USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 47 SER OG : rot -35:sc= 1.56 USER MOD Set 1.2: A 54 GLN : amide:sc= 0.778 K(o=2.6,f=-4.7!) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 0.301 K(o=2.6,f=-4.3!) USER MOD Single : A 1 ALA N :NH3+ 153:sc= 0.0174 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.124 X(o=0.12,f=0.0054) USER MOD Single : A 6 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 THR OG1 : rot 130:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 45:sc= 0.191 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= 1.29 (180deg=1.12) USER MOD Single : A 22 SER OG : rot 75:sc= 0.321 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= 0.178 (180deg=-0.306!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 36 ASN : amide:sc= -1.18! C(o=-1.2!,f=-13!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 144:sc= -0.632 (180deg=-4.8!) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc=-0.00565 (180deg=-0.17) USER MOD Single : A 50 THR OG1 : rot 150:sc= -0.104 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0504 F(o=-1,f=-0.05) USER MOD Single : A 65 TYR OH : rot -72:sc= 2.31 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.191 8.414 -8.898 1.00 0.00 N ATOM 2 CA ALA A 1 -6.777 8.349 -7.491 1.00 0.00 C ATOM 3 C ALA A 1 -5.300 7.999 -7.435 1.00 0.00 C ATOM 4 O ALA A 1 -4.847 7.113 -8.160 1.00 0.00 O ATOM 5 CB ALA A 1 -7.603 7.317 -6.725 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.205 8.196 -8.972 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.015 9.370 -9.268 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.647 7.722 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.945 9.317 -7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.276 7.289 -5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.657 7.591 -6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.466 6.334 -7.175 1.00 0.00 H new ATOM 13 N ASN A 2 -4.527 8.681 -6.594 1.00 0.00 N ATOM 14 CA ASN A 2 -3.096 8.461 -6.447 1.00 0.00 C ATOM 15 C ASN A 2 -2.826 7.384 -5.405 1.00 0.00 C ATOM 16 O ASN A 2 -2.745 7.698 -4.219 1.00 0.00 O ATOM 17 CB ASN A 2 -2.307 9.756 -6.162 1.00 0.00 C ATOM 18 CG ASN A 2 -2.874 11.085 -6.660 1.00 0.00 C ATOM 19 OD1 ASN A 2 -2.308 11.704 -7.556 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.965 11.586 -6.105 1.00 0.00 N ATOM 0 H ASN A 2 -4.887 9.416 -5.985 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.727 8.106 -7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.180 9.835 -5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.313 9.639 -6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.333 12.483 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.439 11.075 -5.360 1.00 0.00 H new ATOM 27 N VAL A 3 -2.681 6.123 -5.807 1.00 0.00 N ATOM 28 CA VAL A 3 -2.606 5.005 -4.878 1.00 0.00 C ATOM 29 C VAL A 3 -1.381 4.180 -5.171 1.00 0.00 C ATOM 30 O VAL A 3 -1.189 3.746 -6.301 1.00 0.00 O ATOM 31 CB VAL A 3 -3.891 4.168 -4.920 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.751 2.892 -4.070 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.027 5.067 -4.406 1.00 0.00 C ATOM 0 H VAL A 3 -2.612 5.851 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.517 5.389 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.102 3.833 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.677 2.319 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.929 2.287 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.547 3.165 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.965 4.511 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.807 5.385 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.116 5.943 -5.048 1.00 0.00 H new ATOM 43 N GLU A 4 -0.586 3.937 -4.135 1.00 0.00 N ATOM 44 CA GLU A 4 0.674 3.240 -4.239 1.00 0.00 C ATOM 45 C GLU A 4 0.796 2.239 -3.108 1.00 0.00 C ATOM 46 O GLU A 4 0.335 2.502 -1.994 1.00 0.00 O ATOM 47 CB GLU A 4 1.813 4.272 -4.186 1.00 0.00 C ATOM 48 CG GLU A 4 1.911 5.159 -5.434 1.00 0.00 C ATOM 49 CD GLU A 4 3.094 6.126 -5.368 1.00 0.00 C ATOM 50 OE1 GLU A 4 4.260 5.678 -5.243 1.00 0.00 O ATOM 51 OE2 GLU A 4 2.882 7.359 -5.447 1.00 0.00 O ATOM 0 H GLU A 4 -0.811 4.228 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 4 0.731 2.695 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.673 4.907 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.759 3.747 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.009 4.529 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.987 5.726 -5.547 1.00 0.00 H new ATOM 58 N ILE A 5 1.431 1.100 -3.386 1.00 0.00 N ATOM 59 CA ILE A 5 1.668 0.062 -2.406 1.00 0.00 C ATOM 60 C ILE A 5 3.070 -0.500 -2.601 1.00 0.00 C ATOM 61 O ILE A 5 3.372 -1.054 -3.656 1.00 0.00 O ATOM 62 CB ILE A 5 0.519 -0.966 -2.452 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.731 -1.961 -1.289 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.270 -1.704 -3.781 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.404 -2.971 -1.072 1.00 0.00 C ATOM 0 H ILE A 5 1.796 0.878 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 5 1.654 0.450 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.398 -0.385 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.655 -2.511 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.871 -1.394 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.566 -2.393 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.036 -0.980 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.164 -2.262 -4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.156 -3.622 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.330 -2.437 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.533 -3.572 -1.972 1.00 0.00 H new ATOM 77 N TYR A 6 3.947 -0.321 -1.612 1.00 0.00 N ATOM 78 CA TYR A 6 5.249 -0.977 -1.637 1.00 0.00 C ATOM 79 C TYR A 6 5.070 -2.461 -1.285 1.00 0.00 C ATOM 80 O TYR A 6 4.233 -2.780 -0.431 1.00 0.00 O ATOM 81 CB TYR A 6 6.226 -0.269 -0.690 1.00 0.00 C ATOM 82 CG TYR A 6 6.638 1.137 -1.085 1.00 0.00 C ATOM 83 CD1 TYR A 6 7.569 1.340 -2.119 1.00 0.00 C ATOM 84 CD2 TYR A 6 6.124 2.243 -0.386 1.00 0.00 C ATOM 85 CE1 TYR A 6 7.964 2.644 -2.476 1.00 0.00 C ATOM 86 CE2 TYR A 6 6.529 3.549 -0.719 1.00 0.00 C ATOM 87 CZ TYR A 6 7.443 3.756 -1.775 1.00 0.00 C ATOM 88 OH TYR A 6 7.818 5.022 -2.100 1.00 0.00 O ATOM 0 H TYR A 6 3.780 0.266 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 6 5.680 -0.914 -2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.774 -0.228 0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.125 -0.879 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.984 0.491 -2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.413 2.089 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.664 2.794 -3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.141 4.392 -0.167 1.00 0.00 H new ATOM 0 HH TYR A 6 8.035 5.064 -3.055 1.00 0.00 H new ATOM 98 N THR A 7 5.859 -3.357 -1.895 1.00 0.00 N ATOM 99 CA THR A 7 5.714 -4.811 -1.763 1.00 0.00 C ATOM 100 C THR A 7 7.062 -5.567 -1.835 1.00 0.00 C ATOM 101 O THR A 7 8.091 -4.970 -2.151 1.00 0.00 O ATOM 102 CB THR A 7 4.747 -5.307 -2.855 1.00 0.00 C ATOM 103 OG1 THR A 7 5.240 -4.965 -4.135 1.00 0.00 O ATOM 104 CG2 THR A 7 3.327 -4.731 -2.773 1.00 0.00 C ATOM 0 H THR A 7 6.630 -3.085 -2.505 1.00 0.00 H new ATOM 0 HA THR A 7 5.313 -5.023 -0.772 1.00 0.00 H new ATOM 0 HB THR A 7 4.689 -6.383 -2.691 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.232 -5.758 -4.711 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.722 -5.139 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.880 -4.999 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.369 -3.646 -2.863 1.00 0.00 H new ATOM 112 N LYS A 8 7.078 -6.886 -1.567 1.00 0.00 N ATOM 113 CA LYS A 8 8.228 -7.783 -1.800 1.00 0.00 C ATOM 114 C LYS A 8 7.748 -9.185 -2.202 1.00 0.00 C ATOM 115 O LYS A 8 6.551 -9.466 -2.088 1.00 0.00 O ATOM 116 CB LYS A 8 9.239 -7.848 -0.614 1.00 0.00 C ATOM 117 CG LYS A 8 8.860 -7.056 0.641 1.00 0.00 C ATOM 118 CD LYS A 8 9.856 -7.129 1.806 1.00 0.00 C ATOM 119 CE LYS A 8 9.686 -8.353 2.716 1.00 0.00 C ATOM 120 NZ LYS A 8 8.793 -8.107 3.870 1.00 0.00 N ATOM 0 H LYS A 8 6.272 -7.371 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 8 8.787 -7.345 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.371 -8.893 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.205 -7.488 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.733 -6.010 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.892 -7.412 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.868 -7.131 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.756 -6.227 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.289 -9.181 2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.665 -8.663 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.721 -8.972 4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.181 -7.337 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.848 -7.839 3.527 1.00 0.00 H new ATOM 134 N GLU A 9 8.686 -10.069 -2.565 1.00 0.00 N ATOM 135 CA GLU A 9 8.504 -11.468 -2.973 1.00 0.00 C ATOM 136 C GLU A 9 7.631 -12.226 -1.980 1.00 0.00 C ATOM 137 O GLU A 9 6.802 -13.043 -2.369 1.00 0.00 O ATOM 138 CB GLU A 9 9.858 -12.213 -3.002 1.00 0.00 C ATOM 139 CG GLU A 9 10.881 -11.818 -4.070 1.00 0.00 C ATOM 140 CD GLU A 9 10.530 -12.305 -5.471 1.00 0.00 C ATOM 141 OE1 GLU A 9 9.801 -11.610 -6.214 1.00 0.00 O ATOM 142 OE2 GLU A 9 11.096 -13.333 -5.909 1.00 0.00 O ATOM 0 H GLU A 9 9.671 -9.803 -2.582 1.00 0.00 H new ATOM 0 HA GLU A 9 8.041 -11.439 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.329 -12.085 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.650 -13.277 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.974 -10.732 