USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 699 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 THR OG1 : rot 88:sc= 2.23 USER MOD Set 1.2: A 94 LYS NZ :NH3+ -157:sc= 2.32 (180deg=-0.106) USER MOD Set 2.1: A 83 CYS SG : rot -88:sc= -0.954 USER MOD Set 2.2: A 86 HIS : no HD1:sc=-0.00843 X(o=-0.96,f=-1.1) USER MOD Set 3.1: A 55 LYS NZ :NH3+ 142:sc= 2.93 (180deg=-0.859) USER MOD Set 3.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 58 HIS : no HE2:sc= 1.93 K(o=4.9,f=-11!) USER MOD Set 4.1: A 34 ASN : amide:sc= 0.925 K(o=1.8,f=0.64) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 162:sc= 0.848 (180deg=0.726) USER MOD Set 5.1: A 33 ASN : amide:sc= -7.05! C(o=-13!,f=-15!) USER MOD Set 5.2: A 37 SER OG : rot 180:sc= -0.0802 USER MOD Set 5.3: A 39 HIS : no HE2:sc= -5.4! C(o=-13!,f=-15!) USER MOD Set 6.1: A 7 MET CE :methyl -165:sc= -0.0217 (180deg=-0.276) USER MOD Set 6.2: A 81 TYR OH : rot 87:sc= 1.29 USER MOD Set 6.3: A 91 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set 7.1: A 2 ASN : amide:sc= 0.87 K(o=3.6,f=-6.7) USER MOD Set 7.2: A 4 THR OG1 : rot 180:sc= -0.488 USER MOD Set 7.3: A 30 LYS NZ :NH3+ -147:sc= 3.17 (180deg=1.18) USER MOD Single : A 1 ALA N :NH3+ 157:sc= 1.15 (180deg=0.639) USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= 0.298 (180deg=-0.453!) USER MOD Single : A 9 SER OG : rot 65:sc= 1.2 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -46:sc= 1.21 USER MOD Single : A 20 THR OG1 : rot 13:sc= 0.619 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 0.903 (180deg=-0.0978) USER MOD Single : A 40 ASN : amide:sc= 1.45 K(o=1.4,f=-5.1!) USER MOD Single : A 52 THR OG1 : rot -24:sc= 0.894 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.23) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -13:sc= 1.54 USER MOD Single : A 72 THR OG1 : rot 11:sc= 0.263 USER MOD Single : A 74 THR OG1 : rot -31:sc= 1.01 USER MOD Single : A 78 THR OG1 : rot 33:sc= 0.974 USER MOD Single : A 79 TYR OH : rot -6:sc= 0.337 USER MOD Single : A 82 TYR OH : rot -35:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.613 -0.991 -14.946 1.00 0.00 N ATOM 2 CA ALA A 1 3.962 -2.280 -15.576 1.00 0.00 C ATOM 3 C ALA A 1 4.339 -3.307 -14.499 1.00 0.00 C ATOM 4 O ALA A 1 5.511 -3.374 -14.149 1.00 0.00 O ATOM 5 CB ALA A 1 5.057 -2.097 -16.637 1.00 0.00 C ATOM 0 H1 ALA A 1 3.739 -0.222 -15.635 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.622 -1.015 -14.632 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.232 -0.826 -14.127 1.00 0.00 H new ATOM 0 HA ALA A 1 3.091 -2.670 -16.103 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.295 -3.062 -17.085 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.704 -1.415 -17.411 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.951 -1.684 -16.170 1.00 0.00 H new ATOM 13 N ASN A 2 3.371 -4.077 -13.960 1.00 0.00 N ATOM 14 CA ASN A 2 3.560 -5.071 -12.895 1.00 0.00 C ATOM 15 C ASN A 2 4.331 -4.471 -11.700 1.00 0.00 C ATOM 16 O ASN A 2 5.529 -4.707 -11.524 1.00 0.00 O ATOM 17 CB ASN A 2 4.268 -6.311 -13.487 1.00 0.00 C ATOM 18 CG ASN A 2 4.030 -7.515 -12.601 1.00 0.00 C ATOM 19 OD1 ASN A 2 4.777 -7.859 -11.691 1.00 0.00 O ATOM 20 ND2 ASN A 2 2.875 -8.096 -12.813 1.00 0.00 N ATOM 0 H ASN A 2 2.401 -4.017 -14.270 1.00 0.00 H new ATOM 0 HA ASN A 2 2.590 -5.379 -12.504 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.894 -6.509 -14.491 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.338 -6.121 -13.577 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.571 -8.861 -12.211 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.280 -7.783 -13.580 1.00 0.00 H new ATOM 27 N ALA A 3 3.652 -3.684 -10.856 1.00 0.00 N ATOM 28 CA ALA A 3 4.330 -3.047 -9.749 1.00 0.00 C ATOM 29 C ALA A 3 4.593 -3.952 -8.538 1.00 0.00 C ATOM 30 O ALA A 3 4.050 -5.052 -8.369 1.00 0.00 O ATOM 31 CB ALA A 3 3.590 -1.750 -9.398 1.00 0.00 C ATOM 0 H ALA A 3 2.654 -3.483 -10.925 1.00 0.00 H new ATOM 0 HA ALA A 3 5.342 -2.807 -10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.092 -1.259 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.589 -1.086 -10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.562 -1.982 -9.118 1.00 0.00 H new ATOM 37 N THR A 4 5.484 -3.425 -7.695 1.00 0.00 N ATOM 38 CA THR A 4 6.037 -3.969 -6.466 1.00 0.00 C ATOM 39 C THR A 4 6.356 -2.758 -5.591 1.00 0.00 C ATOM 40 O THR A 4 6.775 -1.725 -6.121 1.00 0.00 O ATOM 41 CB THR A 4 7.322 -4.761 -6.774 1.00 0.00 C ATOM 42 OG1 THR A 4 7.092 -5.710 -7.800 1.00 0.00 O ATOM 43 CG2 THR A 4 7.839 -5.519 -5.551 1.00 0.00 C ATOM 0 H THR A 4 5.875 -2.502 -7.885 1.00 0.00 H new ATOM 0 HA THR A 4 5.345 -4.651 -5.972 1.00 0.00 H new ATOM 0 HB THR A 4 8.065 -4.026 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.920 -6.202 -7.982 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.746 -6.062 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.060 -4.812 -4.752 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.080 -6.224 -5.212 1.00 0.00 H new ATOM 51 N VAL A 5 6.148 -2.865 -4.280 1.00 0.00 N ATOM 52 CA VAL A 5 6.439 -1.779 -3.350 1.00 0.00 C ATOM 53 C VAL A 5 6.832 -2.319 -1.976 1.00 0.00 C ATOM 54 O VAL A 5 6.464 -3.419 -1.561 1.00 0.00 O ATOM 55 CB VAL A 5 5.269 -0.741 -3.350 1.00 0.00 C ATOM 56 CG1 VAL A 5 3.953 -1.168 -4.040 1.00 0.00 C ATOM 57 CG2 VAL A 5 5.041 0.002 -2.026 1.00 0.00 C ATOM 0 H VAL A 5 5.775 -3.704 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 5 7.317 -1.227 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 5 5.681 0.004 -4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.226 -0.359 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.148 -1.390 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.556 -2.057 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.208 0.696 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.812 -0.717 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.941 0.556 -1.760 1.00 0.00 H new ATOM 67 N LYS A 6 7.624 -1.519 -1.262 1.00 0.00 N ATOM 68 CA LYS A 6 8.147 -1.886 0.059 1.00 0.00 C ATOM 69 C LYS A 6 7.637 -0.924 1.119 1.00 0.00 C ATOM 70 O LYS A 6 7.838 0.277 1.010 1.00 0.00 O ATOM 71 CB LYS A 6 9.688 -1.847 0.035 1.00 0.00 C ATOM 72 CG LYS A 6 10.364 -2.608 -1.121 1.00 0.00 C ATOM 73 CD LYS A 6 11.809 -2.150 -1.355 1.00 0.00 C ATOM 74 CE LYS A 6 12.724 -2.305 -0.137 1.00 0.00 C ATOM 75 NZ LYS A 6 13.738 -1.234 -0.117 1.00 0.00 N ATOM 0 H LYS A 6 7.923 -0.597 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 6 7.806 -2.893 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.005 -0.805 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.057 -2.254 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.355 -3.676 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.787 -2.463 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.228 -2.719 -2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.801 -1.103 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.132 -2.271 0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.214 -3.278 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.604 -1.584 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.955 -0.943 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.371 -0.419 0.414 1.00 0.00 H new ATOM 89 N MET A 7 6.940 -1.465 2.109 1.00 0.00 N ATOM 90 CA MET A 7 6.384 -0.783 3.275 1.00 0.00 C ATOM 91 C MET A 7 7.531 -0.680 4.294 1.00 0.00 C ATOM 92 O MET A 7 8.059 -1.716 4.719 1.00 0.00 O ATOM 93 CB MET A 7 5.236 -1.639 3.840 1.00 0.00 C ATOM 94 CG MET A 7 4.118 -2.013 2.865 1.00 0.00 C ATOM 95 SD MET A 7 3.082 -0.645 2.324 1.00 0.00 S ATOM 96 CE MET A 7 2.231 -0.230 3.871 1.00 0.00 C ATOM 0 H MET A 7 6.732 -2.464 2.121 1.00 0.00 H new ATOM 0 HA MET A 7 5.990 0.205 3.036 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.662 -2.559 4.240 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.792 -1.103 4.679 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.565 -2.479 1.987 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.484 -2.764 3.336 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.373 0.407 3.655 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.891 -1.145 4.356 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.917 0.298 4.533 1.00 0.00 H new ATOM 106 N GLY A 8 7.887 0.536 4.723 1.00 0.00 N ATOM 107 CA GLY A 8 8.998 0.755 5.657 1.00 0.00 C ATOM 108 C GLY A 8 10.274 0.888 4.829 1.00 0.00 C ATOM 109 O GLY A 8 10.850 -0.111 4.375 1.00 0.00 O ATOM 0 H GLY A 8 7.415 1.393 4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.830 1.655 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.080 -0.076 6.357 1.00 0.00 H new ATOM 113 N SER A 9 10.676 2.135 4.584 1.00 0.00 N ATOM 114 CA SER A 9 11.849 2.402 3.768 1.00 0.00 C ATOM 115 C SER A 9 13.110 1.813 4.393 1.00 0.00 C ATOM 116 O SER A 9 13.184 1.658 5.612 1.00 0.00 O ATOM 117 CB SER A 9 11.995 3.901 3.533 1.00 0.00 C ATOM 118 OG SER A 9 13.053 4.143 2.634 1.00 0.00 O ATOM 0 H SER A 9 10.207 2.968 4.939 1.00 0.00 H new ATOM 0 HA SER A 9 11.713 1.913 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.066 4.308 3.133 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.185 4.410 4.478 1.00 0.00 H new ATOM 0 HG SER A 9 12.829 3.768 1.757 1.00 0.00 H new ATOM 124 N ASP A 10 14.130 1.526 3.577 1.00 0.00 N ATOM 125 CA ASP A 10 15.426 0.996 4.023 1.00 0.00 C ATOM 126 C ASP A 10 16.116 1.868 5.093 1.00 0.00 C ATOM 127 O ASP A 10 16.946 1.356 5.840 1.00 0.00 O ATOM 128 CB ASP A 10 16.347 0.753 2.815 1.00 0.00 C ATOM 129 CG ASP A 10 15.820 -0.323 1.855 1.00 0.00 C ATOM 130 OD1 ASP A 10 15.024 -1.197 2.287 1.00 0.00 O ATOM 131 OD2 ASP A 10 16.170 -0.282 0.656 1.00 0.00 O ATOM 0 H ASP A 10 14.078 1.658 2.567 1.00 0.00 H new ATOM 0 HA ASP A 10 15.223 0.044 4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.472 1.688 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.334 0.459 3.173 1.00 0.00 H new ATOM 136 N SER A 11 15.742 3.153 5.208 1.00 0.00 N ATOM 137 CA SER A 11 16.270 4.102 6.212 1.00 0.00 C ATOM 138 C SER A 11 15.540 4.024 7.562 1.00 0.00 C ATOM 139 O SER A 11 15.891 4.725 8.513 1.00 0.00 O ATOM 140 CB SER A 11 16.154 5.540 5.689 1.00 0.00 C ATOM 141 OG SER A 11 16.877 5.719 4.489 1.00 0.00 O ATOM 0 H SER A 11 15.047 3.575 4.592 1.00 0.00 H new ATOM 0 HA SER A 11 17.311 3.821 6.374 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.105 5.783 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.525 6.233 6.444 1.00 0.00 H new ATOM 0 HG SER A 11 16.780 6.645 4.184 1.00 0.00 H new ATOM 147 N GLY A 12 14.504 3.177 7.640 1.00 0.00 N ATOM 148 CA GLY A 12 13.671 3.011 8.824 1.00 0.00 C ATOM 149 C GLY A 12 12.556 4.056 8.887 1.00 0.00 C ATOM 150 O GLY A 12 11.910 4.205 9.919 1.00 0.00 O ATOM 0 H GLY A 12 14.222 2.580 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.233 2.013 8.823 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.291 3.087 9.718 1.00 0.00 H new ATOM 154 N ALA A 13 