USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 676 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 67 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 CYS SG : rot -158:sc= -0.0497 USER MOD Set 1.3: A 74 THR OG1 : rot -116:sc= -0.613 USER MOD Set 2.1: A 38 SER OG : rot 120:sc= -1.19 USER MOD Set 2.2: A 40 CYS SG : rot -68:sc= 1.62 USER MOD Set 2.3: A 42 SER OG : rot 68:sc= 1.54 USER MOD Single : A 3 THR OG1 : rot 32:sc= 0.139 USER MOD Single : A 8 HIS : no HE2:sc= -13.5! C(o=-14!,f=-16!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0453 K(o=-0.045,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= 0.679 (180deg=0.16) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -129:sc= -0.142 (180deg=-1.12) USER MOD Single : A 37 HIS : no HE2:sc= -0.859 X(o=-0.86,f=-0.69) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc=-0.00746 (180deg=-0.0918) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.979! USER MOD Single : A 84 HIS : no HD1:sc= -6.78! C(o=-6.8!,f=-7.4!) USER MOD Single : A 87 LYS NZ :NH3+ 140:sc= -1.14 (180deg=-2.06) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -16.757 -1.834 0.531 1.00 0.00 N ATOM 36 CA THR A 3 -15.717 -2.116 1.565 1.00 0.00 C ATOM 37 C THR A 3 -14.574 -2.936 0.953 1.00 0.00 C ATOM 38 O THR A 3 -14.773 -3.673 0.007 1.00 0.00 O ATOM 39 CB THR A 3 -16.442 -2.924 2.643 1.00 0.00 C ATOM 40 OG1 THR A 3 -17.466 -2.126 3.222 1.00 0.00 O ATOM 41 CG2 THR A 3 -15.447 -3.347 3.725 1.00 0.00 C ATOM 0 HA THR A 3 -15.274 -1.205 1.968 1.00 0.00 H new ATOM 0 HB THR A 3 -16.884 -3.814 2.194 1.00 0.00 H new ATOM 0 HG1 THR A 3 -17.828 -1.517 2.545 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.966 -3.922 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.664 -3.960 3.279 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.001 -2.460 4.176 1.00 0.00 H new ATOM 49 N ALA A 4 -13.370 -2.785 1.447 1.00 0.00 N ATOM 50 CA ALA A 4 -12.227 -3.533 0.836 1.00 0.00 C ATOM 51 C ALA A 4 -11.117 -3.763 1.864 1.00 0.00 C ATOM 52 O ALA A 4 -10.942 -2.981 2.774 1.00 0.00 O ATOM 53 CB ALA A 4 -11.725 -2.625 -0.289 1.00 0.00 C ATOM 0 H ALA A 4 -13.130 -2.185 2.236 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.529 -4.517 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.883 -3.100 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.528 -2.457 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.406 -1.670 0.129 1.00 0.00 H new ATOM 59 N ALA A 5 -10.280 -4.748 1.646 1.00 0.00 N ATOM 60 CA ALA A 5 -9.088 -4.915 2.530 1.00 0.00 C ATOM 61 C ALA A 5 -7.837 -4.432 1.794 1.00 0.00 C ATOM 62 O ALA A 5 -7.698 -4.638 0.608 1.00 0.00 O ATOM 63 CB ALA A 5 -8.999 -6.416 2.810 1.00 0.00 C ATOM 0 H ALA A 5 -10.370 -5.438 0.900 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.169 -4.341 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.144 -6.616 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.912 -6.749 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.878 -6.955 1.870 1.00 0.00 H new ATOM 69 N ALA A 6 -6.947 -3.750 2.460 1.00 0.00 N ATOM 70 CA ALA A 6 -5.750 -3.229 1.737 1.00 0.00 C ATOM 71 C ALA A 6 -4.531 -3.140 2.662 1.00 0.00 C ATOM 72 O ALA A 6 -4.562 -2.491 3.689 1.00 0.00 O ATOM 73 CB ALA A 6 -6.161 -1.841 1.245 1.00 0.00 C ATOM 0 H ALA A 6 -6.993 -3.533 3.456 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.456 -3.887 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.332 -1.388 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.024 -1.930 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.420 -1.215 2.098 1.00 0.00 H new ATOM 79 N LEU A 7 -3.418 -3.663 2.219 1.00 0.00 N ATOM 80 CA LEU A 7 -2.142 -3.475 2.975 1.00 0.00 C ATOM 81 C LEU A 7 -1.308 -2.374 2.316 1.00 0.00 C ATOM 82 O LEU A 7 -1.381 -2.169 1.120 1.00 0.00 O ATOM 83 CB LEU A 7 -1.418 -4.821 2.892 1.00 0.00 C ATOM 84 CG LEU A 7 -2.160 -5.863 3.738 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.279 -7.102 3.918 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.486 -5.276 5.111 1.00 0.00 C ATOM 0 H LEU A 7 -3.336 -4.214 1.364 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.314 -3.177 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.365 -5.152 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.393 -4.715 3.246 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.084 -6.141 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.809 -7.841 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.046 -7.528 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.354 -6.821 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.013 -6.020 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.562 -4.994 5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.116 -4.395 4.990 1.00 0.00 H new ATOM 98 N HIS A 8 -0.576 -1.612 3.090 1.00 0.00 N ATOM 99 CA HIS A 8 0.178 -0.468 2.498 1.00 0.00 C ATOM 100 C HIS A 8 1.610 -0.427 3.031 1.00 0.00 C ATOM 101 O HIS A 8 1.849 -0.627 4.205 1.00 0.00 O ATOM 102 CB HIS A 8 -0.571 0.785 2.953 1.00 0.00 C ATOM 103 CG HIS A 8 -2.040 0.635 2.675 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.717 1.478 1.808 1.00 0.00 N ATOM 105 CD2 HIS A 8 -2.976 -0.248 3.149 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.004 1.088 1.789 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.215 0.041 2.589 1.00 0.00 N ATOM 0 H HIS A 8 -0.469 -1.732 4.097 1.00 0.00 H new ATOM 0 HA HIS A 8 0.239 -0.551 1.413 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.409 0.949 4.018 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.182 1.660 2.433 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.313 2.252 1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.780 -1.046 3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.773 1.564 1.198 1.00 0.00 H new ATOM 115 N ILE A 9 2.516 0.066 2.235 1.00 0.00 N ATOM 116 CA ILE A 9 3.867 0.393 2.768 1.00 0.00 C ATOM 117 C ILE A 9 4.240 1.821 2.381 1.00 0.00 C ATOM 118 O ILE A 9 4.098 2.225 1.243 1.00 0.00 O ATOM 119 CB ILE A 9 4.822 -0.603 2.116 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.435 -2.023 2.529 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.253 -0.300 2.567 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.300 -3.031 1.767 1.00 0.00 C ATOM 0 H ILE A 9 2.381 0.256 1.242 1.00 0.00 H new ATOM 0 HA ILE A 9 3.906 0.326 3.855 1.00 0.00 H new ATOM 0 HB ILE A 9 4.761 -0.517 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.571 -2.150 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.380 -2.200 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.939 -1.009 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.522 0.713 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.319 -0.388 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.024 -4.043 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.142 -2.909 0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.351 -2.859 2.001 1.00 0.00 H new ATOM 134 N LEU A 10 4.667 2.601 3.331 1.00 0.00 N ATOM 135 CA LEU A 10 4.997 4.021 3.041 1.00 0.00 C ATOM 136 C LEU A 10 6.514 4.219 3.042 1.00 0.00 C ATOM 137 O LEU A 10 7.170 4.060 4.052 1.00 0.00 O ATOM 138 CB LEU A 10 4.357 4.812 4.182 1.00 0.00 C ATOM 139 CG LEU A 10 4.046 6.236 3.713 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.710 7.107 4.924 1.00 0.00 C ATOM 141 CD2 LEU A 10 5.262 6.816 2.986 1.00 0.00 C ATOM 0 H LEU A 10 4.802 2.315 4.301 1.00 0.00 H new ATOM 0 HA LEU A 10 4.633 4.341 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.442 4.319 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.029 4.840 5.040 1.00 0.00 H new ATOM 0 HG LEU A 10 3.196 6.216 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.488 8.121 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.842 6.695 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.560 7.126 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.038 7.829 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.115 6.837 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.500 6.195 2.122 1.00 0.00 H new ATOM 153 N VAL A 11 7.064 4.638 1.939 1.00 0.00 N ATOM 154 CA VAL A 11 8.527 4.930 1.903 1.00 0.00 C ATOM 155 C VAL A 11 8.758 6.422 1.656 1.00 0.00 C ATOM 156 O VAL A 11 8.164 7.016 0.782 1.00 0.00 O ATOM 157 CB VAL A 11 9.086 4.105 0.740 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.602 3.987 0.892 1.00 0.00 C ATOM 159 CG2 VAL A 11 8.463 2.708 0.748 1.00 0.00 C ATOM 0 H VAL A 11 6.568 4.792 1.061 1.00 0.00 H new ATOM 0 HA VAL A 11 9.015 4.677 2.844 1.00 0.00 H new ATOM 0 HB VAL A 11 8.846 4.598 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.006 3.401 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.047 4.982 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.836 3.494 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.864 2.126 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.699 2.210 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.381 2.791 0.643 1.00 0.00 H new ATOM 169 N LYS A 12 9.590 7.040 2.442 1.00 0.00 N ATOM 170 CA LYS A 12 9.831 8.502 2.275 1.00 0.00 C ATOM 171 C LYS A 12 10.607 8.777 0.981 1.00 0.00 C ATOM 172 O LYS A 12 10.379 9.764 0.310 1.00 0.00 O ATOM 173 CB LYS A 12 10.658 8.903 3.496 1.00 0.00 C ATOM 174 CG LYS A 12 10.950 10.404 3.446 1.00 0.00 C ATOM 175 CD LYS A 12 11.778 10.800 4.671 1.00 0.00 C ATOM 176 CE LYS A 12 11.988 12.315 4.677 1.00 0.00 C ATOM 177 NZ LYS A 12 13.313 12.514 5.330 1.00 0.00 N ATOM 0 H LYS A 12 10.116 6.597 3.195 1.00 0.00 H new ATOM 0 HA LYS A 12 8.902 9.067 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.118 8.657 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.592 8.341 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.491 10.651 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.017 10.967 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.269 10.489 5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.741 10.289 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.981 12.719 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.196 12.822 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.530 13.530 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.287 