USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 390 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 Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 70:sc= 0.928 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= -0.226 (180deg=-1.3!) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0314 (180deg=-0.313) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -2.57! (180deg=-4.15!) USER MOD Single : A 46 THR OG1 : rot 120:sc= -0.347 USER MOD Single : A 48 ASN :FLIP amide:sc= -11.5! C(o=-13!,f=-11!) USER MOD Single : A 49 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.8) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.099) USER MOD Single : A 56 THR OG1 : rot 56:sc= 0.668 USER MOD Single : A 57 SER OG : rot 180:sc= -0.429 USER MOD Single : A 58 THR OG1 : rot 123:sc= 0.642 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.87) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 0.959 19.650 -5.403 1.00 0.00 N ATOM 2 CA LYS A 21 0.250 18.328 -5.413 1.00 0.00 C ATOM 3 C LYS A 21 -0.089 18.027 -6.861 1.00 0.00 C ATOM 4 O LYS A 21 -0.171 16.899 -7.300 1.00 0.00 O ATOM 5 CB LYS A 21 -1.046 18.398 -4.559 1.00 0.00 C ATOM 6 CG LYS A 21 -0.861 17.676 -3.197 1.00 0.00 C ATOM 7 CD LYS A 21 -1.314 16.205 -3.299 1.00 0.00 C ATOM 8 CE LYS A 21 -2.828 16.102 -3.077 1.00 0.00 C ATOM 9 NZ LYS A 21 -3.237 14.670 -3.117 1.00 0.00 N ATOM 0 HA LYS A 21 0.878 17.546 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.316 19.440 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.871 17.941 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.185 17.720 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.438 18.188 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.054 15.804 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.788 15.602 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.097 16.542 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.359 16.665 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.264 14.598 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.993 14.265 -4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.740 14.146 -2.369 1.00 0.00 H new ATOM 23 N LEU A 22 -0.266 19.069 -7.582 1.00 0.00 N ATOM 24 CA LEU A 22 -0.591 19.000 -9.016 1.00 0.00 C ATOM 25 C LEU A 22 0.275 17.954 -9.739 1.00 0.00 C ATOM 26 O LEU A 22 -0.226 16.990 -10.268 1.00 0.00 O ATOM 27 CB LEU A 22 -0.262 20.396 -9.538 1.00 0.00 C ATOM 28 CG LEU A 22 -0.088 20.426 -11.059 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.327 19.840 -11.744 1.00 0.00 C ATOM 30 CD2 LEU A 22 0.094 21.876 -11.513 1.00 0.00 C ATOM 0 H LEU A 22 -0.196 20.020 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.628 18.708 -9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.058 21.084 -9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.653 20.752 -9.064 1.00 0.00 H new ATOM 0 HG LEU A 22 0.785 19.833 -11.330 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.192 19.867 -12.825 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.468 18.808 -11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.204 20.428 -11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.219 21.905 -12.595 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.784 22.458 -11.233 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.977 22.299 -11.035 1.00 0.00 H new ATOM 42 N LEU A 23 1.565 18.152 -9.779 1.00 0.00 N ATOM 43 CA LEU A 23 2.455 17.198 -10.492 1.00 0.00 C ATOM 44 C LEU A 23 2.816 16.076 -9.551 1.00 0.00 C ATOM 45 O LEU A 23 2.993 14.944 -9.945 1.00 0.00 O ATOM 46 CB LEU A 23 3.705 17.954 -10.948 1.00 0.00 C ATOM 47 CG LEU A 23 4.704 17.016 -11.636 1.00 0.00 C ATOM 48 CD1 LEU A 23 4.095 16.447 -12.926 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.970 17.808 -11.980 1.00 0.00 C ATOM 0 H LEU A 23 2.042 18.941 -9.344 1.00 0.00 H new ATOM 0 HA LEU A 23 1.959 16.773 -11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.420 18.752 -11.634 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.180 18.427 -10.089 1.00 0.00 H new ATOM 0 HG LEU A 23 4.946 16.191 -10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.814 15.783 -13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.190 