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.856 -12.217 -3.791 1.00 0.00 H new ATOM 149 N THR A 10 7.824 -11.957 -0.692 1.00 0.00 N ATOM 150 CA THR A 10 7.260 -12.732 0.399 1.00 0.00 C ATOM 151 C THR A 10 6.682 -11.730 1.384 1.00 0.00 C ATOM 152 O THR A 10 7.382 -11.216 2.263 1.00 0.00 O ATOM 153 CB THR A 10 8.340 -13.647 1.005 1.00 0.00 C ATOM 154 OG1 THR A 10 9.525 -12.933 1.308 1.00 0.00 O ATOM 155 CG2 THR A 10 8.724 -14.775 0.047 1.00 0.00 C ATOM 0 H THR A 10 8.393 -11.172 -0.374 1.00 0.00 H new ATOM 0 HA THR A 10 6.465 -13.403 0.073 1.00 0.00 H new ATOM 0 HB THR A 10 7.903 -14.055 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.295 -12.092 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.488 -15.400 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.845 -15.380 -0.173 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.113 -14.350 -0.878 1.00 0.00 H new ATOM 163 N CYS A 11 5.423 -11.364 1.164 1.00 0.00 N ATOM 164 CA CYS A 11 4.718 -10.357 1.925 1.00 0.00 C ATOM 165 C CYS A 11 3.237 -10.758 1.941 1.00 0.00 C ATOM 166 O CYS A 11 2.470 -10.302 1.088 1.00 0.00 O ATOM 167 CB CYS A 11 4.958 -8.991 1.281 1.00 0.00 C ATOM 168 SG CYS A 11 4.148 -7.643 2.166 1.00 0.00 S ATOM 0 H CYS A 11 4.854 -11.778 0.426 1.00 0.00 H new ATOM 0 HA CYS A 11 5.070 -10.286 2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.030 -8.798 1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.597 -9.012 0.253 1.00 0.00 H new ATOM 173 N PRO A 12 2.804 -11.601 2.893 1.00 0.00 N ATOM 174 CA PRO A 12 1.443 -12.124 2.910 1.00 0.00 C ATOM 175 C PRO A 12 0.436 -10.983 3.037 1.00 0.00 C ATOM 176 O PRO A 12 -0.561 -10.958 2.319 1.00 0.00 O ATOM 177 CB PRO A 12 1.391 -13.118 4.072 1.00 0.00 C ATOM 178 CG PRO A 12 2.549 -12.708 4.979 1.00 0.00 C ATOM 179 CD PRO A 12 3.571 -12.119 4.014 1.00 0.00 C ATOM 0 HA PRO A 12 1.175 -12.632 1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.437 -13.065 4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.505 -14.144 3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.235 -11.978 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.955 -13.562 5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.149 -11.328 4.491 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.281 -12.878 3.685 1.00 0.00 H new ATOM 187 N TYR A 13 0.753 -9.945 3.815 1.00 0.00 N ATOM 188 CA TYR A 13 -0.133 -8.803 3.965 1.00 0.00 C ATOM 189 C TYR A 13 -0.136 -7.921 2.705 1.00 0.00 C ATOM 190 O TYR A 13 -1.142 -7.261 2.448 1.00 0.00 O ATOM 191 CB TYR A 13 0.292 -8.000 5.196 1.00 0.00 C ATOM 192 CG TYR A 13 -0.077 -8.601 6.534 1.00 0.00 C ATOM 193 CD1 TYR A 13 -1.431 -8.702 6.909 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.930 -8.976 7.441 1.00 0.00 C ATOM 195 CE1 TYR A 13 -1.784 -9.108 8.208 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.582 -9.423 8.725 1.00 0.00 C ATOM 197 CZ TYR A 13 -0.770 -9.455 9.128 1.00 0.00 C ATOM 198 OH TYR A 13 -1.071 -9.762 10.419 1.00 0.00 O ATOM 0 H TYR A 13 1.620 -9.878 4.349 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.153 -9.163 4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.373 -7.868 5.164 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.153 -7.007 5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.204 -8.466 6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.969 -8.920 7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.823 -9.154 8.500 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.354 -9.744 9.409 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.247 -9.976 10.905 1.00 0.00 H new ATOM 208 N CYS A 14 0.917 -7.923 1.877 1.00 0.00 N ATOM 209 CA CYS A 14 0.864 -7.275 0.566 1.00 0.00 C ATOM 210 C CYS A 14 -0.179 -7.970 -0.285 1.00 0.00 C ATOM 211 O CYS A 14 -1.088 -7.318 -0.798 1.00 0.00 O ATOM 212 CB CYS A 14 2.216 -7.281 -0.157 1.00 0.00 C ATOM 213 SG CYS A 14 3.583 -6.415 0.659 1.00 0.00 S ATOM 0 H CYS A 14 1.811 -8.365 2.093 1.00 0.00 H new ATOM 0 HA CYS A 14 0.599 -6.230 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.514 -8.318 -0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.075 -6.840 -1.144 1.00 0.00 H new ATOM 218 N HIS A 15 -0.079 -9.294 -0.384 1.00 0.00 N ATOM 219 CA HIS A 15 -1.074 -10.094 -1.068 1.00 0.00 C ATOM 220 C HIS A 15 -2.471 -9.853 -0.484 1.00 0.00 C ATOM 221 O HIS A 15 -3.398 -9.678 -1.267 1.00 0.00 O ATOM 222 CB HIS A 15 -0.630 -11.556 -1.041 1.00 0.00 C ATOM 223 CG HIS A 15 -1.663 -12.501 -1.575 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.180 -12.521 -2.856 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.215 -13.524 -0.865 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.041 -13.555 -2.916 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.073 -14.179 -1.721 1.00 0.00 N ATOM 0 H HIS A 15 0.693 -9.834 0.008 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.154 -9.797 -2.114 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.284 -11.661 -1.625 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.388 -11.836 -0.016 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.018 -13.773 0.167 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.616 -13.840 -3.785 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.637 -14.997 -1.490 1.00 0.00 H new ATOM 236 N ARG A 16 -2.644 -9.758 0.845 1.00 0.00 N ATOM 237 CA ARG A 16 -3.931 -9.436 1.464 1.00 0.00 C ATOM 238 C ARG A 16 -4.499 -8.137 0.897 1.00 0.00 C ATOM 239 O ARG A 16 -5.622 -8.129 0.396 1.00 0.00 O ATOM 240 CB ARG A 16 -3.833 -9.346 3.005 1.00 0.00 C ATOM 241 CG ARG A 16 -3.506 -10.641 3.772 1.00 0.00 C ATOM 242 CD ARG A 16 -4.746 -11.450 4.171 1.00 0.00 C ATOM 243 NE ARG A 16 -5.332 -12.152 3.022 1.00 0.00 N ATOM 244 CZ ARG A 16 -6.494 -11.902 2.409 1.00 0.00 C ATOM 245 NH1 ARG A 16 -7.301 -10.929 2.820 1.00 0.00 N ATOM 246 NH2 ARG A 16 -6.827 -12.629 1.351 1.00 0.00 N ATOM 0 H ARG A 16 -1.891 -9.903 1.517 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.609 -10.255 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.070 -8.607 3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.782 -8.962 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.859 -11.265 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.943 -10.388 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.476 -12.174 4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.490 -10.784 4.608 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.785 -12.926 2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.039 -10.353 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.182 -10.758 2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.201 -13.363 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.709 -12.454 0.869 1.00 0.00 H new ATOM 260 N ALA A 17 -3.740 -7.040 0.972 1.00 0.00 N ATOM 261 CA ALA A 17 -4.216 -5.743 0.510 1.00 0.00 C ATOM 262 C ALA A 17 -4.514 -5.788 -0.985 1.00 0.00 C ATOM 263 O ALA A 17 -5.594 -5.366 -1.390 1.00 0.00 O ATOM 264 CB ALA A 17 -3.178 -4.656 0.826 1.00 0.00 C ATOM 0 H ALA A 17 -2.793 -7.029 1.350 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.140 -5.500 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.544 -3.691 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.012 -4.613 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.240 -4.892 0.324 1.00 0.00 H new ATOM 270 N LYS A 18 -3.589 -6.297 -1.808 1.00 0.00 N ATOM 271 CA LYS A 18 -3.809 -6.338 -3.250 1.00 0.00 C ATOM 272 C LYS A 18 -5.033 -7.178 -3.586 1.00 0.00 C ATOM 273 O LYS A 18 -5.813 -6.757 -4.433 1.00 0.00 O ATOM 274 CB LYS A 18 -2.568 -6.814 -4.021 1.00 0.00 C ATOM 275 CG LYS A 18 -1.393 -5.823 -3.916 1.00 0.00 C ATOM 276 CD LYS A 18 -0.469 -5.868 -5.140 1.00 0.00 C ATOM 277 CE LYS A 18 0.172 -7.240 -5.370 1.00 0.00 C ATOM 278 NZ LYS A 18 0.888 -7.299 -6.661 1.00 0.00 N ATOM 0 H LYS A 18 -2.695 -6.680 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.998 -5.315 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.256 -7.785 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.828 -6.955 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.785 -4.813 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.814 -6.046 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.039 -5.589 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.318 -5.124 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.866 -7.458 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.599 -8.010 -5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.043 -8.292 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.320 -6.829 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.805 -6.817 -6.571 1.00 0.00 H new ATOM 292 N ALA A 19 -5.260 -8.297 -2.894 1.00 0.00 N ATOM 293 CA ALA A 19 -6.414 -9.143 -3.157 1.00 0.00 C ATOM 294 C ALA A 19 -7.705 -8.378 -2.870 1.00 0.00 C ATOM 295 O ALA A 19 -8.679 -8.532 -3.606 1.00 0.00 O ATOM 296 CB ALA A 19 -6.339 -10.432 -2.330 1.00 0.00 C ATOM 0 H ALA A 19 -4.654 -8.634 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.411 -9.423 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.211 -11.051 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.434 -10.980 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.319 -10.183 -1.269 1.00 0.00 H new ATOM 302 N LEU A 20 -7.737 -7.548 -1.820 1.00 0.00 N ATOM 303 CA LEU A 20 -8.902 -6.706 -1.551 1.00 0.00 C ATOM 304 C LEU A 20 -9.070 -5.694 -2.681 1.00 0.00 C ATOM 305 O LEU A 20 -10.171 -5.536 -3.204 1.00 0.00 O ATOM 306 CB LEU A 20 -8.812 -6.029 -0.172 1.00 0.00 C ATOM 307 CG LEU A 20 -9.959 -5.008 0.039 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.539 -5.087 1.444 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.474 -3.568 -0.154 1.00 0.00 C ATOM 0 H LEU A 20 -6.975 -7.444 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.791 -7.335 