USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 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 68 CYS SG : rot -130:sc= -1.68! USER MOD Set 1.2: A 74 THR OG1 : rot -124:sc= -1.96! USER MOD Set 2.1: A 40 CYS SG : rot -104:sc= -0.911! USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0.806 USER MOD Set 3.1: A 23 GLN :FLIP amide:sc= -4! C(o=-4.5!,f=-3.5!) USER MOD Set 3.2: A 37 HIS : no HD1:sc= 0.534 K(o=-3.5,f=-9.4!) USER MOD Single : A 3 THR OG1 : rot 125:sc= 1.12 USER MOD Single : A 8 HIS : no HE2:sc= -17.8! C(o=-18!,f=-19!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= -0.232 (180deg=-1.91!) USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= -0.063 (180deg=-0.921) USER MOD Single : A 26 ASN : amide:sc= -9.15! C(o=-9.2!,f=-26!) USER MOD Single : A 32 LYS NZ :NH3+ 140:sc= -0.302 (180deg=-1.59!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 70:sc= -3.9! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= -0.107 (180deg=-1.16) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.391 F(o=-1.3,f=-0.39) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.6) USER MOD Single : A 83 TYR OH : rot -33:sc= 0.878 USER MOD Single : A 84 HIS : no HE2:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 87 LYS NZ :NH3+ -116:sc= -1.79 (180deg=-5.21!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -16.701 -2.453 0.881 1.00 0.00 N ATOM 36 CA THR A 3 -15.495 -2.453 1.761 1.00 0.00 C ATOM 37 C THR A 3 -14.350 -3.192 1.063 1.00 0.00 C ATOM 38 O THR A 3 -14.563 -3.911 0.107 1.00 0.00 O ATOM 39 CB THR A 3 -15.926 -3.202 3.026 1.00 0.00 C ATOM 40 OG1 THR A 3 -15.971 -4.596 2.754 1.00 0.00 O ATOM 41 CG2 THR A 3 -17.312 -2.722 3.462 1.00 0.00 C ATOM 0 HA THR A 3 -15.142 -1.447 1.988 1.00 0.00 H new ATOM 0 HB THR A 3 -15.210 -3.007 3.825 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.404 -5.073 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.616 -3.257 4.362 1.00 0.00 H new ATOM 0 HG22 THR A 3 -17.278 -1.652 3.669 1.00 0.00 H new ATOM 0 HG23 THR A 3 -18.031 -2.915 2.666 1.00 0.00 H new ATOM 49 N ALA A 4 -13.134 -3.009 1.506 1.00 0.00 N ATOM 50 CA ALA A 4 -11.999 -3.697 0.820 1.00 0.00 C ATOM 51 C ALA A 4 -10.863 -3.995 1.802 1.00 0.00 C ATOM 52 O ALA A 4 -10.641 -3.265 2.748 1.00 0.00 O ATOM 53 CB ALA A 4 -11.531 -2.712 -0.252 1.00 0.00 C ATOM 0 H ALA A 4 -12.879 -2.423 2.301 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.303 -4.655 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.696 -3.144 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.351 -2.506 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.212 -1.783 0.221 1.00 0.00 H new ATOM 59 N ALA A 5 -10.082 -5.006 1.523 1.00 0.00 N ATOM 60 CA ALA A 5 -8.886 -5.283 2.368 1.00 0.00 C ATOM 61 C ALA A 5 -7.652 -4.664 1.713 1.00 0.00 C ATOM 62 O ALA A 5 -7.485 -4.729 0.513 1.00 0.00 O ATOM 63 CB ALA A 5 -8.768 -6.807 2.402 1.00 0.00 C ATOM 0 H ALA A 5 -10.222 -5.651 0.746 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.971 -4.865 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.907 -7.092 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.673 -7.232 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.639 -7.185 1.388 1.00 0.00 H new ATOM 69 N ALA A 6 -6.864 -3.942 2.459 1.00 0.00 N ATOM 70 CA ALA A 6 -5.748 -3.190 1.815 1.00 0.00 C ATOM 71 C ALA A 6 -4.530 -3.084 2.738 1.00 0.00 C ATOM 72 O ALA A 6 -4.574 -2.442 3.769 1.00 0.00 O ATOM 73 CB ALA A 6 -6.327 -1.803 1.539 1.00 0.00 C ATOM 0 H ALA A 6 -6.940 -3.839 3.471 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.397 -3.690 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.569 -1.180 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.189 -1.894 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.636 -1.344 2.478 1.00 0.00 H new ATOM 79 N LEU A 7 -3.400 -3.556 2.283 1.00 0.00 N ATOM 80 CA LEU A 7 -2.129 -3.314 3.029 1.00 0.00 C ATOM 81 C LEU A 7 -1.403 -2.114 2.415 1.00 0.00 C ATOM 82 O LEU A 7 -1.451 -1.905 1.219 1.00 0.00 O ATOM 83 CB LEU A 7 -1.298 -4.589 2.849 1.00 0.00 C ATOM 84 CG LEU A 7 -1.814 -5.699 3.773 1.00 0.00 C ATOM 85 CD1 LEU A 7 -3.345 -5.721 3.794 1.00 0.00 C ATOM 86 CD2 LEU A 7 -1.305 -7.044 3.260 1.00 0.00 C ATOM 0 H LEU A 7 -3.301 -4.100 1.426 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.300 -3.096 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.347 -4.919 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.251 -4.382 3.069 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.453 -5.511 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.688 -6.516 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.718 -4.762 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.720 -5.900 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.666 -7.841 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.670 -7.209 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.215 -7.044 3.257 1.00 0.00 H new ATOM 98 N HIS A 8 -0.800 -1.280 3.217 1.00 0.00 N ATOM 99 CA HIS A 8 -0.162 -0.053 2.653 1.00 0.00 C ATOM 100 C HIS A 8 1.233 0.157 3.241 1.00 0.00 C ATOM 101 O HIS A 8 1.384 0.356 4.429 1.00 0.00 O ATOM 102 CB HIS A 8 -1.078 1.099 3.066 1.00 0.00 C ATOM 103 CG HIS A 8 -2.489 0.798 2.653 1.00 0.00 C ATOM 104 ND1 HIS A 8 -3.108 1.456 1.602 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.420 -0.083 3.144 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.356 0.967 1.497 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.598 0.026 2.413 1.00 0.00 N ATOM 0 H HIS A 8 -0.721 -1.391 4.228 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.043 -0.126 1.572 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.029 1.247 4.145 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.743 2.027 2.602 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.693 2.179 1.015 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.262 -0.758 3.972 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.075 1.295 0.761 1.00 0.00 H new ATOM 115 N ILE A 9 2.216 0.335 2.402 1.00 0.00 N ATOM 116 CA ILE A 9 3.536 0.790 2.916 1.00 0.00 C ATOM 117 C ILE A 9 3.806 2.228 2.473 1.00 0.00 C ATOM 118 O ILE A 9 3.704 2.561 1.308 1.00 0.00 O ATOM 119 CB ILE A 9 4.568 -0.161 2.315 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.266 -1.592 2.764 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.966 0.249 2.781 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.246 -2.554 2.088 1.00 0.00 C ATOM 0 H ILE A 9 2.163 0.187 1.394 1.00 0.00 H new ATOM 0 HA ILE A 9 3.573 0.777 4.005 1.00 0.00 H new ATOM 0 HB ILE A 9 4.523 -0.112 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.351 -1.671 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.241 -1.858 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.705 -0.428 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.175 1.267 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.016 0.200 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.033 -3.574 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.139 -2.482 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.266 -2.292 2.370 1.00 0.00 H new ATOM 134 N LEU A 10 4.175 3.073 3.394 1.00 0.00 N ATOM 135 CA LEU A 10 4.486 4.485 3.039 1.00 0.00 C ATOM 136 C LEU A 10 6.004 4.680 2.978 1.00 0.00 C ATOM 137 O LEU A 10 6.707 4.452 3.942 1.00 0.00 O ATOM 138 CB LEU A 10 3.888 5.318 4.178 1.00 0.00 C ATOM 139 CG LEU A 10 3.559 6.731 3.682 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.365 7.658 4.884 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.701 7.262 2.810 1.00 0.00 C ATOM 0 H LEU A 10 4.275 2.845 4.383 1.00 0.00 H new ATOM 0 HA LEU A 10 4.082 4.771 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.985 4.837 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.592 5.371 5.009 1.00 0.00 H new ATOM 0 HG LEU A 10 2.645 6.697 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.131 8.663 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.545 7.288 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.280 7.684 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.457 8.266 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.621 7.293 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.839 6.605 1.951 1.00 0.00 H new ATOM 153 N VAL A 11 6.518 5.043 1.838 1.00 0.00 N ATOM 154 CA VAL A 11 7.999 5.186 1.699 1.00 0.00 C ATOM 155 C VAL A 11 8.394 6.664 1.764 1.00 0.00 C ATOM 156 O VAL A 11 7.875 7.490 1.041 1.00 0.00 O ATOM 157 CB VAL A 11 8.350 4.604 0.320 1.00 0.00 C ATOM 158 CG1 VAL A 11 9.806 4.144 0.322 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.452 3.404 -0.002 1.00 0.00 C ATOM 0 H VAL A 11 5.981 5.247 0.995 1.00 0.00 H new ATOM 0 HA VAL A 11 8.529 4.670 2.499 1.00 0.00 H new ATOM 0 HB VAL A 11 8.197 5.377 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.058 3.731 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.455 4.993 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.945 3.380 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.715 3.005 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.592 2.631 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.409 3.721 -0.007 1.00 0.00 H new ATOM 169 N LYS A 12 9.315 7.000 2.626 1.00 0.00 N ATOM 170 CA LYS A 12 9.757 8.421 2.741 1.00 0.00 C ATOM 171 C LYS A 12 10.535 8.839 1.489 1.00 0.00 C ATOM 172 O LYS A 12 10.416 9.951 1.014 1.00 0.00 O ATOM 173 CB LYS A 12 10.666 8.448 3.970 1.00 0.00 C ATOM 174 CG LYS A 12 9.834 8.187 5.227 1.00 0.00 C ATOM 175 CD LYS A 12 10.744 8.214 6.456 1.00 0.00 C ATOM 176 CE LYS A 12 9.912 7.953 7.712 1.00 0.00 C ATOM 177 NZ LYS A 12 10.461 6.684 8.272 1.00 0.00 N ATOM 0 H LYS A 12 9.782 6.350 3.258 1.00 0.00 H new ATOM 0 HA LYS A 12 8.918 9.110 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.447 7.693 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.165 9.414 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.054 8.942 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.335 7.221 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.524 7.459 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.243 9.180 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.003 8.773 8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.853 