15.890 -12.686 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.849 17.265 -13.604 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.688 17.151 -12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.715 18.630 -12.649 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.409 18.208 -11.066 1.00 0.00 H new ATOM 61 N ILE A 24 2.894 16.376 -8.302 1.00 0.00 N ATOM 62 CA ILE A 24 3.214 15.319 -7.330 1.00 0.00 C ATOM 63 C ILE A 24 2.065 14.319 -7.414 1.00 0.00 C ATOM 64 O ILE A 24 2.147 13.204 -6.941 1.00 0.00 O ATOM 65 CB ILE A 24 3.334 15.910 -5.905 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.873 17.398 -5.953 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.250 14.998 -5.066 1.00 0.00 C ATOM 68 CD1 ILE A 24 5.148 17.576 -5.110 1.00 0.00 C ATOM 0 H ILE A 24 2.750 17.307 -7.910 1.00 0.00 H new ATOM 0 HA ILE A 24 4.170 14.843 -7.550 1.00 0.00 H new ATOM 0 HB ILE A 24 2.350 15.949 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.080 17.676 -6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.100 18.076 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.343 15.404 -4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.820 13.998 -5.016 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.235 14.947 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.483 18.611 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.935 17.324 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.930 16.918 -5.490 1.00 0.00 H new ATOM 80 N THR A 25 0.987 14.736 -8.039 1.00 0.00 N ATOM 81 CA THR A 25 -0.198 13.843 -8.196 1.00 0.00 C ATOM 82 C THR A 25 -0.144 13.154 -9.567 1.00 0.00 C ATOM 83 O THR A 25 -0.351 11.962 -9.672 1.00 0.00 O ATOM 84 CB THR A 25 -1.477 14.681 -8.093 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.635 15.137 -6.756 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.691 13.835 -8.486 1.00 0.00 C ATOM 0 H THR A 25 0.881 15.664 -8.448 1.00 0.00 H new ATOM 0 HA THR A 25 -0.192 13.085 -7.412 1.00 0.00 H new ATOM 0 HB THR A 25 -1.401 15.533 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.953 15.812 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.595 14.439 -8.410 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.574 13.485 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.769 12.978 -7.817 1.00 0.00 H new ATOM 94 N ILE A 26 0.137 13.884 -10.620 1.00 0.00 N ATOM 95 CA ILE A 26 0.199 13.236 -11.968 1.00 0.00 C ATOM 96 C ILE A 26 1.363 12.276 -11.975 1.00 0.00 C ATOM 97 O ILE A 26 1.261 11.113 -12.312 1.00 0.00 O ATOM 98 CB ILE A 26 0.441 14.318 -13.054 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.902 14.923 -13.521 1.00 0.00 C ATOM 100 CG2 ILE A 26 1.148 13.707 -14.284 1.00 0.00 C ATOM 101 CD1 ILE A 26 -1.435 15.904 -12.484 1.00 0.00 C ATOM 0 H ILE A 26 0.324 14.887 -10.606 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.736 12.715 -12.175 1.00 0.00 H new ATOM 0 HB ILE A 26 1.068 15.093 -12.613 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.766 15.432 -14.475 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.629 14.127 -13.685 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.308 14.482 -15.034 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.109 13.290 -13.982 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.526 12.917 -14.706 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.381 16.320 -12.830 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.591 15.385 -11.538 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.715 16.710 -12.341 1.00 0.00 H new ATOM 113 N HIS A 27 2.465 12.803 -11.628 1.00 0.00 N ATOM 114 CA HIS A 27 3.716 12.033 -11.610 1.00 0.00 C ATOM 115 C HIS A 27 3.588 10.854 -10.635 1.00 0.00 C ATOM 116 O HIS A 27 4.394 9.945 -10.639 1.00 0.00 O ATOM 117 CB HIS A 27 4.824 13.006 -11.193 1.00 0.00 C ATOM 118 CG HIS A 27 6.082 12.728 -11.957 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.173 12.071 -11.413 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.420 13.028 -13.246 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.115 11.998 -12.374 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.705 12.567 -13.513 1.00 0.00 N ATOM 0 H HIS A 27 2.565 