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.851 -6.788 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.851 -5.523 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.716 -5.265 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.340 -4.355 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.937 -6.087 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.757 -4.876 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.305 -2.880 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.684 -3.351 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.088 -3.447 -1.166 1.00 0.00 H new ATOM 321 N LEU A 21 -7.993 -5.014 -3.077 1.00 0.00 N ATOM 322 CA LEU A 21 -8.066 -3.968 -4.088 1.00 0.00 C ATOM 323 C LEU A 21 -8.497 -4.529 -5.438 1.00 0.00 C ATOM 324 O LEU A 21 -9.239 -3.858 -6.150 1.00 0.00 O ATOM 325 CB LEU A 21 -6.713 -3.253 -4.222 1.00 0.00 C ATOM 326 CG LEU A 21 -6.252 -2.425 -3.008 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.906 -1.783 -3.350 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.213 -1.308 -2.590 1.00 0.00 C ATOM 0 H LEU A 21 -7.056 -5.173 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.818 -3.248 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.950 -4.002 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.760 -2.593 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.199 -3.119 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.560 -1.191 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.177 -2.562 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.021 -1.138 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.805 -0.780 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.340 -0.609 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.179 -1.739 -2.327 1.00 0.00 H new ATOM 340 N SER A 22 -8.093 -5.748 -5.786 1.00 0.00 N ATOM 341 CA SER A 22 -8.531 -6.428 -6.996 1.00 0.00 C ATOM 342 C SER A 22 -9.965 -6.952 -6.862 1.00 0.00 C ATOM 343 O SER A 22 -10.683 -6.997 -7.861 1.00 0.00 O ATOM 344 CB SER A 22 -7.567 -7.577 -7.301 1.00 0.00 C ATOM 345 OG SER A 22 -6.236 -7.097 -7.411 1.00 0.00 O ATOM 0 H SER A 22 -7.442 -6.297 -5.225 1.00 0.00 H new ATOM 0 HA SER A 22 -8.525 -5.713 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.625 -8.327 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.860 -8.068 -8.229 1.00 0.00 H new ATOM 0 HG SER A 22 -5.886 -6.895 -6.518 1.00 0.00 H new ATOM 351 N SER A 23 -10.430 -7.290 -5.653 1.00 0.00 N ATOM 352 CA SER A 23 -11.842 -7.571 -5.417 1.00 0.00 C ATOM 353 C SER A 23 -12.656 -6.294 -5.636 1.00 0.00 C ATOM 354 O SER A 23 -13.678 -6.326 -6.327 1.00 0.00 O ATOM 355 CB SER A 23 -12.067 -8.162 -4.016 1.00 0.00 C ATOM 356 OG SER A 23 -12.307 -9.556 -4.116 1.00 0.00 O ATOM 0 H SER A 23 -9.842 -7.374 -4.823 1.00 0.00 H new ATOM 0 HA SER A 23 -12.181 -8.324 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.195 -7.978 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.914 -7.671 -3.536 1.00 0.00 H new ATOM 0 HG SER A 23 -12.448 -9.929 -3.221 1.00 0.00 H new ATOM 362 N LYS A 24 -12.162 -5.130 -5.198 1.00 0.00 N ATOM 363 CA LYS A 24 -12.850 -3.879 -5.476 1.00 0.00 C ATOM 364 C LYS A 24 -12.656 -3.522 -6.960 1.00 0.00 C ATOM 365 O LYS A 24 -13.540 -2.926 -7.568 1.00 0.00 O ATOM 366 CB LYS A 24 -12.284 -2.807 -4.537 1.00 0.00 C ATOM 367 CG LYS A 24 -12.723 -2.924 -3.064 1.00 0.00 C ATOM 368 CD LYS A 24 -14.216 -2.610 -2.869 1.00 0.00 C ATOM 369 CE LYS A 24 -14.492 -2.001 -1.488 1.00 0.00 C ATOM 370 NZ LYS A 24 -15.806 -1.324 -1.419 1.00 0.00 N ATOM 0 H LYS A 24 -11.302 -5.035 -4.659 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.922 -3.958 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.196 -2.848 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.580 -1.827 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.517 -3.933 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.129 -2.242 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.547 -1.919 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.799 -3.524 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.452 -2.787 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.706 -1.286 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.800 -0.633 -0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.992 -0.834 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.551 -2.029 -1.249 1.00 0.00 H new ATOM 384 N GLY A 25 -11.578 -4.000 -7.583 1.00 0.00 N ATOM 385 CA GLY A 25 -11.236 -3.786 -8.979 1.00 0.00 C ATOM 386 C GLY A 25 -10.748 -2.367 -9.209 1.00 0.00 C ATOM 387 O GLY A 25 -11.013 -1.782 -10.261 1.00 0.00 O ATOM 0 H GLY A 25 -10.889 -4.575 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.463 -4.493 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.107 -3.980 -9.604 1.00 0.00 H new ATOM 391 N VAL A 26 -10.087 -1.782 -8.212 1.00 0.00 N ATOM 392 CA VAL A 26 -9.595 -0.417 -8.333 1.00 0.00 C ATOM 393 C VAL A 26 -8.324 -0.390 -9.178 1.00 0.00 C ATOM 394 O VAL A 26 -7.729 -1.431 -9.475 1.00 0.00 O ATOM 395 CB VAL A 26 -9.390 0.235 -6.959 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.632 0.121 -6.072 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.170 -0.314 -6.220 1.00 0.00 C ATOM 0 H VAL A 26 -9.882 -2.230 -7.319 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.351 0.179 -8.844 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.210 1.290 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.438 0.597 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.473 0.615 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.871 -0.931 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.075 0.184 -5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.290 -1.386 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.273 -0.131 -6.812 1.00 0.00 H new ATOM 407 N SER A 27 -7.884 0.817 -9.506 1.00 0.00 N ATOM 408 CA SER A 27 -6.649 1.086 -10.209 1.00 0.00 C ATOM 409 C SER A 27 -5.631 1.533 -9.149 1.00 0.00 C ATOM 410 O SER A 27 -5.902 2.490 -8.416 1.00 0.00 O ATOM 411 CB SER A 27 -6.907 2.141 -11.300 1.00 0.00 C ATOM 412 OG SER A 27 -8.273 2.214 -11.705 1.00 0.00 O ATOM 0 H SER A 27 -8.402 1.665 -9.278 1.00 0.00 H new ATOM 0 HA SER A 27 -6.252 0.212 -10.726 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.592 3.118 -10.933 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.290 1.913 -12.169 1.00 0.00 H new ATOM 0 HG SER A 27 -8.373 2.901 -12.397 1.00 0.00 H new ATOM 418 N PHE A 28 -4.498 0.847 -9.005 1.00 0.00 N ATOM 419 CA PHE A 28 -3.452 1.163 -8.026 1.00 0.00 C ATOM 420 C PHE A 28 -2.065 0.933 -8.642 1.00 0.00 C ATOM 421 O PHE A 28 -1.943 0.245 -9.655 1.00 0.00 O ATOM 422 CB PHE A 28 -3.649 0.312 -6.764 1.00 0.00 C ATOM 423 CG PHE A 28 -3.557 -1.197 -6.943 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.301 -1.831 -6.959 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.723 -1.979 -7.064 1.00 0.00 C ATOM 426 CE1 PHE A 28 -2.214 -3.225 -7.100 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.639 -3.380 -7.157 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.381 -4.006 -7.174 1.00 0.00 C ATOM 0 H PHE A 28 -4.274 0.035 -9.580 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.523 2.214 -7.745 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.904 0.615 -6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.627 0.547 -6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.400 -1.243 -6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.690 -1.498 -7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.246 -3.700 -7.152 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.540 -3.973 -7.215 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.311 -5.081 -7.244 1.00 0.00 H new ATOM 438 N GLN A 29 -1.013 1.453 -8.011 1.00 0.00 N ATOM 439 CA GLN A 29 0.385 1.241 -8.387 1.00 0.00 C ATOM 440 C GLN A 29 1.029 0.342 -7.348 1.00 0.00 C ATOM 441 O GLN A 29 0.774 0.503 -6.157 1.00 0.00 O ATOM 442 CB GLN A 29 1.104 2.599 -8.454 1.00 0.00 C ATOM 443 CG GLN A 29 2.631 2.621 -8.274 1.00 0.00 C ATOM 444 CD GLN A 29 3.385 2.127 -9.497 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.935 1.228 -10.203 1.00 0.00 O ATOM 446 NE2 GLN A 29 4.489 2.771 -9.822 1.00 0.00 N ATOM 0 H GLN A 29 -1.114 2.055 -7.194 1.00 0.00 H new ATOM 0 HA GLN A 29 0.454 0.767 -9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.876 3.049 -9.420 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.669 3.244 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.949 3.638 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.898 2.003 -7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.842 3.514 -9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.989 2.526 -10.676 1.00 0.00 H new ATOM 455 N GLU A 30 1.938 -0.524 -7.775 1.00 0.00 N ATOM 456 CA GLU A 30 2.726 -1.398 -6.932 1.00 0.00 C ATOM 457 C GLU A 30 4.194 -0.993 -7.070 1.00 0.00 C ATOM 458 O GLU A 30 4.633 -0.639 -8.166 1.00 0.00 O ATOM 459 CB GLU A 30 2.498 -2.848 -7.380 1.00 0.00 C ATOM 460 CG GLU A 30 3.099 -3.826 -6.364 1.00 0.00 C ATOM 461 CD GLU A 30 3.761 -5.058 -6.986 1.00 0.00 C ATOM 462 OE1 GLU A 30 4.655 -4.910 -7.852 1.00 0.00 O ATOM 463 OE2 GLU A 30 3.410 -6.195 -6.577 1.00 0.00 O ATOM 0 H GLU A 30 2.152 -0.638 -8.766 1.00 0.00 H new ATOM 0 HA GLU A 30 2.436 -1.315 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.430 -3.038 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.951 -3.008 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.838 -3.297 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.312 -4.155 -5.686 1.00 0.00 H new ATOM 470 N LEU A 31 4.966 -1.067 -5.986 1.00 0.00 N ATOM 471 CA LEU A 31 6.368 -0.669 -5.931 1.00 0.00 C ATOM 472 C LEU A 31 7.203 -1.781 -5.293 1.00 0.00 C ATOM 473 O LEU A 31 7.159 -1.947 -4.071 1.00 0.00 O ATOM 474 CB LEU A 31 6.498 0.624 -5.134 1.00 