7.855 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.943 6.434 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.355 5.921 7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.469 6.811 8.496 1.00 0.00 H new ATOM 191 N GLU A 13 11.361 7.968 0.977 1.00 0.00 N ATOM 192 CA GLU A 13 12.182 8.327 -0.215 1.00 0.00 C ATOM 193 C GLU A 13 12.106 7.216 -1.265 1.00 0.00 C ATOM 194 O GLU A 13 11.897 6.065 -0.949 1.00 0.00 O ATOM 195 CB GLU A 13 13.609 8.468 0.318 1.00 0.00 C ATOM 196 CG GLU A 13 13.962 7.240 1.160 1.00 0.00 C ATOM 197 CD GLU A 13 15.389 7.379 1.693 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.116 8.210 1.176 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.731 6.651 2.611 1.00 0.00 O ATOM 0 H GLU A 13 11.503 7.023 1.333 1.00 0.00 H new ATOM 0 HA GLU A 13 11.835 9.241 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.310 8.568 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.696 9.372 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.261 7.141 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.874 6.336 0.558 1.00 0.00 H new ATOM 206 N GLU A 14 12.267 7.557 -2.513 1.00 0.00 N ATOM 207 CA GLU A 14 12.192 6.521 -3.584 1.00 0.00 C ATOM 208 C GLU A 14 13.249 5.438 -3.354 1.00 0.00 C ATOM 209 O GLU A 14 13.020 4.274 -3.614 1.00 0.00 O ATOM 210 CB GLU A 14 12.459 7.265 -4.895 1.00 0.00 C ATOM 211 CG GLU A 14 11.225 8.084 -5.288 1.00 0.00 C ATOM 212 CD GLU A 14 11.503 8.823 -6.598 1.00 0.00 C ATOM 213 OE1 GLU A 14 12.608 8.702 -7.100 1.00 0.00 O ATOM 214 OE2 GLU A 14 10.604 9.491 -7.081 1.00 0.00 O ATOM 0 H GLU A 14 12.447 8.507 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 14 11.224 6.021 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.322 7.922 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.701 6.554 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.361 7.429 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.982 8.797 -4.500 1.00 0.00 H new ATOM 221 N LYS A 15 14.426 5.819 -2.942 1.00 0.00 N ATOM 222 CA LYS A 15 15.517 4.814 -2.782 1.00 0.00 C ATOM 223 C LYS A 15 15.033 3.633 -1.935 1.00 0.00 C ATOM 224 O LYS A 15 15.230 2.488 -2.288 1.00 0.00 O ATOM 225 CB LYS A 15 16.645 5.560 -2.071 1.00 0.00 C ATOM 226 CG LYS A 15 17.833 4.614 -1.872 1.00 0.00 C ATOM 227 CD LYS A 15 18.965 5.359 -1.160 1.00 0.00 C ATOM 228 CE LYS A 15 20.216 4.480 -1.139 1.00 0.00 C ATOM 229 NZ LYS A 15 20.523 4.218 -2.575 1.00 0.00 N ATOM 0 H LYS A 15 14.680 6.779 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 15 15.841 4.404 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.950 6.426 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.298 5.934 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.528 3.748 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.179 4.240 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.175 6.298 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.666 5.610 -0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.045 4.984 -0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.038 3.551 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.549 4.092 -2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.031 3.355 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.204 5.023 -3.151 1.00 0.00 H new ATOM 243 N LEU A 16 14.354 3.896 -0.852 1.00 0.00 N ATOM 244 CA LEU A 16 13.808 2.774 -0.037 1.00 0.00 C ATOM 245 C LEU A 16 12.686 2.074 -0.808 1.00 0.00 C ATOM 246 O LEU A 16 12.597 0.863 -0.833 1.00 0.00 O ATOM 247 CB LEU A 16 13.266 3.425 1.238 1.00 0.00 C ATOM 248 CG LEU A 16 12.894 2.334 2.247 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.019 2.887 3.668 1.00 0.00 C ATOM 250 CD2 LEU A 16 11.455 1.879 2.003 1.00 0.00 C ATOM 0 H LEU A 16 14.155 4.832 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 16 14.562 2.020 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.015 4.092 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.392 4.034 1.006 1.00 0.00 H new ATOM 0 HG LEU A 16 13.568 1.486 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.754 2.110 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.045 3.209 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.347 3.736 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.192 1.103 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.780 2.727 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.365 1.482 0.992 1.00 0.00 H new ATOM 262 N ALA A 17 11.861 2.829 -1.482 1.00 0.00 N ATOM 263 CA ALA A 17 10.781 2.211 -2.304 1.00 0.00 C ATOM 264 C ALA A 17 11.389 1.299 -3.374 1.00 0.00 C ATOM 265 O ALA A 17 10.952 0.183 -3.573 1.00 0.00 O ATOM 266 CB ALA A 17 10.056 3.391 -2.952 1.00 0.00 C ATOM 0 H ALA A 17 11.888 3.848 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 17 10.107 1.595 -1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.243 3.020 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.650 4.040 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.757 3.956 -3.567 1.00 0.00 H new ATOM 272 N LEU A 18 12.420 1.750 -4.036 1.00 0.00 N ATOM 273 CA LEU A 18 13.083 0.891 -5.059 1.00 0.00 C ATOM 274 C LEU A 18 13.577 -0.399 -4.410 1.00 0.00 C ATOM 275 O LEU A 18 13.348 -1.484 -4.907 1.00 0.00 O ATOM 276 CB LEU A 18 14.268 1.721 -5.558 1.00 0.00 C ATOM 277 CG LEU A 18 14.186 1.897 -7.076 1.00 0.00 C ATOM 278 CD1 LEU A 18 14.244 3.387 -7.419 1.00 0.00 C ATOM 279 CD2 LEU A 18 15.366 1.178 -7.733 1.00 0.00 C ATOM 0 H LEU A 18 12.832 2.675 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 18 12.409 0.609 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.270 2.696 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.204 1.230 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 18 13.250 1.475 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.186 3.514 -8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.407 3.902 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.181 3.808 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.311 1.301 -8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 18 16.301 1.603 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.329 0.117 -7.486 1.00 0.00 H new ATOM 291 N ASP A 19 14.210 -0.293 -3.278 1.00 0.00 N ATOM 292 CA ASP A 19 14.667 -1.517 -2.572 1.00 0.00 C ATOM 293 C ASP A 19 13.469 -2.411 -2.234 1.00 0.00 C ATOM 294 O ASP A 19 13.527 -3.614 -2.380 1.00 0.00 O ATOM 295 CB ASP A 19 15.337 -1.011 -1.295 1.00 0.00 C ATOM 296 CG ASP A 19 15.849 -2.202 -0.483 1.00 0.00 C ATOM 297 OD1 ASP A 19 15.418 -3.310 -0.758 1.00 0.00 O ATOM 298 OD2 ASP A 19 16.662 -1.985 0.400 1.00 0.00 O ATOM 0 H ASP A 19 14.430 0.587 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 19 15.347 -2.115 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.163 -0.345 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.627 -0.432 -0.704 1.00 0.00 H new ATOM 303 N LEU A 20 12.385 -1.836 -1.782 1.00 0.00 N ATOM 304 CA LEU A 20 11.199 -2.670 -1.435 1.00 0.00 C ATOM 305 C LEU A 20 10.620 -3.313 -2.701 1.00 0.00 C ATOM 306 O LEU A 20 10.239 -4.466 -2.705 1.00 0.00 O ATOM 307 CB LEU A 20 10.213 -1.698 -0.746 1.00 0.00 C ATOM 308 CG LEU A 20 9.054 -1.292 -1.674 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.089 -2.469 -1.840 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.305 -0.109 -1.064 1.00 0.00 C ATOM 0 H LEU A 20 12.271 -0.833 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 20 11.437 -3.502 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.810 -2.167 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.750 -0.805 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 20 9.455 -1.011 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.270 -2.178 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.620 -3.316 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.689 -2.752 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.484 0.179 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.908 -0.393 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.988 0.732 -0.946 1.00 0.00 H new ATOM 322 N LEU A 21 10.514 -2.559 -3.760 1.00 0.00 N ATOM 323 CA LEU A 21 9.916 -3.112 -5.004 1.00 0.00 C ATOM 324 C LEU A 21 10.662 -4.379 -5.427 1.00 0.00 C ATOM 325 O LEU A 21 10.099 -5.454 -5.483 1.00 0.00 O ATOM 326 CB LEU A 21 10.095 -2.008 -6.044 1.00 0.00 C ATOM 327 CG LEU A 21 8.902 -1.054 -5.981 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.402 0.373 -5.740 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.137 -1.113 -7.305 1.00 0.00 C ATOM 0 H LEU A 21 10.815 -1.586 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 21 8.869 -3.389 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.021 -1.464 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.176 -2.442 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 21 8.241 -1.347 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.552 1.054 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.949 0.413 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.062 0.670 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.285 -0.434 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.797 -0.818 -8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.782 -2.130 -7.475 1.00 0.00 H new ATOM 341 N GLU A 22 11.936 -4.265 -5.683 1.00 0.00 N ATOM 342 CA GLU A 22 12.734 -5.471 -6.055 1.00 0.00 C ATOM 343 C GLU A 22 12.775 -6.473 -4.895 1.00 0.00 C ATOM 344 O GLU A 22 12.749 -7.670 -5.096 1.00 0.00 O ATOM 345 CB GLU A 22 14.136 -4.949 -6.364 1.00 0.00 C ATOM 346 CG GLU A 22 14.105 -4.146 -7.666 1.00 0.00 C ATOM 347 CD GLU A 22 15.513 -3.641 -7.987 1.00 0.00 C ATOM 348 OE1 GLU A 22 16.412 -3.919 -7.210 1.00 0.00 O ATOM 349 OE2 GLU A 22 15.669 -2.988 -9.005 1.00 0.00 O ATOM 0 H GLU A 22 12.460 -3.391 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 22 12.300 -5.996 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.491 -4.322 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.834 -5.781 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.736 -4.768 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.418 -3.305 -7.571 1.00 0.00 H new ATOM 356 N GLN A 23 12.909 -5.994 -3.687 1.00 0.00 N ATOM 357 CA GLN A 23 13.036 -6.922 -2.524 