12.337 4.777 7.782 1.00 0.00 N ATOM 155 CA ALA A 13 11.289 5.770 7.666 1.00 0.00 C ATOM 156 C ALA A 13 9.982 5.039 7.344 1.00 0.00 C ATOM 157 O ALA A 13 9.940 4.229 6.411 1.00 0.00 O ATOM 158 CB ALA A 13 11.661 6.771 6.565 1.00 0.00 C ATOM 0 H ALA A 13 12.897 4.678 6.936 1.00 0.00 H new ATOM 0 HA ALA A 13 11.166 6.328 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.875 7.521 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.601 7.260 6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.772 6.245 5.617 1.00 0.00 H new ATOM 164 N LEU A 14 8.930 5.322 8.116 1.00 0.00 N ATOM 165 CA LEU A 14 7.572 4.794 7.981 1.00 0.00 C ATOM 166 C LEU A 14 6.907 5.312 6.693 1.00 0.00 C ATOM 167 O LEU A 14 5.905 6.014 6.730 1.00 0.00 O ATOM 168 CB LEU A 14 6.758 5.154 9.249 1.00 0.00 C ATOM 169 CG LEU A 14 7.114 4.436 10.571 1.00 0.00 C ATOM 170 CD1 LEU A 14 6.995 2.916 10.424 1.00 0.00 C ATOM 171 CD2 LEU A 14 8.482 4.809 11.157 1.00 0.00 C ATOM 0 H LEU A 14 9.010 5.967 8.902 1.00 0.00 H new ATOM 0 HA LEU A 14 7.606 3.708 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.857 6.227 9.415 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.707 4.960 9.037 1.00 0.00 H new ATOM 0 HG LEU A 14 6.377 4.795 11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.251 2.438 11.369 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.972 2.656 10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.677 2.571 9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.644 4.257 12.083 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.265 4.557 10.442 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.510 5.879 11.363 1.00 0.00 H new ATOM 183 N VAL A 15 7.450 4.943 5.530 1.00 0.00 N ATOM 184 CA VAL A 15 6.923 5.303 4.210 1.00 0.00 C ATOM 185 C VAL A 15 7.052 4.106 3.269 1.00 0.00 C ATOM 186 O VAL A 15 7.879 3.214 3.498 1.00 0.00 O ATOM 187 CB VAL A 15 7.629 6.580 3.684 1.00 0.00 C ATOM 188 CG1 VAL A 15 9.131 6.389 3.432 1.00 0.00 C ATOM 189 CG2 VAL A 15 6.975 7.138 2.412 1.00 0.00 C ATOM 0 H VAL A 15 8.292 4.370 5.479 1.00 0.00 H new ATOM 0 HA VAL A 15 5.862 5.546 4.274 1.00 0.00 H new ATOM 0 HB VAL A 15 7.509 7.302 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.560 7.322 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.623 6.104 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.278 5.605 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.510 8.031 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.014 6.387 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.936 7.393 2.619 1.00 0.00 H new ATOM 199 N PHE A 16 6.202 4.062 2.239 1.00 0.00 N ATOM 200 CA PHE A 16 6.217 3.027 1.217 1.00 0.00 C ATOM 201 C PHE A 16 6.891 3.530 -0.062 1.00 0.00 C ATOM 202 O PHE A 16 6.698 4.668 -0.500 1.00 0.00 O ATOM 203 CB PHE A 16 4.808 2.439 1.075 1.00 0.00 C ATOM 204 CG PHE A 16 3.618 3.311 1.382 1.00 0.00 C ATOM 205 CD1 PHE A 16 2.967 4.006 0.362 1.00 0.00 C ATOM 206 CD2 PHE A 16 3.040 3.231 2.667 1.00 0.00 C ATOM 207 CE1 PHE A 16 1.765 4.666 0.639 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.784 3.807 2.920 1.00 0.00 C ATOM 209 CZ PHE A 16 1.163 4.546 1.901 1.00 0.00 C ATOM 0 H PHE A 16 5.473 4.761 2.095 1.00 0.00 H new ATOM 0 HA PHE A 16 6.845 2.184 1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.701 2.085 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.750 1.564 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.387 4.034 -0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.567 2.723 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.297 5.272 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.305 3.684 3.880 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.214 5.026 2.090 1.00 0.00 H new ATOM 219 N GLU A 17 7.732 2.657 -0.631 1.00 0.00 N ATOM 220 CA GLU A 17 8.549 2.906 -1.818 1.00 0.00 C ATOM 221 C GLU A 17 8.263 1.909 -2.945 1.00 0.00 C ATOM 222 O GLU A 17 8.594 0.733 -2.789 1.00 0.00 O ATOM 223 CB GLU A 17 10.044 2.970 -1.408 1.00 0.00 C ATOM 224 CG GLU A 17 10.636 1.740 -0.681 1.00 0.00 C ATOM 225 CD GLU A 17 11.899 1.975 0.177 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.275 3.148 0.418 1.00 0.00 O ATOM 227 OE2 GLU A 17 12.446 0.968 0.701 1.00 0.00 O ATOM 0 H GLU A 17 7.865 1.717 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 17 8.278 3.874 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.633 3.145 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.180 3.839 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.862 1.322 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.871 0.984 -1.430 1.00 0.00 H new ATOM 234 N PRO A 18 7.612 2.339 -4.052 1.00 0.00 N ATOM 235 CA PRO A 18 7.088 3.691 -4.299 1.00 0.00 C ATOM 236 C PRO A 18 5.758 4.054 -3.608 1.00 0.00 C ATOM 237 O PRO A 18 4.806 3.266 -3.573 1.00 0.00 O ATOM 238 CB PRO A 18 6.944 3.809 -5.808 1.00 0.00 C ATOM 239 CG PRO A 18 6.735 2.368 -6.268 1.00 0.00 C ATOM 240 CD PRO A 18 7.615 1.585 -5.300 1.00 0.00 C ATOM 0 HA PRO A 18 7.790 4.399 -3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.100 4.442 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.832 4.249 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.689 2.068 -6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.042 2.224 -7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.227 0.578 -5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.627 1.481 -5.690 1.00 0.00 H new ATOM 248 N SER A 19 5.700 5.317 -3.147 1.00 0.00 N ATOM 249 CA SER A 19 4.596 5.959 -2.405 1.00 0.00 C ATOM 250 C SER A 19 3.408 6.367 -3.287 1.00 0.00 C ATOM 251 O SER A 19 2.347 6.795 -2.824 1.00 0.00 O ATOM 252 CB SER A 19 5.063 7.249 -1.714 1.00 0.00 C ATOM 253 OG SER A 19 6.445 7.220 -1.451 1.00 0.00 O ATOM 0 H SER A 19 6.477 5.962 -3.293 1.00 0.00 H new ATOM 0 HA SER A 19 4.281 5.197 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.829 8.106 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.516 7.382 -0.780 1.00 0.00 H new ATOM 0 HG SER A 19 6.686 6.353 -1.063 1.00 0.00 H new ATOM 259 N THR A 20 3.646 6.398 -4.597 1.00 0.00 N ATOM 260 CA THR A 20 2.714 6.701 -5.684 1.00 0.00 C ATOM 261 C THR A 20 3.241 5.976 -6.906 1.00 0.00 C ATOM 262 O THR A 20 4.440 5.982 -7.187 1.00 0.00 O ATOM 263 CB THR A 20 2.536 8.206 -5.897 1.00 0.00 C ATOM 264 OG1 THR A 20 1.875 8.713 -4.758 1.00 0.00 O ATOM 265 CG2 THR A 20 1.677 8.577 -7.110 1.00 0.00 C ATOM 0 H THR A 20 4.578 6.194 -4.958 1.00 0.00 H new ATOM 0 HA THR A 20 1.707 6.356 -5.449 1.00 0.00 H new ATOM 0 HB THR A 20 3.529 8.622 -6.065 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.877 8.036 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.603 9.662 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.136 8.180 -8.016 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.680 8.153 -6.993 1.00 0.00 H new ATOM 273 N VAL A 21 2.327 5.296 -7.593 1.00 0.00 N ATOM 274 CA VAL A 21 2.637 4.480 -8.771 1.00 0.00 C ATOM 275 C VAL A 21 1.573 4.598 -9.866 1.00 0.00 C ATOM 276 O VAL A 21 0.497 5.145 -9.615 1.00 0.00 O ATOM 277 CB VAL A 21 2.931 3.038 -8.276 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.656 2.223 -8.014 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.889 2.263 -9.188 1.00 0.00 C ATOM 0 H VAL A 21 1.337 5.294 -7.347 1.00 0.00 H new ATOM 0 HA VAL A 21 3.529 4.847 -9.278 1.00 0.00 H new ATOM 0 HB VAL A 21 3.438 3.176 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.927 1.225 -7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.057 2.720 -7.250 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.078 2.146 -8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.050 1.264 -8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.457 2.184 -10.186 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.842 2.789 -9.246 1.00 0.00 H new ATOM 289 N THR A 22 1.901 4.106 -11.066 1.00 0.00 N ATOM 290 CA THR A 22 1.025 4.178 -12.232 1.00 0.00 C ATOM 291 C THR A 22 1.017 2.845 -13.005 1.00 0.00 C ATOM 292 O THR A 22 2.052 2.383 -13.498 1.00 0.00 O ATOM 293 CB THR A 22 1.413 5.426 -13.049 1.00 0.00 C ATOM 294 OG1 THR A 22 0.329 5.779 -13.864 1.00 0.00 O ATOM 295 CG2 THR A 22 2.674 5.308 -13.913 1.00 0.00 C ATOM 0 H THR A 22 2.791 3.643 -11.253 1.00 0.00 H new ATOM 0 HA THR A 22 -0.018 4.307 -11.945 1.00 0.00 H new ATOM 0 HB THR A 22 1.657 6.189 -12.310 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.560 6.573 -14.389 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.844 6.247 -14.439 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.532 5.088 -13.277 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.545 4.504 -14.638 1.00 0.00 H new ATOM 303 N ILE A 23 -0.149 2.191 -13.002 1.00 0.00 N ATOM 304 CA ILE A 23 -0.409 0.882 -13.628 1.00 0.00 C ATOM 305 C ILE A 23 -1.698 0.953 -14.466 1.00 0.00 C ATOM 306 O ILE A 23 -2.237 2.045 -14.612 1.00 0.00 O ATOM 307 CB ILE A 23 -0.466 -0.235 -12.553 1.00 0.00 C ATOM 308 CG1 ILE A 23 -1.599 -0.028 -11.517 1.00 0.00 C ATOM 309 CG2 ILE A 23 0.898 -0.387 -11.858 1.00 0.00 C ATOM 310 CD1 ILE A 23 -2.409 -1.310 -11.342 1.00 0.00 C ATOM 0 H ILE A 23 -0.977 2.573 -12.544 1.00 0.00 H new ATOM 0 HA ILE A 23 0.411 0.631 -14.301 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.702 -1.161 -13.078 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.173 0.273 -10.560 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.254 0.780 -11.843 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.838 -1.175 -11.107 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.656 -0.647 -12.597 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.168 0.553 -11.376 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.200 -1.144 -10.610 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.852 -1.594 -12.297 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.755 -2.109 -10.994 1.00 0.00 H new ATOM 322 N LYS A 24 -2.210 -0.163 -15.016 1.00 0.00 N ATOM 323 CA LYS A 24 -3.460 -0.143 -15.781 1.00 0.00 C ATOM 324 C LYS A 24 -4.569 -1.085 -15.332 1.00 0.00 C ATOM 325 O LYS A 24 -4.402 -1.930 -14.454 1.00 0.00 O ATOM 326 CB LYS A 24 -3.172 -0.282 -17.284 1.00 0.00 C ATOM 327 CG LYS A 24 -2.831 -1.653 -17.877 1.00 0.00 C ATOM 328 CD LYS A 24 -3.275 -1.730 -19.348 1.00 0.00 C ATOM 329 CE LYS A 24 -2.706 -0.612 -20.249 1.00 0.00 C ATOM 330 NZ LYS A 24 -3.567 0.602 -20.292 1.00 0.00 N ATOM 0 H LYS A 24 -1.776 -1.083 -14.943 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.883 0.837 -15.562 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.046 0.093 -17.817 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.344 0.387 -17.518 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.758 -1.830 -17.805 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.323 -2.437 -17.301 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.974 -2.695 -19.755 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.364 -1.693 -19.388 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.715 -0.334 -19.890 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.582 -0.998 -21.