0.00 C ATOM 475 CG LEU A 31 5.848 1.808 -5.859 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.744 2.415 -5.006 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.915 2.841 -6.181 1.00 0.00 C ATOM 0 H LEU A 31 4.619 -1.418 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 31 6.738 -0.499 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.033 0.497 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.552 0.839 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 31 5.395 1.462 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.294 3.254 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.982 1.661 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.164 2.765 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.459 3.686 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.377 3.187 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.675 2.392 -6.821 1.00 0.00 H new ATOM 489 N PRO A 32 7.955 -2.562 -6.076 1.00 0.00 N ATOM 490 CA PRO A 32 8.685 -3.696 -5.549 1.00 0.00 C ATOM 491 C PRO A 32 9.929 -3.222 -4.798 1.00 0.00 C ATOM 492 O PRO A 32 10.613 -2.279 -5.206 1.00 0.00 O ATOM 493 CB PRO A 32 9.038 -4.535 -6.776 1.00 0.00 C ATOM 494 CG PRO A 32 9.173 -3.505 -7.897 1.00 0.00 C ATOM 495 CD PRO A 32 8.242 -2.362 -7.486 1.00 0.00 C ATOM 0 HA PRO A 32 8.108 -4.276 -4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.965 -5.089 -6.628 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.261 -5.267 -6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.202 -3.161 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.882 -3.926 -8.859 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.715 -1.395 -7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.325 -2.375 -8.076 1.00 0.00 H new ATOM 503 N ILE A 33 10.269 -3.925 -3.719 1.00 0.00 N ATOM 504 CA ILE A 33 11.507 -3.706 -2.973 1.00 0.00 C ATOM 505 C ILE A 33 12.519 -4.832 -3.286 1.00 0.00 C ATOM 506 O ILE A 33 13.608 -4.915 -2.710 1.00 0.00 O ATOM 507 CB ILE A 33 11.232 -3.444 -1.475 1.00 0.00 C ATOM 508 CG1 ILE A 33 10.030 -2.504 -1.216 1.00 0.00 C ATOM 509 CG2 ILE A 33 12.459 -2.740 -0.854 1.00 0.00 C ATOM 510 CD1 ILE A 33 9.503 -2.657 0.207 1.00 0.00 C ATOM 0 H ILE A 33 9.687 -4.670 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 33 11.988 -2.786 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 33 11.018 -4.420 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.331 -1.470 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.233 -2.724 -1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.274 -2.551 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 33 13.337 -3.378 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.634 -1.794 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.659 -1.983 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.179 -3.685 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.294 -2.412 0.916 1.00 0.00 H new ATOM 522 N ASP A 34 12.175 -5.690 -4.240 1.00 0.00 N ATOM 523 CA ASP A 34 12.852 -6.914 -4.605 1.00 0.00 C ATOM 524 C ASP A 34 14.122 -6.566 -5.371 1.00 0.00 C ATOM 525 O ASP A 34 14.072 -6.285 -6.570 1.00 0.00 O ATOM 526 CB ASP A 34 11.867 -7.774 -5.414 1.00 0.00 C ATOM 527 CG ASP A 34 10.624 -8.096 -4.584 1.00 0.00 C ATOM 528 OD1 ASP A 34 10.800 -8.466 -3.403 1.00 0.00 O ATOM 529 OD2 ASP A 34 9.482 -7.898 -5.067 1.00 0.00 O ATOM 0 H ASP A 34 11.351 -5.529 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 34 13.161 -7.492 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.577 -7.246 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.353 -8.699 -5.724 1.00 0.00 H new ATOM 534 N GLY A 35 15.259 -6.509 -4.677 1.00 0.00 N ATOM 535 CA GLY A 35 16.537 -6.079 -5.241 1.00 0.00 C ATOM 536 C GLY A 35 16.758 -4.566 -5.153 1.00 0.00 C ATOM 537 O GLY A 35 17.831 -4.069 -5.496 1.00 0.00 O ATOM 0 H GLY A 35 15.318 -6.765 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.347 -6.589 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.588 -6.387 -6.285 1.00 0.00 H new ATOM 541 N ASN A 36 15.787 -3.820 -4.629 1.00 0.00 N ATOM 542 CA ASN A 36 15.761 -2.355 -4.593 1.00 0.00 C ATOM 543 C ASN A 36 16.583 -1.913 -3.371 1.00 0.00 C ATOM 544 O ASN A 36 16.921 -2.725 -2.503 1.00 0.00 O ATOM 545 CB ASN A 36 14.266 -1.978 -4.504 1.00 0.00 C ATOM 546 CG ASN A 36 13.793 -0.566 -4.141 1.00 0.00 C ATOM 547 OD1 ASN A 36 14.553 0.382 -3.961 1.00 0.00 O ATOM 548 ND2 ASN A 36 12.489 -0.428 -3.958 1.00 0.00 N ATOM 0 H ASN A 36 14.961 -4.236 -4.199 1.00 0.00 H new ATOM 0 HA ASN A 36 16.198 -1.863 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.827 -2.215 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.817 -2.654 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.107 0.471 -3.665 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.866 -1.221 -4.110 1.00 0.00 H new ATOM 555 N ALA A 37 16.887 -0.625 -3.280 1.00 0.00 N ATOM 556 CA ALA A 37 17.582 0.041 -2.195 1.00 0.00 C ATOM 557 C ALA A 37 17.335 1.544 -2.319 1.00 0.00 C ATOM 558 O ALA A 37 16.915 2.149 -1.338 1.00 0.00 O ATOM 559 CB ALA A 37 19.086 -0.245 -2.254 1.00 0.00 C ATOM 0 H ALA A 37 16.633 0.028 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 37 17.207 -0.330 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.586 0.265 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.256 -1.319 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.488 0.115 -3.201 1.00 0.00 H new ATOM 565 N ALA A 38 17.483 2.146 -3.504 1.00 0.00 N ATOM 566 CA ALA A 38 17.324 3.589 -3.658 1.00 0.00 C ATOM 567 C ALA A 38 15.866 4.009 -3.436 1.00 0.00 C ATOM 568 O ALA A 38 15.593 4.994 -2.751 1.00 0.00 O ATOM 569 CB ALA A 38 17.836 4.018 -5.035 1.00 0.00 C ATOM 0 H ALA A 38 17.712 1.654 -4.367 1.00 0.00 H new ATOM 0 HA ALA A 38 17.918 4.097 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.716 5.096 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.890 3.758 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.266 3.506 -5.811 1.00 0.00 H new ATOM 575 N LYS A 39 14.897 3.241 -3.944 1.00 0.00 N ATOM 576 CA LYS A 39 13.489 3.520 -3.666 1.00 0.00 C ATOM 577 C LYS A 39 13.079 2.970 -2.301 1.00 0.00 C ATOM 578 O LYS A 39 12.061 3.383 -1.744 1.00 0.00 O ATOM 579 CB LYS A 39 12.601 3.027 -4.814 1.00 0.00 C ATOM 580 CG LYS A 39 12.856 3.862 -6.080 1.00 0.00 C ATOM 581 CD LYS A 39 11.838 3.591 -7.190 1.00 0.00 C ATOM 582 CE LYS A 39 10.460 4.155 -6.824 1.00 0.00 C ATOM 583 NZ LYS A 39 9.525 4.071 -7.962 1.00 0.00 N ATOM 0 H LYS A 39 15.061 2.431 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 39 13.346 4.599 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.806 1.976 -5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.552 3.098 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.830 4.921 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.858 3.649 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.183 4.040 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.761 2.518 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.053 3.605 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.562 5.194 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.602 4.460 -7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.903 4.617 -8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.410 3.077 -8.244 1.00 0.00 H new ATOM 597 N ARG A 40 13.841 2.050 -1.712 1.00 0.00 N ATOM 598 CA ARG A 40 13.635 1.668 -0.317 1.00 0.00 C ATOM 599 C ARG A 40 14.002 2.851 0.575 1.00 0.00 C ATOM 600 O ARG A 40 13.311 3.104 1.553 1.00 0.00 O ATOM 601 CB ARG A 40 14.443 0.414 0.037 1.00 0.00 C ATOM 602 CG ARG A 40 13.919 -0.243 1.324 1.00 0.00 C ATOM 603 CD ARG A 40 14.732 -1.506 1.613 1.00 0.00 C ATOM 604 NE ARG A 40 14.248 -2.248 2.792 1.00 0.00 N ATOM 605 CZ ARG A 40 14.541 -3.531 3.052 1.00 0.00 C ATOM 606 NH1 ARG A 40 15.181 -4.285 2.165 1.00 0.00 N ATOM 607 NH2 ARG A 40 14.201 -4.084 4.211 1.00 0.00 N ATOM 0 H ARG A 40 14.603 1.557 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 40 12.587 1.416 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.390 -0.299 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.493 0.679 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.997 0.453 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.864 -0.493 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.699 -2.159 0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.776 -1.232 1.767 1.00 0.00 H new ATOM 0 HE ARG A 40 13.651 -1.753 3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.459 -3.890 1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.394 -5.258 2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.711 -3.532 4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.429 -5.061 4.397 1.00 0.00 H new ATOM 621 N GLU A 41 15.063 3.586 0.240 1.00 0.00 N ATOM 622 CA GLU A 41 15.416 4.839 0.900 1.00 0.00 C ATOM 623 C GLU A 41 14.310 5.874 0.682 1.00 0.00 C ATOM 624 O GLU A 41 13.908 6.530 1.642 1.00 0.00 O ATOM 625 CB GLU A 41 16.786 5.348 0.436 1.00 0.00 C ATOM 626 CG GLU A 41 17.934 4.446 0.913 1.00 0.00 C ATOM 627 CD GLU A 41 19.295 4.826 0.318 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.387 5.264 -0.854 1.00 0.00 O ATOM 629 OE2 GLU A 41 20.319 4.652 1.015 1.00 0.00 O ATOM 0 H GLU A 41 15.707 3.323 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 41 15.501 4.660 1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.800 5.406 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.942 6.360 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.995 4.493 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.707 3.413 0.651 1.00 0.00 H new ATOM 636 N GLU A 42 13.736 5.949 -0.526 1.00 0.00 N ATOM 637 CA GLU A 42 12.564 6.781 -0.800 1.00 0.00 C ATOM 638 C GLU A 42 11.450 6.463 0.206 1.00 0.00 C ATOM 639 O GLU A 42 10.878 7.381 0.798 1.00 0.00 O ATOM 