1.00 0.00 C ATOM 358 C GLN A 23 11.791 -7.811 -2.418 1.00 0.00 C ATOM 359 O GLN A 23 11.865 -8.964 -2.048 1.00 0.00 O ATOM 360 CB GLN A 23 13.165 -6.013 -1.300 1.00 0.00 C ATOM 361 CG GLN A 23 13.301 -6.869 -0.040 1.00 0.00 C ATOM 362 CD GLN A 23 13.586 -5.966 1.162 1.00 0.00 C ATOM 363 OE1 GLN A 23 13.543 -6.471 2.365 1.00 0.00 O flip ATOM 364 NE2 GLN A 23 13.849 -4.791 1.005 1.00 0.00 N flip ATOM 0 H GLN A 23 12.936 -5.001 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 23 13.891 -7.591 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 23 14.034 -5.363 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.291 -5.366 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.386 -7.437 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.107 -7.592 -0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.882 -4.397 0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.037 -4.198 1.813 1.00 0.00 H new ATOM 373 N ILE A 24 10.667 -7.324 -2.848 1.00 0.00 N ATOM 374 CA ILE A 24 9.466 -8.200 -2.903 1.00 0.00 C ATOM 375 C ILE A 24 9.661 -9.272 -3.978 1.00 0.00 C ATOM 376 O ILE A 24 9.311 -10.419 -3.797 1.00 0.00 O ATOM 377 CB ILE A 24 8.313 -7.268 -3.266 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.043 -6.322 -2.096 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.060 -8.096 -3.557 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.085 -5.218 -2.543 1.00 0.00 C ATOM 0 H ILE A 24 10.525 -6.364 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 24 9.279 -8.719 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 24 8.575 -6.688 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.614 -6.874 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.978 -5.886 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.236 -7.431 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.256 -8.772 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.794 -8.676 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.892 -4.543 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.532 -4.660 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.146 -5.663 -2.874 1.00 0.00 H new ATOM 392 N LYS A 25 10.231 -8.910 -5.093 1.00 0.00 N ATOM 393 CA LYS A 25 10.465 -9.911 -6.165 1.00 0.00 C ATOM 394 C LYS A 25 11.497 -10.954 -5.717 1.00 0.00 C ATOM 395 O LYS A 25 11.213 -12.134 -5.666 1.00 0.00 O ATOM 396 CB LYS A 25 10.994 -9.091 -7.337 1.00 0.00 C ATOM 397 CG LYS A 25 11.482 -10.035 -8.429 1.00 0.00 C ATOM 398 CD LYS A 25 12.015 -9.220 -9.609 1.00 0.00 C ATOM 399 CE LYS A 25 12.406 -10.167 -10.746 1.00 0.00 C ATOM 400 NZ LYS A 25 11.113 -10.702 -11.257 1.00 0.00 N ATOM 0 H LYS A 25 10.544 -7.963 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 25 9.563 -10.467 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.210 -8.441 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.808 -8.446 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.265 -10.685 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.667 -10.680 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.256 -8.517 -9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.878 -8.631 -9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.953 -9.641 -11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.052 -10.969 -10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.213 -10.950 -12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.850 -11.550 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.372 -9.980 -11.150 1.00 0.00 H new ATOM 414 N ASN A 26 12.694 -10.533 -5.401 1.00 0.00 N ATOM 415 CA ASN A 26 13.734 -11.515 -4.970 1.00 0.00 C ATOM 416 C ASN A 26 13.298 -12.230 -3.680 1.00 0.00 C ATOM 417 O ASN A 26 13.611 -13.384 -3.467 1.00 0.00 O ATOM 418 CB ASN A 26 15.028 -10.702 -4.771 1.00 0.00 C ATOM 419 CG ASN A 26 14.842 -9.624 -3.711 1.00 0.00 C ATOM 420 OD1 ASN A 26 13.800 -9.516 -3.124 1.00 0.00 O ATOM 421 ND2 ASN A 26 15.828 -8.809 -3.445 1.00 0.00 N ATOM 0 H ASN A 26 12.995 -9.559 -5.422 1.00 0.00 H new ATOM 0 HA ASN A 26 13.887 -12.300 -5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.838 -11.369 -4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.320 -10.242 -5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.712 -8.082 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.713 -8.900 -3.943 1.00 0.00 H new ATOM 428 N GLY A 27 12.594 -11.551 -2.814 1.00 0.00 N ATOM 429 CA GLY A 27 12.155 -12.185 -1.536 1.00 0.00 C ATOM 430 C GLY A 27 10.656 -12.488 -1.600 1.00 0.00 C ATOM 431 O GLY A 27 10.250 -13.633 -1.576 1.00 0.00 O ATOM 0 H GLY A 27 12.303 -10.581 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.715 -13.104 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.366 -11.521 -0.698 1.00 0.00 H new ATOM 435 N ALA A 28 9.843 -11.455 -1.673 1.00 0.00 N ATOM 436 CA ALA A 28 8.349 -11.615 -1.741 1.00 0.00 C ATOM 437 C ALA A 28 7.757 -11.736 -0.339 1.00 0.00 C ATOM 438 O ALA A 28 7.720 -12.799 0.247 1.00 0.00 O ATOM 439 CB ALA A 28 8.063 -12.868 -2.572 1.00 0.00 C ATOM 0 H ALA A 28 10.160 -10.486 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 28 7.888 -10.743 -2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.986 -13.018 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.480 -12.745 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.519 -13.734 -2.093 1.00 0.00 H new ATOM 445 N ASP A 29 7.302 -10.642 0.202 1.00 0.00 N ATOM 446 CA ASP A 29 6.720 -10.668 1.569 1.00 0.00 C ATOM 447 C ASP A 29 6.200 -9.277 1.933 1.00 0.00 C ATOM 448 O ASP A 29 6.881 -8.491 2.560 1.00 0.00 O ATOM 449 CB ASP A 29 7.883 -11.069 2.469 1.00 0.00 C ATOM 450 CG ASP A 29 7.404 -12.095 3.498 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.549 -12.894 3.154 1.00 0.00 O ATOM 452 OD2 ASP A 29 7.899 -12.063 4.613 1.00 0.00 O ATOM 0 H ASP A 29 7.309 -9.726 -0.247 1.00 0.00 H new ATOM 0 HA ASP A 29 5.878 -11.354 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.691 -11.489 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.284 -10.191 2.975 1.00 0.00 H new ATOM 457 N PHE A 30 5.036 -8.934 1.455 1.00 0.00 N ATOM 458 CA PHE A 30 4.518 -7.553 1.671 1.00 0.00 C ATOM 459 C PHE A 30 4.379 -7.249 3.166 1.00 0.00 C ATOM 460 O PHE A 30 4.758 -6.192 3.628 1.00 0.00 O ATOM 461 CB PHE A 30 3.148 -7.539 0.988 1.00 0.00 C ATOM 462 CG PHE A 30 3.293 -7.021 -0.425 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.436 -5.646 -0.651 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.285 -7.913 -1.508 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.571 -5.160 -1.959 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.420 -7.427 -2.817 1.00 0.00 C ATOM 467 CZ PHE A 30 3.563 -6.050 -3.041 1.00 0.00 C ATOM 0 H PHE A 30 4.421 -9.550 0.924 1.00 0.00 H new ATOM 0 HA PHE A 30 5.190 -6.796 1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.725 -8.544 0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.457 -6.909 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.442 -4.960 0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.175 -8.973 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.681 -4.100 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.414 -8.113 -3.651 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.667 -5.675 -4.049 1.00 0.00 H new ATOM 477 N GLY A 31 3.785 -8.137 3.913 1.00 0.00 N ATOM 478 CA GLY A 31 3.561 -7.855 5.360 1.00 0.00 C ATOM 479 C GLY A 31 4.902 -7.626 6.064 1.00 0.00 C ATOM 480 O GLY A 31 5.061 -6.695 6.830 1.00 0.00 O ATOM 0 H GLY A 31 3.446 -9.042 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.927 -6.976 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.035 -8.689 5.824 1.00 0.00 H new ATOM 484 N LYS A 32 5.838 -8.515 5.880 1.00 0.00 N ATOM 485 CA LYS A 32 7.129 -8.400 6.621 1.00 0.00 C ATOM 486 C LYS A 32 7.907 -7.161 6.168 1.00 0.00 C ATOM 487 O LYS A 32 8.519 -6.479 6.966 1.00 0.00 O ATOM 488 CB LYS A 32 7.897 -9.674 6.271 1.00 0.00 C ATOM 489 CG LYS A 32 9.156 -9.761 7.134 1.00 0.00 C ATOM 490 CD LYS A 32 9.927 -11.035 6.786 1.00 0.00 C ATOM 491 CE LYS A 32 11.073 -11.225 7.780 1.00 0.00 C ATOM 492 NZ LYS A 32 10.407 -11.380 9.104 1.00 0.00 N ATOM 0 H LYS A 32 5.767 -9.315 5.251 1.00 0.00 H new ATOM 0 HA LYS A 32 6.976 -8.293 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.268 -10.548 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.166 -9.671 5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.785 -8.886 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.886 -9.764 8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.259 -11.896 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.319 -10.970 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.670 -12.103 7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.748 -10.369 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.895 -12.115 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.447 -10.478 9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.414 -11.655 8.963 1.00 0.00 H new ATOM 506 N LEU A 33 7.906 -6.874 4.896 1.00 0.00 N ATOM 507 CA LEU A 33 8.669 -5.690 4.404 1.00 0.00 C ATOM 508 C LEU A 33 8.053 -4.395 4.936 1.00 0.00 C ATOM 509 O LEU A 33 8.753 -3.491 5.349 1.00 0.00 O ATOM 510 CB LEU A 33 8.561 -5.756 2.880 1.00 0.00 C ATOM 511 CG LEU A 33 9.384 -6.938 2.363 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.077 -7.166 0.882 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.874 -6.628 2.528 1.00 0.00 C ATOM 0 H LEU A 33 7.413 -7.404 4.178 1.00 0.00 H new ATOM 0 HA LEU A 33 9.706 -5.700 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.518 -5.867 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.921 -4.827 2.438 1.00 0.00 H new ATOM 0 HG LEU A 33 9.129 -7.834 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.663 -8.008 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.016 -7.382 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.333 -6.271 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.463 -7.468 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.125 -5.733 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.097 -6.462 3.582 1.00 0.00 H new ATOM 525 N ALA A 34 6.751 -4.310 4.975 1.00 0.00 N ATOM 526 CA ALA A 34 6.108 -3.087 5.529 1.00 0.00 C ATOM 527 C ALA A 