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.460 1.071 -21.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.561 0.328 -20.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.283 1.256 -19.535 1.00 0.00 H new ATOM 344 N ALA A 25 -5.727 -0.877 -15.964 1.00 0.00 N ATOM 345 CA ALA A 25 -6.980 -1.570 -15.750 1.00 0.00 C ATOM 346 C ALA A 25 -6.849 -3.074 -16.058 1.00 0.00 C ATOM 347 O ALA A 25 -7.156 -3.519 -17.163 1.00 0.00 O ATOM 348 CB ALA A 25 -8.049 -0.856 -16.588 1.00 0.00 C ATOM 0 H ALA A 25 -5.809 -0.165 -16.690 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.278 -1.532 -14.702 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.010 -1.352 -16.451 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.128 0.183 -16.268 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.769 -0.891 -17.641 1.00 0.00 H new ATOM 354 N GLY A 26 -6.373 -3.843 -15.067 1.00 0.00 N ATOM 355 CA GLY A 26 -6.111 -5.283 -15.117 1.00 0.00 C ATOM 356 C GLY A 26 -4.659 -5.652 -14.805 1.00 0.00 C ATOM 357 O GLY A 26 -4.205 -6.733 -15.172 1.00 0.00 O ATOM 0 H GLY A 26 -6.148 -3.448 -14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.766 -5.788 -14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.367 -5.656 -16.109 1.00 0.00 H new ATOM 361 N GLU A 27 -3.913 -4.743 -14.174 1.00 0.00 N ATOM 362 CA GLU A 27 -2.498 -4.897 -13.835 1.00 0.00 C ATOM 363 C GLU A 27 -2.287 -5.136 -12.325 1.00 0.00 C ATOM 364 O GLU A 27 -3.245 -5.100 -11.552 1.00 0.00 O ATOM 365 CB GLU A 27 -1.771 -3.669 -14.377 1.00 0.00 C ATOM 366 CG GLU A 27 -0.320 -3.924 -14.778 1.00 0.00 C ATOM 367 CD GLU A 27 0.338 -2.591 -15.112 1.00 0.00 C ATOM 368 OE1 GLU A 27 -0.207 -1.811 -15.916 1.00 0.00 O ATOM 369 OE2 GLU A 27 1.383 -2.287 -14.502 1.00 0.00 O ATOM 0 H GLU A 27 -4.293 -3.845 -13.874 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.079 -5.790 -14.298 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.314 -3.293 -15.244 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.794 -2.884 -13.621 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.215 -4.416 -13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.278 -4.592 -15.638 1.00 0.00 H new ATOM 376 N GLU A 28 -1.039 -5.350 -11.865 1.00 0.00 N ATOM 377 CA GLU A 28 -0.765 -5.644 -10.448 1.00 0.00 C ATOM 378 C GLU A 28 0.163 -4.652 -9.750 1.00 0.00 C ATOM 379 O GLU A 28 0.922 -3.912 -10.380 1.00 0.00 O ATOM 380 CB GLU A 28 -0.229 -7.087 -10.321 1.00 0.00 C ATOM 381 CG GLU A 28 1.277 -7.278 -10.164 1.00 0.00 C ATOM 382 CD GLU A 28 1.655 -8.767 -10.045 1.00 0.00 C ATOM 383 OE1 GLU A 28 1.538 -9.514 -11.042 1.00 0.00 O ATOM 384 OE2 GLU A 28 2.233 -9.097 -8.984 1.00 0.00 O ATOM 0 H GLU A 28 -0.207 -5.324 -12.454 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.716 -5.539 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.716 -7.550 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.546 -7.641 -11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.790 -6.840 -11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.621 -6.744 -9.278 1.00 0.00 H new ATOM 391 N VAL A 29 0.106 -4.693 -8.415 1.00 0.00 N ATOM 392 CA VAL A 29 0.889 -3.916 -7.476 1.00 0.00 C ATOM 393 C VAL A 29 1.080 -4.787 -6.208 1.00 0.00 C ATOM 394 O VAL A 29 0.131 -4.937 -5.426 1.00 0.00 O ATOM 395 CB VAL A 29 0.106 -2.645 -7.129 1.00 0.00 C ATOM 396 CG1 VAL A 29 0.941 -1.747 -6.204 1.00 0.00 C ATOM 397 CG2 VAL A 29 -0.381 -1.771 -8.300 1.00 0.00 C ATOM 0 H VAL A 29 -0.540 -5.321 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 29 1.858 -3.635 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.795 -3.039 -6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.376 -0.847 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.173 -2.286 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.868 -1.470 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.919 -0.907 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.476 -1.432 -8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.045 -2.354 -8.938 1.00 0.00 H new ATOM 407 N LYS A 30 2.272 -5.379 -5.994 1.00 0.00 N ATOM 408 CA LYS A 30 2.569 -6.269 -4.850 1.00 0.00 C ATOM 409 C LYS A 30 3.461 -5.612 -3.776 1.00 0.00 C ATOM 410 O LYS A 30 4.669 -5.456 -3.939 1.00 0.00 O ATOM 411 CB LYS A 30 3.120 -7.618 -5.370 1.00 0.00 C ATOM 412 CG LYS A 30 4.557 -7.627 -5.911 1.00 0.00 C ATOM 413 CD LYS A 30 4.875 -8.888 -6.733 1.00 0.00 C ATOM 414 CE LYS A 30 5.544 -8.548 -8.069 1.00 0.00 C ATOM 415 NZ LYS A 30 4.614 -7.807 -8.946 1.00 0.00 N ATOM 0 H LYS A 30 3.068 -5.251 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 30 1.635 -6.467 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.060 -8.343 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.459 -7.970 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.712 -6.745 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.255 -7.557 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.529 -9.542 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.955 -9.441 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.438 -7.951 -7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.866 -9.464 -8.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.801 -8.055 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.634 -8.059 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.752 -6.785 -8.813 1.00 0.00 H new ATOM 429 N TRP A 31 2.857 -5.215 -2.658 1.00 0.00 N ATOM 430 CA TRP A 31 3.495 -4.614 -1.494 1.00 0.00 C ATOM 431 C TRP A 31 3.738 -5.458 -0.257 1.00 0.00 C ATOM 432 O TRP A 31 2.848 -5.992 0.412 1.00 0.00 O ATOM 433 CB TRP A 31 2.832 -3.269 -1.196 1.00 0.00 C ATOM 434 CG TRP A 31 1.412 -2.943 -1.543 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.404 -3.701 -2.036 1.00 0.00 C ATOM 436 CD2 TRP A 31 1.039 -1.587 -1.849 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.489 -2.888 -2.715 1.00 0.00 N ATOM 438 CE2 TRP A 31 -0.131 -1.566 -2.645 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.711 -0.383 -1.631 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -0.632 -0.389 -3.210 1.00 0.00 C ATOM 441 CZ3 TRP A 31 1.282 0.784 -2.261 1.00 0.00 C ATOM 442 CH2 TRP A 31 0.104 0.794 -3.026 1.00 0.00 C ATOM 0 H TRP A 31 1.849 -5.311 -2.536 1.00 0.00 H new ATOM 0 HA TRP A 31 4.532 -4.484 -1.802 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.927 -3.114 -0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.446 -2.512 -1.683 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.311 -4.771 -1.918 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.313 -3.231 -3.208 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.566 -0.356 -0.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.555 -0.389 -3.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.861 1.690 -2.160 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.238 1.715 -3.475 1.00 0.00 H new ATOM 453 N VAL A 32 5.056 -5.498 -0.009 1.00 0.00 N ATOM 454 CA VAL A 32 5.783 -6.225 1.022 1.00 0.00 C ATOM 455 C VAL A 32 6.230 -5.333 2.164 1.00 0.00 C ATOM 456 O VAL A 32 6.506 -4.152 1.995 1.00 0.00 O ATOM 457 CB VAL A 32 7.012 -6.889 0.350 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.752 -7.897 1.252 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.688 -7.629 -0.965 1.00 0.00 C ATOM 0 H VAL A 32 5.699 -4.962 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 32 5.119 -6.969 1.461 1.00 0.00 H new ATOM 0 HB VAL A 32 7.650 -6.029 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.599 -8.317 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.111 -7.389 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.070 -8.698 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.601 -8.065 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.964 -8.420 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.270 -6.925 -1.685 1.00 0.00 H new ATOM 469 N ASN A 33 6.326 -5.979 3.316 1.00 0.00 N ATOM 470 CA ASN A 33 6.745 -5.571 4.647 1.00 0.00 C ATOM 471 C ASN A 33 8.280 -5.553 4.692 1.00 0.00 C ATOM 472 O ASN A 33 8.908 -6.611 4.596 1.00 0.00 O ATOM 473 CB ASN A 33 6.110 -6.636 5.538 1.00 0.00 C ATOM 474 CG ASN A 33 6.412 -6.617 7.004 1.00 0.00 C ATOM 475 OD1 ASN A 33 7.531 -6.415 7.431 1.00 0.00 O ATOM 476 ND2 ASN A 33 5.423 -6.888 7.822 1.00 0.00 N ATOM 0 H ASN A 33 6.068 -6.965 3.337 1.00 0.00 H new ATOM 0 HA ASN A 33 6.440 -4.572 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.029 -6.563 5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.407 -7.611 5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.590 -6.931 8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.487 -7.056 7.453 1.00 0.00 H new ATOM 483 N ASN A 34 8.895 -4.380 4.851 1.00 0.00 N ATOM 484 CA ASN A 34 10.351 -4.244 4.860 1.00 0.00 C ATOM 485 C ASN A 34 10.901 -3.495 6.082 1.00 0.00 C ATOM 486 O ASN A 34 12.071 -3.748 6.404 1.00 0.00 O ATOM 487 CB ASN A 34 10.777 -3.661 3.504 1.00 0.00 C ATOM 488 CG ASN A 34 12.275 -3.419 3.361 1.00 0.00 C ATOM 489 OD1 ASN A 34 13.115 -4.306 3.316 1.00 0.00 O ATOM 490 ND2 ASN A 34 12.658 -2.159 3.252 1.00 0.00 N ATOM 0 H ASN A 34 8.397 -3.499 4.977 1.00 0.00 H new ATOM 0 HA ASN A 34 10.808 -5.227 4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.455 -4.339 2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.253 -2.718 3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.646 -1.935 3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.966 -1.411 3.288 1.00 0.00 H new ATOM 497 N LYS A 35 10.164 -2.572 6.743 1.00 0.00 N ATOM 498 CA LYS A 35 10.775 -1.960 7.943 1.00 0.00 C ATOM 499 C LYS A 35 9.874 -1.433 9.058 1.00 0.00 C ATOM 500 O LYS A 35 8.680 -1.186 8.923 1.00 0.00 O ATOM 501 CB LYS A 35 11.837 -0.896 7.531 1.00 0.00 C ATOM 502 CG LYS A 35 13.125 -1.070 8.381 1.00 0.00 C ATOM 503 CD LYS A 35 14.459 -0.662 7.728 1.00 0.00 C ATOM 504 CE LYS A 35 15.131 -1.728 6.843 1.00 0.00 C ATOM 505 NZ LYS A 35 14.261 -2.209 5.744 1.00 0.00 N ATOM 0 H LYS A 35 9.227 -2.256 6.495 1.00 0.00 H new ATOM 0 HA LYS A 35 11.228 -2.824 8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.074 -0.999 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.432 0.106 7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.006 -0.491 9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.198 -2.118 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.287 0.228 7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.156 -0.381 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.046 -1.314 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.422 -2.575 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.843 -2.676 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.568 -2.886 6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.761 -1.402 5.319 1.00 0.00 H new ATOM 519 N LEU A 36 10.528 -1.332 10.222 1.00 0.00 N ATOM 520 CA LEU A 36 10.095 -0.939 11.557 1.00 0.00 C ATOM 