640 CB GLU A 42 12.090 6.585 -2.251 1.00 0.00 C ATOM 641 CG GLU A 42 11.085 7.630 -2.740 1.00 0.00 C ATOM 642 CD GLU A 42 11.770 8.957 -3.045 1.00 0.00 C ATOM 643 OE1 GLU A 42 12.716 8.983 -3.865 1.00 0.00 O ATOM 644 OE2 GLU A 42 11.420 9.980 -2.412 1.00 0.00 O ATOM 0 H GLU A 42 14.073 5.433 -1.339 1.00 0.00 H new ATOM 0 HA GLU A 42 12.835 7.830 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.959 6.601 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.640 5.597 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.583 7.263 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.316 7.781 -1.982 1.00 0.00 H new ATOM 651 N MET A 43 11.179 5.175 0.458 1.00 0.00 N ATOM 652 CA MET A 43 10.197 4.725 1.427 1.00 0.00 C ATOM 653 C MET A 43 10.512 5.161 2.855 1.00 0.00 C ATOM 654 O MET A 43 9.580 5.300 3.645 1.00 0.00 O ATOM 655 CB MET A 43 9.951 3.205 1.346 1.00 0.00 C ATOM 656 CG MET A 43 8.895 2.707 2.337 1.00 0.00 C ATOM 657 SD MET A 43 8.379 0.980 2.179 1.00 0.00 S ATOM 658 CE MET A 43 9.973 0.134 2.009 1.00 0.00 C ATOM 0 H MET A 43 11.652 4.409 -0.021 1.00 0.00 H new ATOM 0 HA MET A 43 9.269 5.225 1.151 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.639 2.948 0.334 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.889 2.682 1.532 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.279 2.856 3.346 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.011 3.336 2.236 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.929 -0.830 2.517 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.191 -0.022 0.953 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.758 0.744 2.455 1.00 0.00 H new ATOM 668 N ILE A 44 11.766 5.423 3.204 1.00 0.00 N ATOM 669 CA ILE A 44 12.092 5.973 4.520 1.00 0.00 C ATOM 670 C ILE A 44 11.474 7.367 4.597 1.00 0.00 C ATOM 671 O ILE A 44 10.693 7.653 5.507 1.00 0.00 O ATOM 672 CB ILE A 44 13.614 6.034 4.824 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.384 4.714 4.603 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.788 6.485 6.283 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.912 4.886 4.599 1.00 0.00 C ATOM 0 H ILE A 44 12.572 5.265 2.599 1.00 0.00 H new ATOM 0 HA ILE A 44 11.683 5.304 5.278 1.00 0.00 H new ATOM 0 HB ILE A 44 14.044 6.736 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.108 4.007 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.074 4.276 3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.850 6.536 6.524 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.338 7.469 6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.300 5.770 6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.387 3.918 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.199 5.568 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.235 5.294 5.557 1.00 0.00 H new ATOM 687 N LYS A 45 11.796 8.231 3.632 1.00 0.00 N ATOM 688 CA LYS A 45 11.307 9.604 3.633 1.00 0.00 C ATOM 689 C LYS A 45 9.785 9.639 3.507 1.00 0.00 C ATOM 690 O LYS A 45 9.141 10.476 4.141 1.00 0.00 O ATOM 691 CB LYS A 45 11.982 10.433 2.530 1.00 0.00 C ATOM 692 CG LYS A 45 13.425 10.858 2.837 1.00 0.00 C ATOM 693 CD LYS A 45 14.432 9.699 2.769 1.00 0.00 C ATOM 694 CE LYS A 45 15.861 10.206 2.572 1.00 0.00 C ATOM 695 NZ LYS A 45 16.070 10.714 1.201 1.00 0.00 N ATOM 0 H LYS A 45 12.395 8.000 2.840 1.00 0.00 H new ATOM 0 HA LYS A 45 11.571 10.057 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.977 9.855 1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.385 11.327 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.726 11.632 2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.461 11.302 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.376 9.114 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.166 9.032 1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.069 10.999 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.566 9.399 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.090 10.795 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.643 10.056 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.625 11.649 1.106 1.00 0.00 H new ATOM 709 N ARG A 46 9.207 8.731 2.717 1.00 0.00 N ATOM 710 CA ARG A 46 7.772 8.683 2.460 1.00 0.00 C ATOM 711 C ARG A 46 7.018 8.111 3.648 1.00 0.00 C ATOM 712 O ARG A 46 6.080 8.751 4.128 1.00 0.00 O ATOM 713 CB ARG A 46 7.458 7.922 1.151 1.00 0.00 C ATOM 714 CG ARG A 46 6.878 8.874 0.095 1.00 0.00 C ATOM 715 CD ARG A 46 6.697 8.188 -1.262 1.00 0.00 C ATOM 716 NE ARG A 46 6.375 9.177 -2.305 1.00 0.00 N ATOM 717 CZ ARG A 46 5.560 9.012 -3.353 1.00 0.00 C ATOM 718 NH1 ARG A 46 4.807 7.930 -3.470 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.496 9.943 -4.291 1.00 0.00 N ATOM 0 H ARG A 46 9.731 8.002 2.234 1.00 0.00 H new ATOM 0 HA ARG A 46 7.424 9.707 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.366 7.457 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.749 7.119 1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.916 9.254 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.538 9.734 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.608 7.653 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.900 7.447 -1.197 1.00 0.00 H new ATOM 0 HE ARG A 46 6.823 10.089 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.842 7.204 -2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.192 7.822 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.067 10.784 -4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.875 9.819 -5.091 1.00 0.00 H new ATOM 733 N SER A 47 7.368 6.900 4.089 1.00 0.00 N ATOM 734 CA SER A 47 6.562 6.177 5.062 1.00 0.00 C ATOM 735 C SER A 47 7.005 6.474 6.488 1.00 0.00 C ATOM 736 O SER A 47 6.156 6.614 7.365 1.00 0.00 O ATOM 737 CB SER A 47 6.579 4.661 4.804 1.00 0.00 C ATOM 738 OG SER A 47 7.820 4.035 5.086 1.00 0.00 O ATOM 0 H SER A 47 8.205 6.404 3.784 1.00 0.00 H new ATOM 0 HA SER A 47 5.537 6.529 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.803 4.192 5.410 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.322 4.479 3.760 1.00 0.00 H new ATOM 0 HG SER A 47 8.553 4.643 4.855 1.00 0.00 H new ATOM 744 N GLY A 48 8.313 6.594 6.732 1.00 0.00 N ATOM 745 CA GLY A 48 8.851 6.631 8.084 1.00 0.00 C ATOM 746 C GLY A 48 8.671 5.274 8.764 1.00 0.00 C ATOM 747 O GLY A 48 8.291 5.229 9.934 1.00 0.00 O ATOM 0 H GLY A 48 9.020 6.667 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.909 6.893 8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.347 7.405 8.662 1.00 0.00 H new ATOM 751 N ARG A 49 8.852 4.178 8.013 1.00 0.00 N ATOM 752 CA ARG A 49 8.705 2.806 8.476 1.00 0.00 C ATOM 753 C ARG A 49 9.671 1.878 7.734 1.00 0.00 C ATOM 754 O ARG A 49 10.477 1.222 8.386 1.00 0.00 O ATOM 755 CB ARG A 49 7.245 2.357 8.324 1.00 0.00 C ATOM 756 CG ARG A 49 6.409 2.560 9.596 1.00 0.00 C ATOM 757 CD ARG A 49 5.056 1.851 9.469 1.00 0.00 C ATOM 758 NE ARG A 49 4.423 1.677 10.785 1.00 0.00 N ATOM 759 CZ ARG A 49 4.129 0.517 11.385 1.00 0.00 C ATOM 760 NH1 ARG A 49 4.246 -0.639 10.741 1.00 0.00 N ATOM 761 NH2 ARG A 49 3.716 0.523 12.643 1.00 0.00 N ATOM 0 H ARG A 49 9.115 4.234 7.029 1.00 0.00 H new ATOM 0 HA ARG A 49 8.962 2.754 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.786 2.910 7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.224 1.303 8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.950 2.172 10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.253 3.625 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.399 2.429 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.195 0.878 8.997 1.00 0.00 H new ATOM 0 HE ARG A 49 4.183 2.528 11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.565 -0.653 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.017 -1.513 11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.624 1.406 13.146 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.489 -0.355 13.110 1.00 0.00 H new ATOM 775 N THR A 50 9.601 1.808 6.394 1.00 0.00 N ATOM 776 CA THR A 50 10.549 1.108 5.523 1.00 0.00 C ATOM 777 C THR A 50 10.232 -0.398 5.420 1.00 0.00 C ATOM 778 O THR A 50 10.979 -1.178 4.823 1.00 0.00 O ATOM 779 CB THR A 50 11.999 1.500 5.881 1.00 0.00 C ATOM 780 OG1 THR A 50 12.027 2.894 6.134 1.00 0.00 O ATOM 781 CG2 THR A 50 12.984 1.259 4.737 1.00 0.00 C ATOM 0 H THR A 50 8.850 2.257 5.870 1.00 0.00 H new ATOM 0 HA THR A 50 10.431 1.440 4.492 1.00 0.00 H new ATOM 0 HB THR A 50 12.292 0.890 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.728 3.094 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.985 1.554 5.051 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.983 0.201 4.473 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.687 1.849 3.870 1.00 0.00 H new ATOM 789 N THR A 51 9.063 -0.786 5.924 1.00 0.00 N ATOM 790 CA THR A 51 8.499 -2.126 5.973 1.00 0.00 C ATOM 791 C THR A 51 7.330 -2.186 4.991 1.00 0.00 C ATOM 792 O THR A 51 6.938 -1.146 4.450 1.00 0.00 O ATOM 793 CB THR A 51 8.110 -2.378 7.441 1.00 0.00 C ATOM 794 OG1 THR A 51 7.137 -1.450 7.892 1.00 0.00 O ATOM 795 CG2 THR A 51 9.332 -2.166 8.339 1.00 0.00 C ATOM 0 H THR A 51 8.431 -0.105 6.346 1.00 0.00 H new ATOM 0 HA THR A 51 9.189 -2.913 5.669 1.00 0.00 H new ATOM 0 HB THR A 51 7.722 -3.395 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.912 -1.640 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.055 -2.345 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.121 -2.860 8.049 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.691 -1.142 8.230 1.00 0.00 H new ATOM 803 N VAL A 52 6.764 -3.370 4.748 1.00 0.00 N ATOM 804 CA VAL A 52 5.611 -3.504 3.851 1.00 0.00 C ATOM 805 C VAL A 52 4.573 -4.508 4.372 1.00 0.00 C ATOM 806 O VAL A 52 4.895 -5.255 5.299 1.00 0.00 O ATOM 807 CB VAL A 52 6.081 -3.879 2.444 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.498 -2.624 1.696 