13.777 -11.342 1.00 0.00 H new ATOM 0 HA HIS A 27 3.947 11.606 -12.586 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.502 14.032 -11.373 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.013 12.914 -10.124 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.786 13.545 -13.951 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.082 11.537 -12.241 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.223 12.646 -14.388 1.00 0.00 H new ATOM 130 N ASP A 28 2.563 10.858 -9.820 1.00 0.00 N ATOM 131 CA ASP A 28 2.345 9.736 -8.853 1.00 0.00 C ATOM 132 C ASP A 28 1.124 8.934 -9.305 1.00 0.00 C ATOM 133 O ASP A 28 1.039 7.739 -9.104 1.00 0.00 O ATOM 134 CB ASP A 28 2.085 10.306 -7.458 1.00 0.00 C ATOM 135 CG ASP A 28 3.379 10.894 -6.895 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.040 11.621 -7.619 1.00 0.00 O ATOM 137 OD2 ASP A 28 3.689 10.607 -5.750 1.00 0.00 O ATOM 0 H ASP A 28 1.861 11.597 -9.782 1.00 0.00 H new ATOM 0 HA ASP A 28 3.227 9.096 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.315 11.076 -7.506 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.712 9.523 -6.798 1.00 0.00 H new ATOM 142 N ARG A 29 0.179 9.591 -9.924 1.00 0.00 N ATOM 143 CA ARG A 29 -1.041 8.885 -10.406 1.00 0.00 C ATOM 144 C ARG A 29 -0.630 7.625 -11.169 1.00 0.00 C ATOM 145 O ARG A 29 -1.342 6.641 -11.192 1.00 0.00 O ATOM 146 CB ARG A 29 -1.812 9.812 -11.354 1.00 0.00 C ATOM 147 CG ARG A 29 -3.170 9.188 -11.740 1.00 0.00 C ATOM 148 CD ARG A 29 -4.239 9.573 -10.710 1.00 0.00 C ATOM 149 NE ARG A 29 -5.496 8.828 -11.000 1.00 0.00 N ATOM 150 CZ ARG A 29 -6.440 8.767 -10.101 1.00 0.00 C ATOM 151 NH1 ARG A 29 -6.285 9.361 -8.950 1.00 0.00 N ATOM 152 NH2 ARG A 29 -7.541 8.112 -10.354 1.00 0.00 N ATOM 0 H ARG A 29 0.201 10.592 -10.117 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.667 8.613 -9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.973 10.778 -10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.222 9.995 -12.252 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.468 9.531 -12.731 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.079 8.103 -11.793 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.890 9.342 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.423 10.647 -10.745 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.619 8.366 -11.901 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.426 9.874 -8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.023 9.313 -8.248 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.663 7.648 -11.254 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.279 8.064 -9.651 1.00 0.00 H new ATOM 166 N LYS A 30 0.506 7.657 -11.806 1.00 0.00 N ATOM 167 CA LYS A 30 0.960 6.472 -12.586 1.00 0.00 C ATOM 168 C LYS A 30 0.769 5.195 -11.764 1.00 0.00 C ATOM 169 O LYS A 30 0.115 4.266 -12.192 1.00 0.00 O ATOM 170 CB LYS A 30 2.439 6.631 -12.945 1.00 0.00 C ATOM 171 CG LYS A 30 2.808 5.626 -14.042 1.00 0.00 C ATOM 172 CD LYS A 30 4.323 5.656 -14.303 1.00 0.00 C ATOM 173 CE LYS A 30 4.680 6.830 -15.221 1.00 0.00 C ATOM 174 NZ LYS A 30 3.907 6.726 -16.492 1.00 0.00 N ATOM 0 H LYS A 30 1.142 8.455 -11.820 1.00 0.00 H new ATOM 0 HA LYS A 30 0.367 6.400 -13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.634 7.647 -13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.058 6.467 -12.063 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.503 4.623 -13.744 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.269 5.864 -14.959 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.860 5.747 -13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.639 4.718 -14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.456 7.774 -14.724 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.749 6.827 -15.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.522 6.974 -17.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.561 5.752 -16.