.00 N ATOM 936 CA ILE A 61 6.578 -2.761 -3.392 1.00 0.00 C ATOM 937 C ILE A 61 6.296 -4.053 -4.166 1.00 0.00 C ATOM 938 O ILE A 61 5.174 -4.308 -4.586 1.00 0.00 O ATOM 939 CB ILE A 61 7.573 -1.925 -4.232 1.00 0.00 C ATOM 940 CG1 ILE A 61 7.923 -0.582 -3.574 1.00 0.00 C ATOM 941 CG2 ILE A 61 7.028 -1.718 -5.627 1.00 0.00 C ATOM 942 CD1 ILE A 61 7.946 0.597 -4.524 1.00 0.00 C ATOM 0 H ILE A 61 8.005 -2.634 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 61 5.666 -2.185 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 61 8.503 -2.490 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.201 -0.381 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.900 -0.669 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.735 -1.129 -6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.879 -2.685 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.076 -1.191 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.202 1.503 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.689 0.423 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.963 0.715 -4.981 1.00 0.00 H new ATOM 954 N ASP A 62 7.350 -4.860 -4.310 1.00 0.00 N ATOM 955 CA ASP A 62 7.338 -6.118 -5.068 1.00 0.00 C ATOM 956 C ASP A 62 6.183 -7.006 -4.678 1.00 0.00 C ATOM 957 O ASP A 62 5.555 -7.660 -5.514 1.00 0.00 O ATOM 958 CB ASP A 62 8.612 -6.872 -4.773 1.00 0.00 C ATOM 959 CG ASP A 62 8.748 -8.129 -5.598 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.563 -9.233 -5.039 1.00 0.00 O ATOM 961 OD2 ASP A 62 9.022 -8.022 -6.808 1.00 0.00 O1- ATOM 0 H ASP A 62 8.258 -4.654 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 62 7.244 -5.866 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.466 -6.223 -4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.639 -7.132 -3.715 1.00 0.00 H new ATOM 966 N GLU A 63 5.945 -7.027 -3.386 1.00 0.00 N ATOM 967 CA GLU A 63 4.890 -7.804 -2.783 1.00 0.00 C ATOM 968 C GLU A 63 3.576 -7.647 -3.526 1.00 0.00 C ATOM 969 O GLU A 63 2.850 -8.617 -3.759 1.00 0.00 O ATOM 970 CB GLU A 63 4.714 -7.336 -1.356 1.00 0.00 C ATOM 971 CG GLU A 63 5.748 -7.883 -0.415 1.00 0.00 C ATOM 972 CD GLU A 63 5.478 -7.475 1.009 1.00 0.00 C ATOM 973 OE1 GLU A 63 6.296 -7.795 1.891 1.00 0.00 O ATOM 974 OE2 GLU A 63 4.420 -6.854 1.254 1.00 0.00 O1- ATOM 0 H GLU A 63 6.493 -6.492 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 63 5.168 -8.857 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.752 -6.247 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.724 -7.628 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.764 -8.971 -0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.735 -7.530 -0.714 1.00 0.00 H new ATOM 981 N VAL A 64 3.291 -6.419 -3.904 1.00 0.00 N ATOM 982 CA VAL A 64 2.026 -6.077 -4.504 1.00 0.00 C ATOM 983 C VAL A 64 2.200 -5.583 -5.942 1.00 0.00 C ATOM 984 O VAL A 64 1.236 -5.522 -6.696 1.00 0.00 O ATOM 985 CB VAL A 64 1.299 -5.046 -3.619 1.00 0.00 C ATOM 986 CG1 VAL A 64 0.692 -5.757 -2.429 1.00 0.00 C ATOM 987 CG2 VAL A 64 2.272 -3.989 -3.113 1.00 0.00 C ATOM 0 H VAL A 64 3.932 -5.632 -3.803 1.00 0.00 H new ATOM 0 HA VAL A 64 1.409 -6.973 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 64 0.525 -4.560 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.176 -5.034 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.018 -6.507 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.481 -6.243 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.738 -3.271 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.055 -4.467 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.720 -3.471 -3.961 1.00 0.00 H new ATOM 997 N ASP A 65 3.439 -5.257 -6.307 1.00 0.00 N ATOM 998 CA ASP A 65 3.811 -4.970 -7.699 1.00 0.00 C ATOM 999 C ASP A 65 3.664 -6.242 -8.534 1.00 0.00 C ATOM 1000 O ASP A 65 4.358 -7.232 -8.291 1.00 0.00 O ATOM 1001 CB ASP A 65 5.270 -4.484 -7.770 1.00 0.00 C ATOM 1002 CG ASP A 65 5.697 -3.998 -9.152 1.00 0.00 C ATOM 1003 OD1 ASP A 65 6.530 -3.072 -9.228 1.00 0.00 O ATOM 1004 OD2 ASP A 65 5.233 -4.551 -10.169 1.00 0.00 O1- ATOM 0 H ASP A 65 4.215 -5.183 -5.650 1.00 0.00 H new ATOM 0 HA ASP A 65 3.156 -4.191 -8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.408 -3.674 -7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.928 -5.297 -7.463 1.00 0.00 H new ATOM 1009 N GLU A 66 2.769 -6.220 -9.511 1.00 0.00 N ATOM 1010 CA GLU A 66 2.471 -7.412 -10.296 1.00 0.00 C ATOM 1011 C GLU A 66 3.547 -7.715 -11.334 1.00 0.00 C ATOM 1012 O GLU A 66 3.627 -8.836 -11.839 1.00 0.00 O ATOM 1013 CB GLU A 66 1.125 -7.279 -10.995 1.00 0.00 C ATOM 1014 CG GLU A 66 -0.045 -7.266 -10.040 1.00 0.00 C ATOM 1015 CD GLU A 66 -1.374 -7.210 -10.759 1.00 0.00 C ATOM 1016 OE1 GLU A 66 -1.868 -8.278 -11.177 1.00 0.00 O ATOM 1017 OE2 GLU A 66 -1.926 -6.103 -10.923 1.00 0.00 O1- ATOM 0 H GLU A 66 2.237 -5.392 -9.780 1.00 0.00 H new ATOM 0 HA GLU A 66 2.441 -8.242 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.117 -6.360 -11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.004 -8.105 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.010 -8.158 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.042 -6.407 -9.375 1.00 0.00 H new ATOM 1024 N ASP A 67 4.369 -6.729 -11.659 1.00 0.00 N ATOM 1025 CA ASP A 67 5.345 -6.891 -12.730 1.00 0.00 C ATOM 1026 C ASP A 67 6.768 -6.896 -12.187 1.00 0.00 C ATOM 1027 O ASP A 67 7.720 -7.212 -12.900 1.00 0.00 O ATOM 1028 CB ASP A 67 5.175 -5.760 -13.753 1.00 0.00 C ATOM 1029 CG ASP A 67 6.078 -5.909 -14.960 1.00 0.00 C ATOM 1030 OD1 ASP A 67 5.923 -6.903 -15.697 1.00 0.00 O ATOM 1031 OD2 ASP A 67 6.926 -5.019 -15.190 1.00 0.00 O1- ATOM 0 H ASP A 67 4.382 -5.817 -11.203 1.00 0.00 H new ATOM 0 HA ASP A 67 5.170 -7.852 -13.213 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.137 -5.731 -14.085 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.381 -4.806 -13.268 1.00 0.00 H new ATOM 1036 N GLY A 68 6.904 -6.586 -10.907 1.00 0.00 N ATOM 1037 CA GLY A 68 8.217 -6.519 -10.295 1.00 0.00 C ATOM 1038 C GLY A 68 8.970 -5.279 -10.731 1.00 0.00 C ATOM 1039 O GLY A 68 10.193 -5.210 -10.618 1.00 0.00 O ATOM 0 H GLY A 68 6.128 -6.379 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.114 -6.521 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.790 -7.407 -10.562 1.00 0.00 H new ATOM 1043 N SER A 69 8.231 -4.293 -11.227 1.00 0.00 N ATOM 1044 CA SER A 69 8.807 -3.116 -11.828 1.00 0.00 C ATOM 1045 C SER A 69 9.521 -2.237 -10.810 1.00 0.00 C ATOM 1046 O SER A 69 10.522 -1.587 -11.117 1.00 0.00 O ATOM 1047 CB SER A 69 7.700 -2.341 -12.517 1.00 0.00 C ATOM 1048 OG SER A 69 6.668 -1.973 -11.615 1.00 0.00 O ATOM 0 H SER A 69 7.211 -4.296 -11.219 1.00 0.00 H new ATOM 0 HA SER A 69 9.562 -3.427 -12.550 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.117 -1.445 -12.976 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.280 -2.946 -13.321 1.00 0.00 H new ATOM 0 HG SER A 69 6.822 -2.404 -10.748 1.00 0.00 H new ATOM 1054 N GLY A 70 9.006 -2.238 -9.600 1.00 0.00 N ATOM 1055 CA GLY A 70 9.559 -1.419 -8.549 1.00 0.00 C ATOM 1056 C GLY A 70 8.654 -0.254 -8.223 1.00 0.00 C ATOM 1057 O GLY A 70 9.069 0.703 -7.573 1.00 0.00 O ATOM 0 H GLY A 70 8.202 -2.800 -9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.711 -2.025 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.538 -1.047 -8.852 1.00 0.00 H new ATOM 1061 N THR A 71 7.408 -0.349 -8.669 1.00 0.00 N ATOM 1062 CA THR A 71 6.423 0.695 -8.448 1.00 0.00 C ATOM 1063 C THR A 71 5.038 0.097 -8.253 1.00 0.00 C ATOM 1064 O THR A 71 4.603 -0.759 -9.018 1.00 0.00 O ATOM 1065 CB THR A 71 6.395 1.697 -9.615 1.00 0.00 C ATOM 1066 OG1 THR A 71 6.576 1.001 -10.855 1.00 0.00 O ATOM 1067 CG2 THR A 71 7.470 2.771 -9.452 1.00 0.00 C ATOM 0 H THR A 71 7.055 -1.150 -9.192 1.00 0.00 H new ATOM 0 HA THR A 71 6.713 1.228 -7.542 1.00 0.00 H new ATOM 0 HB THR A 71 5.425 2.194 -9.615 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.182 0.106 -10.788 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.423 3.463 -10.293 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.302 3.316 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.453 2.301 -9.423 1.00 0.00 H new ATOM 1075 N VAL A 72 4.361 0.557 -7.218 1.00 0.00 N ATOM 1076 CA VAL A 72 3.031 0.078 -6.885 1.00 0.00 C ATOM 1077 C VAL A 72 1.959 1.046 -7.374 1.00 0.00 C ATOM 1078 O VAL A 72 1.915 2.209 -6.977 1.00 0.00 O ATOM 1079 CB VAL A 72 2.896 -0.153 -5.364 1.00 0.00 C ATOM 1080 CG1 VAL A 72 1.457 -0.029 -4.901 1.00 0.00 C ATOM 1081 CG2 VAL A 72 3.413 -1.518 -4.998 1.00 0.00 C ATOM 0 H VAL A 72 4.716 1.273 -6.584 1.00 0.00 H new ATOM 0 HA VAL A 72 2.884 -0.875 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 72 3.486 0.617 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.405 -0.198 -3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.086 0.970 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.844 -0.770 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.312 -1.669 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.838 -2.279 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.463 -1.597 -5.279 1.00 0.00 H new ATOM 1091 N ASP A 73 1.108 0.559 -8.252 1.00 0.00 N ATOM 1092 CA ASP A 73 0.009 1.354 -8.782 1.00 0.00 C ATOM 1093 C ASP A 73 -1.279 1.002 -8.022 1.00 0.00 C ATOM 1094 O ASP A 73 -1.220 0.272 -7.039 1.00 0.00 O ATOM 1095 CB ASP A 73 -0.083 1.126 -10.297 1.00 0.00 C ATOM 1096 CG ASP A 73 -1.047 2.052 -11.025 1.00 0.00 C ATOM 1097 OD1 ASP A 73 -0.597 3.101 -11.534 1.00 0.00 O ATOM 1098 OD2 ASP A 73 -2.251 1.721 -11.119 1.00 0.00 O1- ATOM 0 H ASP A 73 1.153 -0.391 -8.619 1.00 0.00 H new ATOM 0 HA ASP A 73 0.175 2.421 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.910 1.246 -10.729 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.386 0.095 -10.477 1.00 0.00 H new ATOM 1103 N PHE A 74 -2.426 1.504 -8.466 1.00 0.00 N ATOM 1104 CA PHE A 74 -3.633 1.540 -7.632 1.00 0.00 C ATOM 1105 C PHE A 74 -4.084 0.168 -7.132 1.00 0.00 C ATOM 1106 O PHE A 74 -4.277 -0.010 -5.942 1.00 0.00 O ATOM 1107 CB PHE A 74 -4.785 2.207 -8.379 1.00 0.00 C ATOM 1108 CG PHE A 74 -6.063 2.266 -7.584 1.00 0.00 C ATOM 1109 CD1 PHE A 74 -6.054 2.558 -6.220 1.00 0.00 C ATOM 1110 CD2 PHE A 74 -7.281 2.034 -8.207 1.00 0.00 C ATOM 1111 CE1 PHE A 74 -7.238 2.607 -5.507 1.00 0.00 C ATOM 1112 CE2 PHE A 74 -8.463 2.086 -7.495 1.00 0.00 C ATOM 1113 CZ PHE A 74 -8.442 2.374 -6.146 1.00 0.00 C ATOM 0 H PHE A 74 -2.551 1.894 -9.400 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.359 2.124 -6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.491 3.220 -8.654 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.968 1.665 -9.307 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.117 2.747 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.305 1.810 -9.263 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.222 2.828 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.403 1.901 -7.994 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.366 2.418 -5.589 1.00 0.00 H new ATOM 1123 N ASP A 75 -4.279 -0.783 -8.027 1.00 0.00 N ATOM 1124 CA ASP A 75 -4.831 -2.085 -7.639 1.00 0.00 C ATOM 1125 C ASP A 75 -3.802 -2.886 -6.854 1.00 0.00 C ATOM 1126 O ASP A 75 -4.143 -3.632 -5.937 1.00 0.00 O ATOM 1127 CB ASP A 75 -5.285 -2.849 -8.876 1.00 0.00 C ATOM 1128 CG ASP A 75 -6.084 -4.099 -8.554 1.00 0.00 C ATOM 1129 OD1 ASP A 75 -7.167 -3.981 -7.941 1.00 0.00 O ATOM 1130 OD2 ASP A 75 -5.656 -5.199 -8.963 1.00 0.00 O1- ATOM 0 H ASP A 75 -4.068 -0.688 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.696 -1.924 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.890 -2.190 -9.499 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.410 -3.127 -9.463 1.00 0.00 H new ATOM 1135 N GLU A 76 -2.540 -2.716 -7.213 1.00 0.00 N ATOM 1136 CA GLU A 76 -1.440 -3.236 -6.419 1.00 0.00 C ATOM 1137 C GLU A 76 -1.481 -2.634 -5.027 1.00 0.00 C ATOM 1138 O GLU A 76 -1.349 -3.337 -4.026 1.00 0.00 O ATOM 1139 CB GLU A 76 -0.136 -2.912 -7.108 1.00 0.00 C ATOM 1140 CG GLU A 76 -0.128 -3.391 -8.543 1.00 0.00 C ATOM 1141 CD GLU A 76 1.130 -3.044 -9.298 1.00 0.00 C ATOM 1142 OE1 GLU A 76 1.632 -1.918 -9.137 1.00 0.00 O ATOM 1143 OE2 GLU A 76 1.587 -3.884 -10.100 1.00 0.00 O1- ATOM 0 H GLU A 76 -2.251 -2.218 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.529 -4.318 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.031 -1.835 -7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.688 -3.375 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.260 -4.473 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.983 -2.960 -9.064 1.00 0.00 H new ATOM 1150 N PHE A 77 -1.702 -1.330 -4.972 1.00 0.00 N ATOM 1151 CA PHE A 77 -1.849 -0.635 -3.713 1.00 0.00 C ATOM 1152 C PHE A 77 -3.101 -1.110 -2.987 1.00 0.00 C ATOM 1153 O PHE A 77 -3.093 -1.231 -1.775 1.00 0.00 O ATOM 1154 CB PHE A 77 -1.875 0.875 -3.924 1.00 0.00 C ATOM 1155 CG PHE A 77 -1.816 1.631 -2.639 1.00 0.00 C ATOM 1156 CD1 PHE A 77 -2.925 2.284 -2.177 1.00 0.00 C ATOM 1157 CD2 PHE A 77 -0.659 1.661 -1.886 1.00 0.00 C ATOM 1158 CE1 PHE A 77 -2.898 2.967 -0.975 1.00 0.00 C ATOM 1159 CE2 PHE A 77 -0.614 2.343 -0.690 1.00 0.00 C ATOM 1160 CZ PHE A 77 -1.734 2.997 -0.234 1.00 0.00 C ATOM 0 H PHE A 77 -1.783 -0.732 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.986 -0.866 -3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.033 1.166 -4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.783 1.148 -4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.835 2.266 -2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.221 1.144 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.782 3.474 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.298 2.364 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.703 3.534 0.703 1.00 0.00 H new ATOM 1170 N LEU A 78 -4.153 -1.411 -3.732 1.00 0.00 N ATOM 1171 CA LEU A 78 -5.374 -1.933 -3.167 1.00 0.00 C ATOM 1172 C LEU A 78 -5.134 -3.283 -2.533 1.00 0.00 C ATOM 1173 O LEU A 78 -5.611 -3.542 -1.437 1.00 0.00 O ATOM 1174 CB LEU A 78 -6.430 -2.046 -4.260 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.192 -0.769 -4.567 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.198 -0.999 -5.672 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.889 -0.286 -3.317 1.00 0.00 C ATOM 0 H LEU A 78 -4.178 -1.298 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.725 -1.251 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.946 -2.388 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.146 -2.815 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.487 -0.009 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.733 -0.071 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.680 -1.325 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.908 -1.767 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.436 0.631 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.585 -1.050 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.149 -0.090 -2.541 1.00 0.00 H new ATOM 1189 N VAL A 79 -4.392 -4.144 -3.214 1.00 0.00 N ATOM 1190 CA VAL A 79 -4.013 -5.415 -2.625 1.00 0.00 C ATOM 1191 C VAL A 79 -3.118 -5.177 -1.421 1.00 0.00 C ATOM 1192 O VAL A 79 -3.331 -5.757 -0.372 1.00 0.00 O ATOM 1193 CB VAL A 79 -3.324 -6.365 -3.637 1.00 0.00 C ATOM 1194 CG1 VAL A 79 -2.480 -7.422 -2.932 1.00 0.00 C ATOM 1195 CG2 VAL A 79 -4.373 -7.062 -4.480 1.00 0.00 C ATOM 0 H VAL A 79 -4.046 -3.988 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.930 -5.913 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.670 -5.759 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.013 -8.069 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.707 -6.934 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.116 -8.019 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.885 -7.729 -5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.033 -7.640 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.957 -6.318 -5.023 1.00 0.00 H new ATOM 1205 N MET A 80 -2.136 -4.301 -1.560 1.00 0.00 N ATOM 1206 CA MET A 80 -1.226 -4.011 -0.460 1.00 0.00 C ATOM 1207 C MET A 80 -1.972 -3.441 0.742 1.00 0.00 C ATOM 1208 O MET A 80 -1.663 -3.758 1.894 1.00 0.00 O ATOM 1209 CB MET A 80 -0.137 -3.055 -0.915 1.00 0.00 C ATOM 1210 CG MET A 80 0.992 -2.957 0.090 1.00 0.00 C ATOM 1211 SD MET A 80 2.481 -2.172 -0.530 1.00 0.00 S ATOM 1212 CE MET A 80 1.960 -0.478 -0.480 1.00 0.00 C ATOM 0 H MET A 80 -1.948 -3.781 -2.417 1.00 0.00 H new ATOM 0 HA MET A 80 -0.764 -4.948 -0.149 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.260 -3.388 -1.874 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.567 -2.066 -1.074 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.640 -2.401 0.959 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.243 -3.961 0.434 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.779 -0.123 -1.495 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.042 -0.397 0.102 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.738 0.128 -0.017 1.00 0.00 H new ATOM 1222 N MET A 81 -2.944 -2.599 0.455 1.00 0.00 N ATOM 1223 CA MET A 81 -3.829 -2.047 1.441 1.00 0.00 C ATOM 1224 C MET A 81 -4.756 -3.104 2.030 1.00 0.00 C ATOM 1225 O MET A 81 -4.851 -3.257 3.249 1.00 0.00 O ATOM 1226 CB MET A 81 -4.617 -0.952 0.759 1.00 0.00 C ATOM 1227 CG MET A 81 -3.850 0.346 0.672 1.00 0.00 C ATOM 1228 SD MET A 81 -2.871 0.677 2.150 1.00 0.00 S ATOM 1229 CE MET A 81 -1.274 0.026 1.644 1.00 0.00 C ATOM 0 H MET A 81 -3.139 -2.277 -0.493 1.00 0.00 H new ATOM 0 HA MET A 81 -3.256 -1.652 2.280 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.890 -1.277 -0.245 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.546 -0.785 1.303 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.191 0.316 -0.196 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.550 1.167 0.513 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.000 -0.808 2.290 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.332 -0.319 0.612 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.520 0.809 1.723 1.00 0.00 H new ATOM 1239 N VAL A 82 -5.416 -3.840 1.150 1.00 0.00 N ATOM 1240 CA VAL A 82 -6.380 -4.864 1.537 1.00 0.00 C ATOM 1241 C VAL A 82 -5.702 -5.993 2.316 1.00 0.00 C ATOM 1242 O VAL A 82 -6.311 -6.642 3.166 1.00 0.00 O ATOM 1243 CB VAL A 82 -7.060 -5.441 0.292 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -6.313 -6.643 -0.228 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -8.483 -5.793 0.600 1.00 0.00 C ATOM 0 H VAL A 82 -5.299 -3.745 0.141 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.126 -4.398 2.180 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.048 -4.681 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.819 -7.031 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.295 -6.354 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.284 -7.414 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.958 -6.202 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.510 -6.535 1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.018 -4.898 0.918 1.00 0.00 H new ATOM 1255 N ARG A 83 -4.435 -6.209 2.008 1.00 0.00 N ATOM 1256 CA ARG A 83 -3.646 -7.256 2.620 1.00 0.00 C ATOM 1257 C ARG A 83 -3.585 -7.096 4.127 1.00 0.00 C ATOM 1258 O ARG A 83 -3.572 -8.078 4.869 1.00 0.00 O ATOM 1259 CB ARG A 83 -2.251 -7.244 2.033 1.00 0.00 C ATOM 1260 CG ARG A 83 -2.109 -8.146 0.827 1.00 0.00 C ATOM 1261 CD ARG A 83 -0.783 -7.950 0.127 1.00 0.00 C ATOM 1262 NE ARG A 83 0.321 -8.616 0.821 1.00 0.00 N ATOM 1263 CZ ARG A 83 1.552 -8.116 0.917 1.00 0.00 C ATOM 1264 NH1 ARG A 83 1.850 -6.953 0.354 1.00 0.00 N1+ ATOM 1265 NH2 ARG A 83 2.497 -8.790 1.556 1.00 0.00 N ATOM 0 H ARG A 83 -3.924 -5.656 1.320 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.123 -8.214 2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.991 -6.224 1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.538 -7.554 2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.204 -9.186 1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.921 -7.947 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.853 -8.334 -0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.570 -6.884 0.051 1.00 0.00 H new ATOM 0 HE ARG A 83 0.136 -9.519 1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.135 -6.435 -0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.795 -6.576 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.283 -9.694 1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.439 -8.404 1.628 1.00 0.00 H new ATOM 1279 N SER A 84 -3.546 -5.854 4.575 1.00 0.00 N ATOM 1280 CA SER A 84 -3.477 -5.574 5.991 1.00 0.00 C ATOM 1281 C SER A 84 -4.850 -5.705 6.637 1.00 0.00 C ATOM 1282 O SER A 84 -4.953 -5.823 7.853 1.00 0.00 O ATOM 1283 CB SER A 84 -2.907 -4.176 6.241 1.00 0.00 C ATOM 1284 OG SER A 84 -1.663 -4.006 5.572 1.00 0.00 O ATOM 0 H SER A 84 -3.561 -5.027 3.977 1.00 0.00 H new ATOM 0 HA SER A 84 -2.810 -6.307 6.445 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.616 -3.423 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.773 -4.020 7.311 1.00 0.00 H new ATOM 0 HG SER A 84 -1.319 -3.105 5.745 1.00 0.00 H new ATOM 1290 N MET A 85 -5.907 -5.685 5.828 1.00 0.00 N ATOM 1291 CA MET A 85 -7.258 -5.706 6.374 1.00 0.00 C