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.146 -4.950 2.367 1.00 0.00 C ATOM 0 H VAL A 52 7.083 -4.248 5.158 1.00 0.00 H new ATOM 0 HA VAL A 52 5.111 -2.536 3.814 1.00 0.00 H new ATOM 0 HB VAL A 52 5.221 -4.344 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.833 -2.892 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.649 -1.944 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.312 -2.135 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.402 -5.134 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.034 -4.619 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.771 -5.869 2.816 1.00 0.00 H new ATOM 819 N PRO A 53 3.338 -4.541 3.824 1.00 0.00 N ATOM 820 CA PRO A 53 2.806 -3.610 2.827 1.00 0.00 C ATOM 821 C PRO A 53 2.746 -2.223 3.419 1.00 0.00 C ATOM 822 O PRO A 53 2.522 -2.085 4.619 1.00 0.00 O ATOM 823 CB PRO A 53 1.387 -4.070 2.528 1.00 0.00 C ATOM 824 CG PRO A 53 0.969 -4.723 3.836 1.00 0.00 C ATOM 825 CD PRO A 53 2.262 -5.383 4.316 1.00 0.00 C ATOM 0 HA PRO A 53 3.428 -3.590 1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.737 -3.235 2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.355 -4.773 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.599 -3.990 4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.174 -5.453 3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.286 -5.453 5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.351 -6.398 3.929 1.00 0.00 H new ATOM 833 N GLN A 54 2.917 -1.206 2.585 1.00 0.00 N ATOM 834 CA GLN A 54 2.646 0.147 3.003 1.00 0.00 C ATOM 835 C GLN A 54 1.932 0.836 1.870 1.00 0.00 C ATOM 836 O GLN A 54 2.514 1.053 0.807 1.00 0.00 O ATOM 837 CB GLN A 54 3.890 0.862 3.511 1.00 0.00 C ATOM 838 CG GLN A 54 4.137 0.413 4.960 1.00 0.00 C ATOM 839 CD GLN A 54 5.022 1.414 5.644 1.00 0.00 C ATOM 840 OE1 GLN A 54 4.544 2.276 6.368 1.00 0.00 O ATOM 841 NE2 GLN A 54 6.291 1.443 5.316 1.00 0.00 N ATOM 0 H GLN A 54 3.240 -1.299 1.622 1.00 0.00 H new ATOM 0 HA GLN A 54 1.992 0.161 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.750 0.622 2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.754 1.943 3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.190 0.324 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.604 -0.572 4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.678 0.718 4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.891 2.190 5.665 1.00 0.00 H new ATOM 850 N ILE A 55 0.643 1.065 2.100 1.00 0.00 N ATOM 851 CA ILE A 55 -0.283 1.637 1.155 1.00 0.00 C ATOM 852 C ILE A 55 -0.327 3.137 1.423 1.00 0.00 C ATOM 853 O ILE A 55 -0.232 3.608 2.565 1.00 0.00 O ATOM 854 CB ILE A 55 -1.685 0.993 1.248 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.683 -0.549 1.380 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.508 1.334 -0.010 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.405 -1.102 2.781 1.00 0.00 C ATOM 0 H ILE A 55 0.205 0.843 2.994 1.00 0.00 H new ATOM 0 HA ILE A 55 0.052 1.442 0.136 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.117 1.406 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.652 -0.924 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.935 -0.951 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.494 0.876 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.616 2.416 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.997 0.952 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.428 -2.191 2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.423 -0.768 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.166 -0.740 3.473 1.00 0.00 H new ATOM 869 N PHE A 56 -0.499 3.871 0.342 1.00 0.00 N ATOM 870 CA PHE A 56 -0.620 5.296 0.233 1.00 0.00 C ATOM 871 C PHE A 56 -1.891 5.491 -0.581 1.00 0.00 C ATOM 872 O PHE A 56 -1.990 4.913 -1.662 1.00 0.00 O ATOM 873 CB PHE A 56 0.605 5.827 -0.515 1.00 0.00 C ATOM 874 CG PHE A 56 1.921 5.748 0.241 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.524 4.500 0.495 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.566 6.924 0.667 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.695 4.418 1.264 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.777 6.839 1.374 1.00 0.00 C ATOM 879 CZ PHE A 56 4.314 5.591 1.723 1.00 0.00 C ATOM 0 H PHE A 56 -0.563 3.428 -0.575 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.670 5.819 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.708 5.272 -1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.422 6.868 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.082 3.600 0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.131 7.889 0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.119 3.454 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.299 7.743 1.651 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.198 5.533 2.341 1.00 0.00 H new ATOM 889 N ILE A 57 -2.866 6.240 -0.075 1.00 0.00 N ATOM 890 CA ILE A 57 -4.124 6.503 -0.757 1.00 0.00 C ATOM 891 C ILE A 57 -4.199 8.016 -0.901 1.00 0.00 C ATOM 892 O ILE A 57 -4.177 8.717 0.106 1.00 0.00 O ATOM 893 CB ILE A 57 -5.313 5.928 0.044 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.227 4.412 0.332 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.638 6.257 -0.659 1.00 0.00 C ATOM 896 CD1 ILE A 57 -5.375 3.520 -0.898 1.00 0.00 C ATOM 0 H ILE A 57 -2.800 6.689 0.839 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.174 6.020 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.267 6.414 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.268 4.200 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.002 4.148 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.467 5.846 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.751 7.338 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.638 5.821 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.302 2.474 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.345 3.698 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.584 3.750 -1.612 1.00 0.00 H new ATOM 908 N ASP A 58 -4.234 8.532 -2.128 1.00 0.00 N ATOM 909 CA ASP A 58 -4.148 9.945 -2.447 1.00 0.00 C ATOM 910 C ASP A 58 -2.968 10.590 -1.723 1.00 0.00 C ATOM 911 O ASP A 58 -3.085 11.574 -0.988 1.00 0.00 O ATOM 912 CB ASP A 58 -5.527 10.602 -2.316 1.00 0.00 C ATOM 913 CG ASP A 58 -6.145 10.925 -3.678 1.00 0.00 C ATOM 914 OD1 ASP A 58 -5.902 10.183 -4.659 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.817 11.976 -3.756 1.00 0.00 O ATOM 0 H ASP A 58 -4.327 7.947 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.898 10.110 -3.495 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.193 9.938 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.437 11.519 -1.733 1.00 0.00 H new ATOM 920 N ALA A 59 -1.808 9.948 -1.921 1.00 0.00 N ATOM 921 CA ALA A 59 -0.497 10.235 -1.344 1.00 0.00 C ATOM 922 C ALA A 59 -0.445 10.138 0.185 1.00 0.00 C ATOM 923 O ALA A 59 0.605 10.384 0.785 1.00 0.00 O ATOM 924 CB ALA A 59 -0.009 11.599 -1.834 1.00 0.00 C ATOM 0 H ALA A 59 -1.765 9.143 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 59 0.177 9.453 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.969 11.812 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.068 11.589 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.716 12.370 -1.528 1.00 0.00 H new ATOM 930 N GLN A 60 -1.557 9.801 0.830 1.00 0.00 N ATOM 931 CA GLN A 60 -1.704 9.745 2.270 1.00 0.00 C ATOM 932 C GLN A 60 -1.254 8.365 2.715 1.00 0.00 C ATOM 933 O GLN A 60 -1.898 7.363 2.406 1.00 0.00 O ATOM 934 CB GLN A 60 -3.163 10.043 2.623 1.00 0.00 C ATOM 935 CG GLN A 60 -3.338 10.653 4.018 1.00 0.00 C ATOM 936 CD GLN A 60 -4.752 11.196 4.227 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.346 11.800 3.208 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 -5.311 11.094 5.316 1.00 0.00 N flip ATOM 0 H GLN A 60 -2.414 9.550 0.337 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.094 10.487 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.577 10.726 1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.740 9.120 2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.123 9.898 4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.616 11.457 4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.839 10.626 6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.247 11.477 5.447 1.00 0.00 H new ATOM 947 N HIS A 61 -0.099 8.293 3.363 1.00 0.00 N ATOM 948 CA HIS A 61 0.460 7.064 3.884 1.00 0.00 C ATOM 949 C HIS A 61 -0.477 6.503 4.953 1.00 0.00 C ATOM 950 O HIS A 61 -0.581 7.057 6.048 1.00 0.00 O ATOM 951 CB HIS A 61 1.846 7.372 4.445 1.00 0.00 C ATOM 952 CG HIS A 61 2.387 6.266 5.299 1.00 0.00 C ATOM 953 ND1 HIS A 61 2.912 6.456 6.560 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.304 4.923 5.044 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.187 5.244 7.060 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.841 4.308 6.159 1.00 0.00 N ATOM 0 H HIS A 61 0.485 9.110 3.542 1.00 0.00 H new ATOM 0 HA HIS A 61 0.561 6.309 3.104 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.534 7.557 3.620 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.799 8.289 5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.905 4.447 4.161 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.618 5.050 8.031 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.957 3.302 6.280 1.00 0.00 H new ATOM 965 N ILE A 62 -1.149 5.400 4.645 1.00 0.00 N ATOM 966 CA ILE A 62 -2.072 4.739 5.548 1.00 0.00 C ATOM 967 C ILE A 62 -1.282 3.925 6.570 1.00 0.00 C ATOM 968 O ILE A 62 -1.419 4.152 7.769 1.00 0.00 O ATOM 969 CB ILE A 62 -3.046 3.886 4.706 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.672 4.698 3.554 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.146 3.270 5.578 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.326 6.015 