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.098 7.379 -16.461 1.00 0.00 H new ATOM 188 N GLU A 31 1.333 5.136 -10.588 1.00 0.00 N ATOM 189 CA GLU A 31 1.175 3.910 -9.756 1.00 0.00 C ATOM 190 C GLU A 31 -0.316 3.643 -9.530 1.00 0.00 C ATOM 191 O GLU A 31 -0.788 2.535 -9.691 1.00 0.00 O ATOM 192 CB GLU A 31 1.874 4.106 -8.406 1.00 0.00 C ATOM 193 CG GLU A 31 3.183 4.871 -8.611 1.00 0.00 C ATOM 194 CD GLU A 31 4.055 4.738 -7.361 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.278 3.617 -6.934 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.485 5.760 -6.852 1.00 0.00 O ATOM 0 H GLU A 31 1.893 5.879 -10.170 1.00 0.00 H new ATOM 0 HA GLU A 31 1.625 3.061 -10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.224 4.655 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.075 3.139 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.713 4.480 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.974 5.922 -8.811 1.00 0.00 H new ATOM 203 N PHE A 32 -1.062 4.652 -9.166 1.00 0.00 N ATOM 204 CA PHE A 32 -2.508 4.462 -8.940 1.00 0.00 C ATOM 205 C PHE A 32 -3.155 4.082 -10.267 1.00 0.00 C ATOM 206 O PHE A 32 -4.146 3.383 -10.323 1.00 0.00 O ATOM 207 CB PHE A 32 -3.085 5.784 -8.409 1.00 0.00 C ATOM 208 CG PHE A 32 -3.115 5.776 -6.891 1.00 0.00 C ATOM 209 CD1 PHE A 32 -3.879 4.818 -6.212 1.00 0.00 C ATOM 210 CD2 PHE A 32 -2.380 6.726 -6.165 1.00 0.00 C ATOM 211 CE1 PHE A 32 -3.909 4.809 -4.813 1.00 0.00 C ATOM 212 CE2 PHE A 32 -2.411 6.715 -4.766 1.00 0.00 C ATOM 213 CZ PHE A 32 -3.176 5.756 -4.090 1.00 0.00 C ATOM 0 H PHE A 32 -0.722 5.602 -9.017 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.700 3.671 -8.215 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.481 6.620 -8.763 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.092 5.931 -8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.445 4.086 -6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.790 7.466 -6.686 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.499 4.070 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.845 7.446 -4.208 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.200 5.748 -3.010 1.00 0.00 H new ATOM 223 N ALA A 33 -2.576 4.535 -11.331 1.00 0.00 N ATOM 224 CA ALA A 33 -3.113 4.213 -12.682 1.00 0.00 C ATOM 225 C ALA A 33 -2.564 2.856 -13.117 1.00 0.00 C ATOM 226 O ALA A 33 -3.142 2.175 -13.934 1.00 0.00 O ATOM 227 CB ALA A 33 -2.673 5.287 -13.678 1.00 0.00 C ATOM 0 H ALA A 33 -1.742 5.123 -11.329 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.202 4.181 -12.651 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.067 5.050 -14.666 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.054 6.257 -13.359 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.584 5.320 -13.720 1.00 0.00 H new ATOM 233 N LYS A 34 -1.444 2.459 -12.577 1.00 0.00 N ATOM 234 CA LYS A 34 -0.856 1.141 -12.953 1.00 0.00 C ATOM 235 C LYS A 34 -1.452 0.040 -12.071 1.00 0.00 C ATOM 236 O LYS A 34 -2.059 -0.896 -12.554 1.00 0.00 O ATOM 237 CB LYS A 34 0.661 1.183 -12.759 1.00 0.00 C ATOM 238 CG LYS A 34 1.296 -0.039 -13.425 1.00 0.00 C ATOM 239 CD LYS A 34 2.807 -0.030 -13.177 1.00 0.00 C ATOM 240 CE LYS A 34 3.411 -1.356 -13.644 1.00 0.00 C ATOM 241 NZ LYS A 34 3.157 -1.533 -15.102 1.00 0.00 N ATOM 0 H LYS A 34 -0.910 2.991 -11.890 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.084 0.931 -13.998 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.068 2.098 -13.190 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.902 1.197 -11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.857 -0.953 -13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.093 -0.029 -14.496 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.269 0.800 -13.712 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.011 0.121 -12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.483 -1.369 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.974 -2.184 -13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.782 -2.275 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.165 -1.808 -15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.346 -0.639 -15.598 1.00 0.00 H new ATOM 255 N PHE A 35 -1.270 0.140 -10.782 1.00 0.00 N ATOM 256 CA PHE A 35 -1.811 -0.907 -9.866 1.00 0.00 C ATOM 257 C PHE A 35 -3.293 -1.128 -10.144 1.00 0.00 C ATOM 258 O PHE A 35 -3.891 -2.071 -9.672 1.00 0.00 O ATOM 259 CB PHE A 35 -1.604 -0.470 -8.406 1.00 0.00 C ATOM 260 CG PHE A 35 -1.594 -1.682 -7.498 1.00 0.00 C