ATOM 1292 C MET A 85 -7.822 -7.124 6.459 1.00 0.00 C ATOM 1293 O MET A 85 -8.880 -7.325 7.053 1.00 0.00 O ATOM 1294 CB MET A 85 -8.224 -4.800 5.585 1.00 0.00 C ATOM 1295 CG MET A 85 -8.904 -5.452 4.380 1.00 0.00 C ATOM 1296 SD MET A 85 -10.521 -4.728 4.049 1.00 0.00 S ATOM 1297 CE MET A 85 -11.073 -5.715 2.663 1.00 0.00 C ATOM 0 H MET A 85 -5.855 -5.655 4.810 1.00 0.00 H new ATOM 0 HA MET A 85 -7.174 -5.309 7.386 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.996 -4.442 6.266 1.00 0.00 H new ATOM 0 HB3 MET A 85 -7.673 -3.925 5.240 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.269 -5.341 3.501 1.00 0.00 H new ATOM 0 HG3 MET A 85 -9.015 -6.521 4.560 1.00 0.00 H new ATOM 0 HE1 MET A 85 -12.145 -5.891 2.746 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.863 -5.186 1.733 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.547 -6.670 2.664 1.00 0.00 H new ATOM 1307 N LYS A 86 -7.136 -8.110 5.867 1.00 0.00 N ATOM 1308 CA LYS A 86 -7.631 -9.485 5.889 1.00 0.00 C ATOM 1309 C LYS A 86 -7.717 -9.984 7.325 1.00 0.00 C ATOM 1310 O LYS A 86 -8.667 -10.659 7.717 1.00 0.00 O ATOM 1311 CB LYS A 86 -6.739 -10.418 5.057 1.00 0.00 C ATOM 1312 CG LYS A 86 -7.432 -10.964 3.812 1.00 0.00 C ATOM 1313 CD LYS A 86 -8.710 -11.711 4.165 1.00 0.00 C ATOM 1314 CE LYS A 86 -9.414 -12.225 2.922 1.00 0.00 C ATOM 1315 NZ LYS A 86 -10.758 -12.775 3.233 1.00 0.00 N1+ ATOM 0 H LYS A 86 -6.251 -7.982 5.376 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.626 -9.491 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.841 -9.878 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.417 -11.252 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.665 -10.142 3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.754 -11.632 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.474 -12.547 4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.379 -11.050 4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.512 -11.415 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.805 -12.998 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.205 -13.115 2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.663 -13.565 3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.348 -12.031 3.656 1.00 0.00 H new ATOM 1329 N ASP A 87 -6.706 -9.630 8.091 1.00 0.00 N ATOM 1330 CA ASP A 87 -6.677 -9.859 9.523 1.00 0.00 C ATOM 1331 C ASP A 87 -6.142 -8.596 10.177 1.00 0.00 C ATOM 1332 O ASP A 87 -6.211 -7.533 9.568 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.802 -11.071 9.861 1.00 0.00 C ATOM 1334 CG ASP A 87 -6.506 -12.390 9.605 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -6.058 -13.152 8.727 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -7.503 -12.683 10.297 1.00 0.00 O1- ATOM 0 H ASP A 87 -5.870 -9.169 7.733 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.678 -10.079 9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.888 -11.031 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.506 -11.019 10.909 1.00 0.00 H new ATOM 1341 N ASP A 88 -5.628 -8.687 11.398 1.00 0.00 N ATOM 1342 CA ASP A 88 -4.999 -7.529 12.035 1.00 0.00 C ATOM 1343 C ASP A 88 -3.887 -6.982 11.157 1.00 0.00 C ATOM 1344 O ASP A 88 -3.908 -5.815 10.763 1.00 0.00 O ATOM 1345 CB ASP A 88 -4.429 -7.887 13.402 1.00 0.00 C ATOM 1346 CG ASP A 88 -5.499 -8.254 14.409 1.00 0.00 C ATOM 1347 OD1 ASP A 88 -6.110 -7.339 15.001 1.00 0.00 O ATOM 1348 OD2 ASP A 88 -5.735 -9.463 14.613 1.00 0.00 O1- ATOM 0 H ASP A 88 -5.632 -9.536 11.963 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.770 -6.770 12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.737 -8.722 13.294 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.853 -7.043 13.782 1.00 0.00 H new ATOM 1353 N SER A 89 -2.915 -7.827 10.859 1.00 0.00 N ATOM 1354 CA SER A 89 -1.852 -7.459 9.948 1.00 0.00 C ATOM 1355 C SER A 89 -1.592 -8.574 8.939 1.00 0.00 C ATOM 1356 O SER A 89 -0.836 -8.392 7.980 1.00 0.00 O ATOM 1357 CB SER A 89 -0.576 -7.132 10.713 1.00 0.00 C ATOM 1358 OG SER A 89 -0.779 -6.063 11.627 1.00 0.00 O ATOM 0 H SER A 89 -2.842 -8.772 11.236 1.00 0.00 H new ATOM 0 HA SER A 89 -2.168 -6.569 9.404 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.238 -8.016 11.254 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.214 -6.867 10.010 1.00 0.00 H new ATOM 0 HG SER A 89 0.057 -5.877 12.104 1.00 0.00 H new ATOM 1364 N LYS A 90 -2.247 -9.724 9.166 1.00 0.00 N ATOM 1365 CA LYS A 90 -2.041 -10.937 8.370 1.00 0.00 C ATOM 1366 C LYS A 90 -0.647 -11.513 8.612 1.00 0.00 C ATOM 1367 O LYS A 90 0.341 -10.783 8.708 1.00 0.00 O ATOM 1368 CB LYS A 90 -2.277 -10.680 6.872 1.00 0.00 C ATOM 1369 CG LYS A 90 -3.694 -11.002 6.403 1.00 0.00 C ATOM 1370 CD LYS A 90 -3.990 -12.494 6.488 1.00 0.00 C ATOM 1371 CE LYS A 90 -3.045 -13.303 5.619 1.00 0.00 C ATOM 1372 NZ LYS A 90 -3.335 -14.763 5.676 1.00 0.00 N1+ ATOM 0 H LYS A 90 -2.936 -9.835 9.910 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.777 -11.672 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.062 -9.634 6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.570 -11.277 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.412 -10.453 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.823 -10.663 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.905 -12.824 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.018 -12.679 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.120 -12.960 4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.018 -13.126 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.452 -15.298 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.749 -14.999 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.006 -15.013 4.922 1.00 0.00 H new ATOM 1386 N GLY A 136 -0.580 -12.826 8.749 1.00 0.00 N ATOM 1387 CA GLY A 136 0.681 -13.483 9.028 1.00 0.00 C ATOM 1388 C GLY A 136 1.279 -14.133 7.802 1.00 0.00 C ATOM 1389 O GLY A 136 2.084 -13.523 7.097 1.00 0.00 O ATOM 0 H GLY A 136 -1.380 -13.454 8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 136 1.386 -12.754 9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 136 0.530 -14.239 9.799 1.00 0.00 H new ATOM 1393 N LYS A 137 0.885 -15.369 7.541 1.00 0.00 N ATOM 1394 CA LYS A 137 1.416 -16.110 6.410 1.00 0.00 C ATOM 1395 C LYS A 137 0.447 -16.105 5.241 1.00 0.00 C ATOM 1396 O LYS A 137 -0.590 -15.439 5.287 1.00 0.00 O ATOM 1397 CB LYS A 137 1.772 -17.538 6.814 1.00 0.00 C ATOM 1398 CG LYS A 137 3.031 -17.622 7.667 1.00 0.00 C ATOM 1399 CD LYS A 137 4.227 -17.003 6.951 1.00 0.00 C ATOM 1400 CE LYS A 137 5.489 -17.048 7.797 1.00 0.00 C ATOM 1401 NZ LYS A 137 5.356 -16.267 9.057 1.00 0.00 N1+ ATOM 0 H LYS A 137 0.199 -15.880 8.097 1.00 0.00 H new ATOM 0 HA LYS A 137 2.329 -15.610 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.938 -17.972 7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 137 1.908 -18.140 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 137 2.866 -17.109 8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 137 3.245 -18.665 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.401 -17.532 6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.000 -15.968 6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.724 -18.085 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 137 6.326 -16.658 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 6.289 -16.172 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.977 -15.323 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 4.709 -16.760 9.704 1.00 0.00 H new ATOM 1415 N PHE A 138 0.799 -16.850 4.189 1.00 0.00 N ATOM 1416 CA PHE A 138 0.125 -16.738 2.904 1.00 0.00 C ATOM 1417 C PHE A 138 0.285 -15.296 2.449 1.00 0.00 C ATOM 1418 O PHE A 138 -0.594 -14.689 1.834 1.00 0.00 O ATOM 1419 CB PHE A 138 -1.346 -17.155 3.007 1.00 0.00 C ATOM 1420 CG PHE A 138 -1.977 -17.480 1.682 1.00 0.00 C ATOM 1421 CD1 PHE A 138 -1.397 -18.417 0.842 1.00 0.00 C ATOM 1422 CD2 PHE A 138 -3.150 -16.862 1.280 1.00 0.00 C ATOM 1423 CE1 PHE A 138 -1.973 -18.733 -0.372 1.00 0.00 C ATOM 1424 CE2 PHE A 138 -3.730 -17.175 0.065 1.00 0.00 C ATOM 1425 CZ PHE A 138 -3.140 -18.110 -0.762 1.00 0.00 C ATOM 0 H PHE A 138 1.551 -17.539 4.209 1.00 0.00 H new ATOM 0 HA PHE A 138 0.566 -17.413 2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 138 -1.423 -18.025 3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 138 -1.910 -16.351 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 138 -0.482 -18.907 1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 138 -3.616 -16.129 1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 138 -1.511 -19.467 -1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 138 -4.645 -16.688 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 138 -3.591 -18.353 -1.713 1.00 0.00 H new ATOM 1435 N LYS A 139 1.460 -14.782 2.772 1.00 0.00 N ATOM 1436 CA LYS A 139 1.794 -13.383 2.640 1.00 0.00 C ATOM 1437 C LYS A 139 3.287 -13.219 2.903 1.00 0.00 C ATOM 1438 O LYS A 139 3.850 -13.941 3.728 1.00 0.00 O ATOM 1439 CB LYS A 139 0.978 -12.567 3.647 1.00 0.00 C ATOM 1440 CG LYS A 139 1.482 -11.149 3.863 1.00 0.00 C ATOM 1441 CD LYS A 139 1.098 -10.615 5.237 1.00 0.00 C ATOM 1442 CE LYS A 139 1.912 -9.380 5.596 1.00 0.00 C ATOM 1443 NZ LYS A 139 1.700 -8.955 7.006 1.00 0.00 N1+ ATOM 0 H LYS A 139 2.225 -15.346 3.143 1.00 0.00 H new ATOM 0 HA LYS A 139 1.560 -13.026 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -0.057 -12.524 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 139 0.978 -13.089 4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 139 2.566 -11.128 3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 139 1.073 -10.496 3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 139 0.036 -10.370 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 139 1.257 -11.389 5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 139 2.970 -9.586 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 139 1.642 -8.562 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 2.482 -8.338 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 0.802 -8.436 7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 1.667 -9.794 7.620 1.00 0.00 H new ATOM 1457 N ARG A 140 3.936 -12.314 2.186 1.00 0.00 N ATOM 1458 CA ARG A 140 5.339 -12.029 2.452 1.00 0.00 C ATOM 1459 C ARG A 140 5.447 -11.149 3.687 1.00 0.00 C ATOM 1460 O ARG A 140 4.556 -10.348 3.974 1.00 0.00 O ATOM 1461 CB ARG A 140 6.028 -11.354 1.271 1.00 0.00 C ATOM 1462 CG ARG A 140 5.694 -11.963 -0.080 1.00 0.00 C ATOM 1463 CD ARG A 140 6.062 -13.436 -0.152 1.00 0.00 C ATOM 1464 NE ARG A 140 7.493 -13.663 0.038 1.00 0.00 N ATOM 1465 CZ ARG A 140 8.053 -14.869 0.065 1.00 0.00 C ATOM 1466 NH1 ARG A 140 7.300 -15.955 -0.056 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 140 9.364 -14.987 0.225 1.00 0.00 N ATOM 0 H ARG A 140 3.523 -11.772 1.427 1.00 0.00 H new ATOM 0 HA ARG A 140 5.846 -12.979 2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.752 -10.299 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 140 7.107 -11.400 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 140 4.628 -11.846 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 140 6.223 -11.419 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.506 -13.984 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.759 -13.837 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 140 8.097 -12.850 0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 140 6.290 -15.865 -0.170 1.00 0.00 H new ATOM 0 HH12 ARG A 140 7.731 -16.879 -0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 140 9.942 -14.153 0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 140 9.794 -15.912 0.246 1.00 0.00 H new ATOM 1481 N PRO A 141 6.562 -11.277 4.398 1.00 0.00 N ATOM 1482 CA PRO A 141 6.750 -10.713 5.720 1.00 0.00 C ATOM 1483 C PRO A 141 7.258 -9.279 5.690 1.00 0.00 C ATOM 1484 O PRO A 141 7.362 -8.624 6.730 1.00 0.00 O ATOM 1485 CB PRO A 141 7.802 -11.638 6.331 1.00 0.00 C ATOM 1486 CG PRO A 141 8.581 -12.181 5.180 1.00 0.00 C ATOM 1487 CD PRO A 141 7.753 -11.977 3.938 1.00 0.00 C ATOM 0 HA PRO A 141 5.815 -10.659 6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 141 8.449 -11.094 7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 141 7.334 -12.441 6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 141 9.540 -11.670 5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 141 8.797 -13.239 5.328 1.00 0.00 H new ATOM 0 HD2 PRO A 141 8.293 -11.392 3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 141 7.498 -12.929 3.472 1.00 0.00 H new ATOM 1495 N THR A 142 7.557 -8.798 4.484 1.00 0.00 N ATOM 1496 CA THR A 142 8.112 -7.468 4.293 1.00 0.00 C ATOM 1497 C THR A 142 9.406 -7.337 5.062 1.00 0.00 C ATOM 1498 O THR A 142 9.617 -6.385 5.818 1.00 0.00 O ATOM 1499 CB THR A 142 7.123 -6.384 4.735 1.00 0.00 C ATOM 1500 OG1 THR A 142 5.810 -6.742 4.294 1.00 0.00 O ATOM 1501 CG2 THR A 142 7.501 -5.038 4.144 1.00 0.00 C ATOM 0 H THR A 142 7.420 -9.320 3.618 1.00 0.00 H new ATOM 0 HA THR A 142 8.307 -7.330 3.230 1.00 0.00 H new ATOM 0 HB THR A 142 7.149 -6.306 5.822 1.00 0.00 H new ATOM 0 HG1 THR A 142 5.873 -7.259 3.464 1.00 0.00 H new ATOM 0 HG21 THR A 142 6.786 -4.283 4.471 1.00 0.00 H new ATOM 0 HG22 THR A 142 8.500 -4.761 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 142 7.489 -5.102 3.056 1.00 0.00 H new ATOM 1509 N LEU A 143 10.267 -8.318 4.847 1.00 0.00 N ATOM 1510 CA LEU A 143 11.524 -8.428 5.555 1.00 0.00 C ATOM 1511 C LEU A 143 11.270 -8.663 7.045 1.00 0.00 C ATOM 1512 O LEU A 143 11.144 -9.805 7.489 1.00 0.00 O ATOM 1513 CB LEU A 143 12.407 -7.187 5.348 1.00 0.00 C ATOM 1514 CG LEU A 143 12.919 -6.952 3.920 1.00 0.00 C ATOM 1515 CD1 LEU A 143 13.422 -8.240 3.288 1.00 0.00 C ATOM 1516 CD2 LEU A 143 11.829 -6.343 3.070 1.00 0.00 C ATOM 0 H LEU A 143 10.108 -9.064 4.170 1.00 0.00 H new ATOM 0 HA LEU A 143 12.063 -9.282 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 143 11.842 -6.308 5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 143 13.268 -7.264 6.013 1.00 0.00 H new ATOM 0 HG LEU A 143 13.759 -6.260 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 143 13.777 -8.035 