3.990 1.00 0.00 C ATOM 0 H ILE A 62 -1.063 4.934 3.742 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.667 5.455 6.115 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.458 3.079 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.899 4.917 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.421 4.082 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.814 2.676 4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.694 2.631 6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.713 4.064 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.740 6.521 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.124 5.806 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.579 6.654 4.460 1.00 0.00 H new ATOM 984 N GLY A 63 -0.437 3.014 6.092 1.00 0.00 N ATOM 985 CA GLY A 63 0.231 1.989 6.878 1.00 0.00 C ATOM 986 C GLY A 63 -0.010 0.682 6.139 1.00 0.00 C ATOM 987 O GLY A 63 0.027 0.702 4.906 1.00 0.00 O ATOM 0 H GLY A 63 -0.191 2.972 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.297 2.197 6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.172 1.947 7.890 1.00 0.00 H new ATOM 991 N GLY A 64 -0.240 -0.423 6.845 1.00 0.00 N ATOM 992 CA GLY A 64 -0.248 -1.760 6.261 1.00 0.00 C ATOM 993 C GLY A 64 -1.646 -2.279 5.963 1.00 0.00 C ATOM 994 O GLY A 64 -2.603 -1.508 5.892 1.00 0.00 O ATOM 0 H GLY A 64 -0.428 -0.414 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.332 -1.749 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.250 -2.449 6.943 1.00 0.00 H new ATOM 998 N TYR A 65 -1.762 -3.588 5.706 1.00 0.00 N ATOM 999 CA TYR A 65 -3.024 -4.177 5.269 1.00 0.00 C ATOM 1000 C TYR A 65 -4.122 -3.943 6.289 1.00 0.00 C ATOM 1001 O TYR A 65 -5.227 -3.615 5.891 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.913 -5.676 4.956 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.256 -6.379 4.858 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.095 -6.115 3.765 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.694 -7.253 5.871 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.297 -6.818 3.592 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.918 -7.928 5.737 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.706 -7.741 4.581 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.834 -8.474 4.407 1.00 0.00 O ATOM 0 H TYR A 65 -0.995 -4.255 5.794 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.282 -3.670 4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.376 -5.803 4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.316 -6.157 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.812 -5.360 3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.088 -7.404 6.752 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.903 -6.656 2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.257 -8.591 6.519 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.619 -7.894 4.502 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.843 -4.109 7.577 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.870 -3.967 8.608 1.00 0.00 C ATOM 1021 C ASP A 66 -5.374 -2.513 8.646 1.00 0.00 C ATOM 1022 O ASP A 66 -6.568 -2.264 8.780 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.264 -4.440 9.933 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.056 -4.080 11.185 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.301 -4.210 11.192 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.399 -3.858 12.229 1.00 0.00 O ATOM 0 H ASP A 66 -2.916 -4.342 7.934 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.747 -4.580 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.152 -5.524 9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.263 -4.019 10.025 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.479 -1.549 8.415 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.754 -0.111 8.407 1.00 0.00 C ATOM 1033 C ASP A 67 -5.628 0.277 7.208 1.00 0.00 C ATOM 1034 O ASP A 67 -6.593 1.039 7.316 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.423 0.657 8.320 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.457 0.360 9.459 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -1.807 -0.712 9.424 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.314 1.202 10.368 1.00 0.00 O ATOM 0 H ASP A 67 -3.500 -1.759 8.220 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.286 0.143 9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.938 0.415 7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.633 1.726 8.306 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.257 -0.247 6.043 1.00 0.00 N ATOM 1044 CA LEU A 68 -5.955 -0.151 4.762 1.00 0.00 C ATOM 1045 C LEU A 68 -7.325 -0.804 4.828 1.00 0.00 C ATOM 1046 O LEU A 68 -8.322 -0.237 4.388 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.056 -0.838 3.715 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.567 -1.045 2.276 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.511 -2.241 2.095 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.162 0.228 1.681 1.00 0.00 C ATOM 0 H LEU A 68 -4.397 -0.790 5.963 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.131 0.891 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.134 -0.261 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.791 -1.819 4.109 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.671 -1.297 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.818 -2.307 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.995 -3.158 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.391 -2.109 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.507 0.029 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.002 0.557 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.402 1.009 1.659 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.376 -2.017 5.353 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.587 -2.812 5.384 1.00 0.00 C ATOM 1064 C TYR A 69 -9.568 -2.170 6.368 1.00 0.00 C ATOM 1065 O TYR A 69 -10.777 -2.256 6.165 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.232 -4.243 5.783 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.387 -5.212 5.694 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.333 -5.351 6.722 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.501 -5.992 4.535 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.374 -6.286 6.583 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.534 -6.923 4.383 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.492 -7.060 5.406 1.00 0.00 C ATOM 1073 OH TYR A 69 -12.524 -7.928 5.242 1.00 0.00 O ATOM 0 H TYR A 69 -6.570 -2.479 5.773 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.062 -2.847 4.403 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.424 -4.598 5.143 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.852 -4.240 6.804 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.262 -4.744 7.613 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.777 -5.872 3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.089 -6.414 7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.596 -7.530 3.492 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.443 -8.372 4.372 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.064 -1.485 7.402 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.871 -0.650 8.268 1.00 0.00 C ATOM 1085 C ALA A 70 -10.414 0.565 7.507 1.00 0.00 C ATOM 1086 O ALA A 70 -11.586 0.897 7.664 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.055 -0.229 9.492 1.00 0.00 C ATOM 0 H ALA A 70 -8.076 -1.502 7.654 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.731 -1.224 8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.667 0.399 10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.738 -1.116 10.041 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.177 0.331 9.169 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.599 1.249 6.692 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.063 2.342 5.842 1.00 0.00 C ATOM 1095 C LEU A 71 -11.199 1.868 4.911 1.00 0.00 C ATOM 1096 O LEU A 71 -12.168 2.594 4.680 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.858 2.958 5.120 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.199 4.079 4.122 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.958 5.238 4.782 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -7.901 4.617 3.510 1.00 0.00 C ATOM 0 H LEU A 71 -8.601 1.056 6.607 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.509 3.137 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.170 3.354 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.330 2.167 4.588 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.846 3.653 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.175 6.003 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.892 4.868 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.347 5.668 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.135 5.412 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.262 5.012 4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.381 3.811 2.992 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.119 0.637 4.398 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.204 -0.017 3.669 1.00 0.00 C ATOM 1114 C ASP A 72 -13.407 -0.307 4.571 1.00 0.00 C ATOM 1115 O ASP A 72 -14.544 -0.072 4.172 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.711 -1.298 2.984 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.876 -2.155 2.488 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.578 -1.750 1.536 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.102 -3.244 3.059 1.00 0.00 O ATOM 0 H ASP A 72 -10.283 0.059 4.480 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.538 0.677 2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.067 -1.037 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.106 -1.875 3.683 