ATOM 261 CD1 PHE A 35 -0.577 -2.637 -7.623 1.00 0.00 C ATOM 262 CD2 PHE A 35 -2.597 -1.852 -6.533 1.00 0.00 C ATOM 263 CE1 PHE A 35 -0.561 -3.759 -6.785 1.00 0.00 C ATOM 264 CE2 PHE A 35 -2.581 -2.974 -5.695 1.00 0.00 C ATOM 265 CZ PHE A 35 -1.562 -3.927 -5.821 1.00 0.00 C ATOM 0 H PHE A 35 -0.770 0.901 -10.323 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.281 -1.844 -10.037 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.664 0.074 -8.310 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.399 0.213 -8.106 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.196 -2.508 -8.366 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.382 -1.117 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.224 -4.495 -6.883 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.354 -3.104 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.549 -4.792 -5.174 1.00 0.00 H new ATOM 275 N GLU A 36 -3.889 -0.275 -10.909 1.00 0.00 N ATOM 276 CA GLU A 36 -5.329 -0.448 -11.220 1.00 0.00 C ATOM 277 C GLU A 36 -5.543 -1.798 -11.904 1.00 0.00 C ATOM 278 O GLU A 36 -6.446 -2.541 -11.595 1.00 0.00 O ATOM 279 CB GLU A 36 -5.793 0.717 -12.102 1.00 0.00 C ATOM 280 CG GLU A 36 -5.374 0.465 -13.535 1.00 0.00 C ATOM 281 CD GLU A 36 -5.650 1.707 -14.384 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.452 2.525 -13.961 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.055 1.821 -15.443 1.00 0.00 O ATOM 0 H GLU A 36 -3.445 0.538 -11.336 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.923 -0.440 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.876 0.823 -12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.361 1.652 -11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.314 0.215 -13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.918 -0.390 -13.937 1.00 0.00 H new ATOM 290 N GLU A 37 -4.710 -2.103 -12.833 1.00 0.00 N ATOM 291 CA GLU A 37 -4.839 -3.392 -13.570 1.00 0.00 C ATOM 292 C GLU A 37 -5.035 -4.550 -12.586 1.00 0.00 C ATOM 293 O GLU A 37 -5.594 -5.574 -12.929 1.00 0.00 O ATOM 294 CB GLU A 37 -3.571 -3.633 -14.391 1.00 0.00 C ATOM 295 CG GLU A 37 -3.823 -4.754 -15.403 1.00 0.00 C ATOM 296 CD GLU A 37 -4.705 -4.230 -16.538 1.00 0.00 C ATOM 297 OE1 GLU A 37 -4.449 -3.131 -17.002 1.00 0.00 O ATOM 298 OE2 GLU A 37 -5.621 -4.938 -16.923 1.00 0.00 O ATOM 0 H GLU A 37 -3.930 -1.515 -13.127 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.705 -3.339 -14.230 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.282 -2.719 -14.909 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.745 -3.902 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.876 -5.117 -15.802 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.307 -5.599 -14.913 1.00 0.00 H new ATOM 305 N GLU A 38 -4.562 -4.416 -11.375 1.00 0.00 N ATOM 306 CA GLU A 38 -4.701 -5.513 -10.396 1.00 0.00 C ATOM 307 C GLU A 38 -6.063 -5.453 -9.690 1.00 0.00 C ATOM 308 O GLU A 38 -6.847 -6.380 -9.750 1.00 0.00 O ATOM 309 CB GLU A 38 -3.590 -5.328 -9.364 1.00 0.00 C ATOM 310 CG GLU A 38 -2.257 -5.810 -9.944 1.00 0.00 C ATOM 311 CD GLU A 38 -1.152 -5.640 -8.900 1.00 0.00 C ATOM 312 OE1 GLU A 38 -1.251 -6.260 -7.855 1.00 0.00 O ATOM 313 OE2 GLU A 38 -0.224 -4.893 -9.165 1.00 0.00 O ATOM 0 H GLU A 38 -4.083 -3.585 -11.028 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.631 -6.477 -10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.515 -4.278 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.826 -5.886 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.334 -6.856 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.013 -5.243 -10.842 1.00 0.00 H new ATOM 320 N ARG A 39 -6.328 -4.374 -8.997 1.00 0.00 N ATOM 321 CA ARG A 39 -7.615 -4.223 -8.241 1.00 0.00 C ATOM 322 C ARG A 39 -8.494 -3.141 -8.845 1.00 0.00 C ATOM 323 O ARG A 39 -9.411 -2.719 -8.197 1.00 0.00 O ATOM 324 CB ARG A 39 -7.344 -3.916 -6.766 1.00 0.00 C ATOM 325 CG ARG A 39 -6.093 -3.034 -6.633 1.00 0.00 C ATOM 326 CD ARG A 39 -6.275 -2.076 -5.458 1.00 0.00 C ATOM 327 NE ARG A 39 -7.103 -2.728 -4.387 1.00 0.00 N ATOM 328 CZ ARG A 39 -7.091 -2.233 -3.177 1.00 0.00 C ATOM 329 NH1 ARG A 39 -6.340 -1.200 -2.906 1.00 0.00 N ATOM 330 NH2 ARG A 39 -7.825 -2.767 -2.241 1.00 0.00 N ATOM 0 H ARG A 39 -5.697 -3.576 -8.920 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.148 -5.171 -8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.204 -3.410 -6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.205 -4.845 -6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.211 -3.655 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.930 -2.473 -7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.303 -1.792 -5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.759 -1.160 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.669 -3.549 -4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.765 -0.782 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.328 -0.811 -1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.412 -3.574 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.812 -2.377 -1.298 1.00 0.00 H new ATOM 344 N ALA A 40 -8.214 -2.672 -10.041 1.00 0.00 N ATOM 345 CA ALA A 40 -9.045 -1.581 -10.736 1.00 0.00 C ATOM 346 C ALA A 40 -10.525 -1.546 -10.291 1.00 0.00 C ATOM 347 O ALA A 40 -11.374 -0.951 -10.919 1.00 0.00 O ATOM 348 CB ALA A 40 -8.967 -1.777 -12.263 1.00 0.00 C ATOM 0 H ALA A 40 -7.423 -2.999 -10.596 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.614 -0.624 -10.441 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.555 -1.005 -12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.928 -1.706 -12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.362 -2.759 -12.524 1.00 0.00 H new ATOM 354 N ARG A 41 -10.807 -2.178 -9.233 1.00 0.00 N ATOM 355 CA ARG A 41 -12.132 -2.249 -8.654 1.00 0.00 C ATOM 356 C ARG A 41 -12.272 -1.132 -7.624 1.00 0.00 C ATOM 357 O ARG A 41 -13.352 -0.784 -7.229 1.00 0.00 O ATOM 358 CB ARG A 41 -12.164 -3.583 -7.960 1.00 0.00 C ATOM 359 CG ARG A 41 -11.959 -4.735 -9.003 1.00 0.00 C ATOM 360 CD ARG A 41 -10.916 -5.784 -8.527 1.00 0.00 C ATOM 361 NE ARG A 41 -9.961 -6.105 -9.643 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.385 -6.349 -10.858 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.662 -6.419 -11.113 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.521 -6.558 -11.815 1.00 0.00 N ATOM 0 H ARG A 41 -10.108 -2.694 -8.699 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.931 -2.144 -9.388 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.383 -3.626 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.116 -3.712 -7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.912 -5.231 -9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.635 -4.309 -9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.367 -5.399 -7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.424 -6.691 -8.200 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.960 -6.133 -9.449 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.340 -6.283 -10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.983 -6.609 -12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.521 -6.531 -11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.846 -6.748 -12.763 1.00 0.00 H new ATOM 378 N ALA A 42 -11.177 -0.575 -7.175 1.00 0.00 N ATOM 379 CA ALA A 42 -11.275 0.502 -6.138 1.00 0.00 C ATOM 380 C ALA A 42 -12.186 1.603 -6.620 1.00 0.00 C ATOM 381 O ALA A 42 -13.014 2.130 -5.904 1.00 0.00 O ATOM 382 CB ALA A 42 -9.885 1.069 -5.844 1.00 0.00 C ATOM 0 H ALA A 42 -10.231 -0.813 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.688 0.076 -5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.963 1.852 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.238 0.273 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.462 1.487 -6.757 1.00 0.00 H new ATOM 388 N LYS A 43 -12.021 1.933 -7.828 1.00 0.00 N ATOM 389 CA LYS A 43 -12.829 2.993 -8.464 1.00 0.00 C ATOM 390 C LYS A 43 -14.310 2.666 -8.463 1.00 0.00 C ATOM 391 O LYS A 43 -15.135 3.553 -8.560 1.00 0.00 O ATOM 392 CB LYS A 43 -12.353 3.157 -9.899 1.00 0.00 C ATOM 393 CG LYS A 43 -11.905 1.790 -10.504 1.00 0.00 C ATOM 394 CD LYS A 43 -10.412 1.842 -10.909 1.00 0.00 C ATOM 395 CE LYS A 43 -10.162 2.986 -11.920 1.00 0.00 C ATOM 396 NZ LYS A 43 -11.440 3.368 -12.587 1.00 0.00 N ATOM 0 H LYS A 43 -11.332 1.503 -8.445 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.699 