521 C LEU A 36 9.269 -2.025 12.223 1.00 0.00 C ATOM 522 O LEU A 36 9.688 -2.766 13.104 1.00 0.00 O ATOM 523 CB LEU A 36 9.455 0.476 11.496 1.00 0.00 C ATOM 524 CG LEU A 36 9.606 1.317 12.782 1.00 0.00 C ATOM 525 CD1 LEU A 36 8.778 0.771 13.940 1.00 0.00 C ATOM 526 CD2 LEU A 36 11.058 1.514 13.234 1.00 0.00 C ATOM 0 H LEU A 36 11.522 -1.560 10.243 1.00 0.00 H new ATOM 0 HA LEU A 36 10.949 -0.842 12.227 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.901 1.025 10.667 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.394 0.369 11.273 1.00 0.00 H new ATOM 0 HG LEU A 36 9.219 2.297 12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.922 1.400 14.818 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.724 0.769 13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.096 -0.247 14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.078 2.115 14.143 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.513 0.543 13.431 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.617 2.024 12.450 1.00 0.00 H new ATOM 538 N SER A 37 8.166 -2.147 11.561 1.00 0.00 N ATOM 539 CA SER A 37 7.005 -3.046 11.699 1.00 0.00 C ATOM 540 C SER A 37 6.235 -2.779 13.005 1.00 0.00 C ATOM 541 O SER A 37 6.830 -2.425 14.024 1.00 0.00 O ATOM 542 CB SER A 37 7.469 -4.515 11.715 1.00 0.00 C ATOM 543 OG SER A 37 8.464 -4.765 10.745 1.00 0.00 O ATOM 0 H SER A 37 8.009 -1.522 10.771 1.00 0.00 H new ATOM 0 HA SER A 37 6.351 -2.856 10.848 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.856 -4.762 12.704 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.615 -5.167 11.535 1.00 0.00 H new ATOM 0 HG SER A 37 8.733 -5.706 10.788 1.00 0.00 H new ATOM 549 N PRO A 38 4.905 -2.975 13.008 1.00 0.00 N ATOM 550 CA PRO A 38 4.060 -3.381 11.883 1.00 0.00 C ATOM 551 C PRO A 38 3.834 -2.232 10.874 1.00 0.00 C ATOM 552 O PRO A 38 4.357 -1.128 11.005 1.00 0.00 O ATOM 553 CB PRO A 38 2.763 -3.852 12.545 1.00 0.00 C ATOM 554 CG PRO A 38 2.629 -2.905 13.735 1.00 0.00 C ATOM 555 CD PRO A 38 4.081 -2.749 14.189 1.00 0.00 C ATOM 0 HA PRO A 38 4.518 -4.165 11.280 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.912 -3.775 11.868 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.825 -4.893 12.861 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.187 -1.951 13.448 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.000 -3.324 14.520 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.255 -1.755 14.600 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.322 -3.465 14.974 1.00 0.00 H new ATOM 563 N HIS A 39 3.083 -2.595 9.836 1.00 0.00 N ATOM 564 CA HIS A 39 2.548 -1.918 8.659 1.00 0.00 C ATOM 565 C HIS A 39 1.168 -2.432 8.229 1.00 0.00 C ATOM 566 O HIS A 39 0.744 -3.507 8.649 1.00 0.00 O ATOM 567 CB HIS A 39 3.630 -1.892 7.533 1.00 0.00 C ATOM 568 CG HIS A 39 4.714 -2.956 7.408 1.00 0.00 C ATOM 569 ND1 HIS A 39 4.982 -3.947 8.316 1.00 0.00 N ATOM 570 CD2 HIS A 39 5.951 -2.644 6.889 1.00 0.00 C ATOM 571 CE1 HIS A 39 6.307 -4.108 8.421 1.00 0.00 C ATOM 572 NE2 HIS A 39 6.938 -3.395 7.496 1.00 0.00 N ATOM 0 H HIS A 39 2.780 -3.568 9.803 1.00 0.00 H new ATOM 0 HA HIS A 39 2.336 -0.880 8.917 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.092 -1.884 6.585 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.143 -0.934 7.617 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.281 -4.479 8.832 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.125 -1.912 6.114 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.795 -4.731 9.156 1.00 0.00 H new ATOM 580 N ASN A 40 0.438 -1.622 7.444 1.00 0.00 N ATOM 581 CA ASN A 40 -0.926 -1.893 6.966 1.00 0.00 C ATOM 582 C ASN A 40 -1.186 -1.247 5.593 1.00 0.00 C ATOM 583 O ASN A 40 -0.552 -0.249 5.259 1.00 0.00 O ATOM 584 CB ASN A 40 -1.832 -1.336 8.096 1.00 0.00 C ATOM 585 CG ASN A 40 -3.298 -1.085 7.798 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.763 0.047 7.815 1.00 0.00 O ATOM 587 ND2 ASN A 40 -4.100 -2.098 7.585 1.00 0.00 N ATOM 0 H ASN A 40 0.797 -0.726 7.113 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.118 -2.951 6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.779 -2.031 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.398 -0.395 8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.096 -1.937 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.728 -3.048 7.568 1.00 0.00 H new ATOM 594 N ILE A 41 -2.124 -1.792 4.804 1.00 0.00 N ATOM 595 CA ILE A 41 -2.506 -1.268 3.493 1.00 0.00 C ATOM 596 C ILE A 41 -4.021 -1.001 3.440 1.00 0.00 C ATOM 597 O ILE A 41 -4.803 -1.882 3.101 1.00 0.00 O ATOM 598 CB ILE A 41 -2.032 -2.184 2.324 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.490 -2.218 2.144 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.666 -1.575 1.036 1.00 0.00 C ATOM 601 CD1 ILE A 41 0.214 -3.276 3.004 1.00 0.00 C ATOM 0 H ILE A 41 -2.647 -2.627 5.069 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.990 -0.318 3.355 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.335 -3.211 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.261 -2.406 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.084 -1.236 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.374 -2.170 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.752 -1.578 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.315 -0.551 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.288 -3.237 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.017 -3.078 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.162 -4.265 2.744 1.00 0.00 H new ATOM 613 N VAL A 42 -4.474 0.235 3.694 1.00 0.00 N ATOM 614 CA VAL A 42 -5.901 0.609 3.626 1.00 0.00 C ATOM 615 C VAL A 42 -6.216 1.713 2.615 1.00 0.00 C ATOM 616 O VAL A 42 -5.717 2.829 2.745 1.00 0.00 O ATOM 617 CB VAL A 42 -6.458 1.009 4.995 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.629 -0.248 5.834 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.658 2.035 5.793 1.00 0.00 C ATOM 0 H VAL A 42 -3.862 1.009 3.954 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.394 -0.299 3.279 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.399 1.513 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.025 0.019 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.321 -0.927 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.663 -0.739 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.160 2.230 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.658 1.647 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.585 2.962 5.224 1.00 0.00 H new ATOM 629 N PHE A 43 -7.018 1.410 1.586 1.00 0.00 N ATOM 630 CA PHE A 43 -7.447 2.370 0.579 1.00 0.00 C ATOM 631 C PHE A 43 -8.586 3.232 1.132 1.00 0.00 C ATOM 632 O PHE A 43 -9.526 2.723 1.758 1.00 0.00 O ATOM 633 CB PHE A 43 -7.882 1.670 -0.711 1.00 0.00 C ATOM 634 CG PHE A 43 -6.721 1.346 -1.620 1.00 0.00 C ATOM 635 CD1 PHE A 43 -5.987 0.158 -1.457 1.00 0.00 C ATOM 636 CD2 PHE A 43 -6.365 2.259 -2.627 1.00 0.00 C ATOM 637 CE1 PHE A 43 -4.917 -0.134 -2.315 1.00 0.00 C ATOM 638 CE2 PHE A 43 -5.300 1.967 -3.491 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.573 0.774 -3.324 1.00 0.00 C ATOM 0 H PHE A 43 -7.390 0.472 1.434 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.599 3.011 0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.409 0.749 -0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.588 2.306 -1.244 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.248 -0.532 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.911 3.184 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.362 -1.053 -2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.039 2.655 -4.281 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.743 0.557 -3.980 1.00 0.00 H new ATOM 649 N ALA A 44 -8.472 4.540 0.908 1.00 0.00 N ATOM 650 CA ALA A 44 -9.414 5.554 1.379 1.00 0.00 C ATOM 651 C ALA A 44 -10.803 5.499 0.724 1.00 0.00 C ATOM 652 O ALA A 44 -11.715 6.157 1.229 1.00 0.00 O ATOM 653 CB ALA A 44 -8.793 6.932 1.116 1.00 0.00 C ATOM 0 H ALA A 44 -7.697 4.936 0.377 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.581 5.360 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.475 7.710 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.849 7.015 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.613 7.052 0.048 1.00 0.00 H new ATOM 659 N ALA A 45 -10.966 4.716 -0.357 1.00 0.00 N ATOM 660 CA ALA A 45 -12.191 4.580 -1.134 1.00 0.00 C ATOM 661 C ALA A 45 -12.540 5.928 -1.784 1.00 0.00 C ATOM 662 O ALA A 45 -13.497 6.598 -1.399 1.00 0.00 O ATOM 663 CB ALA A 45 -13.324 3.997 -0.273 1.00 0.00 C ATOM 0 H ALA A 45 -10.208 4.139 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.042 3.866 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.228 3.905 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.032 3.014 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.516 4.659 0.572 1.00 0.00 H new ATOM 669 N ASP A 46 -11.749 6.340 -2.788 1.00 0.00 N ATOM 670 CA ASP A 46 -11.962 7.576 -3.554 1.00 0.00 C ATOM 671 C ASP A 46 -13.282 7.474 -4.373 1.00 0.00 C ATOM 672 O ASP A 46 -13.738 8.461 -4.949 1.00 0.00 O ATOM 673 CB ASP A 46 -10.736 7.866 -4.463 1.00 0.00 C ATOM 674 CG ASP A 46 -9.475 8.442 -3.770 1.00 0.00 C ATOM 675 OD1 ASP A 46 -8.854 7.759 -2.917 1.00 0.00 O ATOM 676 OD2 ASP A 46 -9.006 9.536 -4.171 1.00 0.00 O ATOM 0 H ASP A 46 -10.930 5.814 -3.094 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.063 8.415 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.456 6.938 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.046 8.565 -5.240 1.00 0.00 H new ATOM 681 N GLY A 47 -13.909 6.283 -4.409 1.00 0.00 N ATOM 682 CA GLY A 47 -15.184 5.957 -5.076 1.00 0.00 C ATOM 683 C GLY A 47 -15.032 5.374 -6.470 1.00 0.00 C ATOM 684 O GLY A 47 -15.991 4.875 -7.056 1.00 0.00 O ATOM 0 H GLY A 47 -13.512 5.468 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.733 5.248 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.789 6.861 -5.138 1.00 0.00 H new ATOM 688 N VAL A 48 -13.801 5.414 -6.970 1.00 0.00 N ATOM 689 CA VAL A 48 -13.399 4.879 -8.265 1.00 0.00 C ATOM 690 C VAL A 48 -12.780 3.477 -8.157 1.00 0.00 C ATOM 691 O VAL A 48 -12.638 2.790 -9.169 1.00 0.00 O ATOM 692 CB VAL A 48 -12.400 5.841 -8.940 1.00 0.00 C ATOM 693 CG1 VAL A 48 -12.952 7.274 -9.040 1.00 0.00 C ATOM 694 CG2 VAL A 48 -11.052 5.881 -8.199 1.00 0.00 C ATOM 0 H VAL A 48 -13.025 5.838 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.300 4.788 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.247 5.449 -9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.214 7.915 -9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.869 7.270 -9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.164 7.653 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.378 6.570 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.210 6.217 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.612 4.884 -8.190 1.00 0.00 H new