12.125 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.048 12.026 4.780 1.00 0.00 H new ATOM 191 N GLU A 13 11.571 7.954 0.665 1.00 0.00 N ATOM 192 CA GLU A 13 12.412 8.220 -0.540 1.00 0.00 C ATOM 193 C GLU A 13 12.105 7.215 -1.650 1.00 0.00 C ATOM 194 O GLU A 13 11.977 6.031 -1.414 1.00 0.00 O ATOM 195 CB GLU A 13 13.855 8.062 -0.062 1.00 0.00 C ATOM 196 CG GLU A 13 14.255 9.297 0.745 1.00 0.00 C ATOM 197 CD GLU A 13 15.699 9.147 1.229 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.239 8.062 1.091 1.00 0.00 O ATOM 199 OE2 GLU A 13 16.239 10.119 1.727 1.00 0.00 O ATOM 0 H GLU A 13 11.813 7.111 1.187 1.00 0.00 H new ATOM 0 HA GLU A 13 12.222 9.210 -0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.952 7.166 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.522 7.939 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.157 10.192 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.586 9.420 1.597 1.00 0.00 H new ATOM 206 N GLU A 14 12.008 7.681 -2.864 1.00 0.00 N ATOM 207 CA GLU A 14 11.733 6.756 -4.001 1.00 0.00 C ATOM 208 C GLU A 14 12.845 5.707 -4.108 1.00 0.00 C ATOM 209 O GLU A 14 12.588 4.535 -4.305 1.00 0.00 O ATOM 210 CB GLU A 14 11.713 7.646 -5.245 1.00 0.00 C ATOM 211 CG GLU A 14 11.227 6.832 -6.446 1.00 0.00 C ATOM 212 CD GLU A 14 11.179 7.730 -7.684 1.00 0.00 C ATOM 213 OE1 GLU A 14 11.423 8.916 -7.541 1.00 0.00 O ATOM 214 OE2 GLU A 14 10.899 7.215 -8.754 1.00 0.00 O ATOM 0 H GLU A 14 12.107 8.664 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 14 10.795 6.215 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.058 8.502 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.710 8.041 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.894 5.988 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.238 6.420 -6.244 1.00 0.00 H new ATOM 221 N LYS A 15 14.076 6.115 -3.949 1.00 0.00 N ATOM 222 CA LYS A 15 15.201 5.138 -4.010 1.00 0.00 C ATOM 223 C LYS A 15 14.989 4.023 -2.984 1.00 0.00 C ATOM 224 O LYS A 15 15.148 2.856 -3.285 1.00 0.00 O ATOM 225 CB LYS A 15 16.449 5.950 -3.667 1.00 0.00 C ATOM 226 CG LYS A 15 16.767 6.912 -4.815 1.00 0.00 C ATOM 227 CD LYS A 15 18.017 7.722 -4.465 1.00 0.00 C ATOM 228 CE LYS A 15 18.337 8.691 -5.606 1.00 0.00 C ATOM 229 NZ LYS A 15 19.336 9.635 -5.031 1.00 0.00 N ATOM 0 H LYS A 15 14.351 7.083 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 15 15.280 4.660 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.290 6.508 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.293 5.283 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.928 6.355 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.924 7.580 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.857 8.275 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.861 7.053 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.741 8.165 -6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.443 9.216 -5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.608 10.334 -5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.920 10.125 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.178 9.106 -4.726 1.00 0.00 H new ATOM 243 N LEU A 16 14.542 4.358 -1.806 1.00 0.00 N ATOM 244 CA LEU A 16 14.222 3.293 -0.815 1.00 0.00 C ATOM 245 C LEU A 16 13.005 2.504 -1.304 1.00 0.00 C ATOM 246 O LEU A 16 12.979 1.289 -1.255 1.00 0.00 O ATOM 247 CB LEU A 16 13.911 4.033 0.489 1.00 0.00 C ATOM 248 CG LEU A 16 14.121 3.089 1.677 1.00 0.00 C ATOM 249 CD1 LEU A 16 14.354 3.912 2.946 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.885 2.207 1.866 1.00 0.00 C ATOM 0 H LEU A 16 14.385 5.314 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 16 15.037 2.583 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.556 4.906 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.883 4.396 0.477 1.00 0.00 H new ATOM 0 HG LEU A 16 14.988 2.457 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.504 3.241 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.238 4.537 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.487 4.545 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.041 1.538 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.015 2.836 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.717 1.618 0.964 1.00 0.00 H new ATOM 262 N ALA A 17 12.036 3.182 -1.860 1.00 0.00 N ATOM 263 CA ALA A 17 10.867 2.468 -2.449 1.00 0.00 C ATOM 264 C ALA A 17 11.333 1.525 -3.564 1.00 0.00 C ATOM 265 O ALA A 17 10.910 0.389 -3.641 1.00 0.00 O ATOM 266 CB ALA A 17 9.970 3.569 -3.015 1.00 0.00 C ATOM 0 H ALA A 17 12.004 4.199 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 17 10.343 1.857 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.085 3.121 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.667 4.240 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.518 4.132 -3.771 1.00 0.00 H new ATOM 272 N LEU A 18 12.265 1.954 -4.376 1.00 0.00 N ATOM 273 CA LEU A 18 12.818 1.036 -5.412 1.00 0.00 C ATOM 274 C LEU A 18 13.445 -0.181 -4.735 1.00 0.00 C ATOM 275 O LEU A 18 13.192 -1.309 -5.109 1.00 0.00 O ATOM 276 CB LEU A 18 13.888 1.849 -6.146 1.00 0.00 C ATOM 277 CG LEU A 18 13.387 2.199 -7.549 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.650 3.538 -7.511 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.576 2.299 -8.506 1.00 0.00 C ATOM 0 H LEU A 18 12.663 2.893 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 18 12.051 0.673 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.113 2.759 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.814 1.278 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 18 12.707 1.421 -7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.294 3.786 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.801 3.467 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.329 4.317 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.219 2.548 -9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.257 3.076 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.100 1.344 -8.536 1.00 0.00 H new ATOM 291 N ASP A 19 14.157 0.033 -3.666 1.00 0.00 N ATOM 292 CA ASP A 19 14.677 -1.119 -2.881 1.00 0.00 C ATOM 293 C ASP A 19 13.508 -1.973 -2.381 1.00 0.00 C ATOM 294 O ASP A 19 13.567 -3.186 -2.382 1.00 0.00 O ATOM 295 CB ASP A 19 15.437 -0.495 -1.709 1.00 0.00 C ATOM 296 CG ASP A 19 16.341 -1.550 -1.069 1.00 0.00 C ATOM 297 OD1 ASP A 19 15.814 -2.453 -0.441 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.548 -1.437 -1.219 1.00 0.00 O ATOM 0 H ASP A 19 14.401 0.954 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 19 15.320 -1.771 -3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.034 0.349 -2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.735 -0.107 -0.972 1.00 0.00 H new ATOM 303 N LEU A 20 12.435 -1.345 -1.975 1.00 0.00 N ATOM 304 CA LEU A 20 11.252 -2.119 -1.501 1.00 0.00 C ATOM 305 C LEU A 20 10.725 -3.013 -2.633 1.00 0.00 C ATOM 306 O LEU A 20 10.489 -4.191 -2.451 1.00 0.00 O ATOM 307 CB LEU A 20 10.235 -1.034 -1.057 1.00 0.00 C ATOM 308 CG LEU A 20 8.938 -1.062 -1.889 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.189 -2.372 -1.639 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.046 0.110 -1.485 1.00 0.00 C ATOM 0 H LEU A 20 12.328 -0.331 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 20 11.471 -2.800 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.991 -1.179 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.697 -0.051 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 20 9.192 -0.985 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.273 -2.386 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.820 -3.213 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.939 -2.452 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.129 0.089 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.799 0.031 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.572 1.047 -1.666 1.00 0.00 H new ATOM 322 N LEU A 21 10.513 -2.450 -3.789 1.00 0.00 N ATOM 323 CA LEU A 21 9.971 -3.250 -4.921 1.00 0.00 C ATOM 324 C LEU A 21 10.920 -4.402 -5.255 1.00 0.00 C ATOM 325 O LEU A 21 10.517 -5.543 -5.367 1.00 0.00 O ATOM 326 CB LEU A 21 9.878 -2.267 -6.087 1.00 0.00 C ATOM 327 CG LEU A 21 8.748 -1.273 -5.817 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.259 0.152 -6.027 1.00 0.00 C ATOM 329 CD2 LEU A 21 7.589 -1.548 -6.778 1.00 0.00 C ATOM 0 H LEU A 21 10.692 -1.468 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 21 9.004 -3.698 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.823 -1.738 -6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.692 -2.804 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 21 8.403 -1.385 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.453 0.860 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.084 0.347 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.605 0.267 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.782 -0.840 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.934 -1.436 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.224 -2.564 -6.626 1.00 0.00 H new ATOM 341 N GLU A 22 12.181 -4.109 -5.401 1.00 0.00 N ATOM 342 CA GLU A 22 13.170 -5.180 -5.710 1.00 0.00 C ATOM 343 C GLU A 22 13.182 -6.221 -4.588 1.00 0.00 C ATOM 344 O GLU A 22 13.347 -7.402 -4.822 1.00 0.00 O ATOM 345 CB GLU A 22 14.517 -4.459 -5.783 1.00 0.00 C ATOM 346 CG GLU A 22 14.551 -3.564 -7.023 1.00 0.00 C ATOM 347 CD GLU A 22 15.839 -2.738 -7.017 1.00 0.00 C ATOM 348 OE1 GLU A 22 16.616 -2.892 -6.089 1.00 0.00 O ATOM 349 OE2 GLU A 22 16.027 -1.964 -7.943 1.00 0.00 O ATOM 0 H GLU A 22 12.572 -3.170 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 22 12.937 -5.708 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.670 -3.860 -4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.329 -5.186 -5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.500 -4.172 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.683 -2.905 -7.033 1.00 0.00 H new ATOM 356 N GLN A 23 13.093 -5.777 -3.364 1.00 0.00 N ATOM 357 CA GLN A 23 13.191 -6.721 -2.214 1.00 0.00 C ATOM 358 C GLN A 23 12.079 -7.773 -2.286 1.00 0.00 C ATOM 359 O GLN A 23 12.300 -8.940 -2.029 1.00 0.00 O ATOM 360 CB GLN A 23 13.020 -5.841 -0.975 1.00 0.00 C ATOM 361 CG GLN A 23 13.356 -6.648 0.280 1.00 0.00 C ATOM 362 CD GLN A 23 14.805 -7.134 0.198 1.00 0.00 C ATOM 363 OE1 GLN A 23 15.711 -6.348 0.005 1.00 0.00 O ATOM 364 NE2 GLN A 23 15.063 -8.405 0.338 1.00 0.00 N ATOM 0 H GLN A 23 12.956 -4.799 -3.110 1.00 0.00 H new ATOM 0 HA GLN A 23 14.135 -7.266 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.671 -4.969 -1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.996 -5.471 -0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.217 -6.033 1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.680 -7.498 0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.302 -9.065 0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.025 -8.739 0.285 1.00 0.00 H new ATOM 373 N ILE A 24 10.886 -7.371 -2.634 1.00 0.00 N ATOM 374 CA ILE A 24 9.767 -8.355 -2.721 1.00 0.00 C ATOM 375 C ILE A 24 10.055 -9.388 -3.813 1.00 0.00 C ATOM 376 O ILE A 24 9.966 -10.578 -3.591 1.00 0.00 O ATOM 377 CB ILE A 24 8.532 -7.526 -3.073 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.140 -6.664 -1.872 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.371 -8.458 -3.430 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.230 -5.525 -2.336 1.00 0.00 C ATOM 0 H ILE A 24 10.638 -6.408 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 24 9.631 -8.908 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 24 8.757 -6.886 -3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.628 -7.272 -1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.032 -6.259 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.492 -7.864 -3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.649 -9.074 -4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.145 -9.100 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.951 -4.911 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.758 -4.912 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.332 -5.940 -2.793 1.00 0.00 H new ATOM 392 N LYS A 25 10.447 -8.952 -4.976 1.00 0.00 N ATOM 393 CA LYS A 25 10.794 -9.929 -6.044 1.00 0.00 C ATOM 394 C LYS A 25 11.978 -10.787 -5.592 1.00 0.00 C ATOM 395 O LYS A 25 11.959 -11.998 -5.697 1.00 0.00 O ATOM 396 CB LYS A 25 11.178 -9.081 -7.257 1.00 0.00 C ATOM 397 CG LYS A 25 9.932 -8.386 -7.813 1.00 0.00 C ATOM 398 CD LYS A 25 8.982 -9.430 -8.406 1.00 0.00 C ATOM 399 CE LYS A 25 7.843 -8.722 -9.142 1.00 0.00 C ATOM 400 NZ LYS A 25 6.952 -9.818 -9.616 1.00 0.00 N ATOM 0 H LYS A 25 10.542 -7.969 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 25 9.970 -10.606 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.924 -8.339 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.629 -9.710 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.429 -7.831 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.217 -7.663 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.523 -10.082 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.580 -10.063 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.311 -8.038 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.220 -8.130 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.145 -9.411 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.484 -10.449 -10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.603 -10.360 -8.799 1.00 0.00 H new ATOM 414 N ASN A 26 12.983 -10.169 -5.034 1.00 0.00 N ATOM 415 CA ASN A 26 14.143 -10.946 -4.509 1.00 0.00 C ATOM 416 C ASN A 26 13.679 -11.919 -3.427 1.00 0.00 C ATOM 417 O ASN A 26 13.897 -13.112 -3.508 1.00 0.00 O ATOM 418 CB ASN A 26 15.075 -9.900 -3.900 1.00 0.00 C ATOM 419 CG ASN A 26 16.464 -10.507 -3.693 1.00 0.00 C ATOM 420 OD1 ASN A 26 16.715 -11.628 -4.087 1.00 0.00 O ATOM 421 ND2 ASN A 26 17.385 -9.807 -3.090 1.00 0.00 N ATOM 0 H ASN A 26 13.051 -9.158 -4.919 1.00 0.00 H new ATOM 0 HA ASN A 26 14.629 -11.533 -5.288 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.141 -9.032 -4.555 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.674 -9.551 -2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 26 18.315 -10.201 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 26 17.175 -8.865 -2.759 1.00 0.00 H new ATOM 428 N GLY A 27 13.124 -11.397 -2.370 1.00 0.00 N ATOM 429 CA GLY A 27 12.737 -12.260 -1.224 1.00 0.00 C ATOM 430 C GLY A 27 11.216 -12.434 -1.196 1.00 0.00 C ATOM 431 O GLY A 27 10.713 -13.527 -1.024 1.00 0.00 O ATOM 0 H GLY A 27 12.921 -10.404 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.222 -13.232 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.078 -11.814 -0.290 1.00 0.00 H new ATOM 435 N ALA A 28 10.487 -11.355 -1.360 1.00 0.00 N ATOM 436 CA ALA A 28 8.986 -11.415 -1.353 1.00 0.00 C ATOM 437 C ALA A 28 8.463 -11.467 0.073 1.00 0.00 C ATOM 438 O ALA A 28 9.212 -11.768 0.974 1.00 0.00 O ATOM 439 CB ALA A 28 8.591 -12.672 -2.133 1.00 0.00 C ATOM 0 H ALA A 28 10.872 -10.421 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 28 8.554 -10.527 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.505 -12.760 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.971 -12.602 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.016 -13.550 -1.647 1.00 0.00 H new ATOM 445 N ASP A 29 7.198 -11.084 0.236 1.00 0.00 N ATOM 446 CA ASP A 29 6.491 -10.954 1.575 1.00 0.00 C ATOM 447 C ASP A 29 6.059 -9.500 1.790 1.00 0.00 C ATOM 448 O ASP A 29 6.720 -8.741 2.470 1.00 0.00 O ATOM 449 CB ASP A 29 7.460 -11.346 2.687 1.00 0.00 C ATOM 450 CG ASP A 29 7.677 -12.862 2.681 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.848 -13.557 2.116 1.00 0.00 O ATOM 452 OD2 ASP A 29 8.668 -13.301 3.238 1.00 0.00 O ATOM 0 H ASP A 29 6.597 -10.844 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 29 5.616 -11.603 1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.412 -10.833 2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.065 -11.030 3.653 1.00 0.00 H new ATOM 457 N PHE A 30 4.957 -9.105 1.212 1.00 0.00 N ATOM 458 CA PHE A 30 4.491 -7.696 1.376 1.00 0.00 C ATOM 459 C PHE A 30 4.242 -7.368 2.853 1.00 0.00 C ATOM 460 O PHE A 30 4.554 -6.290 3.315 1.00 0.00 O ATOM 461 CB PHE A 30 3.183 -7.611 0.587 1.00 0.00 C ATOM 462 CG PHE A 30 3.439 -6.953 -0.747 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.516 -5.554 -0.832 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.596 -7.734 -1.901 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.752 -4.938 -2.069 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.832 -7.117 -3.139 1.00 0.00 C ATOM 467 CZ PHE A 30 3.909 -5.720 -3.222 1.00 0.00 C ATOM 0 H PHE A 30 4.359 -9.695 0.634 1.00 0.00 H new ATOM 0 HA PHE A 30 5.236 -6.984 1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.770 -8.609 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.444 -7.041 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.393 -4.952 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.535 -8.810 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.813 -3.862 -2.134 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.954 -7.718 -4.028 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.089 -5.245 -4.175 1.00 0.00 H new ATOM 477 N GLY A 31 3.591 -8.241 3.570 1.00 0.00 N ATOM 478 CA GLY A 31 3.219 -7.914 4.977 1.00 0.00 C ATOM 479 C GLY A 31 4.480 -7.764 5.835 1.00 0.00 C ATOM 480 O GLY A 31 4.650 -6.786 6.540 1.00 0.00 O ATOM 0 H GLY A 31 3.301 -9.163 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.640 -6.991 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.584 -8.700 5.385 1.00 0.00 H new ATOM 484 N LYS A 32 5.327 -8.756 5.845 1.00 0.00 N ATOM 485 CA LYS A 32 6.523 -8.700 6.735 1.00 0.00 C ATOM 486 C LYS A 32 7.465 -7.579 6.289 1.00 0.00 C ATOM 487 O LYS A 32 7.983 -6.831 7.098 1.00 0.00 O ATOM 488 CB LYS A 32 7.196 -10.063 6.580 1.00 0.00 C ATOM 489 CG LYS A 32 6.325 -11.135 7.239 1.00 0.00 C ATOM 490 CD LYS A 32 7.020 -12.494 7.139 1.00 0.00 C ATOM 491 CE LYS A 32 7.191 -12.875 5.667 1.00 0.00 C ATOM 492 NZ LYS A 32 7.814 -14.229 5.694 1.00 0.00 N ATOM 0 H LYS A 32 5.244 -9.600 5.278 1.00 0.00 H new ATOM 0 HA LYS A 32 6.257 -8.493 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.339 -10.293 5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.184 -10.048 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.148 -10.882 8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.351 -11.177 6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.992 -12.454 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.433 -13.253 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.232 -12.891 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.824 -12.158 5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.340 -14.387 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.466 -14.295 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.071 -14.951 5.788 1.00 0.00 H new ATOM 506 N LEU A 33 7.635 -7.408 5.007 1.00 0.00 N ATOM 507 CA LEU A 33 8.478 -6.284 4.516 1.00 0.00 C ATOM 508 C LEU A 33 7.842 -4.954 4.913 1.00 0.00 C ATOM 509 O LEU A 33 8.519 -4.021 5.291 1.00 0.00 O ATOM 510 CB LEU A 33 8.509 -6.433 2.995 1.00 0.00 C ATOM 511 CG LEU A 33 9.328 -7.668 2.619 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.442 -7.758 1.096 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.726 -7.560 3.231 1.00 0.00 C ATOM 0 H LEU A 33 7.227 -7.997 4.281 1.00 0.00 H new ATOM 0 HA LEU A 33 9.483 -6.303 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.494 -6.525 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.944 -5.543 2.541 1.00 0.00 H new ATOM 0 HG LEU A 33 8.834 -8.562 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.026 -8.638 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.446 -7.836 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.936 -6.864 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.310 -8.441 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.222 -6.667 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.644 -7.496 4.316 1.00 0.00 H new ATOM 525 N ALA A 34 6.546 -4.857 4.825 1.00 0.00 N ATOM 526 CA ALA A 34 5.869 -3.585 5.192 1.00 0.00 C ATOM 527 C ALA A 34 6.253 -3.177 6.616 1.00 0.00 C ATOM 