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 143 14.240 -8.643 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 143 12.610 -8.967 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 143 12.204 -6.181 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 143 10.974 -7.018 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 143 11.522 -5.390 3.500 1.00 0.00 H new ATOM 1528 N ARG A 144 11.153 -7.566 7.790 1.00 0.00 N ATOM 1529 CA ARG A 144 10.868 -7.591 9.229 1.00 0.00 C ATOM 1530 C ARG A 144 10.934 -6.171 9.779 1.00 0.00 C ATOM 1531 O ARG A 144 10.288 -5.840 10.771 1.00 0.00 O ATOM 1532 CB ARG A 144 11.846 -8.489 10.015 1.00 0.00 C ATOM 1533 CG ARG A 144 13.274 -7.958 10.087 1.00 0.00 C ATOM 1534 CD ARG A 144 14.040 -8.224 8.804 1.00 0.00 C ATOM 1535 NE ARG A 144 15.212 -7.364 8.676 1.00 0.00 N ATOM 1536 CZ ARG A 144 15.867 -7.173 7.534 1.00 0.00 C ATOM 1537 NH1 ARG A 144 15.510 -7.840 6.444 1.00 0.00 N1+ ATOM 1538 NH2 ARG A 144 16.887 -6.327 7.485 1.00 0.00 N ATOM 0 H ARG A 144 11.254 -6.624 7.411 1.00 0.00 H new ATOM 0 HA ARG A 144 9.870 -8.011 9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 144 11.468 -8.616 11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 144 11.862 -9.477 9.555 1.00 0.00 H new ATOM 0 HG2 ARG A 144 13.254 -6.886 10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 144 13.794 -8.425 10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 144 14.352 -9.268 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 144 13.381 -8.068 7.950 1.00 0.00 H new ATOM 0 HE ARG A 144 15.548 -6.882 9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 144 14.733 -8.500 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 144 16.013 -7.693 5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 144 17.171 -5.821 8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 144 17.388 -6.182 6.608 1.00 0.00 H new ATOM 1552 N ARG A 145 11.727 -5.339 9.112 1.00 0.00 N ATOM 1553 CA ARG A 145 11.956 -3.968 9.543 1.00 0.00 C ATOM 1554 C ARG A 145 10.727 -3.105 9.286 1.00 0.00 C ATOM 1555 O ARG A 145 10.160 -2.524 10.212 1.00 0.00 O ATOM 1556 CB ARG A 145 13.166 -3.401 8.794 1.00 0.00 C ATOM 1557 CG ARG A 145 13.860 -2.231 9.478 1.00 0.00 C ATOM 1558 CD ARG A 145 13.022 -0.964 9.483 1.00 0.00 C ATOM 1559 NE ARG A 145 13.800 0.179 9.946 1.00 0.00 N ATOM 1560 CZ ARG A 145 13.300 1.215 10.617 1.00 0.00 C ATOM 1561 NH1 ARG A 145 11.995 1.302 10.863 1.00 0.00 N1+ ATOM 1562 NH2 ARG A 145 14.110 2.183 11.026 1.00 0.00 N ATOM 0 H ARG A 145 12.227 -5.596 8.261 1.00 0.00 H new ATOM 0 HA ARG A 145 12.152 -3.962 10.615 1.00 0.00 H new ATOM 0 HB2 ARG A 145 13.893 -4.201 8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 145 12.843 -3.083 7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 145 14.097 -2.507 10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 145 14.806 -2.032 8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 145 12.646 -0.769 8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 145 12.153 -1.101 10.127 1.00 0.00 H new ATOM 0 HE ARG A 145 14.799 0.186 9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 145 11.365 0.570 10.536 1.00 0.00 H new ATOM 0 HH12 ARG A 145 11.625 2.101 11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 145 15.109 2.131 10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.734 2.979 11.540 1.00 0.00 H new ATOM 1576 N VAL A 146 10.324 -3.007 8.029 1.00 0.00 N ATOM 1577 CA VAL A 146 9.195 -2.162 7.681 1.00 0.00 C ATOM 1578 C VAL A 146 7.921 -2.946 7.529 1.00 0.00 C ATOM 1579 O VAL A 146 7.944 -4.147 7.261 1.00 0.00 O ATOM 1580 CB VAL A 146 9.391 -1.390 6.363 1.00 0.00 C ATOM 1581 CG1 VAL A 146 10.287 -0.210 6.556 1.00 0.00 C ATOM 1582 CG2 VAL A 146 9.939 -2.267 5.256 1.00 0.00 C ATOM 0 H VAL A 146 10.755 -3.495 7.244 1.00 0.00 H new ATOM 0 HA VAL A 146 9.128 -1.463 8.514 1.00 0.00 H new ATOM 0 HB VAL A 146 8.402 -1.046 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 146 10.406 0.315 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 146 9.848 0.464 7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 146 11.261 -0.547 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 146 10.059 -1.675 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 146 10.906 -2.670 5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 146 9.247 -3.087 5.065 1.00 0.00 H new ATOM 1592 N ARG A 147 6.816 -2.247 7.712 1.00 0.00 N ATOM 1593 CA ARG A 147 5.539 -2.717 7.240 1.00 0.00 C ATOM 1594 C ARG A 147 4.483 -1.632 7.354 1.00 0.00 C ATOM 1595 O ARG A 147 4.372 -0.950 8.372 1.00 0.00 O ATOM 1596 CB ARG A 147 5.080 -3.991 7.962 1.00 0.00 C ATOM 1597 CG ARG A 147 3.770 -4.537 7.416 1.00 0.00 C ATOM 1598 CD ARG A 147 3.820 -4.624 5.901 1.00 0.00 C ATOM 1599 NE ARG A 147 2.580 -5.116 5.322 1.00 0.00 N ATOM 1600 CZ ARG A 147 2.488 -5.561 4.076 1.00 0.00 C ATOM 1601 NH1 ARG A 147 3.569 -5.574 3.312 1.00 0.00 N1+ ATOM 1602 NH2 ARG A 147 1.330 -6.004 3.603 1.00 0.00 N ATOM 0 H ARG A 147 6.784 -1.346 8.189 1.00 0.00 H new ATOM 0 HA ARG A 147 5.669 -2.971 6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 147 5.853 -4.754 7.870 1.00 0.00 H new ATOM 0 HB3 ARG A 147 4.966 -3.780 9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 147 3.577 -5.524 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 147 2.945 -3.893 7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 147 4.040 -3.638 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 147 4.639 -5.281 5.606 1.00 0.00 H new ATOM 0 HE ARG A 147 1.741 -5.119 5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 147 4.460 -5.244 3.683 1.00 0.00 H new ATOM 0 HH12 ARG A 147 3.511 -5.914 2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.502 -6.004 4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.268 -6.345 2.644 1.00 0.00 H new ATOM 1616 N ILE A 148 3.734 -1.469 6.274 1.00 0.00 N ATOM 1617 CA ILE A 148 2.649 -0.519 6.215 1.00 0.00 C ATOM 1618 C ILE A 148 1.516 -0.877 7.174 1.00 0.00 C ATOM 1619 O ILE A 148 0.841 -1.895 7.006 1.00 0.00 O ATOM 1620 CB ILE A 148 2.107 -0.405 4.788 1.00 0.00 C ATOM 1621 CG1 ILE A 148 3.119 0.354 3.934 1.00 0.00 C ATOM 1622 CG2 ILE A 148 0.754 0.290 4.778 1.00 0.00 C ATOM 1623 CD1 ILE A 148 2.628 0.697 2.562 1.00 0.00 C ATOM 0 H ILE A 148 3.868 -1.998 5.412 1.00 0.00 H new ATOM 0 HA ILE A 148 3.054 0.444 6.525 1.00 0.00 H new ATOM 0 HB ILE A 148 1.962 -1.402 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 148 3.396 1.274 4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 148 4.025 -0.246 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.388 0.360 3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.046 -0.283 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 148 0.856 1.292 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 148 3.406 1.235 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 148 2.379 -0.218 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 148 1.740 1.325 2.640 1.00 0.00 H new ATOM 1635 N SER A 149 1.347 -0.058 8.198 1.00 0.00 N ATOM 1636 CA SER A 149 0.158 -0.111 9.022 1.00 0.00 C ATOM 1637 C SER