ATOM 704 N ASP A 49 -12.459 3.085 -6.912 1.00 0.00 N ATOM 705 CA ASP A 49 -11.822 1.854 -6.446 1.00 0.00 C ATOM 706 C ASP A 49 -12.675 0.941 -5.559 1.00 0.00 C ATOM 707 O ASP A 49 -13.486 1.407 -4.758 1.00 0.00 O ATOM 708 CB ASP A 49 -10.547 2.237 -5.691 1.00 0.00 C ATOM 709 CG ASP A 49 -10.691 3.135 -4.444 1.00 0.00 C ATOM 710 OD1 ASP A 49 -11.320 4.215 -4.565 1.00 0.00 O ATOM 711 OD2 ASP A 49 -10.083 2.793 -3.400 1.00 0.00 O ATOM 0 H ASP A 49 -12.666 3.697 -6.123 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.633 1.264 -7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.050 1.317 -5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.882 2.741 -6.392 1.00 0.00 H new ATOM 716 N ALA A 50 -12.475 -0.379 -5.713 1.00 0.00 N ATOM 717 CA ALA A 50 -13.138 -1.428 -4.941 1.00 0.00 C ATOM 718 C ALA A 50 -12.307 -1.668 -3.683 1.00 0.00 C ATOM 719 O ALA A 50 -11.713 -2.725 -3.462 1.00 0.00 O ATOM 720 CB ALA A 50 -13.315 -2.677 -5.813 1.00 0.00 C ATOM 0 H ALA A 50 -11.824 -0.751 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.142 -1.139 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.810 -3.457 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.923 -2.430 -6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.338 -3.033 -6.142 1.00 0.00 H new ATOM 726 N ASP A 51 -12.313 -0.659 -2.815 1.00 0.00 N ATOM 727 CA ASP A 51 -11.562 -0.617 -1.567 1.00 0.00 C ATOM 728 C ASP A 51 -11.634 -1.923 -0.750 1.00 0.00 C ATOM 729 O ASP A 51 -10.600 -2.533 -0.468 1.00 0.00 O ATOM 730 CB ASP A 51 -11.979 0.629 -0.759 1.00 0.00 C ATOM 731 CG ASP A 51 -13.339 0.485 -0.062 1.00 0.00 C ATOM 732 OD1 ASP A 51 -14.250 -0.102 -0.682 1.00 0.00 O ATOM 733 OD2 ASP A 51 -13.431 0.850 1.133 1.00 0.00 O ATOM 0 H ASP A 51 -12.864 0.185 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.505 -0.531 -1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.216 0.837 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.012 1.490 -1.427 1.00 0.00 H new ATOM 738 N THR A 52 -12.853 -2.397 -0.449 1.00 0.00 N ATOM 739 CA THR A 52 -13.161 -3.596 0.352 1.00 0.00 C ATOM 740 C THR A 52 -12.674 -4.910 -0.269 1.00 0.00 C ATOM 741 O THR A 52 -12.814 -5.962 0.354 1.00 0.00 O ATOM 742 CB THR A 52 -14.673 -3.677 0.655 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.932 -4.774 1.506 1.00 0.00 O ATOM 744 CG2 THR A 52 -15.548 -3.848 -0.591 1.00 0.00 C ATOM 0 H THR A 52 -13.699 -1.929 -0.775 1.00 0.00 H new ATOM 0 HA THR A 52 -12.602 -3.477 1.280 1.00 0.00 H new ATOM 0 HB THR A 52 -14.929 -2.724 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.219 -5.440 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.596 -3.897 -0.296 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.398 -3.000 -1.260 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.273 -4.769 -1.105 1.00 0.00 H new ATOM 752 N ALA A 53 -12.145 -4.861 -1.489 1.00 0.00 N ATOM 753 CA ALA A 53 -11.587 -5.995 -2.208 1.00 0.00 C ATOM 754 C ALA A 53 -10.128 -5.711 -2.614 1.00 0.00 C ATOM 755 O ALA A 53 -9.476 -6.605 -3.149 1.00 0.00 O ATOM 756 CB ALA A 53 -12.481 -6.286 -3.421 1.00 0.00 C ATOM 0 H ALA A 53 -12.093 -3.993 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.565 -6.878 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.079 -7.135 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.490 -6.520 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.510 -5.411 -4.070 1.00 0.00 H new ATOM 762 N ALA A 54 -9.602 -4.506 -2.338 1.00 0.00 N ATOM 763 CA ALA A 54 -8.259 -4.068 -2.702 1.00 0.00 C ATOM 764 C ALA A 54 -7.371 -3.630 -1.530 1.00 0.00 C ATOM 765 O ALA A 54 -6.229 -3.250 -1.766 1.00 0.00 O ATOM 766 CB ALA A 54 -8.409 -2.947 -3.737 1.00 0.00 C ATOM 0 H ALA A 54 -10.126 -3.789 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.730 -4.930 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.422 -2.592 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.937 -3.327 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.975 -2.123 -3.302 1.00 0.00 H new ATOM 772 N LYS A 55 -7.821 -3.722 -0.269 1.00 0.00 N ATOM 773 CA LYS A 55 -7.057 -3.287 0.906 1.00 0.00 C ATOM 774 C LYS A 55 -7.143 -4.301 2.059 1.00 0.00 C ATOM 775 O LYS A 55 -8.056 -5.123 2.111 1.00 0.00 O ATOM 776 CB LYS A 55 -7.606 -1.891 1.232 1.00 0.00 C ATOM 777 CG LYS A 55 -8.832 -1.879 2.171 1.00 0.00 C ATOM 778 CD LYS A 55 -9.486 -0.495 2.257 1.00 0.00 C ATOM 779 CE LYS A 55 -10.940 -0.550 2.722 1.00 0.00 C ATOM 780 NZ LYS A 55 -11.469 0.820 2.914 1.00 0.00 N ATOM 0 H LYS A 55 -8.737 -4.106 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.984 -3.234 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.811 -1.301 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.876 -1.395 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.565 -2.603 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.526 -2.196 3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.914 0.129 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.441 -0.016 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.544 -1.081 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.010 -1.109 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.459 0.857 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.417 1.074 3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.903 1.492 2.358 1.00 0.00 H new ATOM 794 N LEU A 56 -6.202 -4.206 3.004 1.00 0.00 N ATOM 795 CA LEU A 56 -6.079 -5.097 4.164 1.00 0.00 C ATOM 796 C LEU A 56 -7.222 -4.919 5.176 1.00 0.00 C ATOM 797 O LEU A 56 -7.567 -5.837 5.910 1.00 0.00 O ATOM 798 CB LEU A 56 -4.710 -4.845 4.833 1.00 0.00 C ATOM 799 CG LEU A 56 -3.540 -5.699 4.299 1.00 0.00 C ATOM 800 CD1 LEU A 56 -2.250 -5.443 5.101 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.832 -7.199 4.405 1.00 0.00 C ATOM 0 H LEU A 56 -5.482 -3.484 2.983 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.148 -6.127 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.454 -3.793 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.810 -5.026 5.903 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.416 -5.409 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.445 -6.059 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.976 -4.391 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.416 -5.698 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.983 -7.763 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.999 -7.464 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.722 -7.438 3.823 1.00 0.00 H new ATOM 813 N SER A 57 -7.836 -3.741 5.165 1.00 0.00 N ATOM 814 CA SER A 57 -8.964 -3.290 5.962 1.00 0.00 C ATOM 815 C SER A 57 -8.804 -3.124 7.464 1.00 0.00 C ATOM 816 O SER A 57 -8.854 -4.090 8.220 1.00 0.00 O ATOM 817 CB SER A 57 -10.218 -4.117 5.642 1.00 0.00 C ATOM 818 OG SER A 57 -11.337 -3.342 6.038 1.00 0.00 O ATOM 0 H SER A 57 -7.521 -3.006 4.532 1.00 0.00 H new ATOM 0 HA SER A 57 -9.055 -2.253 5.638 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.266 -4.349 4.578 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.199 -5.068 6.175 1.00 0.00 H new ATOM 0 HG SER A 57 -12.161 -3.837 5.848 1.00 0.00 H new ATOM 824 N HIS A 58 -8.589 -1.837 7.809 1.00 0.00 N ATOM 825 CA HIS A 58 -8.401 -0.986 9.003 1.00 0.00 C ATOM 826 C HIS A 58 -7.868 -1.631 10.285 1.00 0.00 C ATOM 827 O HIS A 58 -7.757 -1.016 11.350 1.00 0.00 O ATOM 828 CB HIS A 58 -9.712 -0.193 9.174 1.00 0.00 C ATOM 829 CG HIS A 58 -10.064 0.546 7.893 1.00 0.00 C ATOM 830 ND1 HIS A 58 -9.476 1.711 7.450 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.860 0.082 6.875 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.901 1.937 6.194 1.00 0.00 C ATOM 833 NE2 HIS A 58 -10.734 0.960 5.790 1.00 0.00 N ATOM 0 H HIS A 58 -8.528 -1.200 7.015 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.549 -0.333 8.813 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.521 -0.872 9.442 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.608 0.518 9.993 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -8.832 2.298 7.981 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.476 -0.805 6.905 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.613 2.786 5.592 1.00 0.00 H new ATOM 841 N LYS A 59 -7.525 -2.895 10.139 1.00 0.00 N ATOM 842 CA LYS A 59 -6.956 -3.831 11.051 1.00 0.00 C ATOM 843 C LYS A 59 -6.187 -4.919 10.287 1.00 0.00 C ATOM 844 O LYS A 59 -5.474 -5.627 10.990 1.00 0.00 O ATOM 845 CB LYS A 59 -8.050 -4.402 11.977 1.00 0.00 C ATOM 846 CG LYS A 59 -7.553 -4.805 13.379 1.00 0.00 C ATOM 847 CD LYS A 59 -7.477 -3.651 14.397 1.00 0.00 C ATOM 848 CE LYS A 59 -6.272 -2.709 14.225 1.00 0.00 C ATOM 849 NZ LYS A 59 -6.679 -1.318 13.892 1.00 0.00 N ATOM 0 H LYS A 59 -7.668 -3.342 9.233 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.231 -3.328 11.691 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.841 -3.660 12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.495 -5.274 11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.214 -5.576 13.775 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.563 -5.251 13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.392 -3.063 14.325 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.448 -4.074 15.401 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.686 -2.702 15.144 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.624 -3.093 13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.832 -0.740 13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.272 -1.325 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.218 -0.915 14.685 1.00 0.00 H new ATOM 863 N GLY A 60 -6.275 -5.108 8.934 1.00 0.00 N ATOM 864 CA GLY A 60 -5.408 -6.173 8.349 1.00 0.00 C ATOM 865 C GLY A 60 -3.960 -5.737 8.604 1.00 0.00 C ATOM 866 O GLY A 60 -3.686 -4.541 8.518 1.00 0.00 O ATOM 0 H GLY A 60 -6.873 -4.594 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.611 -7.138 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.598 -6.286 7.282 1.00 0.00 H new ATOM 870 N LEU A 61 -3.006 -6.653 8.789 1.00 0.00 N ATOM 871 CA LEU A 61 -1.635 -6.272 9.119 1.00 0.00 C ATOM 872 C LEU A 61 -0.449 -7.029 8.496 1.00 0.00 C ATOM 873 O LEU A 61 -0.530 -8.206 8.142 1.00 0.00 O ATOM 874 CB LEU A 61 -1.615 -6.377 10.657 1.00 0.00 C ATOM 875 CG LEU A 61 -0.568 -5.538 11.374 1.00 0.00 C ATOM 876 CD1 LEU A 61 -1.009 -4.076 11.416 1.00 0.00 C ATOM 877 CD2 LEU A 61 -0.396 -6.039 12.811 1.00 0.00 C ATOM 0 H LEU A 61 -3.159 -7.659 8.716 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.450 -5.291 8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.598 -6.093 11.