3.913 -7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.154 3.581 -10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.522 3.862 -9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.063 0.994 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.516 1.553 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.794 1.991 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.115 0.890 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.738 3.849 -11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.433 2.670 -12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.233 3.825 -13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.015 2.517 -12.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.965 4.029 -11.979 1.00 0.00 H new ATOM 410 N TRP A 44 -14.669 1.430 -8.358 1.00 0.00 N ATOM 411 CA TRP A 44 -16.138 1.107 -8.356 1.00 0.00 C ATOM 412 C TRP A 44 -16.415 -0.128 -7.511 1.00 0.00 C ATOM 413 O TRP A 44 -17.420 -0.794 -7.665 1.00 0.00 O ATOM 414 CB TRP A 44 -16.652 0.888 -9.780 1.00 0.00 C ATOM 415 CG TRP A 44 -15.645 0.139 -10.523 1.00 0.00 C ATOM 416 CD1 TRP A 44 -14.736 0.719 -11.273 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.417 -1.293 -10.607 1.00 0.00 C ATOM 418 NE1 TRP A 44 -13.906 -0.240 -11.796 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.287 -1.504 -11.418 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.059 -2.411 -10.059 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.795 -2.777 -11.672 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.575 -3.706 -10.321 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.438 -3.886 -11.120 1.00 0.00 C ATOM 0 H TRP A 44 -14.037 0.634 -8.274 1.00 0.00 H new ATOM 0 HA TRP A 44 -16.665 1.957 -7.923 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -17.595 0.342 -9.763 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -16.847 1.845 -10.264 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -14.655 1.781 -11.450 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.104 -0.039 -12.393 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -16.929 -2.278 -9.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.921 -2.908 -12.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -16.082 -4.564 -9.905 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -14.060 -4.880 -11.308 1.00 0.00 H new ATOM 434 N ASP A 45 -15.520 -0.446 -6.639 1.00 0.00 N ATOM 435 CA ASP A 45 -15.699 -1.659 -5.786 1.00 0.00 C ATOM 436 C ASP A 45 -14.605 -1.743 -4.748 1.00 0.00 C ATOM 437 O ASP A 45 -14.841 -1.646 -3.564 1.00 0.00 O ATOM 438 CB ASP A 45 -15.630 -2.910 -6.681 1.00 0.00 C ATOM 439 CG ASP A 45 -17.042 -3.499 -6.901 1.00 0.00 C ATOM 440 OD1 ASP A 45 -17.844 -3.438 -5.983 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.290 -4.013 -7.978 1.00 0.00 O ATOM 0 H ASP A 45 -14.662 0.079 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.663 -1.598 -5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.184 -2.653 -7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.985 -3.659 -6.220 1.00 0.00 H new ATOM 446 N THR A 46 -13.433 -1.999 -5.212 1.00 0.00 N ATOM 447 CA THR A 46 -12.261 -2.186 -4.324 1.00 0.00 C ATOM 448 C THR A 46 -12.323 -3.597 -3.831 1.00 0.00 C ATOM 449 O THR A 46 -11.329 -4.268 -3.702 1.00 0.00 O ATOM 450 CB THR A 46 -12.250 -1.147 -3.168 1.00 0.00 C ATOM 451 OG1 THR A 46 -10.958 -0.562 -3.100 1.00 0.00 O ATOM 452 CG2 THR A 46 -12.576 -1.777 -1.798 1.00 0.00 C ATOM 0 H THR A 46 -13.224 -2.091 -6.206 1.00 0.00 H new ATOM 0 HA THR A 46 -11.327 -2.018 -4.861 1.00 0.00 H new ATOM 0 HB THR A 46 -13.020 -0.406 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.029 0.405 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.554 -1.006 -1.028 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.568 -2.228 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.837 -2.543 -1.565 1.00 0.00 H new ATOM 460 N ALA A 47 -13.505 -4.047 -3.574 1.00 0.00 N ATOM 461 CA ALA A 47 -13.691 -5.443 -3.098 1.00 0.00 C ATOM 462 C ALA A 47 -14.297 -6.315 -4.182 1.00 0.00 C ATOM 463 O ALA A 47 -13.881 -7.442 -4.354 1.00 0.00 O ATOM 464 CB ALA A 47 -14.590 -5.454 -1.861 1.00 0.00 C ATOM 0 H