34 6.527 -2.884 6.988 1.00 0.00 C ATOM 528 O ALA A 34 6.909 -1.804 7.388 1.00 0.00 O ATOM 529 CB ALA A 34 4.607 -3.355 5.438 1.00 0.00 C ATOM 0 H ALA A 34 6.108 -5.032 4.649 1.00 0.00 H new ATOM 0 HA ALA A 34 6.397 -2.187 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.060 -2.497 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.329 -3.519 4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.359 -4.240 6.024 1.00 0.00 H new ATOM 535 N LYS A 35 6.416 -3.904 7.795 1.00 0.00 N ATOM 536 CA LYS A 35 6.758 -3.749 9.239 1.00 0.00 C ATOM 537 C LYS A 35 8.221 -3.325 9.419 1.00 0.00 C ATOM 538 O LYS A 35 8.529 -2.471 10.226 1.00 0.00 O ATOM 539 CB LYS A 35 6.537 -5.135 9.844 1.00 0.00 C ATOM 540 CG LYS A 35 6.887 -5.101 11.333 1.00 0.00 C ATOM 541 CD LYS A 35 6.667 -6.487 11.940 1.00 0.00 C ATOM 542 CE LYS A 35 7.081 -6.468 13.413 1.00 0.00 C ATOM 543 NZ LYS A 35 7.165 -7.902 13.806 1.00 0.00 N ATOM 0 H LYS A 35 6.104 -4.835 7.519 1.00 0.00 H new ATOM 0 HA LYS A 35 6.150 -2.980 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.500 -5.441 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.156 -5.871 9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.924 -4.794 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.268 -4.365 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.619 -6.774 11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.250 -7.231 11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.038 -5.965 13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.351 -5.934 14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.444 -7.972 14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.237 -8.353 13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.872 -8.383 13.214 1.00 0.00 H new ATOM 557 N LYS A 36 9.132 -4.011 8.786 1.00 0.00 N ATOM 558 CA LYS A 36 10.577 -3.747 9.056 1.00 0.00 C ATOM 559 C LYS A 36 11.004 -2.383 8.500 1.00 0.00 C ATOM 560 O LYS A 36 11.765 -1.666 9.119 1.00 0.00 O ATOM 561 CB LYS A 36 11.324 -4.872 8.339 1.00 0.00 C ATOM 562 CG LYS A 36 12.808 -4.805 8.704 1.00 0.00 C ATOM 563 CD LYS A 36 13.560 -5.929 7.989 1.00 0.00 C ATOM 564 CE LYS A 36 15.043 -5.860 8.356 1.00 0.00 C ATOM 565 NZ LYS A 36 15.273 -7.048 9.226 1.00 0.00 N ATOM 0 H LYS A 36 8.942 -4.739 8.097 1.00 0.00 H new ATOM 0 HA LYS A 36 10.789 -3.723 10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.910 -5.839 8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.198 -4.778 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.221 -3.838 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.933 -4.898 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.148 -6.897 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.436 -5.836 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.673 -5.892 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.279 -4.934 8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.270 -7.074 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.664 -6.986 10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.046 -7.914 8.697 1.00 0.00 H new ATOM 579 N HIS A 37 10.613 -2.070 7.295 1.00 0.00 N ATOM 580 CA HIS A 37 11.103 -0.812 6.658 1.00 0.00 C ATOM 581 C HIS A 37 10.289 0.395 7.138 1.00 0.00 C ATOM 582 O HIS A 37 10.759 1.516 7.125 1.00 0.00 O ATOM 583 CB HIS A 37 10.905 -1.031 5.158 1.00 0.00 C ATOM 584 CG HIS A 37 11.802 -2.144 4.692 1.00 0.00 C ATOM 585 ND1 HIS A 37 13.182 -2.085 4.818 1.00 0.00 N ATOM 586 CD2 HIS A 37 11.534 -3.352 4.096 1.00 0.00 C ATOM 587 CE1 HIS A 37 13.685 -3.224 4.311 1.00 0.00 C ATOM 588 NE2 HIS A 37 12.724 -4.032 3.857 1.00 0.00 N ATOM 0 H HIS A 37 9.978 -2.628 6.725 1.00 0.00 H new ATOM 0 HA HIS A 37 12.142 -0.603 6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.864 -1.277 4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.131 -0.115 4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.548 -3.719 3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.739 -3.457 4.275 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.838 -4.950 3.427 1.00 0.00 H new ATOM 596 N SER A 38 9.034 0.194 7.427 1.00 0.00 N ATOM 597 CA SER A 38 8.144 1.348 7.752 1.00 0.00 C ATOM 598 C SER A 38 8.650 2.113 8.979 1.00 0.00 C ATOM 599 O SER A 38 8.588 3.325 9.030 1.00 0.00 O ATOM 600 CB SER A 38 6.786 0.714 8.043 1.00 0.00 C ATOM 601 OG SER A 38 5.905 1.700 8.561 1.00 0.00 O ATOM 0 H SER A 38 8.583 -0.721 7.453 1.00 0.00 H new ATOM 0 HA SER A 38 8.105 2.072 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.371 0.283 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.899 -0.100 8.759 1.00 0.00 H new ATOM 0 HG SER A 38 5.671 2.334 7.852 1.00 0.00 H new ATOM 607 N ILE A 39 9.033 1.417 10.015 1.00 0.00 N ATOM 608 CA ILE A 39 9.398 2.112 11.280 1.00 0.00 C ATOM 609 C ILE A 39 8.359 3.195 11.595 1.00 0.00 C ATOM 610 O ILE A 39 8.652 4.185 12.234 1.00 0.00 O ATOM 611 CB ILE A 39 10.763 2.742 11.011 1.00 0.00 C ATOM 612 CG1 ILE A 39 11.755 1.655 10.592 1.00 0.00 C ATOM 613 CG2 ILE A 39 11.265 3.415 12.286 1.00 0.00 C ATOM 614 CD1 ILE A 39 13.050 2.309 10.103 1.00 0.00 C ATOM 0 H ILE A 39 9.108 0.400 10.039 1.00 0.00 H new ATOM 0 HA ILE A 39 9.428 1.434 12.133 1.00 0.00 H new ATOM 0 HB ILE A 39 10.673 3.480 10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.964 0.994 11.433 1.00 0.00 H new ATOM 0 HG13 ILE A 39 11.325 1.040 9.802 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.239 3.867 12.100 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.559 4.188 12.592 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.355 2.672 13.078 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.758 1.536 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.833 2.952 9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.482 2.906 10.906 1.00 0.00 H new ATOM 626 N CYS A 40 7.156 3.026 11.116 1.00 0.00 N ATOM 627 CA CYS A 40 6.100 4.056 11.346 1.00 0.00 C ATOM 628 C CYS A 40 4.950 3.453 12.163 1.00 0.00 C ATOM 629 O CYS A 40 4.615 2.296 11.997 1.00 0.00 O ATOM 630 CB CYS A 40 5.627 4.439 9.941 1.00 0.00 C ATOM 631 SG CYS A 40 4.211 5.562 10.052 1.00 0.00 S ATOM 0 H CYS A 40 6.857 2.216 10.573 1.00 0.00 H new ATOM 0 HA CYS A 40 6.464 4.919 11.904 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.439 4.916 9.392 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.349 3.544 9.385 1.00 0.00 H new ATOM 0 HG CYS A 40 3.119 4.912 9.780 1.00 0.00 H new ATOM 637 N PRO A 41 4.393 4.255 13.033 1.00 0.00 N ATOM 638 CA PRO A 41 3.280 3.787 13.897 1.00 0.00 C ATOM 639 C PRO A 41 2.203 3.088 13.060 1.00 0.00 C ATOM 640 O PRO A 41 1.450 2.273 13.557 1.00 0.00 O ATOM 641 CB PRO A 41 2.738 5.069 14.519 1.00 0.00 C ATOM 642 CG PRO A 41 3.871 6.047 14.458 1.00 0.00 C ATOM 643 CD PRO A 41 4.742 5.658 13.290 1.00 0.00 C ATOM 0 HA PRO A 41 3.600 3.061 14.644 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.871 5.437 13.970 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.417 4.902 15.547 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.495 7.063 14.334 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.443 6.030 15.386 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.544 6.284 12.420 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.800 5.768 13.528 1.00 0.00 H new ATOM 651 N SER A 42 2.165 3.352 11.783 1.00 0.00 N ATOM 652 CA SER A 42 1.189 2.654 10.904 1.00 0.00 C ATOM 653 C SER A 42 1.923 1.667 9.996 1.00 0.00 C ATOM 654 O SER A 42 1.381 1.182 9.025 1.00 0.00 O ATOM 655 CB SER A 42 0.527 3.757 10.077 1.00 0.00 C ATOM 656 OG SER A 42 1.353 4.913 10.082 1.00 0.00 O ATOM 0 H SER A 42 2.770 4.023 11.310 1.00 0.00 H new ATOM 0 HA SER A 42 0.454 2.084 11.472 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.369 3.414 9.054 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.454 3.996 10.488 1.00 0.00 H new ATOM 0 HG SER A 42 0.930 5.620 9.551 1.00 0.00 H new ATOM 662 N GLY A 43 3.114 1.286 10.360 1.00 0.00 N ATOM 663 CA GLY A 43 3.819 0.237 9.578 1.00 0.00 C ATOM 664 C GLY A 43 3.197 -1.121 9.901 1.00 0.00 C ATOM 665 O GLY A 43 2.648 -1.786 9.045 1.00 0.00 O ATOM 0 H GLY A 43 3.627 1.654 11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.739 0.444 8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.881 0.233 9.823 1.00 0.00 H new ATOM 669 N LYS A 44 3.229 -1.509 11.147 1.00 0.00 N ATOM 670 CA LYS A 44 2.586 -2.792 11.548 1.00 0.00 C ATOM 671 C LYS A 44 1.087 -2.766 11.229 1.00 0.00 C ATOM 672 O LYS A 44 0.512 -3.764 10.844 1.00 0.00 O ATOM 673 CB LYS A 44 2.814 -2.901 13.057 1.00 0.00 C ATOM 674 CG LYS A 44 2.240 -4.228 13.560 1.00 0.00 C ATOM 675 CD LYS A 44 2.560 -4.392 15.048 1.00 0.00 C ATOM 676 CE LYS A 44 2.188 -5.808 15.495 1.00 0.00 C ATOM 677 NZ LYS A 44 2.180 -5.749 16.985 1.00 0.00 N ATOM 0 H LYS A 44 3.674 -0.992 11.905 1.00 0.00 H new ATOM 0 HA LYS A 44 3.005 -3.643 11.011 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.879 -2.844 13.281 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.336 -2.067 13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.161 -4.252 13.404 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.662 -5.057 12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.620 -4.209 15.226 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.007 -3.657 15.633 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.213 -6.102 15.106 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.910 -6.540 15.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.933 -6.684 17.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.123 -5.473 17.