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.461 -7.422 10.927 1.00 0.00 H new ATOM 0 HG LEU A 61 0.375 -5.624 10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.253 -3.483 11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.132 -3.704 10.399 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.957 -3.997 11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.355 -5.435 13.320 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.346 -5.959 13.340 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.075 -7.081 12.797 1.00 0.00 H new ATOM 889 N ALA A 62 0.688 -6.310 8.475 1.00 0.00 N ATOM 890 CA ALA A 62 1.997 -6.712 8.033 1.00 0.00 C ATOM 891 C ALA A 62 2.818 -6.510 9.318 1.00 0.00 C ATOM 892 O ALA A 62 3.137 -5.375 9.664 1.00 0.00 O ATOM 893 CB ALA A 62 2.365 -5.851 6.814 1.00 0.00 C ATOM 0 H ALA A 62 0.692 -5.344 8.802 1.00 0.00 H new ATOM 0 HA ALA A 62 2.140 -7.729 7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.355 -6.133 6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.633 -6.010 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.369 -4.799 7.099 1.00 0.00 H new ATOM 899 N PHE A 63 3.123 -7.574 10.070 1.00 0.00 N ATOM 900 CA PHE A 63 3.858 -7.476 11.341 1.00 0.00 C ATOM 901 C PHE A 63 5.271 -8.067 11.346 1.00 0.00 C ATOM 902 O PHE A 63 6.069 -7.654 12.183 1.00 0.00 O ATOM 903 CB PHE A 63 3.002 -8.038 12.487 1.00 0.00 C ATOM 904 CG PHE A 63 3.154 -9.525 12.748 1.00 0.00 C ATOM 905 CD1 PHE A 63 2.499 -10.464 11.928 1.00 0.00 C ATOM 906 CD2 PHE A 63 3.977 -9.973 13.799 1.00 0.00 C ATOM 907 CE1 PHE A 63 2.689 -11.840 12.143 1.00 0.00 C ATOM 908 CE2 PHE A 63 4.165 -11.349 14.015 1.00 0.00 C ATOM 909 CZ PHE A 63 3.525 -12.283 13.181 1.00 0.00 C ATOM 0 H PHE A 63 2.868 -8.528 9.816 1.00 0.00 H new ATOM 0 HA PHE A 63 4.032 -6.410 11.491 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.251 -7.499 13.401 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.954 -7.830 12.270 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.850 -10.127 11.133 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.466 -9.256 14.442 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.191 -12.558 11.509 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.800 -11.688 14.820 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.676 -13.341 13.339 1.00 0.00 H new ATOM 919 N ALA A 64 5.617 -8.950 10.406 1.00 0.00 N ATOM 920 CA ALA A 64 6.936 -9.579 10.324 1.00 0.00 C ATOM 921 C ALA A 64 7.620 -9.293 8.977 1.00 0.00 C ATOM 922 O ALA A 64 7.000 -9.442 7.927 1.00 0.00 O ATOM 923 CB ALA A 64 6.772 -11.082 10.576 1.00 0.00 C ATOM 0 H ALA A 64 4.979 -9.252 9.670 1.00 0.00 H new ATOM 0 HA ALA A 64 7.590 -9.155 11.086 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.746 -11.569 10.519 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.345 -11.240 11.566 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.109 -11.507 9.822 1.00 0.00 H new ATOM 929 N ALA A 65 8.909 -8.922 9.012 1.00 0.00 N ATOM 930 CA ALA A 65 9.733 -8.613 7.837 1.00 0.00 C ATOM 931 C ALA A 65 9.624 -9.687 6.753 1.00 0.00 C ATOM 932 O ALA A 65 10.067 -10.819 6.952 1.00 0.00 O ATOM 933 CB ALA A 65 11.180 -8.351 8.277 1.00 0.00 C ATOM 0 H ALA A 65 9.422 -8.826 9.889 1.00 0.00 H new ATOM 0 HA ALA A 65 9.353 -7.703 7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.790 -8.122 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.203 -7.508 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.575 -9.237 8.773 1.00 0.00 H new ATOM 939 N GLY A 66 9.032 -9.323 5.607 1.00 0.00 N ATOM 940 CA GLY A 66 8.801 -10.231 4.492 1.00 0.00 C ATOM 941 C GLY A 66 7.315 -10.520 4.271 1.00 0.00 C ATOM 942 O GLY A 66 6.994 -11.121 3.250 1.00 0.00 O ATOM 0 H GLY A 66 8.698 -8.375 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.223 -9.801 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.327 -11.168 4.675 1.00 0.00 H new ATOM 946 N GLU A 67 6.406 -10.159 5.190 1.00 0.00 N ATOM 947 CA GLU A 67 4.973 -10.391 4.948 1.00 0.00 C ATOM 948 C GLU A 67 4.505 -9.469 3.801 1.00 0.00 C ATOM 949 O GLU A 67 5.197 -8.529 3.407 1.00 0.00 O ATOM 950 CB GLU A 67 4.146 -10.200 6.234 1.00 0.00 C ATOM 951 CG GLU A 67 4.321 -11.383 7.207 1.00 0.00 C ATOM 952 CD GLU A 67 3.528 -11.219 8.515 1.00 0.00 C ATOM 953 OE1 GLU A 67 3.504 -10.073 9.036 1.00 0.00 O ATOM 954 OE2 GLU A 67 2.975 -12.233 9.000 1.00 0.00 O ATOM 0 H GLU A 67 6.627 -9.718 6.083 1.00 0.00 H new ATOM 0 HA GLU A 67 4.815 -11.426 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.448 -9.276 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.092 -10.094 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.005 -12.301 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.379 -11.496 7.444 1.00 0.00 H new ATOM 961 N SER A 68 3.340 -9.708 3.200 1.00 0.00 N ATOM 962 CA SER A 68 2.898 -8.855 2.092 1.00 0.00 C ATOM 963 C SER A 68 1.457 -9.094 1.739 1.00 0.00 C ATOM 964 O SER A 68 0.873 -10.098 2.159 1.00 0.00 O ATOM 965 CB SER A 68 3.744 -9.134 0.814 1.00 0.00 C ATOM 966 OG SER A 68 3.276 -10.198 -0.004 1.00 0.00 O ATOM 0 H SER A 68 2.700 -10.462 3.450 1.00 0.00 H new ATOM 0 HA SER A 68 3.026 -7.826 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.777 -8.224 0.214 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.768 -9.354 1.117 1.00 0.00 H new ATOM 0 HG SER A 68 3.866 -10.298 -0.780 1.00 0.00 H new ATOM 972 N PHE A 69 0.899 -8.169 0.951 1.00 0.00 N ATOM 973 CA PHE A 69 -0.468 -8.394 0.522 1.00 0.00 C ATOM 974 C PHE A 69 -0.339 -7.890 -0.938 1.00 0.00 C ATOM 975 O PHE A 69 0.334 -6.885 -1.203 1.00 0.00 O ATOM 976 CB PHE A 69 -1.552 -7.625 1.323 1.00 0.00 C ATOM 977 CG PHE A 69 -2.208 -6.398 0.765 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.493 -5.268 0.369 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.603 -6.471 0.561 1.00 0.00 C ATOM 980 CE1 PHE A 69 -2.180 -4.262 -0.311 1.00 0.00 C ATOM 981 CE2 PHE A 69 -4.288 -5.435 -0.086 1.00 0.00 C ATOM 982 CZ PHE A 69 -3.556 -4.335 -0.550 1.00 0.00 C ATOM 0 H PHE A 69 1.344 -7.313 0.619 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.812 -9.419 0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.347 -8.337 1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.102 -7.340 2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.438 -5.174 0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.148 -7.336 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.632 -3.400 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.358 -5.483 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.053 -3.544 -1.092 1.00 0.00 H new ATOM 992 N THR A 70 -0.888 -8.573 -1.940 1.00 0.00 N ATOM 993 CA THR A 70 -0.815 -8.085 -3.321 1.00 0.00 C ATOM 994 C THR A 70 -2.174 -7.569 -3.741 1.00 0.00 C ATOM 995 O THR A 70 -3.214 -8.103 -3.343 1.00 0.00 O ATOM 996 CB THR A 70 -0.247 -9.150 -4.272 1.00 0.00 C ATOM 997 OG1 THR A 70 -0.079 -8.595 -5.556 1.00 0.00 O ATOM 998 CG2 THR A 70 -1.077 -10.431 -4.399 1.00 0.00 C ATOM 0 H THR A 70 -1.384 -9.457 -1.827 1.00 0.00 H new ATOM 0 HA THR A 70 -0.113 -7.253 -3.376 1.00 0.00 H new ATOM 0 HB THR A 70 0.700 -9.450 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.285 -9.275 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.588 -11.114 -5.093 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.164 -10.907 -3.422 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.071 -10.185 -4.772 1.00 0.00 H new ATOM 1006 N SER A 71 -2.131 -6.505 -4.550 1.00 0.00 N ATOM 1007 CA SER A 71 -3.285 -5.859 -5.116 1.00 0.00 C ATOM 1008 C SER A 71 -3.202 -5.988 -6.630 1.00 0.00 C ATOM 1009 O SER A 71 -2.126 -6.032 -7.234 1.00 0.00 O ATOM 1010 CB SER A 71 -3.363 -4.430 -4.583 1.00 0.00 C ATOM 1011 OG SER A 71 -2.210 -3.646 -4.814 1.00 0.00 O ATOM 0 H SER A 71 -1.253 -6.067 -4.829 1.00 0.00 H new ATOM 0 HA SER A 71 -4.224 -6.327 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.220 -3.934 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.550 -4.467 -3.510 1.00 0.00 H new ATOM 0 HG SER A 71 -1.472 -4.225 -5.097 1.00 0.00 H new ATOM 1017 N THR A 72 -4.364 -6.189 -7.235 1.00 0.00 N ATOM 1018 CA THR A 72 -4.538 -6.386 -8.662 1.00 0.00 C ATOM 1019 C THR A 72 -5.929 -5.866 -8.981 1.00 0.00 C ATOM 1020 O THR A 72 -6.916 -6.582 -8.843 1.00 0.00 O ATOM 1021 CB THR A 72 -4.326 -7.860 -9.062 1.00 0.00 C ATOM 1022 OG1 THR A 72 -2.972 -8.206 -8.852 1.00 0.00 O ATOM 1023 CG2 THR A 72 -4.606 -8.133 -10.544 1.00 0.00 C ATOM 0 H THR A 72 -5.245 -6.220 -6.722 1.00 0.00 H new ATOM 0 HA THR A 72 -3.792 -5.845 -9.244 1.00 0.00 H new ATOM 0 HB THR A 72 -5.020 -8.440 -8.454 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.526 -7.493 -8.349 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.438 -9.189 -10.758 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.641 -7.877 -10.772 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.939 -7.528 -11.158 1.00 0.00 H new ATOM 1031 N PHE A 73 -5.989 -4.573 -9.288 1.00 0.00 N ATOM 1032 CA PHE A 73 -7.169 -3.821 -9.681 1.00 0.00 C ATOM 1033 C PHE A 73 -7.256 -3.512 -11.174 1.00 0.00 C ATOM 1034 O PHE A 73 -6.269 -3.471 -11.917 1.00 0.00 O ATOM 1035 CB PHE A 73 -7.333 -2.621 -8.725 1.00 0.00 C ATOM 1036 CG PHE A 73 -6.141 -2.003 -8.041 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -5.090 -1.326 -8.671 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -6.145 -2.149 -6.646 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -4.040 -0.809 -7.879 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -5.135 -1.604 -5.856 1.00 0.00 C ATOM 1041 CZ PHE A 73 -4.063 -0.963 -6.473 1.00 0.00 C ATOM 0 H PHE A 73 -5.155 -3.986 -9.266 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.051 -4.450 -9.562 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.823 -1.828 -9.290 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.026 -2.929 -7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.082 -1.201 -9.744 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.948 -2.696 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.216 -0.294 -8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.183 -1.678 -4.780 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.247 -0.583 -5.876 1.00 0.00 H new ATOM 1051 N THR A 74 -8.516 -3.369 -11.607 1.00 0.00 N ATOM 1052 CA THR A 74 -8.904 -3.131 -12.997 1.00 0.00 C ATOM 1053 C THR A 74 -9.848 -1.967 -13.254 1.00 0.00 C ATOM 1054 O THR A 74 -10.236 -1.758 -14.401 1.00 0.00 O ATOM 1055 CB THR A 74 -9.469 -4.433 -13.596 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.653 -4.276 -14.981 1.00 0.00 O ATOM 1057 CG2 THR A 74 -10.811 -4.874 -13.005 1.00 0.00 C ATOM 0 H THR A 74 -9.316 -3.418 -10.976 1.00 0.00 H new ATOM 0 HA THR A 74 -7.985 -2.823 -13.496 1.00 0.00 H new ATOM 0 HB THR A 74 -8.734 -5.201 -13.355 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.864 -3.340 -15.179 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.134 -5.798 -13.484 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.700 -5.041 -11.934 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.557 -4.097 -13.176 1.00 0.00 H new ATOM 1065 N GLU A 75 -10.213 -1.222 -12.220 1.00 0.00 N ATOM 1066 CA GLU A 75 -11.123 -0.109 -12.235 1.00 0.00 C ATOM 1067 C GLU A 75 -10.324 1.180 -12.479 1.00 0.00 C ATOM 1068 O GLU A 75 -9.623 1.637 -11.570 1.00 0.00 O ATOM 