528 O ALA A 34 6.642 -2.054 6.861 1.00 0.00 O ATOM 529 CB ALA A 34 4.374 -3.898 5.110 1.00 0.00 C ATOM 0 H ALA A 34 5.926 -5.605 4.514 1.00 0.00 H new ATOM 0 HA ALA A 34 6.151 -2.760 4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.801 -3.007 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.123 -4.211 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.131 -4.700 5.808 1.00 0.00 H new ATOM 535 N LYS A 35 6.135 -4.069 7.560 1.00 0.00 N ATOM 536 CA LYS A 35 6.484 -3.706 8.965 1.00 0.00 C ATOM 537 C LYS A 35 7.954 -3.273 9.064 1.00 0.00 C ATOM 538 O LYS A 35 8.269 -2.251 9.640 1.00 0.00 O ATOM 539 CB LYS A 35 6.252 -4.981 9.776 1.00 0.00 C ATOM 540 CG LYS A 35 6.397 -4.669 11.267 1.00 0.00 C ATOM 541 CD LYS A 35 6.164 -5.944 12.080 1.00 0.00 C ATOM 542 CE LYS A 35 6.306 -5.631 13.572 1.00 0.00 C ATOM 543 NZ LYS A 35 5.886 -6.881 14.266 1.00 0.00 N ATOM 0 H LYS A 35 5.814 -5.028 7.423 1.00 0.00 H new ATOM 0 HA LYS A 35 5.884 -2.872 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.258 -5.379 9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.969 -5.747 9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.391 -4.271 11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.680 -3.902 11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.171 -6.343 11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.882 -6.710 11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.332 -5.365 13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.678 -4.788 13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.955 -6.747 15.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.903 -7.106 14.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.506 -7.664 13.976 1.00 0.00 H new ATOM 557 N LYS A 36 8.858 -4.076 8.565 1.00 0.00 N ATOM 558 CA LYS A 36 10.310 -3.741 8.704 1.00 0.00 C ATOM 559 C LYS A 36 10.640 -2.410 8.016 1.00 0.00 C ATOM 560 O LYS A 36 11.305 -1.561 8.578 1.00 0.00 O ATOM 561 CB LYS A 36 11.045 -4.892 8.015 1.00 0.00 C ATOM 562 CG LYS A 36 12.550 -4.611 8.019 1.00 0.00 C ATOM 563 CD LYS A 36 13.280 -5.723 7.262 1.00 0.00 C ATOM 564 CE LYS A 36 14.759 -5.356 7.121 1.00 0.00 C ATOM 565 NZ LYS A 36 14.777 -4.197 6.184 1.00 0.00 N ATOM 0 H LYS A 36 8.657 -4.945 8.070 1.00 0.00 H new ATOM 0 HA LYS A 36 10.599 -3.626 9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.838 -5.830 8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.688 -5.005 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.752 -3.647 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.917 -4.553 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.178 -6.668 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.833 -5.862 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.195 -5.092 8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.338 -6.192 6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.458 -4.379 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.829 -4.064 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.057 -3.338 6.700 1.00 0.00 H new ATOM 579 N HIS A 37 10.233 -2.244 6.787 1.00 0.00 N ATOM 580 CA HIS A 37 10.581 -0.996 6.043 1.00 0.00 C ATOM 581 C HIS A 37 9.818 0.206 6.607 1.00 0.00 C ATOM 582 O HIS A 37 10.325 1.309 6.651 1.00 0.00 O ATOM 583 CB HIS A 37 10.168 -1.263 4.595 1.00 0.00 C ATOM 584 CG HIS A 37 11.093 -2.283 3.990 1.00 0.00 C ATOM 585 ND1 HIS A 37 12.409 -1.987 3.668 1.00 0.00 N ATOM 586 CD2 HIS A 37 10.908 -3.597 3.637 1.00 0.00 C ATOM 587 CE1 HIS A 37 12.959 -3.099 3.148 1.00 0.00 C ATOM 588 NE2 HIS A 37 12.088 -4.110 3.106 1.00 0.00 N ATOM 0 H HIS A 37 9.674 -2.918 6.264 1.00 0.00 H new ATOM 0 HA HIS A 37 11.641 -0.758 6.128 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.140 -1.622 4.559 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.203 -0.338 4.019 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.875 -1.090 3.801 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.987 -4.149 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.981 -3.166 2.806 1.00 0.00 H new ATOM 596 N SER A 38 8.574 0.022 6.949 1.00 0.00 N ATOM 597 CA SER A 38 7.746 1.176 7.399 1.00 0.00 C ATOM 598 C SER A 38 8.363 1.821 8.643 1.00 0.00 C ATOM 599 O SER A 38 8.517 3.023 8.709 1.00 0.00 O ATOM 600 CB SER A 38 6.379 0.572 7.725 1.00 0.00 C ATOM 601 OG SER A 38 5.447 1.613 7.979 1.00 0.00 O ATOM 0 H SER A 38 8.094 -0.878 6.937 1.00 0.00 H new ATOM 0 HA SER A 38 7.678 1.958 6.643 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.035 -0.044 6.894 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.456 -0.081 8.594 1.00 0.00 H new ATOM 0 HG SER A 38 4.710 1.556 7.336 1.00 0.00 H new ATOM 607 N ILE A 39 8.751 1.024 9.606 1.00 0.00 N ATOM 608 CA ILE A 39 9.402 1.577 10.835 1.00 0.00 C ATOM 609 C ILE A 39 8.746 2.900 11.243 1.00 0.00 C ATOM 610 O ILE A 39 9.391 3.788 11.765 1.00 0.00 O ATOM 611 CB ILE A 39 10.867 1.793 10.448 1.00 0.00 C ATOM 612 CG1 ILE A 39 11.680 2.123 11.702 1.00 0.00 C ATOM 613 CG2 ILE A 39 10.974 2.949 9.451 1.00 0.00 C ATOM 614 CD1 ILE A 39 13.163 1.858 11.432 1.00 0.00 C ATOM 0 H ILE A 39 8.645 0.010 9.595 1.00 0.00 H new ATOM 0 HA ILE A 39 9.303 0.906 11.688 1.00 0.00 H new ATOM 0 HB ILE A 39 11.257 0.885 9.988 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.531 3.166 11.981 1.00 0.00 H new ATOM 0 HG13 ILE A 39 11.338 1.516 12.540 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.019 3.099 9.179 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.396 2.713 8.557 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.583 3.859 9.906 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.743 2.093 12.325 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.304 0.809 11.173 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.500 2.484 10.606 1.00 0.00 H new ATOM 626 N CYS A 40 7.485 3.059 10.951 1.00 0.00 N ATOM 627 CA CYS A 40 6.805 4.352 11.255 1.00 0.00 C ATOM 628 C CYS A 40 5.500 4.097 12.018 1.00 0.00 C ATOM 629 O CYS A 40 5.005 2.987 12.043 1.00 0.00 O ATOM 630 CB CYS A 40 6.528 4.977 9.881 1.00 0.00 C ATOM 631 SG CYS A 40 5.161 4.108 9.071 1.00 0.00 S ATOM 0 H CYS A 40 6.895 2.350 10.515 1.00 0.00 H new ATOM 0 HA CYS A 40 7.408 5.007 11.884 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.282 6.033 9.995 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.423 4.923 9.261 1.00 0.00 H new ATOM 0 HG CYS A 40 5.537 2.903 8.759 1.00 0.00 H new ATOM 637 N PRO A 41 4.973 5.141 12.600 1.00 0.00 N ATOM 638 CA PRO A 41 3.700 5.035 13.348 1.00 0.00 C ATOM 639 C PRO A 41 2.653 4.278 12.524 1.00 0.00 C ATOM 640 O PRO A 41 1.798 3.604 13.063 1.00 0.00 O ATOM 641 CB PRO A 41 3.271 6.488 13.577 1.00 0.00 C ATOM 642 CG PRO A 41 4.276 7.342 12.856 1.00 0.00 C ATOM 643 CD PRO A 41 5.501 6.503 12.620 1.00 0.00 C ATOM 0 HA PRO A 41 3.808 4.485 14.283 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.266 6.662 13.193 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.251 6.725 14.641 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.868 7.698 11.910 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.524 8.223 13.448 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.990 6.759 11.680 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.240 6.637 13.410 1.00 0.00 H new ATOM 651 N SER A 42 2.739 4.340 11.222 1.00 0.00 N ATOM 652 CA SER A 42 1.775 3.574 10.380 1.00 0.00 C ATOM 653 C SER A 42 2.420 2.279 9.887 1.00 0.00 C ATOM 654 O SER A 42 1.879 1.590 9.046 1.00 0.00 O ATOM 655 CB SER A 42 1.435 4.488 9.203 1.00 0.00 C ATOM 656 OG SER A 42 2.485 5.423 9.009 1.00 0.00 O ATOM 0 H SER A 42 3.431 4.885 10.707 1.00 0.00 H new ATOM 0 HA SER A 42 0.881 3.295 10.938 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.290 3.896 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.499 5.012 9.395 1.00 0.00 H new ATOM 0 HG SER A 42 3.285 4.955 8.690 1.00 0.00 H new ATOM 662 N GLY A 43 3.477 1.854 10.520 1.00 0.00 N ATOM 663 CA GLY A 43 4.021 0.506 10.209 1.00 0.00 C ATOM 664 C GLY A 43 3.116 -0.544 10.853 1.00 0.00 C ATOM 665 O GLY A 43 2.577 -1.409 10.192 1.00 0.00 O ATOM 0 H GLY A 43 3.984 2.378 11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.067 0.356 9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.039 0.412 10.588 1.00 0.00 H new ATOM 669 N LYS A 44 2.904 -0.436 12.136 1.00 0.00 N ATOM 670 CA LYS A 44 1.986 -1.380 12.833 1.00 0.00 C ATOM 671 C LYS A 44 0.565 -1.277 12.263 1.00 0.00 C ATOM 672 O LYS A 44 -0.149 -2.256 12.177 1.00 0.00 O ATOM 673 CB LYS A 44 2.020 -0.939 14.299 1.00 0.00 C ATOM 674 CG LYS A 44 1.152 -1.878 15.139 1.00 0.00 C ATOM 675 CD LYS A 44 1.194 -1.430 16.602 1.00 0.00 C ATOM 676 CE LYS A 44 0.493 -2.473 17.475 1.00 0.00 C ATOM 677 NZ LYS A 44 -0.961 -2.209 17.290 1.00 0.00 N ATOM 0 H LYS A 44 3.331 0.271 12.735 1.00 0.00 H new ATOM 0 HA LYS A 44 2.289 -2.420 12.709 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.046 -0.948 14.668 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.658 0.085 14.389 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.125 -1.868 14.773 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.513 -2.903 15.050 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.227 -1.305 16.926 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.706 -0.461 16.711 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.753 -3.486 17.167 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.783 -2.373 18.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.505 -2.765 17.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.151 -1.197 17.