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.479 -5.049 17.301 1.00 0.00 H new ATOM 691 N ARG A 45 0.431 -1.655 11.451 1.00 0.00 N ATOM 692 CA ARG A 45 -1.041 -1.610 11.229 1.00 0.00 C ATOM 693 C ARG A 45 -1.354 -1.094 9.818 1.00 0.00 C ATOM 694 O ARG A 45 -2.151 -1.668 9.103 1.00 0.00 O ATOM 695 CB ARG A 45 -1.568 -0.650 12.301 1.00 0.00 C ATOM 696 CG ARG A 45 -2.958 -0.152 11.909 1.00 0.00 C ATOM 697 CD ARG A 45 -3.932 -1.332 11.868 1.00 0.00 C ATOM 698 NE ARG A 45 -5.186 -0.816 12.491 1.00 0.00 N ATOM 699 CZ ARG A 45 -6.317 -1.441 12.306 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.364 -2.512 11.558 1.00 0.00 N ATOM 701 NH2 ARG A 45 -7.407 -0.994 12.869 1.00 0.00 N ATOM 0 H ARG A 45 0.851 -0.783 11.774 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.506 -2.593 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.611 -1.155 13.266 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.887 0.194 12.413 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.304 0.594 12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.920 0.335 10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.107 -1.665 10.845 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.540 -2.187 12.419 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.159 0.028 13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.514 -2.863 11.116 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.250 -2.997 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.374 -0.158 13.452 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.292 -1.481 12.726 1.00 0.00 H new ATOM 715 N GLY A 46 -0.660 -0.083 9.376 1.00 0.00 N ATOM 716 CA GLY A 46 -0.837 0.386 7.973 1.00 0.00 C ATOM 717 C GLY A 46 -0.241 -0.656 7.025 1.00 0.00 C ATOM 718 O GLY A 46 -0.701 -0.835 5.916 1.00 0.00 O ATOM 0 H GLY A 46 0.022 0.439 9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.895 0.533 7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.346 1.349 7.832 1.00 0.00 H new ATOM 722 N GLY A 47 0.690 -1.433 7.508 1.00 0.00 N ATOM 723 CA GLY A 47 1.213 -2.568 6.696 1.00 0.00 C ATOM 724 C GLY A 47 0.172 -3.694 6.669 1.00 0.00 C ATOM 725 O GLY A 47 0.367 -4.718 6.044 1.00 0.00 O ATOM 0 H GLY A 47 1.111 -1.330 8.431 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.431 -2.234 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.149 -2.932 7.120 1.00 0.00 H new ATOM 729 N ASP A 48 -0.934 -3.506 7.337 1.00 0.00 N ATOM 730 CA ASP A 48 -1.996 -4.548 7.353 1.00 0.00 C ATOM 731 C ASP A 48 -3.233 -3.992 8.061 1.00 0.00 C ATOM 732 O ASP A 48 -3.539 -4.354 9.179 1.00 0.00 O ATOM 733 CB ASP A 48 -1.400 -5.716 8.140 1.00 0.00 C ATOM 734 CG ASP A 48 -2.416 -6.857 8.209 1.00 0.00 C ATOM 735 OD1 ASP A 48 -3.590 -6.592 8.007 1.00 0.00 O ATOM 736 OD2 ASP A 48 -2.004 -7.977 8.462 1.00 0.00 O ATOM 0 H ASP A 48 -1.147 -2.667 7.876 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.301 -4.858 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.483 -6.060 7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.133 -5.392 9.146 1.00 0.00 H new ATOM 741 N LEU A 49 -3.903 -3.065 7.435 1.00 0.00 N ATOM 742 CA LEU A 49 -5.078 -2.417 8.085 1.00 0.00 C ATOM 743 C LEU A 49 -6.257 -3.389 8.131 1.00 0.00 C ATOM 744 O LEU A 49 -7.306 -3.082 8.660 1.00 0.00 O ATOM 745 CB LEU A 49 -5.406 -1.217 7.196 1.00 0.00 C ATOM 746 CG LEU A 49 -4.332 -0.139 7.372 1.00 0.00 C ATOM 747 CD1 LEU A 49 -4.207 0.671 6.082 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.729 0.793 8.518 1.00 0.00 C ATOM 0 H LEU A 49 -3.687 -2.726 6.497 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.872 -2.120 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.456 -1.528 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.385 -0.815 7.457 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.377 -0.612 7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.443 1.438 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.926 0.009 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.162 1.144 5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.965 1.560 8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.684 1.266 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.821 0.218 9.439 1.00 0.00 H new ATOM 760 N GLY A 50 -6.119 -4.526 7.509 1.00 0.00 N ATOM 761 CA GLY A 50 -7.260 -5.475 7.443 1.00 0.00 C ATOM 762 C GLY A 50 -8.261 -4.975 6.402 1.00 0.00 C ATOM 763 O GLY A 50 -7.932 -4.803 5.244 1.00 0.00 O ATOM 0 H GLY A 50 -5.266 -4.837 7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.907 -6.471 7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.740 -5.556 8.418 1.00 0.00 H new ATOM 767 N GLU A 51 -9.481 -4.746 6.799 1.00 0.00 N ATOM 768 CA GLU A 51 -10.497 -4.269 5.821 1.00 0.00 C ATOM 769 C GLU A 51 -11.174 -2.994 6.333 1.00 0.00 C ATOM 770 O GLU A 51 -11.490 -2.872 7.501 1.00 0.00 O ATOM 771 CB GLU A 51 -11.507 -5.409 5.716 1.00 0.00 C ATOM 772 CG GLU A 51 -12.377 -5.201 4.477 1.00 0.00 C ATOM 773 CD GLU A 51 -13.390 -6.341 4.369 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.257 -7.300 5.112 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.289 -6.233 3.550 1.00 0.00 O ATOM 0 H GLU A 51 -9.818 -4.868 7.754 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.056 -4.023 4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.988 -6.365 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.130 -5.442 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.895 -4.244 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.754 -5.168 3.583 1.00 0.00 H new ATOM 782 N PHE A 52 -11.424 -2.055 5.461 1.00 0.00 N ATOM 783 CA PHE A 52 -12.111 -0.801 5.888 1.00 0.00 C ATOM 784 C PHE A 52 -13.075 -0.328 4.799 1.00 0.00 C ATOM 785 O PHE A 52 -13.153 -0.913 3.738 1.00 0.00 O ATOM 786 CB PHE A 52 -10.993 0.217 6.106 1.00 0.00 C ATOM 787 CG PHE A 52 -10.050 0.196 4.927 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.507 0.562 3.652 1.00 0.00 C ATOM 789 CD2 PHE A 52 -8.716 -0.193 5.107 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.629 0.539 2.560 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.837 -0.214 4.016 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.294 0.151 2.741 1.00 0.00 C ATOM 0 H PHE A 52 -11.182 -2.101 4.471 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.704 -0.944 6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.415 1.214 6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.450 -0.015 7.022 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.535 0.861 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.365 -0.477 6.088 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.981 0.820 1.578 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.808 -0.511 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.618 0.133 1.899 1.00 0.00 H new ATOM 802 N ARG A 53 -13.911 0.631 5.102 1.00 0.00 N ATOM 803 CA ARG A 53 -14.973 1.008 4.126 1.00 0.00 C ATOM 804 C ARG A 53 -15.435 2.456 4.325 1.00 0.00 C ATOM 805 O ARG A 53 -15.653 2.894 5.436 1.00 0.00 O ATOM 806 CB ARG A 53 -16.120 0.045 4.424 1.00 0.00 C ATOM 807 CG ARG A 53 -16.679 0.345 5.816 1.00 0.00 C ATOM 808 CD ARG A 53 -17.815 -0.629 6.133 1.00 0.00 C ATOM 809 NE ARG A 53 -18.382 -0.143 7.423 1.00 0.00 N ATOM 810 CZ ARG A 53 -19.551 -0.563 7.827 1.00 0.00 C ATOM 811 NH1 ARG A 53 -20.229 -1.416 7.107 1.00 0.00 N ATOM 812 NH2 ARG A 53 -20.042 -0.129 8.956 1.00 0.00 N ATOM 0 H ARG A 53 -13.905 1.163 5.972 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.616 0.944 3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.904 0.150 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.768 -0.985 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.890 0.255 6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -17.044 1.371 5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.568 -0.629 5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.447 -1.651 6.222 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.855 0.520 7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.846 -1.757 6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -21.141 -1.741 7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.513 0.536 9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.955 -0.455 9.274 1.00 0.00 H new ATOM 900 N PRO A 59 -6.355 9.007 -0.784 1.00 0.00 N ATOM 901 CA PRO A 59 -6.567 9.483 -2.168 1.00 0.00 C ATOM 902 C PRO A 59 -5.892 8.554 -3.189 1.00 0.00 C ATOM 903 O PRO A 59 -6.492 8.160 -4.169 1.00 0.00 O ATOM 904 CB PRO A 59 -5.926 10.867 -2.167 1.00 0.00 C ATOM 905 CG PRO A 59 -5.917 11.318 -0.731 1.00 0.00 C ATOM 906 CD PRO A 59 -6.177 10.117 0.151 1.00 0.00 C ATOM 0 HA PRO A 59 -7.619 9.503 -2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.914 10.829 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.492 11.560 -2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.957 11.770 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.680 12.080 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.343 9.935 0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.064 10.262 0.768 1.00 0.00 H new ATOM 914 N ALA A 60 -4.647 8.222 -2.984 1.00 0.00 N ATOM 915 CA ALA A 60 -3.935 7.346 -3.961 1.00 0.00 C ATOM 916 C ALA A 60 -4.647 5.995 -4.082 1.00 0.00 C ATOM 917 O ALA A 60 -4.740 5.426 -5.151 1.00 0.00 O ATOM 918 CB ALA A 60 -2.534 7.164 -3.378 1.00 0.00 C ATOM 0 H ALA A 60 -4.091 8.519 -2.182 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.909 7.779 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.944 6.529 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.051 8.136 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.606 6.696 -2.396 1.00 0.00 H new ATOM 924 N PHE A 61 -5.122 5.466 -2.989 1.00 0.00 N ATOM 925 CA PHE A 61 -5.798 4.138 -3.033 1.00 0.00 C ATOM 926 C PHE A 61 -7.016 4.191 -3.960 1.00 0.00 C ATOM 927 O PHE A 61 -7.311 3.246 -4.665 1.00 0.00 O ATOM 928 CB PHE A 61 -6.222 3.859 -1.591 1.00 0.00 C ATOM 929 CG PHE A 61 -6.923 2.523 -1.522 1.00 0.00 C ATOM 930 CD1 PHE A 61 -6.184 1.355 -1.294 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.314 2.450 -1.691 1.00 0.00 C ATOM 932 CE1 PHE A 61 -6.832 0.113 -1.232 1.00 0.00 C ATOM 933 CE2 PHE A 61 -8.963 1.208 -1.628 1.00 0.00 C ATOM 934 CZ PHE A 61 -8.222 0.040 -1.399 1.00 0.00 C ATOM 0 H PHE A 61 -5.071 5.896 -2.066 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.146 3.355 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.349 3.858 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.885 4.648 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.113 1.411 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.885 3.349 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.261 -0.786 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.034 1.151 -1.756 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.722 -0.916 -1.351 1.00 0.00 H new ATOM 944 N ASP A 62 -7.735 5.278 -3.957 1.00 0.00 N ATOM 