A 149 -0.945 0.685 8.331 1.00 0.00 C ATOM 1638 O SER A 149 -0.958 1.908 8.401 1.00 0.00 O ATOM 1639 CB SER A 149 0.459 0.443 10.410 1.00 0.00 C ATOM 1640 OG SER A 149 1.489 -0.305 11.041 1.00 0.00 O ATOM 0 H SER A 149 2.023 0.653 8.477 1.00 0.00 H new ATOM 0 HA SER A 149 -0.173 -1.142 9.147 1.00 0.00 H new ATOM 0 HB2 SER A 149 0.758 1.488 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 149 -0.443 0.415 11.021 1.00 0.00 H new ATOM 0 HG SER A 149 1.667 0.069 11.929 1.00 0.00 H new ATOM 1646 N ALA A 150 -1.846 -0.031 7.651 1.00 0.00 N ATOM 1647 CA ALA A 150 -2.821 0.572 6.733 1.00 0.00 C ATOM 1648 C ALA A 150 -3.483 1.808 7.308 1.00 0.00 C ATOM 1649 O ALA A 150 -3.311 2.910 6.787 1.00 0.00 O ATOM 1650 CB ALA A 150 -3.885 -0.445 6.364 1.00 0.00 C ATOM 0 H ALA A 150 -1.921 -1.046 7.721 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.268 0.881 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -4.604 0.011 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -3.417 -1.301 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -4.400 -0.777 7.266 1.00 0.00 H new ATOM 1656 N ASP A 151 -4.206 1.624 8.401 1.00 0.00 N ATOM 1657 CA ASP A 151 -4.977 2.701 9.003 1.00 0.00 C ATOM 1658 C ASP A 151 -4.073 3.830 9.462 1.00 0.00 C ATOM 1659 O ASP A 151 -4.368 5.003 9.234 1.00 0.00 O ATOM 1660 CB ASP A 151 -5.784 2.168 10.181 1.00 0.00 C ATOM 1661 CG ASP A 151 -6.576 3.255 10.876 1.00 0.00 C ATOM 1662 OD1 ASP A 151 -6.132 3.738 11.939 1.00 0.00 O ATOM 1663 OD2 ASP A 151 -7.647 3.638 10.359 1.00 0.00 O1- ATOM 0 H ASP A 151 -4.275 0.733 8.892 1.00 0.00 H new ATOM 0 HA ASP A 151 -5.657 3.096 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 151 -6.466 1.393 9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 151 -5.110 1.699 10.897 1.00 0.00 H new ATOM 1668 N ALA A 152 -2.965 3.467 10.083 1.00 0.00 N ATOM 1669 CA ALA A 152 -2.013 4.444 10.584 1.00 0.00 C ATOM 1670 C ALA A 152 -1.386 5.221 9.433 1.00 0.00 C ATOM 1671 O ALA A 152 -1.114 6.414 9.545 1.00 0.00 O ATOM 1672 CB ALA A 152 -0.938 3.742 11.400 1.00 0.00 C ATOM 0 H ALA A 152 -2.701 2.497 10.253 1.00 0.00 H new ATOM 0 HA ALA A 152 -2.539 5.152 11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -0.226 4.478 11.774 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -1.400 3.224 12.241 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.417 3.020 10.771 1.00 0.00 H new ATOM 1678 N MET A 153 -1.184 4.544 8.317 1.00 0.00 N ATOM 1679 CA MET A 153 -0.591 5.164 7.145 1.00 0.00 C ATOM 1680 C MET A 153 -1.608 6.046 6.427 1.00 0.00 C ATOM 1681 O MET A 153 -1.246 7.067 5.841 1.00 0.00 O ATOM 1682 CB MET A 153 -0.057 4.104 6.197 1.00 0.00 C ATOM 1683 CG MET A 153 0.654 4.682 4.992 1.00 0.00 C ATOM 1684 SD MET A 153 0.764 3.499 3.647 1.00 0.00 S ATOM 1685 CE MET A 153 -0.966 3.374 3.220 1.00 0.00 C ATOM 0 H MET A 153 -1.423 3.560 8.197 1.00 0.00 H new ATOM 0 HA MET A 153 0.238 5.790 7.475 1.00 0.00 H new ATOM 0 HB2 MET A 153 0.631 3.455 6.739 1.00 0.00 H new ATOM 0 HB3 MET A 153 -0.884 3.480 5.858 1.00 0.00 H new ATOM 0 HG2 MET A 153 0.125 5.571 4.650 1.00 0.00 H new ATOM 0 HG3 MET A 153 1.657 4.999 5.280 1.00 0.00 H new ATOM 0 HE1 MET A 153 -1.064 2.962 2.216 1.00 0.00 H new ATOM 0 HE2 MET A 153 -1.470 2.720 3.932 1.00 0.00 H new ATOM 0 HE3 MET A 153 -1.421 4.364 3.252 1.00 0.00 H new ATOM 1695 N MET A 154 -2.879 5.642 6.469 1.00 0.00 N ATOM 1696 CA MET A 154 -3.969 6.469 5.952 1.00 0.00 C ATOM 1697 C MET A 154 -3.909 7.852 6.593 1.00 0.00 C ATOM 1698 O MET A 154 -4.155 8.870 5.941 1.00 0.00 O ATOM 1699 CB MET A 154 -5.334 5.844 6.272 1.00 0.00 C ATOM 1700 CG MET A 154 -5.573 4.446 5.724 1.00 0.00 C ATOM 1701 SD MET A 154 -6.155 4.409 4.022 1.00 0.00 S ATOM 1702 CE MET A 154 -4.666 4.870 3.161 1.00 0.00 C ATOM 0 H MET A 154 -3.178 4.747 6.856 1.00 0.00 H new ATOM 0 HA MET A 154 -3.854 6.542 4.871 1.00 0.00 H new ATOM 0 HB2 MET A 154 -5.452 5.813 7.355 1.00 0.00 H new ATOM 0 HB3 MET A 154 -6.112 6.502 5.885 1.00 0.00 H new ATOM 0 HG2 MET A 154 -4.645 3.878 5.791 1.00 0.00 H new ATOM 0 HG3 MET A 154 -6.302 3.940 6.356 1.00 0.00 H new ATOM 0 HE1 MET A 154 -4.667 4.423 2.167 1.00 0.00 H new ATOM 0 HE2 MET A 154 -4.619 5.955 3.070 1.00 0.00 H new ATOM 0 HE3 MET A 154 -3.799 4.515 3.718 1.00 0.00 H new ATOM 1712 N GLN A 155 -3.560 7.864 7.878 1.00 0.00 N ATOM 1713 CA GLN A 155 -3.469 9.097 8.650 1.00 0.00 C ATOM 1714 C GLN A 155 -2.409 10.022 8.062 1.00 0.00 C ATOM 1715 O GLN A 155 -2.637 11.219 7.888 1.00 0.00 O ATOM 1716 CB GLN A 155 -3.109 8.800 10.107 1.00 0.00 C ATOM 1717 CG GLN A 155 -3.766 7.549 10.668 1.00 0.00 C ATOM 1718 CD GLN A 155 -3.507 7.351 12.149 1.00 0.00 C ATOM 1719 OE1 GLN A 155 -2.452 7.718 12.670 1.00 0.00 O ATOM 1720 NE2 GLN A 155 -4.478 6.778 12.842 1.00 0.00 N ATOM 0 H GLN A 155 -3.334 7.023 8.409 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.443 9.584 8.608 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.027 8.696 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.395 9.654 10.722 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -4.841 7.604 10.498 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -3.401 6.679 10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -5.336 6.488 12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -4.368 6.626 13.845 1.00 0.00 H new ATOM 1729 N ALA A 156 -1.260 9.439 7.737 1.00 0.00 N ATOM 1730 CA ALA A 156 -0.093 10.199 7.301 1.00 0.00 C ATOM 1731 C ALA A 156 -0.324 10.918 5.968 1.00 0.00 C ATOM 1732 O ALA A 156 0.198 12.013 5.751 1.00 0.00 O ATOM 1733 CB ALA A 156 1.117 9.274 7.223 1.00 0.00 C ATOM 0 H ALA A 156 -1.111 8.430 7.768 1.00 0.00 H new ATOM 0 HA ALA A 156 0.093 10.979 8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 156 1.989 9.842 6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 156 1.310 8.844 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 156 0.918 8.474 6.510 1.00 0.00 H new ATOM 1739 N LEU A 157 -1.111 10.317 5.086 1.00 0.00 N ATOM 1740 CA LEU A 157 -1.361 10.901 3.768 1.00 0.00 C ATOM 1741 C LEU A 157 -2.610 11.745 3.745 1.00 0.00 C ATOM 1742 O LEU A 157 -2.572 12.953 3.522 1.00 0.00 O ATOM 1743 CB LEU A 157 -1.555 9.819 2.734 1.00 0.00 C ATOM 1744 CG LEU A 157 -0.408 8.854 2.581 1.00 0.00 C ATOM 1745 CD1 LEU A 157 -0.922 7.520 2.090 1.00 0.00 C ATOM 1746 CD2 LEU A 157 0.591 9.428 1.601 1.00 0.00 C ATOM 0 H LEU A 157 -1.586 9.430 5.254 1.00 0.00 H new ATOM 0 HA LEU A 157 -0.490 11.517 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -2.451 9.253 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -1.740 10.292 1.769 1.00 0.00 H new ATOM 0 HG LEU A 157 0.079 8.702 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -0.088 6.826 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -1.637 7.119 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -1.412 7.652 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 157 1.425 8.736 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 157 0.108 9.580 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 157 0.961 10.382 1.976 1.00 0.00 H new ATOM 1758 N LEU A 158 -3.711 