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.243 -2.480 16.327 1.00 0.00 H new ATOM 691 N ARG A 45 0.115 -0.086 11.970 1.00 0.00 N ATOM 692 CA ARG A 45 -1.295 0.092 11.520 1.00 0.00 C ATOM 693 C ARG A 45 -1.357 0.338 10.005 1.00 0.00 C ATOM 694 O ARG A 45 -2.216 -0.179 9.319 1.00 0.00 O ATOM 695 CB ARG A 45 -1.789 1.313 12.303 1.00 0.00 C ATOM 696 CG ARG A 45 -3.030 1.901 11.635 1.00 0.00 C ATOM 697 CD ARG A 45 -4.216 0.954 11.827 1.00 0.00 C ATOM 698 NE ARG A 45 -5.389 1.708 11.302 1.00 0.00 N ATOM 699 CZ ARG A 45 -5.965 2.628 12.033 1.00 0.00 C ATOM 700 NH1 ARG A 45 -5.524 2.890 13.234 1.00 0.00 N ATOM 701 NH2 ARG A 45 -6.984 3.288 11.557 1.00 0.00 N ATOM 0 H ARG A 45 0.664 0.772 12.023 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.909 -0.790 11.703 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.020 1.027 13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.002 2.066 12.352 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.258 2.877 12.064 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.844 2.056 10.572 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.070 0.020 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.350 0.694 12.877 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.745 1.506 10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.726 2.376 13.608 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.978 3.608 13.798 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.329 3.086 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.436 4.006 12.123 1.00 0.00 H new ATOM 715 N GLY A 46 -0.460 1.127 9.482 1.00 0.00 N ATOM 716 CA GLY A 46 -0.472 1.414 8.016 1.00 0.00 C ATOM 717 C GLY A 46 -0.062 0.159 7.241 1.00 0.00 C ATOM 718 O GLY A 46 -0.540 -0.093 6.154 1.00 0.00 O ATOM 0 H GLY A 46 0.284 1.588 10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.467 1.735 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.212 2.232 7.790 1.00 0.00 H new ATOM 722 N GLY A 47 0.788 -0.651 7.812 1.00 0.00 N ATOM 723 CA GLY A 47 1.191 -1.916 7.130 1.00 0.00 C ATOM 724 C GLY A 47 0.058 -2.943 7.238 1.00 0.00 C ATOM 725 O GLY A 47 0.167 -4.055 6.761 1.00 0.00 O ATOM 0 H GLY A 47 1.221 -0.492 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.418 -1.719 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.099 -2.312 7.584 1.00 0.00 H new ATOM 729 N ASP A 48 -1.031 -2.574 7.856 1.00 0.00 N ATOM 730 CA ASP A 48 -2.177 -3.514 7.993 1.00 0.00 C ATOM 731 C ASP A 48 -3.384 -2.753 8.535 1.00 0.00 C ATOM 732 O ASP A 48 -3.679 -2.781 9.712 1.00 0.00 O ATOM 733 CB ASP A 48 -1.715 -4.574 8.994 1.00 0.00 C ATOM 734 CG ASP A 48 -2.834 -5.597 9.202 1.00 0.00 C ATOM 735 OD1 ASP A 48 -3.970 -5.271 8.902 1.00 0.00 O ATOM 736 OD2 ASP A 48 -2.534 -6.689 9.656 1.00 0.00 O ATOM 0 H ASP A 48 -1.176 -1.655 8.274 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.468 -3.966 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.817 -5.070 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.455 -4.105 9.943 1.00 0.00 H new ATOM 741 N LEU A 49 -4.017 -1.988 7.690 1.00 0.00 N ATOM 742 CA LEU A 49 -5.133 -1.120 8.152 1.00 0.00 C ATOM 743 C LEU A 49 -6.434 -1.927 8.229 1.00 0.00 C ATOM 744 O LEU A 49 -7.389 -1.524 8.861 1.00 0.00 O ATOM 745 CB LEU A 49 -5.229 -0.024 7.090 1.00 0.00 C ATOM 746 CG LEU A 49 -3.988 0.877 7.157 1.00 0.00 C ATOM 747 CD1 LEU A 49 -3.773 1.541 5.795 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.185 1.959 8.223 1.00 0.00 C ATOM 0 H LEU A 49 -3.807 -1.927 6.694 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.965 -0.710 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.312 -0.471 6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.129 0.570 7.248 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.119 0.273 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.893 2.182 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.627 0.773 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.647 2.141 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.300 2.594 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.055 2.565 7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.340 1.489 9.194 1.00 0.00 H new ATOM 760 N GLY A 50 -6.461 -3.086 7.625 1.00 0.00 N ATOM 761 CA GLY A 50 -7.681 -3.940 7.705 1.00 0.00 C ATOM 762 C GLY A 50 -8.622 -3.605 6.546 1.00 0.00 C ATOM 763 O GLY A 50 -8.196 -3.410 5.423 1.00 0.00 O ATOM 0 H GLY A 50 -5.692 -3.477 7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.403 -4.993 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.188 -3.778 8.656 1.00 0.00 H new ATOM 767 N GLU A 51 -9.898 -3.527 6.814 1.00 0.00 N ATOM 768 CA GLU A 51 -10.870 -3.191 5.736 1.00 0.00 C ATOM 769 C GLU A 51 -11.424 -1.781 5.938 1.00 0.00 C ATOM 770 O GLU A 51 -11.320 -1.208 7.004 1.00 0.00 O ATOM 771 CB GLU A 51 -11.988 -4.226 5.856 1.00 0.00 C ATOM 772 CG GLU A 51 -11.838 -5.270 4.749 1.00 0.00 C ATOM 773 CD GLU A 51 -12.750 -6.462 5.045 1.00 0.00 C ATOM 774 OE1 GLU A 51 -12.299 -7.375 5.718 1.00 0.00 O ATOM 775 OE2 GLU A 51 -13.885 -6.442 4.597 1.00 0.00 O ATOM 0 H GLU A 51 -10.309 -3.682 7.735 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.404 -3.212 4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.948 -4.708 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.960 -3.738 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.095 -4.832 3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.801 -5.599 4.683 1.00 0.00 H new ATOM 782 N PHE A 52 -11.930 -1.187 4.895 1.00 0.00 N ATOM 783 CA PHE A 52 -12.400 0.227 4.993 1.00 0.00 C ATOM 784 C PHE A 52 -13.696 0.386 4.205 1.00 0.00 C ATOM 785 O PHE A 52 -14.161 -0.543 3.574 1.00 0.00 O ATOM 786 CB PHE A 52 -11.303 1.121 4.373 1.00 0.00 C ATOM 787 CG PHE A 52 -10.012 0.362 4.165 1.00 0.00 C ATOM 788 CD1 PHE A 52 -9.954 -0.651 3.200 1.00 0.00 C ATOM 789 CD2 PHE A 52 -8.884 0.662 4.939 1.00 0.00 C ATOM 790 CE1 PHE A 52 -8.768 -1.366 3.007 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.696 -0.054 4.748 1.00 0.00 C ATOM 792 CZ PHE A 52 -7.637 -1.070 3.782 1.00 0.00 C ATOM 0 H PHE A 52 -12.040 -1.618 3.977 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.585 0.505 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.651 1.514 3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.121 1.977 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.825 -0.880 2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.930 1.444 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.723 -2.146 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.825 0.176 5.344 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.721 -1.624 3.635 1.00 0.00 H new ATOM 802 N ARG A 53 -14.270 1.557 4.221 1.00 0.00 N ATOM 803 CA ARG A 53 -15.531 1.783 3.460 1.00 0.00 C ATOM 804 C ARG A 53 -15.827 3.283 3.378 1.00 0.00 C ATOM 805 O ARG A 53 -15.063 4.093 3.858 1.00 0.00 O ATOM 806 CB ARG A 53 -16.614 1.070 4.270 1.00 0.00 C ATOM 807 CG ARG A 53 -16.891 1.859 5.551 1.00 0.00 C ATOM 808 CD ARG A 53 -17.929 1.120 6.397 1.00 0.00 C ATOM 809 NE ARG A 53 -18.278 2.079 7.484 1.00 0.00 N ATOM 810 CZ ARG A 53 -19.364 1.908 8.189 1.00 0.00 C ATOM 811 NH1 ARG A 53 -20.144 0.886 7.960 1.00 0.00 N ATOM 812 NH2 ARG A 53 -19.669 2.762 9.127 1.00 0.00 N ATOM 0 H ARG A 53 -13.920 2.369 4.729 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.474 1.409 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.526 0.981 3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.293 0.058 4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.969 1.986 6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -17.253 2.857 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.806 0.854 5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.524 0.192 6.801 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.666 2.872 7.678 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.906 0.217 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.991 0.757 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.060 3.560 9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.516 2.632 9.680 1.00 0.00 H new ATOM 900 N PRO A 59 -6.907 10.215 -2.320 1.00 0.00 N ATOM 901 CA PRO A 59 -6.898 9.742 -3.728 1.00 0.00 C ATOM 902 C PRO A 59 -6.076 8.458 -3.867 1.00 0.00 C ATOM 903 O PRO A 59 -6.507 7.500 -4.476 1.00 0.00 O ATOM 904 CB PRO A 59 -6.244 10.890 -4.502 1.00 0.00 C ATOM 905 CG PRO A 59 -5.632 11.785 -3.468 1.00 0.00 C ATOM 906 CD PRO A 59 -6.404 11.581 -2.195 1.00 0.00 C ATOM 0 HA PRO A 59 -7.896 9.503 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.488 10.515 -5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.980 11.429 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.579 11.543 -3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.679 12.827 -3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.769 11.697 -1.317 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.216 12.301 -2.098 1.00 0.00 H new ATOM 914 N ALA A 60 -4.859 8.470 -3.400 1.00 0.00 N ATOM 915 CA ALA A 60 -3.970 7.292 -3.611 1.00 0.00 C ATOM 916 C ALA A 60 -4.720 5.992 -3.313 1.00 0.00 C ATOM 917 O ALA A 60 -4.637 5.036 -4.057 1.00 0.00 O ATOM 918 CB ALA A 60 -2.815 7.486 -2.627 1.00 0.00 C ATOM 0 H ALA A 60 -4.441 9.243 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.621 7.221 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.114 6.657 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.302 8.422 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.205 7.518 -1.610 1.00 0.00 H new ATOM 924 N PHE A 61 -5.454 5.948 -2.237 1.00 0.00 N ATOM 925 CA PHE A 61 -6.207 4.706 -1.910 1.00 0.00 C ATOM 926 C PHE A 61 -7.191 4.374 -3.037 1.00 0.00 C ATOM 927 O PHE A 61 -7.340 3.234 -3.431 1.00 0.00 O ATOM 928 CB PHE A 61 -6.968 5.026 -0.625 1.00 0.00 C ATOM 929 CG PHE A 61 -7.768 3.815 -0.212 1.00 0.00 C ATOM 930 CD1 PHE A 61 -9.039 3.600 -0.761 1.00 0.00 C ATOM 931 CD2 PHE A 61 -7.238 2.900 0.710 1.00 0.00 C ATOM 932 CE1 PHE A 61 -9.783 2.473 -0.388 1.00 0.00 C ATOM 933 CE2 PHE A 61 -7.981 1.772 1.083 1.00 0.00 C ATOM 934 CZ PHE A 61 -9.254 1.558 0.535 1.00 0.00 C ATOM 0 H PHE A 61 -5.565 6.714 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.547 3.846 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.271 5.304 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.629 5.878 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.446 4.304 -1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.258 3.065 1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.763 2.309 -0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.573 1.067 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.827 0.689 0.823 1.00 0.00 H new ATOM 944 N ASP A 62 -7.855 5.365 -3.563 1.00 0.00 N ATOM 945 CA ASP A 62 -8.822 5.115 -4.673 1.00 0.00 C ATOM 946 C ASP A 62 -8.075 