945 CA ASP A 62 -8.938 5.370 -4.833 1.00 0.00 C ATOM 946 C ASP A 62 -8.535 5.204 -6.298 1.00 0.00 C ATOM 947 O ASP A 62 -9.106 4.411 -7.019 1.00 0.00 O ATOM 948 CB ASP A 62 -9.498 6.772 -4.587 1.00 0.00 C ATOM 949 CG ASP A 62 -10.749 6.978 -5.445 1.00 0.00 C ATOM 950 OD1 ASP A 62 -10.958 6.189 -6.353 1.00 0.00 O ATOM 951 OD2 ASP A 62 -11.477 7.920 -5.178 1.00 0.00 O ATOM 0 H ASP A 62 -7.544 6.104 -3.389 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.671 4.593 -4.614 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.742 6.898 -3.532 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.748 7.523 -4.832 1.00 0.00 H new ATOM 956 N LYS A 63 -7.533 5.912 -6.738 1.00 0.00 N ATOM 957 CA LYS A 63 -7.084 5.744 -8.147 1.00 0.00 C ATOM 958 C LYS A 63 -6.644 4.299 -8.400 1.00 0.00 C ATOM 959 O LYS A 63 -7.003 3.702 -9.393 1.00 0.00 O ATOM 960 CB LYS A 63 -5.896 6.696 -8.306 1.00 0.00 C ATOM 961 CG LYS A 63 -5.345 6.583 -9.730 1.00 0.00 C ATOM 962 CD LYS A 63 -6.386 7.097 -10.726 1.00 0.00 C ATOM 963 CE LYS A 63 -5.842 6.963 -12.151 1.00 0.00 C ATOM 964 NZ LYS A 63 -4.655 7.864 -12.197 1.00 0.00 N ATOM 0 H LYS A 63 -7.010 6.594 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.882 5.963 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.207 7.721 -8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.119 6.450 -7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.424 7.159 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.095 5.546 -9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.312 6.531 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.624 8.139 -10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.564 5.932 -12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.589 7.257 -12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.494 8.176 -13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.825 8.693 -11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.817 7.352 -11.855 1.00 0.00 H new ATOM 978 N VAL A 64 -5.784 3.770 -7.569 1.00 0.00 N ATOM 979 CA VAL A 64 -5.225 2.411 -7.845 1.00 0.00 C ATOM 980 C VAL A 64 -6.289 1.328 -7.660 1.00 0.00 C ATOM 981 O VAL A 64 -6.499 0.514 -8.537 1.00 0.00 O ATOM 982 CB VAL A 64 -4.084 2.223 -6.842 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.631 2.316 -5.416 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.450 0.847 -7.049 1.00 0.00 C ATOM 0 H VAL A 64 -5.446 4.216 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.878 2.327 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.336 3.001 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.816 2.182 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.088 3.294 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.379 1.538 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.637 0.710 -6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.202 0.073 -6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.059 0.776 -8.064 1.00 0.00 H new ATOM 994 N VAL A 65 -7.032 1.356 -6.589 1.00 0.00 N ATOM 995 CA VAL A 65 -8.144 0.372 -6.468 1.00 0.00 C ATOM 996 C VAL A 65 -9.039 0.466 -7.707 1.00 0.00 C ATOM 997 O VAL A 65 -9.599 -0.515 -8.156 1.00 0.00 O ATOM 998 CB VAL A 65 -8.908 0.741 -5.191 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.831 1.932 -5.450 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.749 -0.459 -4.747 1.00 0.00 C ATOM 0 H VAL A 65 -6.922 2.002 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.785 -0.655 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.193 1.009 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.367 2.183 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.238 2.789 -5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.547 1.675 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.296 -0.204 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.456 -0.719 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.095 -1.309 -4.551 1.00 0.00 H new ATOM 1010 N PHE A 66 -9.109 1.624 -8.313 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.887 1.753 -9.580 1.00 0.00 C ATOM 1012 C PHE A 66 -8.955 1.612 -10.793 1.00 0.00 C ATOM 1013 O PHE A 66 -9.398 1.430 -11.909 1.00 0.00 O ATOM 1014 CB PHE A 66 -10.505 3.150 -9.531 1.00 0.00 C ATOM 1015 CG PHE A 66 -11.587 3.252 -10.581 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -11.247 3.524 -11.913 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -12.931 3.067 -10.224 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -12.249 3.614 -12.889 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -13.934 3.157 -11.200 1.00 0.00 C ATOM 1020 CZ PHE A 66 -13.593 3.429 -12.532 1.00 0.00 C ATOM 0 H PHE A 66 -8.663 2.481 -7.986 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.648 0.979 -9.676 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.922 3.342 -8.542 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.739 3.906 -9.706 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.212 3.664 -12.188 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.193 2.855 -9.198 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -11.987 3.826 -13.915 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -14.969 3.017 -10.925 1.00 0.00 H new ATOM 0 HZ PHE A 66 -14.365 3.496 -13.284 1.00 0.00 H new ATOM 1030 N SER A 67 -7.667 1.623 -10.568 1.00 0.00 N ATOM 1031 CA SER A 67 -6.706 1.408 -11.690 1.00 0.00 C ATOM 1032 C SER A 67 -6.380 -0.081 -11.820 1.00 0.00 C ATOM 1033 O SER A 67 -6.812 -0.742 -12.744 1.00 0.00 O ATOM 1034 CB SER A 67 -5.447 2.195 -11.320 1.00 0.00 C ATOM 1035 OG SER A 67 -4.633 2.350 -12.473 1.00 0.00 O ATOM 0 H SER A 67 -7.239 1.772 -9.654 1.00 0.00 H new ATOM 0 HA SER A 67 -7.118 1.739 -12.644 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.720 3.171 -10.920 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.895 1.673 -10.539 1.00 0.00 H new ATOM 0 HG SER A 67 -3.827 2.855 -12.239 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.673 -0.628 -10.870 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.381 -2.089 -10.906 1.00 0.00 C ATOM 1043 C CYS A 68 -6.468 -2.855 -10.146 1.00 0.00 C ATOM 1044 O CYS A 68 -6.744 -2.562 -9.000 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.033 -2.243 -10.203 1.00 0.00 C ATOM 1046 SG CYS A 68 -2.776 -1.289 -11.088 1.00 0.00 S ATOM 0 H CYS A 68 -5.285 -0.127 -10.071 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.357 -2.482 -11.922 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.107 -1.898 -9.172 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.748 -3.294 -10.167 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.738 -2.040 -11.310 1.00 0.00 H new ATOM 1052 N PRO A 69 -7.031 -3.834 -10.801 1.00 0.00 N ATOM 1053 CA PRO A 69 -8.074 -4.668 -10.157 1.00 0.00 C ATOM 1054 C PRO A 69 -7.510 -5.329 -8.898 1.00 0.00 C ATOM 1055 O PRO A 69 -6.313 -5.434 -8.726 1.00 0.00 O ATOM 1056 CB PRO A 69 -8.421 -5.717 -11.214 1.00 0.00 C ATOM 1057 CG PRO A 69 -7.897 -5.175 -12.508 1.00 0.00 C ATOM 1058 CD PRO A 69 -6.756 -4.252 -12.178 1.00 0.00 C ATOM 0 HA PRO A 69 -8.947 -4.094 -9.845 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.963 -6.678 -10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.497 -5.881 -11.265 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.561 -5.985 -13.156 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.680 -4.641 -13.046 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.795 -4.760 -12.257 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.723 -3.399 -12.856 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.359 -5.777 -8.015 1.00 0.00 N ATOM 1067 CA VAL A 70 -7.859 -6.428 -6.772 1.00 0.00 C ATOM 1068 C VAL A 70 -6.992 -7.640 -7.130 1.00 0.00 C ATOM 1069 O VAL A 70 -6.810 -7.960 -8.289 1.00 0.00 O ATOM 1070 CB VAL A 70 -9.119 -6.860 -6.021 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -9.941 -7.803 -6.902 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -8.726 -7.577 -4.728 1.00 0.00 C ATOM 0 H VAL A 70 -9.374 -5.721 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.239 -5.764 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.715 -5.980 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.839 -8.111 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.224 -7.288 -7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.346 -8.682 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.625 -7.884 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.128 -8.456 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.144 -6.902 -4.100 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.370 -8.244 -6.154 1.00 0.00 N ATOM 1083 CA LEU A 71 -5.416 -9.359 -6.438 1.00 0.00 C ATOM 1084 C LEU A 71 -4.294 -8.866 -7.355 1.00 0.00 C ATOM 1085 O LEU A 71 -3.586 -9.646 -7.961 1.00 0.00 O ATOM 1086 CB LEU A 71 -6.242 -10.445 -7.133 1.00 0.00 C ATOM 1087 CG LEU A 71 -7.076 -11.196 -6.093 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -8.502 -10.641 -6.094 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -7.109 -12.685 -6.443 1.00 0.00 C ATOM 0 H LEU A 71 -6.481 -8.013 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.948 -9.737 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.894 -9.997 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.584 -11.138 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.633 -11.066 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.100 -11.173 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.480 -9.580 -5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.944 -10.774 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.703 -13.220 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.554 -12.817 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.093 -13.080 -6.448 1.00 0.00 H new ATOM 1101 N GLU A 72 -4.093 -7.578 -7.419 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.980 -7.035 -8.249 1.00 0.00 C ATOM 1103 C GLU A 72 -2.305 -5.873 -7.520 1.00 0.00 C ATOM 1104 O GLU A 72 -2.589 -4.722 -7.789 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.642 -6.548 -9.539 1.00 0.00 C ATOM 1106 CG GLU A 72 -2.566 -6.052 -10.508 1.00 0.00 C ATOM 1107 CD GLU A 72 -2.880 -6.550 -11.920 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -3.897 -6.143 -12.458 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -2.099 -7.329 -12.441 1.00 0.00 O ATOM 0 H GLU A 72 -4.652 -6.878 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.210 -7.780 -8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.213 -7.357 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.346 -5.746 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.525 -4.963 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.586 -6.411 -10.194 1.00 0.00 H new ATOM 1116 N PRO A 73 -1.437 -6.215 -6.609 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.720 -5.186 -5.820 1.00 0.00 C ATOM 1118 C PRO A 73 -0.139 -4.122 -6.754 1.00 0.00 C ATOM 1119 O PRO A 73 0.444 -4.430 -7.774 1.00 0.00 O ATOM 1120 CB PRO A 73 0.388 -5.971 -5.124 1.00 0.00 C ATOM 1121 CG PRO A 73 -0.102 -7.386 -5.075 1.00 0.00 C ATOM 1122 CD PRO A 73 -1.043 -7.578 -6.238 1.00 0.00 C ATOM 0 HA PRO A 73 -1.360 -4.657 -5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.327 -5.898 -5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.575 -5.584 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.733 -8.084 -5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.612 -7.583 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.554 -8.091 -7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.907 -8.180 -5.956 1.00 0.00 H new ATOM 1130 N THR A 74 -0.347 -2.871 -6.446 1.00 0.00 N ATOM 1131 CA THR A 74 0.136 -1.795 -7.356 1.00 0.00 C ATOM 1132 C THR A 74 0.860 -0.707 -6.559 1.00 0.00 C ATOM 1133 O THR A 74 0.442 -0.329 -5.482 1.00 0.00 O ATOM 1134 CB THR A 74 -1.127 -1.233 -8.009 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.793 -2.270 -8.716 1.00 0.00 O ATOM 1136 CG2 THR A 74 -0.747 -0.113 -8.977 1.00 0.00 C ATOM 0 H THR A 74 -0.829 -2.549 -5.607 1.00 0.00 H new ATOM 0 HA THR A 74 0.846 -2.168 -8.094 1.00 0.00 H new ATOM 0 HB THR A 74 -1.789 -0.835 -7.240 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.917 -2.001 -9.650 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.648 0.287 -9.442 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.237 0.681 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.085 -0.507 -9.748 1.00 0.00 H new ATOM 1144 N GLY A 75 1.949 -0.210 -7.077 1.00 0.00 N ATOM 1145 CA GLY A 75 2.712 0.843 -6.350 1.00 0.00 C ATOM 1146 C GLY A 75 4.209 0.655 -6.623 1.00 0.00 C ATOM 1147 O GLY A 75 4.587 -0.190 -7.410 1.00 0.00 O ATOM 0 H GLY A 75 2.344 -0.489 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.392 1.833 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.514 0.780 -5.280 1.00 0.00 H new ATOM 1151 N PRO A 76 5.025 1.429 -5.944 1.00 0.00 N ATOM 1152 CA PRO A 76 4.522 2.451 -4.990 1.00 0.00 C ATOM 1153 C PRO A 76 3.958 3.662 -5.746 1.00 0.00 C ATOM 1154 O PRO A 76 4.493 4.080 -6.754 1.00 0.00 O ATOM 1155 CB PRO A 76 5.763 2.829 -4.184 1.00 0.00 C ATOM 1156 CG PRO A 76 6.927 2.504 -5.071 1.00 0.00 C ATOM 1157 CD PRO A 76 6.491 1.409 -6.010 1.00 0.00 C ATOM 0 HA PRO A 76 3.709 2.089 -4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.753 3.887 -3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.811 2.268 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.241 3.386 -5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.783 2.182 -4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.845 1.592 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.889 0.442 -5.703 1.00 0.00 H new ATOM 1165 N LEU A 77 2.838 4.177 -5.309 1.00 0.00 N ATOM 1166 CA LEU A 77 2.190 5.302 -6.049 1.00 0.00 C ATOM 1167 C LEU A 77 2.574 6.647 -5.422 1.00 0.00 C ATOM 1168 O LEU A 77 3.003 6.713 -4.290 1.00 0.00 O ATOM 1169 CB LEU A 77 0.687 5.054 -5.910 1.00 0.00 C ATOM 1170 CG LEU A 77 -0.082 6.152 -6.649 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.292 6.126 -8.133 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -1.586 5.911 -6.498 1.00 0.00 C ATOM 0 H LEU A 77 2.344 3.868 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 77 2.503 5.341 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.430 4.077 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.405 5.043 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 77 0.175 7.123 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.255 6.908 -8.660 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.363 6.297 -8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.035 5.155 -8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.134 6.693 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.843 4.940 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.853 5.929 -5.441 1.00 0.00 H new ATOM 1184 N HIS A 78 2.503 7.707 -6.180 1.00 0.00 N ATOM 1185 CA HIS A 78 2.955 9.032 -5.661 1.00 0.00 C ATOM 1186 C HIS A 78 1.834 9.729 -4.877 1.00 0.00 C ATOM 1187 O HIS A 78 0.796 10.054 -5.418 1.00 0.00 O ATOM 1188 CB HIS A 78 3.311 9.836 -6.911 1.00 0.00 C ATOM 1189 CG HIS A 78 3.728 11.225 -6.515 1.00 0.00 C ATOM 1190 ND1 HIS A 78 3.027 12.273 -5.970 1.00 0.00 N flip ATOM 1191 CD2 HIS A 78 5.029 11.679 -6.669 1.00 0.00 C flip ATOM 1192 CE1 HIS A 78 3.876 13.360 -5.789 1.00 0.00 C flip ATOM 1193 NE2 HIS A 78 5.070 12.949 -6.226 1.00 0.00 N flip ATOM 0 H HIS A 78 2.151 7.714 -7.137 1.00 0.00 H new ATOM 0 HA HIS A 78 3.795 8.935 -4.973 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.118 9.344 -7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.454 9.880 -7.583 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.858 11.116 -7.071 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.624 14.328 -5.382 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.910 13.527 -6.224 1.00 0.00 H new ATOM 1201 N THR A 79 2.091 10.070 -3.640 1.00 0.00 N ATOM 1202 CA THR A 79 1.103 10.873 -2.859 1.00 0.00 C ATOM 1203 C THR A 79 1.840 11.896 -1.984 1.00 0.00 C ATOM 1204 O THR A 79 3.045 11.848 -1.844 1.00 0.00 O ATOM 1205 CB THR A 79 0.346 9.864 -1.989 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.801 10.492 -1.432 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.254 9.372 -0.862 1.00 0.00 C ATOM 0 H THR A 79 2.944 9.826 -3.137 1.00 0.00 H new ATOM 0 HA THR A 79 0.423 11.429 -3.505 1.00 0.00 H new ATOM 0 HB THR A 79 0.040 9.016 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.289 9.849 -0.876 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.712 8.655 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.135 8.892 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.563 10.218 -0.248 1.00 0.00 H new ATOM 1215 N GLN A 80 1.141 12.871 -1.470 1.00 0.00 N ATOM 1216 CA GLN A 80 1.823 13.954 -0.698 1.00 0.00 C ATOM 1217 C GLN A 80 2.563 13.381 0.517 1.00 0.00 C ATOM 1218 O GLN A 80 3.545 13.932 0.970 1.00 0.00 O ATOM 1219 CB GLN A 80 0.698 14.886 -0.245 1.00 0.00 C ATOM 1220 CG GLN A 80 -0.130 14.198 0.843 1.00 0.00 C ATOM 1221 CD GLN A 80 -1.304 15.099 1.234 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -2.238 15.262 0.475 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -1.293 15.698 2.394 1.00 0.00 N ATOM 0 H GLN A 80 0.129 12.966 -1.550 1.00 0.00 H new ATOM 0 HA GLN A 80 2.571 14.469 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.115 15.818 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.062 15.144 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.499 13.238 0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.492 13.994 1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.508 15.561 3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.069 16.303 2.663 1.00 0.00 H new ATOM 1232 N PHE A 81 2.061 12.323 1.091 1.00 0.00 N ATOM 1233 CA PHE A 81 2.697 11.772 2.325 1.00 0.00 C ATOM 1234 C PHE A 81 3.982 11.015 1.975 1.00 0.00 C ATOM 1235 O PHE A 81 4.689 10.542 2.843 1.00 0.00 O ATOM 1236 CB PHE A 81 1.659 10.817 2.915 1.00 0.00 C ATOM 1237 CG PHE A 81 0.433 11.597 3.321 1.00 0.00 C ATOM 1238 CD1 PHE A 81 0.352 12.159 4.603 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.623 11.763 2.415 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -0.786 12.885 4.979 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.761 12.490 2.790 1.00 0.00 C ATOM 1242 CZ PHE A 81 -1.842 13.052 4.073 1.00 0.00 C ATOM 0 H PHE A 81 1.240 11.816 0.761 1.00 0.00 H new ATOM 0 HA PHE A 81 2.976 12.558 3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.392 10.055 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.076 10.298 3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.167 12.032 5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.560 11.331 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.849 13.316 5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.575 12.618 2.092 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.718 13.613 4.362 1.00 0.00 H new ATOM 1252 N GLY A 82 4.242 10.820 0.713 1.00 0.00 N ATOM 1253 CA GLY A 82 5.422 10.005 0.312 1.00 0.00 C ATOM 1254 C GLY A 82 5.016 9.083 -0.836 1.00 0.00 C ATOM 1255 O GLY A 82 4.165 9.416 -1.636 1.00 0.00 O ATOM 0 H GLY A 82 3.688 11.190 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.242 10.654 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.781 9.419 1.158 1.00 0.00 H new ATOM 1259 N TYR A 83 5.534 7.889 -0.869 1.00 0.00 N ATOM 1260 CA TYR A 83 5.072 6.918 -1.899 1.00 0.00 C ATOM 1261 C TYR A 83 4.207 5.839 -1.246 1.00 0.00 C ATOM 1262 O TYR A 83 4.659 5.102 -0.396 1.00 0.00 O ATOM 1263 CB TYR A 83 6.348 6.312 -2.478 1.00 0.00 C ATOM 1264 CG TYR A 83 7.167 7.402 -3.121 1.00 0.00 C ATOM 1265 CD1 TYR A 83 6.954 7.736 -4.466 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.139 8.083 -2.374 1.00 0.00 C ATOM 1267 CE1 TYR A 83 7.712 8.752 -5.064 1.00 0.00 C ATOM 1268 CE2 TYR A 83 8.899 9.098 -2.973 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.685 9.432 -4.318 1.00 0.00 C ATOM 1270 OH TYR A 83 9.431 10.432 -4.908 1.00 0.00 O ATOM 0 H TYR A 83 6.252 7.544 -0.232 1.00 0.00 H new ATOM 0 HA TYR A 83 4.465 7.389 -2.672 1.00 0.00 H new ATOM 0 HB2 TYR A 83 6.923 5.825 -1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.100 5.546 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.206 7.210 -5.041 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.302 7.826 -1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.547 