11.060 3.983 1.00 0.00 N ATOM 1759 CA LEU A 158 -5.031 11.537 3.635 1.00 0.00 C ATOM 1760 C LEU A 158 -5.414 12.795 4.377 1.00 0.00 C ATOM 1761 O LEU A 158 -5.967 13.708 3.770 1.00 0.00 O ATOM 1762 CB LEU A 158 -6.025 10.418 3.897 1.00 0.00 C ATOM 1763 CG LEU A 158 -5.842 9.206 2.990 1.00 0.00 C ATOM 1764 CD1 LEU A 158 -6.614 8.010 3.515 1.00 0.00 C ATOM 1765 CD2 LEU A 158 -6.300 9.541 1.590 1.00 0.00 C ATOM 0 H LEU A 158 -3.712 10.143 4.430 1.00 0.00 H new ATOM 0 HA LEU A 158 -5.037 11.809 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -5.934 10.100 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -7.036 10.806 3.770 1.00 0.00 H new ATOM 0 HG LEU A 158 -4.783 8.947 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -6.465 7.160 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -6.257 7.756 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -7.675 8.254 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -6.167 8.672 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -7.353 9.821 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -5.711 10.372 1.203 1.00 0.00 H new ATOM 1777 N GLY A 159 -5.106 12.852 5.666 1.00 0.00 N ATOM 1778 CA GLY A 159 -5.466 14.008 6.466 1.00 0.00 C ATOM 1779 C GLY A 159 -6.943 14.335 6.385 1.00 0.00 C ATOM 1780 O GLY A 159 -7.362 15.034 5.458 1.00 0.00 O ATOM 0 H GLY A 159 -4.612 12.117 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -5.195 13.825 7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -4.888 14.870 6.133 1.00 0.00 H new ATOM 1784 N ALA A 160 -7.715 13.816 7.352 1.00 0.00 N ATOM 1785 CA ALA A 160 -9.175 14.010 7.432 1.00 0.00 C ATOM 1786 C ALA A 160 -9.917 12.958 6.629 1.00 0.00 C ATOM 1787 O ALA A 160 -10.828 12.301 7.131 1.00 0.00 O ATOM 1788 CB ALA A 160 -9.596 15.383 6.949 1.00 0.00 C ATOM 0 H ALA A 160 -7.342 13.244 8.109 1.00 0.00 H new ATOM 0 HA ALA A 160 -9.435 13.915 8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 160 -10.679 15.480 7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 160 -9.119 16.147 7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 160 -9.294 15.512 5.910 1.00 0.00 H new ATOM 1794 N ARG A 161 -9.520 12.810 5.376 1.00 0.00 N ATOM 1795 CA ARG A 161 -10.157 11.872 4.461 1.00 0.00 C ATOM 1796 C ARG A 161 -10.051 10.438 4.998 1.00 0.00 C ATOM 1797 O ARG A 161 -10.892 9.587 4.707 1.00 0.00 O ATOM 1798 CB ARG A 161 -9.509 12.020 3.074 1.00 0.00 C ATOM 1799 CG ARG A 161 -10.268 11.356 1.928 1.00 0.00 C ATOM 1800 CD ARG A 161 -10.117 9.843 1.930 1.00 0.00 C ATOM 1801 NE ARG A 161 -11.059 9.189 1.027 1.00 0.00 N ATOM 1802 CZ ARG A 161 -11.939 8.265 1.412 1.00 0.00 C ATOM 1803 NH1 ARG A 161 -12.027 7.911 2.690 1.00 0.00 N1+ ATOM 1804 NH2 ARG A 161 -12.736 7.694 0.520 1.00 0.00 N ATOM 0 H ARG A 161 -8.749 13.335 4.963 1.00 0.00 H new ATOM 0 HA ARG A 161 -11.220 12.095 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -9.403 13.082 2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -8.504 11.601 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 161 -11.325 11.613 1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -9.907 11.753 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -9.099 9.582 1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 161 -10.267 9.467 2.942 1.00 0.00 H new ATOM 0 HE ARG A 161 -11.043 9.455 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -11.419 8.347 3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 161 -12.703 7.203 2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 161 -12.676 7.962 -0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 161 -13.409 6.987 0.816 1.00 0.00 H new ATOM 1818 N ALA A 162 -9.033 10.189 5.815 1.00 0.00 N ATOM 1819 CA ALA A 162 -8.826 8.876 6.417 1.00 0.00 C ATOM 1820 C ALA A 162 -9.919 8.548 7.434 1.00 0.00 C ATOM 1821 O ALA A 162 -10.024 7.415 7.902 1.00 0.00 O ATOM 1822 CB ALA A 162 -7.459 8.814 7.079 1.00 0.00 C ATOM 0 H ALA A 162 -8.334 10.884 6.077 1.00 0.00 H new ATOM 0 HA ALA A 162 -8.875 8.132 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 162 -7.315 7.830 7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 162 -6.685 8.991 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 162 -7.396 9.577 7.855 1.00 0.00 H new ATOM 1828 N LYS A 163 -10.718 9.547 7.783 1.00 0.00 N ATOM 1829 CA LYS A 163 -11.820 9.354 8.708 1.00 0.00 C ATOM 1830 C LYS A 163 -13.095 9.044 7.941 1.00 0.00 C ATOM 1831 O LYS A 163 -13.549 9.838 7.114 1.00 0.00 O ATOM 1832 CB LYS A 163 -12.014 10.583 9.603 1.00 0.00 C ATOM 1833 CG LYS A 163 -10.933 10.743 10.668 1.00 0.00 C ATOM 1834 CD LYS A 163 -9.615 11.215 10.072 1.00 0.00 C ATOM 1835 CE LYS A 163 -8.462 11.077 11.054 1.00 0.00 C ATOM 1836 NZ LYS A 163 -8.668 11.877 12.290 1.00 0.00 N1+ ATOM 0 H LYS A 163 -10.621 10.501 7.437 1.00 0.00 H new ATOM 0 HA LYS A 163 -11.581 8.509 9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 163 -12.032 11.477 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 163 -12.986 10.516 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 163 -11.268 11.457 11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 163 -10.781 9.791 11.177 1.00 0.00 H new ATOM 0 HD2 LYS A 163 -9.397 10.638 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 163 -9.708 12.257 9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 163 -8.340 10.027 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 163 -7.537 11.393 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 -7.819 11.817 12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 -8.842 12.870 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 -9.487 11.505 12.812 1.00 0.00 H new ATOM 1850 N GLY A 164 -13.654 7.880 8.215 1.00 0.00 N ATOM 1851 CA GLY A 164 -14.846 7.433 7.532 1.00 0.00 C ATOM 1852 C GLY A 164 -15.106 5.966 7.787 1.00 0.00 C ATOM 1853 O GLY A 164 -16.225 5.573 8.119 1.00 0.00 O ATOM 0 H GLY A 164 -13.296 7.226 8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -15.701 8.020 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -14.741 7.605 6.461 1.00 0.00 H new ATOM 1857 N HIS A 165 -14.062 5.160 7.648 1.00 0.00 N ATOM 1858 CA HIS A 165 -14.164 3.730 7.901 1.00 0.00 C ATOM 1859 C HIS A 165 -14.267 3.457 9.398 1.00 0.00 C ATOM 1860 O HIS A 165 -13.342 3.838 10.145 1.00 0.00 O ATOM 1861 CB HIS A 165 -12.989 2.956 7.266 1.00 0.00 C ATOM 1862 CG HIS A 165 -11.610 3.385 7.690 1.00 0.00 C ATOM 1863 ND1 HIS A 165 -10.821 4.235 6.940 1.00 0.00 N ATOM 1864 CD2 HIS A 165 -10.863 3.043 8.767 1.00 0.00 C ATOM 1865 CE1 HIS A 165 -9.655 4.392 7.537 1.00 0.00 C ATOM 1866 NE2 HIS A 165 -9.657 3.681 8.645 1.00 0.00 N ATOM 1867 OXT HIS A 165 -15.276 2.868 9.824 1.00 0.00 O ATOM 0 H HIS A 165 -13.134 5.473 7.361 1.00 0.00 H new ATOM 0 HA HIS A 165 -15.077 3.369 7.427 1.00 0.00 H new ATOM 0 HB2 HIS A 165 -13.107 1.898 7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 165 -13.060 3.051 6.183 1.00 0.00 H new ATOM 0 HD2 HIS A 165 -11.163 2.389 9.572 1.00 0.00 H new ATOM 0 HE1 HIS A 165 -8.838 5.000 7.178 1.00 0.00 H new ATOM 0 HE2 HIS A 165 -8.884 3.616 9.307 1.00 0.00 H new TER 1876 HIS A 165