4.774 -5.959 1.00 0.00 C ATOM 947 O ASP A 62 -8.531 3.987 -6.764 1.00 0.00 O ATOM 948 CB ASP A 62 -9.597 6.423 -4.829 1.00 0.00 C ATOM 949 CG ASP A 62 -10.736 6.224 -5.831 1.00 0.00 C ATOM 950 OD1 ASP A 62 -10.660 5.283 -6.604 1.00 0.00 O ATOM 951 OD2 ASP A 62 -11.665 7.014 -5.807 1.00 0.00 O ATOM 0 H ASP A 62 -7.771 6.339 -3.273 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.484 4.275 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.997 6.738 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.931 7.214 -5.172 1.00 0.00 H new ATOM 956 N LYS A 63 -6.974 5.424 -6.200 1.00 0.00 N ATOM 957 CA LYS A 63 -6.254 5.208 -7.482 1.00 0.00 C ATOM 958 C LYS A 63 -5.950 3.719 -7.674 1.00 0.00 C ATOM 959 O LYS A 63 -6.132 3.179 -8.743 1.00 0.00 O ATOM 960 CB LYS A 63 -4.958 6.007 -7.340 1.00 0.00 C ATOM 961 CG LYS A 63 -4.149 5.906 -8.635 1.00 0.00 C ATOM 962 CD LYS A 63 -2.855 6.708 -8.486 1.00 0.00 C ATOM 963 CE LYS A 63 -2.104 6.721 -9.819 1.00 0.00 C ATOM 964 NZ LYS A 63 -0.912 7.582 -9.577 1.00 0.00 N ATOM 0 H LYS A 63 -6.542 6.095 -5.565 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.838 5.525 -8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.184 7.051 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.373 5.625 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.921 4.863 -8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.733 6.288 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.081 7.728 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.230 6.268 -7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.811 5.715 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.726 7.122 -10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.344 7.641 -10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.223 8.535 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.336 7.171 -8.815 1.00 0.00 H new ATOM 978 N VAL A 64 -5.385 3.082 -6.683 1.00 0.00 N ATOM 979 CA VAL A 64 -4.949 1.662 -6.869 1.00 0.00 C ATOM 980 C VAL A 64 -6.145 0.710 -6.991 1.00 0.00 C ATOM 981 O VAL A 64 -6.229 -0.047 -7.938 1.00 0.00 O ATOM 982 CB VAL A 64 -4.102 1.317 -5.639 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.828 1.723 -4.351 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.841 -0.190 -5.616 1.00 0.00 C ATOM 0 H VAL A 64 -5.207 3.477 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.383 1.550 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.160 1.862 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.210 1.470 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.014 2.797 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.777 1.191 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.239 -0.442 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.791 -0.723 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.307 -0.481 -6.521 1.00 0.00 H new ATOM 994 N VAL A 65 -7.125 0.806 -6.136 1.00 0.00 N ATOM 995 CA VAL A 65 -8.340 -0.029 -6.350 1.00 0.00 C ATOM 996 C VAL A 65 -8.922 0.280 -7.733 1.00 0.00 C ATOM 997 O VAL A 65 -9.498 -0.572 -8.380 1.00 0.00 O ATOM 998 CB VAL A 65 -9.315 0.337 -5.226 1.00 0.00 C ATOM 999 CG1 VAL A 65 -10.050 1.639 -5.558 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -10.335 -0.794 -5.066 1.00 0.00 C ATOM 0 H VAL A 65 -7.140 1.412 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.126 -1.097 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.757 0.476 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.739 1.884 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.326 2.446 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.609 1.515 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.034 -0.543 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.882 -0.925 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.816 -1.719 -4.816 1.00 0.00 H new ATOM 1010 N PHE A 66 -8.691 1.469 -8.225 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.137 1.805 -9.608 1.00 0.00 C ATOM 1012 C PHE A 66 -8.002 1.531 -10.602 1.00 0.00 C ATOM 1013 O PHE A 66 -8.207 1.472 -11.798 1.00 0.00 O ATOM 1014 CB PHE A 66 -9.471 3.296 -9.565 1.00 0.00 C ATOM 1015 CG PHE A 66 -10.209 3.681 -10.826 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -11.594 3.487 -10.912 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -9.508 4.228 -11.911 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -12.280 3.841 -12.082 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -10.196 4.581 -13.081 1.00 0.00 C ATOM 1020 CZ PHE A 66 -11.582 4.388 -13.167 1.00 0.00 C ATOM 0 H PHE A 66 -8.213 2.221 -7.729 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.992 1.210 -9.928 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.082 3.518 -8.690 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.557 3.882 -9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.133 3.065 -10.077 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.440 4.377 -11.845 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -13.348 3.692 -12.147 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.657 5.002 -13.917 1.00 0.00 H new ATOM 0 HZ PHE A 66 -12.111 4.661 -14.068 1.00 0.00 H new ATOM 1030 N SER A 67 -6.819 1.289 -10.103 1.00 0.00 N ATOM 1031 CA SER A 67 -5.681 0.934 -10.997 1.00 0.00 C ATOM 1032 C SER A 67 -5.599 -0.586 -11.151 1.00 0.00 C ATOM 1033 O SER A 67 -5.450 -1.102 -12.241 1.00 0.00 O ATOM 1034 CB SER A 67 -4.427 1.455 -10.294 1.00 0.00 C ATOM 1035 OG SER A 67 -3.334 1.427 -11.199 1.00 0.00 O ATOM 0 H SER A 67 -6.592 1.322 -9.109 1.00 0.00 H new ATOM 0 HA SER A 67 -5.795 1.364 -11.992 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.592 2.472 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.206 0.843 -9.420 1.00 0.00 H new ATOM 0 HG SER A 67 -2.530 1.762 -10.751 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.723 -1.307 -10.071 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.685 -2.794 -10.161 1.00 0.00 C ATOM 1043 C CYS A 68 -6.771 -3.410 -9.274 1.00 0.00 C ATOM 1044 O CYS A 68 -7.159 -2.836 -8.275 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.295 -3.183 -9.663 1.00 0.00 C ATOM 1046 SG CYS A 68 -3.042 -2.362 -10.680 1.00 0.00 S ATOM 0 H CYS A 68 -5.849 -0.931 -9.131 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.869 -3.152 -11.174 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.177 -2.896 -8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.168 -4.264 -9.712 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.919 -3.010 -10.592 1.00 0.00 H new ATOM 1052 N PRO A 69 -7.246 -4.551 -9.692 1.00 0.00 N ATOM 1053 CA PRO A 69 -8.326 -5.249 -8.954 1.00 0.00 C ATOM 1054 C PRO A 69 -7.772 -5.959 -7.716 1.00 0.00 C ATOM 1055 O PRO A 69 -6.587 -5.940 -7.449 1.00 0.00 O ATOM 1056 CB PRO A 69 -8.847 -6.265 -9.965 1.00 0.00 C ATOM 1057 CG PRO A 69 -7.702 -6.517 -10.898 1.00 0.00 C ATOM 1058 CD PRO A 69 -6.825 -5.290 -10.888 1.00 0.00 C ATOM 0 HA PRO A 69 -9.097 -4.570 -8.591 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.162 -7.185 -9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.713 -5.878 -10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.137 -7.394 -10.582 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.066 -6.719 -11.905 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.769 -5.556 -10.839 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.963 -4.696 -11.791 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.624 -6.622 -6.983 1.00 0.00 N ATOM 1067 CA VAL A 70 -8.164 -7.385 -5.786 1.00 0.00 C ATOM 1068 C VAL A 70 -7.149 -8.459 -6.204 1.00 0.00 C ATOM 1069 O VAL A 70 -7.057 -8.817 -7.361 1.00 0.00 O ATOM 1070 CB VAL A 70 -9.445 -8.023 -5.240 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -10.075 -8.898 -6.325 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -9.133 -8.880 -4.010 1.00 0.00 C ATOM 0 H VAL A 70 -9.627 -6.669 -7.163 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.665 -6.761 -5.045 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.138 -7.234 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.987 -9.354 -5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.314 -8.285 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.373 -9.680 -6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.054 -9.326 -3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.433 -9.669 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.690 -8.256 -3.234 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.328 -8.902 -5.285 1.00 0.00 N ATOM 1083 CA LEU A 71 -5.247 -9.876 -5.631 1.00 0.00 C ATOM 1084 C LEU A 71 -4.306 -9.273 -6.674 1.00 0.00 C ATOM 1085 O LEU A 71 -3.847 -9.946 -7.576 1.00 0.00 O ATOM 1086 CB LEU A 71 -5.955 -11.112 -6.196 1.00 0.00 C ATOM 1087 CG LEU A 71 -6.688 -11.848 -5.073 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -8.153 -11.407 -5.051 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -6.616 -13.357 -5.322 1.00 0.00 C ATOM 0 H LEU A 71 -6.360 -8.629 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.642 -10.130 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.662 -10.815 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.229 -11.776 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.221 -11.614 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.678 -11.930 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.207 -10.332 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.619 -11.645 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.138 -13.883 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.086 -13.591 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.573 -13.673 -5.344 1.00 0.00 H new ATOM 1101 N GLU A 72 -3.994 -8.013 -6.542 1.00 0.00 N ATOM 1102 CA GLU A 72 -3.059 -7.369 -7.507 1.00 0.00 C ATOM 1103 C GLU A 72 -2.288 -6.237 -6.823 1.00 0.00 C ATOM 1104 O GLU A 72 -2.827 -5.173 -6.587 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.953 -6.816 -8.614 1.00 0.00 C ATOM 1106 CG GLU A 72 -3.652 -7.543 -9.926 1.00 0.00 C ATOM 1107 CD GLU A 72 -2.475 -6.864 -10.627 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -1.475 -6.625 -9.968 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -2.591 -6.593 -11.810 1.00 0.00 O ATOM 0 H GLU A 72 -4.347 -7.401 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.318 -8.069 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.002 -6.945 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.783 -5.746 -8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.417 -8.589 -9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.530 -7.530 -10.571 1.00 0.00 H new ATOM 1116 N PRO A 73 -1.046 -6.506 -6.524 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.188 -5.497 -5.855 1.00 0.00 C ATOM 1118 C PRO A 73 0.077 -4.318 -6.796 1.00 0.00 C ATOM 1119 O PRO A 73 0.343 -4.498 -7.968 1.00 0.00 O ATOM 1120 CB PRO A 73 1.105 -6.254 -5.556 1.00 0.00 C ATOM 1121 CG PRO A 73 1.104 -7.428 -6.485 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.334 -7.762 -6.780 1.00 0.00 C ATOM 0 HA PRO A 73 -0.643 -5.078 -4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.977 -5.622 -5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.139 -6.577 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.640 -7.192 -7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.611 -8.279 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.464 -8.093 -7.810 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.697 -8.565 -6.139 1.00 0.00 H new ATOM 1130 N THR A 74 -0.031 -3.113 -6.305 1.00 0.00 N ATOM 1131 CA THR A 74 0.177 -1.930 -7.188 1.00 0.00 C ATOM 1132 C THR A 74 0.955 -0.838 -6.447 1.00 0.00 C ATOM 1133 O THR A 74 0.835 -0.681 -5.247 1.00 0.00 O ATOM 1134 CB THR A 74 -1.232 -1.448 -7.531 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.943 -2.498 -8.173 1.00 0.00 O ATOM 1136 CG2 THR A 74 -1.149 -0.241 -8.465 1.00 0.00 C ATOM 0 H THR A 74 -0.254 -2.897 -5.333 1.00 0.00 H new ATOM 0 HA THR A 74 0.756 -2.175 -8.078 1.00 0.00 H new ATOM 0 HB THR A 74 -1.751 -1.160 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.165 -2.230 -9.089 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.155 0.101 -8.708 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.602 0.563 -7.973 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.631 -0.525 -9.381 1.00 0.00 H new ATOM 1144 N GLY A 75 1.760 -0.091 -7.151 1.00 0.00 N ATOM 1145 CA GLY A 75 2.556 0.981 -6.490 1.00 0.00 C ATOM 1146 C GLY A 75 4.041 0.788 -6.823 1.00 0.00 C ATOM 1147 O GLY A 75 4.377 -0.008 -7.677 1.00 0.00 O ATOM 0 H GLY A 75 1.901 -0.177 -8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.220 1.961 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.406 0.948 -5.411 1.00 0.00 H new ATOM 1151 N PRO A 76 4.891 1.515 -6.135 1.00 0.00 N ATOM 1152 CA PRO A 76 4.439 2.478 -5.098 1.00 0.00 C ATOM 1153 C PRO A 76 3.784 3.705 -5.745 1.00 0.00 C ATOM 1154 O PRO A 76 4.207 4.176 -6.782 1.00 0.00 O ATOM 1155 CB PRO A 76 5.726 2.855 -4.368 1.00 0.00 C ATOM 1156 CG PRO A 76 6.824 2.600 -5.355 1.00 0.00 C ATOM 1157 CD PRO A 76 6.354 1.498 -6.269 1.00 0.00 C ATOM 0 HA PRO A 76 3.687 2.062 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.711 3.899 -4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.858 2.255 -3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.047 3.503 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.742 2.310 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.661 1.677 -7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.769 0.534 -5.976 1.00 0.00 H new ATOM 1165 N LEU A 77 2.710 4.180 -5.172 1.00 0.00 N ATOM 1166 CA LEU A 77 1.966 5.323 -5.779 1.00 0.00 C ATOM 1167 C LEU A 77 2.452 6.653 -5.197 1.00 0.00 C ATOM 1168 O LEU A 77 3.170 6.690 -4.222 1.00 0.00 O ATOM 1169 CB LEU A 77 0.503 5.082 -5.399 1.00 0.00 C ATOM 1170 CG LEU A 77 -0.033 3.873 -6.169 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -1.433 3.524 -5.658 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -0.102 4.209 -7.661 1.00 0.00 C ATOM 0 H LEU A 77 2.313 3.823 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 77 2.112 5.380 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.419 4.909 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.093 5.965 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 77 0.631 3.022 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.816 2.663 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.384 3.286 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.098 4.375 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.484 3.348 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.766 5.060 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.895 4.458 -8.024 1.00 0.00 H new ATOM 1184 N HIS A 78 2.048 7.749 -5.780 1.00 0.00 N ATOM 1185 CA HIS A 78 2.469 9.076 -5.245 1.00 0.00 C ATOM 1186 C HIS A 78 1.347 9.692 -4.402 1.00 0.00 C ATOM 1187 O HIS A 78 0.283 10.002 -4.901 1.00 0.00 O ATOM 1188 CB HIS A 78 2.737 9.931 -6.484 1.00 0.00 C ATOM 1189 CG HIS A 78 3.377 11.227 -6.071 1.00 0.00 C ATOM 1190 ND1 HIS A 78 4.730 11.472 -6.246 1.00 0.00 N ATOM 1191 CD2 HIS A 78 2.864 12.360 -5.489 1.00 0.00 C ATOM 1192 CE1 HIS A 78 4.983 12.708 -5.778 1.00 0.00 C ATOM 1193 NE2 HIS A 78 3.879 13.294 -5.305 1.00 0.00 N ATOM 0 H HIS A 78 1.446 7.783 -6.602 1.00 0.00 H new ATOM 0 HA HIS A 78 3.344 9.002 -4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.389 9.395 -7.174 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.804 10.126 -7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.829 12.504 -5.215 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.959 13.170 -5.784 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.798 14.225 -4.897 1.00 0.00 H new ATOM 1201 N THR A 79 1.603 9.943 -3.146 1.00 0.00 N ATOM 1202 CA THR A 79 0.581 10.620 -2.295 1.00 0.00 C ATOM 1203 C THR A 79 1.267 11.607 -1.346 1.00 0.00 C ATOM 1204 O THR A 79 2.474 11.619 -1.215 1.00 0.00 O ATOM 1205 CB THR A 79 -0.107 9.501 -1.507 1.00 0.00 C ATOM 1206 OG1 THR A 79 -1.235 10.031 -0.827 1.00 0.00 O ATOM 1207 CG2 THR A 79 0.871 8.906 -0.492 1.00 0.00 C ATOM 0 H THR A 79 2.475 9.709 -2.672 1.00 0.00 H new ATOM 0 HA THR A 79 -0.137 11.187 -2.887 1.00 0.00 H new ATOM 0 HB THR A 79 -0.429 8.719 -2.194 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.678 9.317 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.377 8.111 0.066 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.736 8.499 -1.016 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.198 9.684 0.198 1.00 0.00 H new ATOM 1215 N GLN A 80 0.513 12.474 -0.728 1.00 0.00 N ATOM 1216 CA GLN A 80 1.134 13.508 0.151 1.00 0.00 C ATOM 1217 C GLN A 80 1.917 12.843 1.286 1.00 0.00 C ATOM 1218 O GLN A 80 2.953 13.321 1.701 1.00 0.00 O ATOM 1219 CB GLN A 80 -0.045 14.303 0.712 1.00 0.00 C ATOM 1220 CG GLN A 80 -0.811 13.437 1.714 1.00 0.00 C ATOM 1221 CD GLN A 80 -2.094 14.155 2.132 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -2.868 14.579 1.296 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -2.354 14.312 3.401 1.00 0.00 N ATOM 0 H GLN A 80 -0.504 12.512 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 80 1.838 14.140 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.313 15.211 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.706 14.614 -0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.051 12.472 1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.191 13.239 2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.705 13.956 4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.207 14.790 3.691 1.00 0.00 H new ATOM 1232 N PHE A 81 1.442 11.731 1.773 1.00 0.00 N ATOM 1233 CA PHE A 81 2.175 11.022 2.861 1.00 0.00 C ATOM 1234 C PHE A 81 3.581 10.634 2.387 1.00 0.00 C ATOM 1235 O PHE A 81 4.492 10.484 3.176 1.00 0.00 O ATOM 1236 CB PHE A 81 1.340 9.775 3.153 1.00 0.00 C ATOM 1237 CG PHE A 81 -0.043 10.188 3.596 1.00 0.00 C ATOM 1238 CD1 PHE A 81 -0.264 10.583 4.924 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -1.105 10.180 2.682 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -1.548 10.969 5.337 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -2.389 10.567 3.094 1.00 0.00 C ATOM 1242 CZ PHE A 81 -2.609 10.960 4.421 1.00 0.00 C ATOM 0 H PHE A 81 0.579 11.282 1.466 1.00 0.00 H new ATOM 0 HA PHE A 81 2.302 11.643 3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.277 9.150 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.819 9.177 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.555 10.590 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.935 9.876 1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.719 11.273 6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.207 10.562 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.598 11.256 4.739 1.00 0.00 H new ATOM 1252 N GLY A 82 3.756 10.443 1.108 1.00 0.00 N ATOM 1253 CA GLY A 82 5.092 10.032 0.589 1.00 0.00 C ATOM 1254 C GLY A 82 4.901 9.020 -0.544 1.00 0.00 C ATOM 1255 O GLY A 82 4.057 9.188 -1.403 1.00 0.00 O ATOM 0 H GLY A 82 3.031 10.554 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.639 10.903 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.687 9.592 1.389 1.00 0.00 H new ATOM 1259 N TYR A 83 5.624 7.934 -0.508 1.00 0.00 N ATOM 1260 CA TYR A 83 5.417 6.873 -1.534 1.00 0.00 C ATOM 1261 C TYR A 83 4.488 5.788 -0.981 1.00 0.00 C ATOM 1262 O TYR A 83 4.740 5.207 0.056 1.00 0.00 O ATOM 1263 CB TYR A 83 6.812 6.315 -1.821 1.00 0.00 C ATOM 1264 CG TYR A 83 7.606 7.339 -2.600 1.00 0.00 C ATOM 1265 CD1 TYR A 83 7.556 7.336 -4.001 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.390 8.291 -1.930 1.00 0.00 C ATOM 1267 CE1 TYR A 83 8.286 8.284 -4.732 1.00 0.00 C ATOM 1268 CE2 TYR A 83 9.121 9.239 -2.662 1.00 0.00 C ATOM 1269 CZ TYR A 83 9.068 9.234 -4.063 1.00 0.00 C ATOM 1270 OH TYR A 83 9.785 10.168 -4.783 1.00 0.00 O ATOM 0 H TYR A 83 6.346 7.736 0.185 1.00 0.00 H new ATOM 0 HA TYR A 83 4.949 7.254 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.321 6.077 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.736 5.387 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.955 6.603 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.431 8.294 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.245 8.282 -5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.724 9.972 