1069 CB GLU A 75 -11.978 -0.146 -10.950 1.00 0.00 C ATOM 1070 CG GLU A 75 -11.343 0.003 -9.560 1.00 0.00 C ATOM 1071 CD GLU A 75 -10.714 -1.278 -8.949 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -10.226 -2.150 -9.716 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -10.752 -1.386 -7.698 1.00 0.00 O ATOM 0 H GLU A 75 -9.848 -1.402 -11.285 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.841 -0.158 -13.054 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.725 0.642 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.514 -1.095 -10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.570 0.769 -9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.106 0.370 -8.873 1.00 0.00 H new ATOM 1080 N PRO A 76 -10.360 1.721 -13.719 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.623 2.912 -14.108 1.00 0.00 C ATOM 1082 C PRO A 76 -10.016 4.048 -13.175 1.00 0.00 C ATOM 1083 O PRO A 76 -11.201 4.366 -13.024 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.946 3.186 -15.580 1.00 0.00 C ATOM 1085 CG PRO A 76 -11.242 2.431 -15.825 1.00 0.00 C ATOM 1086 CD PRO A 76 -11.187 1.277 -14.826 1.00 0.00 C ATOM 0 HA PRO A 76 -8.543 2.795 -14.019 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.065 4.253 -15.770 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.149 2.833 -16.235 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.112 3.065 -15.656 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.306 2.069 -16.851 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.188 1.016 -14.481 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.767 0.384 -15.289 1.00 0.00 H new ATOM 1094 N GLY A 77 -9.002 4.630 -12.528 1.00 0.00 N ATOM 1095 CA GLY A 77 -9.176 5.693 -11.558 1.00 0.00 C ATOM 1096 C GLY A 77 -7.944 5.881 -10.671 1.00 0.00 C ATOM 1097 O GLY A 77 -6.999 5.089 -10.718 1.00 0.00 O ATOM 0 H GLY A 77 -8.027 4.366 -12.672 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.390 6.626 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.041 5.472 -10.932 1.00 0.00 H new ATOM 1101 N THR A 78 -7.919 6.952 -9.867 1.00 0.00 N ATOM 1102 CA THR A 78 -6.814 7.195 -8.930 1.00 0.00 C ATOM 1103 C THR A 78 -7.386 7.009 -7.537 1.00 0.00 C ATOM 1104 O THR A 78 -8.400 7.604 -7.175 1.00 0.00 O ATOM 1105 CB THR A 78 -6.130 8.559 -9.092 1.00 0.00 C ATOM 1106 OG1 THR A 78 -5.054 8.627 -8.167 1.00 0.00 O ATOM 1107 CG2 THR A 78 -7.014 9.796 -8.915 1.00 0.00 C ATOM 0 H THR A 78 -8.650 7.663 -9.846 1.00 0.00 H new ATOM 0 HA THR A 78 -6.010 6.488 -9.135 1.00 0.00 H new ATOM 0 HB THR A 78 -5.812 8.598 -10.134 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.667 7.734 -8.049 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.414 10.695 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.817 9.778 -9.652 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.442 9.797 -7.913 1.00 0.00 H new ATOM 1115 N TYR A 79 -6.721 6.139 -6.774 1.00 0.00 N ATOM 1116 CA TYR A 79 -7.113 5.764 -5.431 1.00 0.00 C ATOM 1117 C TYR A 79 -5.994 5.878 -4.405 1.00 0.00 C ATOM 1118 O TYR A 79 -4.832 5.535 -4.638 1.00 0.00 O ATOM 1119 CB TYR A 79 -7.851 4.396 -5.513 1.00 0.00 C ATOM 1120 CG TYR A 79 -7.555 3.351 -6.603 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -7.927 3.717 -7.914 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -7.410 1.961 -6.338 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -8.078 2.791 -8.947 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -7.601 1.020 -7.372 1.00 0.00 C ATOM 1125 CZ TYR A 79 -7.915 1.431 -8.683 1.00 0.00 C ATOM 1126 OH TYR A 79 -8.147 0.545 -9.682 1.00 0.00 O ATOM 0 H TYR A 79 -5.873 5.668 -7.090 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.819 6.488 -5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.691 3.900 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.915 4.622 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.103 4.761 -8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.153 1.625 -5.344 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.320 3.125 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.505 -0.034 -7.155 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.504 1.018 -10.462 1.00 0.00 H new ATOM 1136 N THR A 80 -6.355 6.536 -3.293 1.00 0.00 N ATOM 1137 CA THR A 80 -5.497 6.856 -2.144 1.00 0.00 C ATOM 1138 C THR A 80 -5.429 5.729 -1.138 1.00 0.00 C ATOM 1139 O THR A 80 -6.415 5.025 -0.922 1.00 0.00 O ATOM 1140 CB THR A 80 -6.010 8.068 -1.329 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.770 8.964 -2.094 1.00 0.00 O ATOM 1142 CG2 THR A 80 -4.878 8.885 -0.705 1.00 0.00 C ATOM 0 H THR A 80 -7.307 6.878 -3.165 1.00 0.00 H new ATOM 0 HA THR A 80 -4.528 7.057 -2.600 1.00 0.00 H new ATOM 0 HB THR A 80 -6.628 7.613 -0.555 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.710 8.686 -2.085 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.298 9.721 -0.146 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.301 8.252 -0.031 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.227 9.265 -1.492 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.287 5.601 -0.462 1.00 0.00 N ATOM 1151 CA TYR A 81 -4.145 4.589 0.565 1.00 0.00 C ATOM 1152 C TYR A 81 -3.112 5.042 1.584 1.00 0.00 C ATOM 1153 O TYR A 81 -2.351 5.988 1.366 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.843 3.208 -0.055 1.00 0.00 C ATOM 1155 CG TYR A 81 -2.450 2.700 0.190 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -1.428 3.114 -0.665 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -2.164 1.906 1.317 1.00 0.00 C ATOM 1158 CE1 TYR A 81 -0.128 2.665 -0.430 1.00 0.00 C ATOM 1159 CE2 TYR A 81 -0.850 1.475 1.566 1.00 0.00 C ATOM 1160 CZ TYR A 81 0.164 1.807 0.651 1.00 0.00 C ATOM 1161 OH TYR A 81 1.416 1.307 0.806 1.00 0.00 O ATOM 0 H TYR A 81 -3.461 6.181 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 81 -5.087 4.465 1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.554 2.484 0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.011 3.263 -1.131 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.640 3.771 -1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.958 1.627 1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.669 2.980 -1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.622 0.896 2.449 1.00 0.00 H new ATOM 0 HH TYR A 81 1.961 1.942 1.315 1.00 0.00 H new ATOM 1171 N TYR A 82 -3.144 4.375 2.735 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.299 4.637 3.885 1.00 0.00 C ATOM 1173 C TYR A 82 -2.201 3.426 4.832 1.00 0.00 C ATOM 1174 O TYR A 82 -2.805 2.376 4.602 1.00 0.00 O ATOM 1175 CB TYR A 82 -2.877 5.872 4.600 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.272 5.722 5.178 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -4.393 5.144 6.447 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -5.432 6.161 4.495 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -5.642 5.016 7.051 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -6.700 6.026 5.103 1.00 0.00 C ATOM 1181 CZ TYR A 82 -6.805 5.442 6.385 1.00 0.00 C ATOM 1182 OH TYR A 82 -8.008 5.233 6.985 1.00 0.00 O ATOM 0 H TYR A 82 -3.791 3.603 2.893 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.277 4.825 3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.200 6.148 5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.886 6.703 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.511 4.794 6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.348 6.598 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.718 4.586 8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.586 6.368 4.589 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.984 4.388 7.481 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.406 3.599 5.888 1.00 0.00 N ATOM 1193 CA CYS A 83 -1.192 2.624 6.953 1.00 0.00 C ATOM 1194 C CYS A 83 -1.795 3.213 8.236 1.00 0.00 C ATOM 1195 O CYS A 83 -1.235 4.160 8.792 1.00 0.00 O ATOM 1196 CB CYS A 83 0.302 2.363 7.105 1.00 0.00 C ATOM 1197 SG CYS A 83 0.760 1.345 8.521 1.00 0.00 S ATOM 0 H CYS A 83 -0.873 4.457 6.029 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.670 1.670 6.730 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.665 1.880 6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.816 3.321 7.184 1.00 0.00 H new ATOM 0 HG CYS A 83 0.936 2.104 9.562 1.00 0.00 H new ATOM 1202 N GLU A 84 -2.917 2.680 8.739 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.609 3.200 9.939 1.00 0.00 C ATOM 1204 C GLU A 84 -2.697 3.700 11.087 1.00 0.00 C ATOM 1205 O GLU A 84 -2.731 4.901 11.382 1.00 0.00 O ATOM 1206 CB GLU A 84 -4.649 2.195 10.502 1.00 0.00 C ATOM 1207 CG GLU A 84 -5.973 1.996 9.741 1.00 0.00 C ATOM 1208 CD GLU A 84 -6.914 3.213 9.691 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -6.787 4.129 10.537 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -7.693 3.302 8.708 1.00 0.00 O ATOM 0 H GLU A 84 -3.378 1.869 8.325 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.115 4.086 9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.162 1.223 10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.895 2.508 11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.740 1.700 8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.510 1.165 10.198 1.00 0.00 H new ATOM 1217 N PRO A 85 -1.838 2.865 11.704 1.00 0.00 N ATOM 1218 CA PRO A 85 -1.000 3.297 12.820 1.00 0.00 C ATOM 1219 C PRO A 85 0.063 4.345 12.491 1.00 0.00 C ATOM 1220 O PRO A 85 0.623 4.916 13.422 1.00 0.00 O ATOM 1221 CB PRO A 85 -0.361 2.019 13.360 1.00 0.00 C ATOM 1222 CG PRO A 85 -0.280 1.119 12.131 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.578 1.461 11.406 1.00 0.00 C ATOM 0 HA PRO A 85 -1.627 3.815 13.546 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.625 2.210 13.784 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.965 1.570 14.148 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.598 1.337 11.522 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.228 0.064 12.400 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.481 1.300 10.332 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.397 0.829 11.750 1.00 0.00 H new ATOM 1231 N HIS A 86 0.334 4.660 11.219 1.00 0.00 N ATOM 1232 CA HIS A 86 1.387 5.626 10.862 1.00 0.00 C ATOM 1233 C HIS A 86 0.955 6.743 9.903 1.00 0.00 C ATOM 1234 O HIS A 86 1.744 7.644 9.613 1.00 0.00 O ATOM 1235 CB HIS A 86 2.616 4.848 10.372 1.00 0.00 C ATOM 1236 CG HIS A 86 3.092 3.759 11.299 1.00 0.00 C ATOM 1237 ND1 HIS A 86 3.369 3.872 12.646 1.00 0.00 N ATOM 1238 CD2 HIS A 86 3.221 2.443 10.953 1.00 0.00 C ATOM 1239 CE1 HIS A 86 3.650 2.636 13.097 1.00 0.00 C ATOM 1240 NE2 HIS A 86 3.553 1.742 12.105 1.00 0.00 N ATOM 0 H HIS A 86 -0.159 4.263 10.419 1.00 0.00 H new ATOM 0 HA HIS A 86 1.638 6.184 11.764 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.384 4.404 9.404 1.00 0.00 H new ATOM 0 HB3 HIS A 86 3.433 5.552 10.213 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.089 