9.011 -6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.649 9.622 -2.399 1.00 0.00 H new ATOM 0 HH TYR A 83 9.573 10.219 -5.854 1.00 0.00 H new ATOM 1280 N HIS A 84 2.993 5.686 -1.694 1.00 0.00 N ATOM 1281 CA HIS A 84 2.142 4.587 -1.151 1.00 0.00 C ATOM 1282 C HIS A 84 2.149 3.394 -2.098 1.00 0.00 C ATOM 1283 O HIS A 84 1.603 3.457 -3.182 1.00 0.00 O ATOM 1284 CB HIS A 84 0.720 5.144 -1.058 1.00 0.00 C ATOM 1285 CG HIS A 84 0.634 6.162 0.044 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.389 7.095 0.107 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.430 6.404 1.135 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.184 7.849 1.202 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.913 7.470 1.865 1.00 0.00 N ATOM 0 H HIS A 84 2.554 6.268 -2.407 1.00 0.00 H new ATOM 0 HA HIS A 84 2.514 4.254 -0.182 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.437 5.599 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.015 4.334 -0.871 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.158 7.192 -0.556 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.322 5.851 1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.827 8.661 1.508 1.00 0.00 H new ATOM 1297 N ILE A 85 2.559 2.256 -1.623 1.00 0.00 N ATOM 1298 CA ILE A 85 2.342 1.026 -2.433 1.00 0.00 C ATOM 1299 C ILE A 85 1.243 0.179 -1.793 1.00 0.00 C ATOM 1300 O ILE A 85 1.250 -0.062 -0.602 1.00 0.00 O ATOM 1301 CB ILE A 85 3.678 0.286 -2.433 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.599 -0.911 -3.384 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.984 -0.205 -1.021 1.00 0.00 C ATOM 1304 CD1 ILE A 85 4.979 -1.180 -3.986 1.00 0.00 C ATOM 0 H ILE A 85 3.027 2.122 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 85 2.023 1.251 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 85 4.468 0.960 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.247 -1.792 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.878 -0.712 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.937 -0.734 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.040 0.647 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.194 -0.880 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.921 -2.032 -4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.313 -0.301 -4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.688 -1.398 -3.187 1.00 0.00 H new ATOM 1316 N ILE A 86 0.199 -0.087 -2.532 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.010 -0.700 -1.913 1.00 0.00 C ATOM 1318 C ILE A 86 -1.246 -2.114 -2.449 1.00 0.00 C ATOM 1319 O ILE A 86 -1.440 -2.313 -3.632 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.162 0.214 -2.323 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.908 1.627 -1.794 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.468 -0.325 -1.735 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.901 2.596 -2.440 1.00 0.00 C ATOM 0 H ILE A 86 0.132 0.093 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.908 -0.790 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.235 0.244 -3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.017 1.647 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.886 1.933 -2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.293 0.325 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.649 -1.332 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.393 -0.353 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.722 3.604 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.770 2.583 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.918 2.292 -2.194 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.439 -3.055 -1.567 1.00 0.00 N ATOM 1336 CA LYS A 87 -1.907 -4.398 -2.006 1.00 0.00 C ATOM 1337 C LYS A 87 -3.421 -4.494 -1.809 1.00 0.00 C ATOM 1338 O LYS A 87 -3.937 -4.168 -0.758 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.186 -5.394 -1.097 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.633 -6.814 -1.448 1.00 0.00 C ATOM 1341 CD LYS A 87 -1.011 -7.805 -0.463 1.00 0.00 C ATOM 1342 CE LYS A 87 0.437 -8.092 -0.872 1.00 0.00 C ATOM 1343 NZ LYS A 87 0.351 -8.750 -2.211 1.00 0.00 N ATOM 0 H LYS A 87 -1.293 -2.952 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.697 -4.592 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.107 -5.300 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.409 -5.178 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.720 -6.883 -1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.332 -7.060 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.041 -7.397 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.587 -8.731 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.020 -7.172 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.928 -8.741 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.713 -9.723 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.640 -8.771 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.920 -8.215 -2.898 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.143 -4.849 -2.838 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.632 -4.854 -2.737 1.00 0.00 C ATOM 1359 C VAL A 88 -6.152 -6.292 -2.661 1.00 0.00 C ATOM 1360 O VAL A 88 -5.707 -7.163 -3.383 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.118 -4.173 -4.017 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.646 -4.091 -4.002 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.533 -2.760 -4.102 1.00 0.00 C ATOM 0 H VAL A 88 -3.768 -5.135 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.988 -4.341 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.792 -4.752 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.993 -3.606 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.064 -5.096 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.971 -3.513 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.881 -2.277 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.857 -2.180 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.445 -2.817 -4.113 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.068 -6.552 -1.769 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.597 -7.919 -1.612 1.00 0.00 C ATOM 1375 C LEU A 89 -9.107 -7.848 -1.371 1.00 0.00 C ATOM 1376 O LEU A 89 -9.630 -6.832 -0.960 1.00 0.00 O ATOM 1377 CB LEU A 89 -6.884 -8.478 -0.381 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.374 -8.494 -0.627 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -4.657 -8.976 0.636 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.055 -9.442 -1.786 1.00 0.00 C ATOM 0 H LEU A 89 -7.472 -5.860 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.432 -8.543 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.114 -7.869 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.239 -9.487 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.036 -7.488 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.581 -8.988 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.883 -8.302 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.995 -9.982 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.979 -9.453 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.393 -10.448 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.566 -9.101 -2.686 1.00 0.00 H new ATOM 1392 N TYR A 90 -9.786 -8.935 -1.581 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.260 -8.999 -1.325 1.00 0.00 C ATOM 1394 C TYR A 90 -12.018 -8.021 -2.228 1.00 0.00 C ATOM 1395 O TYR A 90 -12.847 -8.417 -3.024 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.441 -8.633 0.152 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.254 -9.866 1.001 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -9.978 -10.207 1.470 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -12.356 -10.673 1.318 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -9.804 -11.354 2.257 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -12.182 -11.820 2.105 1.00 0.00 C ATOM 1402 CZ TYR A 90 -10.906 -12.160 2.575 1.00 0.00 C ATOM 1403 OH TYR A 90 -10.734 -13.289 3.350 1.00 0.00 O ATOM 0 H TYR A 90 -9.379 -9.804 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.660 -9.989 -1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.720 -7.868 0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.434 -8.213 0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -9.129 -9.586 1.225 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.339 -10.411 0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.821 -11.617 2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.031 -12.441 2.349 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.598 -13.733 3.477 1.00 0.00 H new ATOM 1413 N ARG A 91 -11.754 -6.750 -2.110 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.475 -5.760 -2.960 1.00 0.00 C ATOM 1415 C ARG A 91 -13.989 -5.925 -2.796 1.00 0.00 C ATOM 1416 O ARG A 91 -14.738 -5.846 -3.749 1.00 0.00 O ATOM 1417 CB ARG A 91 -12.052 -6.083 -4.391 1.00 0.00 C ATOM 1418 CG ARG A 91 -12.464 -4.935 -5.315 1.00 0.00 C ATOM 1419 CD ARG A 91 -11.617 -3.701 -5.001 1.00 0.00 C ATOM 1420 NE ARG A 91 -12.104 -2.650 -5.941 1.00 0.00 N ATOM 1421 CZ ARG A 91 -11.683 -2.624 -7.178 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -10.845 -3.527 -7.611 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -12.108 -1.691 -7.988 1.00 0.00 N ATOM 0 H ARG A 91 -11.072 -6.354 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.237 -4.732 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.973 -6.233 -4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.517 -7.013 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.330 -5.226 -6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.522 -4.707 -5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.741 -3.391 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.556 -3.902 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.769 -1.948 -5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.515 -4.259 -6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.521 -3.500 -8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.766 -0.987 -7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.782 -1.667 -8.954 1.00 0.00 H new