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 83 10.273 10.753 -4.166 1.00 0.00 H new ATOM 1280 N HIS A 84 3.382 5.565 -1.638 1.00 0.00 N ATOM 1281 CA HIS A 84 2.378 4.577 -1.124 1.00 0.00 C ATOM 1282 C HIS A 84 2.274 3.369 -2.057 1.00 0.00 C ATOM 1283 O HIS A 84 1.669 3.448 -3.108 1.00 0.00 O ATOM 1284 CB HIS A 84 1.031 5.319 -1.093 1.00 0.00 C ATOM 1285 CG HIS A 84 0.724 5.765 0.307 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.497 6.327 0.647 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.463 5.745 1.464 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.458 6.621 1.956 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.714 6.288 2.505 1.00 0.00 N ATOM 0 H HIS A 84 3.126 6.024 -2.512 1.00 0.00 H new ATOM 0 HA HIS A 84 2.667 4.206 -0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.066 6.181 -1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.238 4.666 -1.458 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.470 5.366 1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.275 7.072 2.500 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.999 6.406 3.477 1.00 0.00 H new ATOM 1297 N ILE A 85 2.673 2.213 -1.606 1.00 0.00 N ATOM 1298 CA ILE A 85 2.380 0.982 -2.402 1.00 0.00 C ATOM 1299 C ILE A 85 1.328 0.139 -1.675 1.00 0.00 C ATOM 1300 O ILE A 85 1.342 0.029 -0.466 1.00 0.00 O ATOM 1301 CB ILE A 85 3.705 0.226 -2.503 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.586 -0.871 -3.562 1.00 0.00 C ATOM 1303 CG2 ILE A 85 4.032 -0.411 -1.155 1.00 0.00 C ATOM 1304 CD1 ILE A 85 4.979 -1.229 -4.086 1.00 0.00 C ATOM 0 H ILE A 85 3.182 2.064 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 85 1.985 1.215 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 85 4.497 0.921 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.109 -1.753 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.953 -0.532 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.977 -0.950 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.115 0.367 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.238 -1.105 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.894 -2.011 -4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.439 -0.346 -4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.597 -1.586 -3.262 1.00 0.00 H new ATOM 1316 N ILE A 86 0.336 -0.332 -2.383 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.798 -1.017 -1.698 1.00 0.00 C ATOM 1318 C ILE A 86 -1.226 -2.265 -2.477 1.00 0.00 C ATOM 1319 O ILE A 86 -1.386 -2.228 -3.680 1.00 0.00 O ATOM 1320 CB ILE A 86 -1.931 0.009 -1.695 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.490 1.261 -0.938 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.161 -0.592 -1.009 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.524 2.371 -1.146 1.00 0.00 C ATOM 0 H ILE A 86 0.262 -0.273 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.528 -1.345 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.178 0.276 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.386 1.040 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.512 1.588 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.970 0.139 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.480 -1.484 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.911 -0.860 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.211 3.265 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.605 2.598 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.493 2.041 -0.771 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.575 -3.315 -1.783 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.187 -4.485 -2.480 1.00 0.00 C ATOM 1337 C LYS A 87 -3.592 -4.734 -1.924 1.00 0.00 C ATOM 1338 O LYS A 87 -3.882 -4.392 -0.794 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.261 -5.668 -2.194 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.366 -6.061 -0.723 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.435 -7.242 -0.450 1.00 0.00 C ATOM 1342 CE LYS A 87 -0.686 -7.764 0.963 1.00 0.00 C ATOM 1343 NZ LYS A 87 -2.005 -8.455 0.886 1.00 0.00 N ATOM 0 H LYS A 87 -1.465 -3.414 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.290 -4.324 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.530 -6.514 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.232 -5.403 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.097 -5.216 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.394 -6.329 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.609 -8.033 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.605 -6.933 -0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.102 -8.449 1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.708 -6.950 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.973 -9.328 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.747 -7.829 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.216 -8.690 -0.105 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.516 -5.103 -2.772 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.950 -5.103 -2.352 1.00 0.00 C ATOM 1359 C VAL A 88 -6.477 -6.531 -2.170 1.00 0.00 C ATOM 1360 O VAL A 88 -6.438 -7.340 -3.077 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.690 -4.412 -3.500 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -8.184 -4.352 -3.180 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -6.148 -2.993 -3.681 1.00 0.00 C ATOM 0 H VAL A 88 -4.342 -5.403 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.089 -4.600 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.538 -4.976 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.712 -3.860 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.570 -5.364 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.336 -3.790 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.676 -2.503 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.297 -2.427 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.084 -3.037 -3.911 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.100 -6.794 -1.052 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.782 -8.089 -0.851 1.00 0.00 C ATOM 1375 C LEU A 89 -9.288 -7.852 -0.738 1.00 0.00 C ATOM 1376 O LEU A 89 -9.776 -6.758 -0.944 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.233 -8.631 0.469 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.725 -8.860 0.346 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -5.152 -9.209 1.722 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.458 -10.012 -0.624 1.00 0.00 C ATOM 0 H LEU A 89 -7.162 -6.151 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.613 -8.784 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.439 -7.928 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.733 -9.565 0.725 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.249 -7.954 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.078 -9.373 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.341 -8.388 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.629 -10.115 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.383 -10.173 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.932 -10.919 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.868 -9.765 -1.604 1.00 0.00 H new ATOM 1392 N TYR A 90 -10.001 -8.873 -0.379 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.489 -8.782 -0.215 1.00 0.00 C ATOM 1394 C TYR A 90 -12.111 -7.785 -1.206 1.00 0.00 C ATOM 1395 O TYR A 90 -12.541 -8.162 -2.278 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.699 -8.320 1.229 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.416 -9.470 2.165 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -12.450 -10.341 2.535 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -10.120 -9.668 2.665 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -12.191 -11.409 3.403 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -9.861 -10.739 3.535 1.00 0.00 C ATOM 1402 CZ TYR A 90 -10.897 -11.609 3.903 1.00 0.00 C ATOM 1403 OH TYR A 90 -10.642 -12.663 4.757 1.00 0.00 O ATOM 0 H TYR A 90 -9.613 -9.796 -0.185 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.973 -9.737 -0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.040 -7.482 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.721 -7.968 1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.448 -10.188 2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.323 -8.997 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -12.989 -12.079 3.687 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.864 -10.893 3.921 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.695 -12.658 5.009 1.00 0.00 H new ATOM 1413 N ARG A 91 -12.164 -6.524 -0.873 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.758 -5.532 -1.817 1.00 0.00 C ATOM 1415 C ARG A 91 -14.224 -5.869 -2.101 1.00 0.00 C ATOM 1416 O ARG A 91 -14.670 -5.841 -3.232 1.00 0.00 O ATOM 1417 CB ARG A 91 -11.926 -5.661 -3.090 1.00 0.00 C ATOM 1418 CG ARG A 91 -12.074 -4.389 -3.927 1.00 0.00 C ATOM 1419 CD ARG A 91 -11.175 -4.482 -5.163 1.00 0.00 C ATOM 1420 NE ARG A 91 -12.015 -5.155 -6.195 1.00 0.00 N ATOM 1421 CZ ARG A 91 -12.979 -4.500 -6.785 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -13.215 -3.253 -6.474 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -13.710 -5.093 -7.690 1.00 0.00 N ATOM 0 H ARG A 91 -11.824 -6.138 0.008 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.743 -4.520 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.878 -5.823 -2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.253 -6.527 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.113 -4.259 -4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.803 -3.516 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.856 -3.494 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.272 -5.055 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.837 -6.129 -6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.645 -2.787 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.969 -2.746 -6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.528 -6.066 -7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.463 -4.583 -8.152 1.00 0.00 H new