2.025 9.966 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.916 2.398 14.116 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.696 0.735 12.181 1.00 0.00 H new ATOM 1248 N ARG A 87 -0.297 6.724 9.429 1.00 0.00 N ATOM 1249 CA ARG A 87 -0.901 7.726 8.545 1.00 0.00 C ATOM 1250 C ARG A 87 -0.671 9.174 9.025 1.00 0.00 C ATOM 1251 O ARG A 87 -0.212 9.995 8.235 1.00 0.00 O ATOM 1252 CB ARG A 87 -2.362 7.285 8.330 1.00 0.00 C ATOM 1253 CG ARG A 87 -3.464 8.319 8.016 1.00 0.00 C ATOM 1254 CD ARG A 87 -4.172 8.930 9.242 1.00 0.00 C ATOM 1255 NE ARG A 87 -4.394 7.954 10.326 1.00 0.00 N ATOM 1256 CZ ARG A 87 -5.280 6.973 10.421 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -6.296 6.769 9.625 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -5.142 6.058 11.338 1.00 0.00 N ATOM 0 H ARG A 87 -0.947 5.973 9.663 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.414 7.765 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.361 6.561 7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.671 6.752 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.023 9.128 7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.215 7.843 7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.575 9.759 9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.131 9.344 8.932 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.769 8.049 11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.464 7.399 8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.921 5.979 9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.352 6.097 11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.824 5.303 11.412 1.00 0.00 H new ATOM 1272 N GLY A 88 -0.854 9.449 10.322 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.631 10.769 10.955 1.00 0.00 C ATOM 1274 C GLY A 88 0.846 11.223 11.024 1.00 0.00 C ATOM 1275 O GLY A 88 1.136 12.393 11.285 1.00 0.00 O ATOM 0 H GLY A 88 -1.171 8.743 10.986 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.200 11.519 10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.034 10.742 11.967 1.00 0.00 H new ATOM 1279 N ALA A 89 1.755 10.265 10.797 1.00 0.00 N ATOM 1280 CA ALA A 89 3.208 10.371 10.741 1.00 0.00 C ATOM 1281 C ALA A 89 3.707 10.364 9.281 1.00 0.00 C ATOM 1282 O ALA A 89 4.906 10.489 9.044 1.00 0.00 O ATOM 1283 CB ALA A 89 3.838 9.252 11.583 1.00 0.00 C ATOM 0 H ALA A 89 1.455 9.304 10.633 1.00 0.00 H new ATOM 0 HA ALA A 89 3.519 11.325 11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.924 9.332 11.540 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.508 9.345 12.618 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.530 8.283 11.190 1.00 0.00 H new ATOM 1289 N GLY A 90 2.801 10.198 8.301 1.00 0.00 N ATOM 1290 CA GLY A 90 3.137 10.228 6.882 1.00 0.00 C ATOM 1291 C GLY A 90 3.086 8.895 6.149 1.00 0.00 C ATOM 1292 O GLY A 90 3.434 8.880 4.967 1.00 0.00 O ATOM 0 H GLY A 90 1.810 10.039 8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.457 10.919 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.141 10.638 6.777 1.00 0.00 H new ATOM 1296 N MET A 91 2.667 7.786 6.780 1.00 0.00 N ATOM 1297 CA MET A 91 2.608 6.505 6.069 1.00 0.00 C ATOM 1298 C MET A 91 1.308 6.441 5.244 1.00 0.00 C ATOM 1299 O MET A 91 0.412 5.637 5.482 1.00 0.00 O ATOM 1300 CB MET A 91 2.785 5.339 7.042 1.00 0.00 C ATOM 1301 CG MET A 91 3.317 4.099 6.305 1.00 0.00 C ATOM 1302 SD MET A 91 3.991 2.794 7.371 1.00 0.00 S ATOM 1303 CE MET A 91 5.041 1.921 6.179 1.00 0.00 C ATOM 0 H MET A 91 2.372 7.751 7.756 1.00 0.00 H new ATOM 0 HA MET A 91 3.435 6.421 5.364 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.476 5.622 7.836 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.832 5.106 7.517 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.509 3.677 5.708 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.095 4.415 5.610 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.261 0.921 6.552 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.522 1.846 5.224 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.972 2.471 6.043 1.00 0.00 H new ATOM 1313 N VAL A 92 1.221 7.330 4.259 1.00 0.00 N ATOM 1314 CA VAL A 92 0.149 7.608 3.306 1.00 0.00 C ATOM 1315 C VAL A 92 0.739 7.813 1.904 1.00 0.00 C ATOM 1316 O VAL A 92 1.924 8.116 1.740 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.677 8.815 3.829 1.00 0.00 C ATOM 1318 CG1 VAL A 92 0.151 10.093 4.024 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -1.888 9.200 2.960 1.00 0.00 C ATOM 0 H VAL A 92 2.007 7.957 4.088 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.537 6.765 3.218 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.030 8.436 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.494 10.892 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.944 9.906 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.591 10.390 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.400 10.052 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.548 9.465 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.575 8.356 2.898 1.00 0.00 H new ATOM 1329 N GLY A 93 -0.107 7.629 0.893 1.00 0.00 N ATOM 1330 CA GLY A 93 0.276 7.746 -0.510 1.00 0.00 C ATOM 1331 C GLY A 93 -0.890 7.629 -1.484 1.00 0.00 C ATOM 1332 O GLY A 93 -2.056 7.614 -1.086 1.00 0.00 O ATOM 0 H GLY A 93 -1.090 7.392 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.768 8.707 -0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.008 6.972 -0.742 1.00 0.00 H new ATOM 1336 N LYS A 94 -0.558 7.493 -2.774 1.00 0.00 N ATOM 1337 CA LYS A 94 -1.527 7.390 -3.870 1.00 0.00 C ATOM 1338 C LYS A 94 -1.162 6.215 -4.784 1.00 0.00 C ATOM 1339 O LYS A 94 -0.140 5.548 -4.618 1.00 0.00 O ATOM 1340 CB LYS A 94 -1.599 8.752 -4.616 1.00 0.00 C ATOM 1341 CG LYS A 94 -2.887 9.052 -5.422 1.00 0.00 C ATOM 1342 CD LYS A 94 -4.069 9.491 -4.546 1.00 0.00 C ATOM 1343 CE LYS A 94 -5.388 9.544 -5.331 1.00 0.00 C ATOM 1344 NZ LYS A 94 -6.467 10.157 -4.522 1.00 0.00 N ATOM 0 H LYS A 94 0.411 7.451 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.525 7.180 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.468 9.547 -3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.752 8.807 -5.300 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.676 9.834 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.171 8.161 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.174 8.801 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.860 10.474 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.246 10.117 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.679 8.536 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.391 9.844 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.365 9.865 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.403 11.193 -4.586 1.00 0.00 H new ATOM 1358 N VAL A 95 -2.069 5.960 -5.725 1.00 0.00 N ATOM 1359 CA VAL A 95 -2.048 4.966 -6.789 1.00 0.00 C ATOM 1360 C VAL A 95 -2.853 5.545 -7.961 1.00 0.00 C ATOM 1361 O VAL A 95 -3.887 6.202 -7.756 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.723 3.642 -6.343 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.430 2.534 -7.361 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -2.228 3.145 -4.978 1.00 0.00 C ATOM 0 H VAL A 95 -2.929 6.507 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.015 4.747 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.789 3.859 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.908 1.609 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.820 2.824 -8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.353 2.381 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.738 2.216 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.153 2.969 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.441 3.897 -4.218 1.00 0.00 H new ATOM 1374 N VAL A 96 -2.378 5.317 -9.186 1.00 0.00 N ATOM 1375 CA VAL A 96 -3.035 5.746 -10.420 1.00 0.00 C ATOM 1376 C VAL A 96 -3.157 4.524 -11.289 1.00 0.00 C ATOM 1377 O VAL A 96 -2.180 3.781 -11.455 1.00 0.00 O ATOM 1378 CB VAL A 96 -2.231 6.831 -11.149 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.794 7.170 -12.537 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -2.175 8.124 -10.330 1.00 0.00 C ATOM 0 H VAL A 96 -1.505 4.817 -9.351 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.008 6.181 -10.192 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.232 6.412 -11.273 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.181 7.943 -12.999 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.784 6.277 -13.162 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.818 7.531 -12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.599 8.874 -10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.187 8.494 -10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.699 7.926 -9.369 1.00 0.00 H new ATOM 1390 N VAL A 97 -4.372 4.272 -11.793 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.554 3.136 -12.685 1.00 0.00 C ATOM 1392 C VAL A 97 -5.384 3.488 -13.912 1.00 0.00 C ATOM 1393 O VAL A 97 -6.391 4.199 -13.819 1.00 0.00 O ATOM 1394 CB VAL A 97 -5.109 1.883 -11.964 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -4.809 1.847 -10.458 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.593 1.604 -12.190 1.00 0.00 C ATOM 0 H VAL A 97 -5.211 4.820 -11.604 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.555 2.876 -13.035 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.553 1.082 -12.451 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.230 0.940 -10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.730 1.857 -10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.254 2.718 -9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.882 0.707 -11.643 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.181 2.451 -11.835 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.777 1.455 -13.254 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.920 2.878 -15.007 1.00 0.00 N ATOM 1407 CA GLU A 98 -5.304 2.798 -16.426 1.00 0.00 C ATOM 1408 C GLU A 98 -4.117 3.104 -17.357 1.00 0.00 C ATOM 1409 O GLU A 98 -3.254 3.941 -17.016 1.00 0.00 O ATOM 1410 CB GLU A 98 -6.528 3.670 -16.776 1.00 0.00 C ATOM 1411 CG GLU A 98 -6.284 5.184 -16.863 1.00 0.00 C ATOM 1412 CD GLU A 98 -7.587 5.989 -16.964 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -8.508 5.557 -17.699 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -7.642 7.068 -16.334 1.00 0.00 O ATOM 1415 OXT GLU A 98 -4.048 2.379 -18.382 1.00 0.00 O ATOM 0 H GLU A 98 -4.084 2.306 -14.886 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.606 1.764 -16.593 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.926 3.332 -17.733 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.301 3.491 -16.028 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.728 5.509 -15.984 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.661 5.398 -17.731 1.00 0.00 H new TER 1422 GLU A 98