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.164 -0.751 5.803 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.194 -1.149 6.765 1.00 0.00 C ATOM 1126 C ALA A 73 -15.062 0.029 7.200 1.00 0.00 C ATOM 1127 O ALA A 73 -16.221 -0.149 7.579 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.541 -1.749 8.013 1.00 0.00 C ATOM 0 H ALA A 73 -12.218 -0.847 6.172 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.826 -1.883 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.314 -2.042 8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.956 -2.624 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.888 -1.008 8.474 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.506 1.236 7.154 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.209 2.486 7.411 1.00 0.00 C ATOM 1136 C ARG A 74 -15.830 3.072 6.153 1.00 0.00 C ATOM 1137 O ARG A 74 -16.347 4.187 6.221 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.293 3.448 8.190 1.00 0.00 C ATOM 1139 CG ARG A 74 -13.183 4.032 7.317 1.00 0.00 C ATOM 1140 CD ARG A 74 -12.293 5.017 8.067 1.00 0.00 C ATOM 1141 NE ARG A 74 -12.604 6.416 7.742 1.00 0.00 N ATOM 1142 CZ ARG A 74 -11.767 7.434 7.966 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -10.604 7.214 8.572 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -12.079 8.660 7.575 1.00 0.00 N ATOM 0 H ARG A 74 -13.521 1.374 6.929 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.069 2.290 8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.891 4.260 8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.848 2.919 9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.569 3.220 6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.629 4.534 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.409 4.862 9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.249 4.815 7.826 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.510 6.622 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.352 6.270 8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.964 7.989 8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.964 8.834 7.099 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.434 9.431 7.750 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.742 2.377 5.019 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.288 2.843 3.751 1.00 0.00 C ATOM 1160 C GLY A 75 -15.549 4.067 3.222 1.00 0.00 C ATOM 1161 O GLY A 75 -16.085 4.787 2.381 1.00 0.00 O ATOM 0 H GLY A 75 -15.285 1.467 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.231 2.040 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.343 3.084 3.878 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.335 4.321 3.723 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.562 5.516 3.431 1.00 0.00 C ATOM 1167 C GLY A 76 -12.510 5.285 2.357 1.00 0.00 C ATOM 1168 O GLY A 76 -11.978 6.260 1.830 1.00 0.00 O ATOM 0 H GLY A 76 -13.858 3.680 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.236 6.310 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.075 5.861 4.343 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.236 4.027 2.000 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.278 3.688 0.956 1.00 0.00 C ATOM 1174 C LEU A 77 -11.877 4.010 -0.409 1.00 0.00 C ATOM 1175 O LEU A 77 -11.252 4.681 -1.226 1.00 0.00 O ATOM 1176 CB LEU A 77 -10.936 2.189 1.052 1.00 0.00 C ATOM 1177 CG LEU A 77 -9.827 1.765 0.079 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.505 2.460 0.430 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.617 0.250 0.140 1.00 0.00 C ATOM 0 H LEU A 77 -12.677 3.215 2.432 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.366 4.271 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.626 1.957 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.833 1.603 0.850 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.135 2.055 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.732 2.146 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.634 3.541 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.208 2.188 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.828 -0.036 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.331 -0.037 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.542 -0.257 -0.133 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.106 3.548 -0.627 1.00 0.00 N ATOM 1192 CA ASP A 78 -13.851 3.684 -1.872 1.00 0.00 C ATOM 1193 C ASP A 78 -13.944 5.147 -2.341 1.00 0.00 C ATOM 1194 O ASP A 78 -13.553 5.396 -3.473 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.238 3.030 -1.723 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.358 1.665 -2.406 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -14.347 1.013 -2.747 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.496 1.173 -2.574 1.00 0.00 O ATOM 0 H ASP A 78 -13.630 3.048 0.091 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.306 3.159 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.463 2.915 -0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -15.991 3.700 -2.138 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.373 6.143 -1.538 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.480 7.536 -1.987 1.00 0.00 C ATOM 1205 C PRO A 79 -13.139 8.224 -2.266 1.00 0.00 C ATOM 1206 O PRO A 79 -13.125 9.361 -2.756 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.232 8.276 -0.879 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.028 7.423 0.363 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.900 6.011 -0.195 1.00 0.00 C ATOM 0 HA PRO A 79 -14.996 7.555 -2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.838 9.282 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.290 8.379 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.135 7.720 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.869 7.508 1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.236 5.408 0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.868 5.510 -0.206 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.019 7.587 -1.922 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.699 8.040 -2.332 1.00 0.00 C ATOM 1219 C LEU A 80 -10.331 7.364 -3.654 1.00 0.00 C ATOM 1220 O LEU A 80 -9.904 8.049 -4.583 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.669 7.743 -1.230 1.00 0.00 C ATOM 1222 CG LEU A 80 -9.860 8.585 0.051 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.122 7.969 1.245 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.353 10.019 -0.139 1.00 0.00 C ATOM 0 H LEU A 80 -12.007 6.742 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.702 9.119 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.725 6.686 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.669 7.921 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.932 8.598 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.279 8.588 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.506 6.966 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.056 7.914 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.503 10.583 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.291 10.000 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.904 10.495 -0.950 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.480 6.037 -3.739 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.055 5.211 -4.870 1.00 0.00 C ATOM 1238 C LEU A 81 -10.996 5.133 -6.067 1.00 0.00 C ATOM 1239 O LEU A 81 -10.512 4.815 -7.154 1.00 0.00 O ATOM 1240 CB LEU A 81 -9.783 3.767 -4.400 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.296 3.518 -4.119 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.108 2.278 -3.249 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.541 3.331 -5.445 1.00 0.00 C ATOM 0 H LEU A 81 -10.915 5.492 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.163 5.727 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.360 3.566 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.129 3.068 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.898 4.382 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.045 2.122 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.626 2.417 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.518 1.408 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.485 3.154 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.954 2.477 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.647 4.229 -6.054 1.00 0.00 H new ATOM 1255 N LYS A 82 -12.289 5.400 -5.916 1.00 0.00 N ATOM 1256 CA LYS A 82 -13.303 5.122 -6.928 1.00 0.00 C ATOM 1257 C LYS A 82 -14.198 6.330 -7.080 1.00 0.00 C ATOM 1258 O LYS A 82 -14.173 7.245 -6.231 1.00 0.00 O ATOM 1259 CB LYS A 82 -14.115 3.874 -6.510 1.00 0.00 C ATOM 1260 CG LYS A 82 -14.142 2.736 -7.545 1.00 0.00 C ATOM 1261 CD LYS A 82 -14.999 2.987 -8.795 1.00 0.00 C ATOM 1262 CE LYS A 82 -14.255 3.823 -9.837 1.00 0.00 C ATOM 1263 NZ LYS A 82 -15.041 4.011 -11.068 1.00 0.00 N ATOM 1264 OXT LYS A 82 -14.845 6.435 -8.140 1.00 0.00 O ATOM 0 H LYS A 82 -12.669 5.824 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.832 4.918 -7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.703 3.487 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.140 4.180 -6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.119 2.536 -7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.505 1.833 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.288 2.032 -9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.918 3.498 -8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.012 4.797 -9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.311 3.337 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.496 4.583 -11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.252 3.084 -11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.931 4.498 -10.841 1.00 0.00 H new TER 1278 LYS A 82