ALA A 47 -14.365 -3.507 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.712 -5.849 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.723 -6.480 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.128 -4.863 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.561 -5.027 -2.113 1.00 0.00 H new ATOM 470 N ASN A 48 -15.277 -5.809 -4.893 1.00 0.00 N ATOM 471 CA ASN A 48 -15.963 -6.628 -5.978 1.00 0.00 C ATOM 472 C ASN A 48 -15.806 -8.131 -5.675 1.00 0.00 C ATOM 473 O ASN A 48 -16.088 -8.601 -4.591 1.00 0.00 O ATOM 474 CB ASN A 48 -15.315 -6.358 -7.345 1.00 0.00 C ATOM 475 CG ASN A 48 -13.846 -6.766 -7.284 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.018 -6.078 -6.547 1.00 0.00 O flip ATOM 477 ND2 ASN A 48 -13.453 -7.734 -7.904 1.00 0.00 N flip ATOM 0 H ASN A 48 -15.641 -4.863 -4.778 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.015 -6.345 -5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.830 -6.920 -8.124 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.403 -5.302 -7.602 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.103 -8.270 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.473 -8.011 -7.849 1.00 0.00 H new ATOM 484 N ASN A 49 -15.288 -8.856 -6.623 1.00 0.00 N ATOM 485 CA ASN A 49 -15.008 -10.293 -6.448 1.00 0.00 C ATOM 486 C ASN A 49 -13.725 -10.395 -5.591 1.00 0.00 C ATOM 487 O ASN A 49 -12.912 -9.495 -5.637 1.00 0.00 O ATOM 488 CB ASN A 49 -14.755 -10.880 -7.848 1.00 0.00 C ATOM 489 CG ASN A 49 -15.550 -12.158 -8.058 1.00 0.00 C ATOM 490 OD1 ASN A 49 -15.024 -13.252 -8.015 1.00 0.00 O ATOM 491 ND2 ASN A 49 -16.805 -12.036 -8.302 1.00 0.00 N ATOM 0 H ASN A 49 -15.041 -8.491 -7.543 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.826 -10.829 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.030 -10.148 -8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.692 -11.085 -7.973 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.376 -12.866 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.231 -11.110 -8.334 1.00 0.00 H new ATOM 498 N PRO A 50 -13.559 -11.453 -4.831 1.00 0.00 N ATOM 499 CA PRO A 50 -12.358 -11.591 -3.990 1.00 0.00 C ATOM 500 C PRO A 50 -11.085 -11.344 -4.793 1.00 0.00 C ATOM 501 O PRO A 50 -10.010 -11.237 -4.249 1.00 0.00 O ATOM 502 CB PRO A 50 -12.435 -13.017 -3.402 1.00 0.00 C ATOM 503 CG PRO A 50 -13.787 -13.635 -3.871 1.00 0.00 C ATOM 504 CD PRO A 50 -14.510 -12.577 -4.741 1.00 0.00 C ATOM 0 HA PRO A 50 -12.324 -10.848 -3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.596 -13.621 -3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.382 -12.988 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.613 -14.547 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.401 -13.909 -3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.750 -12.973 -5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.450 -12.265 -4.286 1.00 0.00 H new ATOM 512 N LEU A 51 -11.223 -11.194 -6.062 1.00 0.00 N ATOM 513 CA LEU A 51 -10.067 -10.876 -6.943 1.00 0.00 C ATOM 514 C LEU A 51 -9.170 -9.858 -6.260 1.00 0.00 C ATOM 515 O LEU A 51 -7.968 -9.986 -6.131 1.00 0.00 O ATOM 516 CB LEU A 51 -10.693 -10.196 -8.140 1.00 0.00 C ATOM 517 CG LEU A 51 -9.770 -10.187 -9.380 1.00 0.00 C ATOM 518 CD1 LEU A 51 -8.325 -9.834 -9.004 1.00 0.00 C ATOM 519 CD2 LEU A 51 -9.791 -11.559 -10.067 1.00 0.00 C ATOM 0 H LEU A 51 -12.114 -11.279 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.480 -11.761 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.625 -10.701 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.948 -9.170 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.147 -9.425 -10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.705 -9.837 -9.900 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.299 -8.844 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.943 -10.570 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.137 -11.539 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.443 -12.321 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.808 -11.793 -10.382 1.00 0.00 H new ATOM 531 N TYR A 52 -9.827 -8.843 -5.849 1.00 0.00 N ATOM 532 CA TYR A 52 -9.215 -7.698 -5.165 1.00 0.00 C ATOM 533 C TYR A 52 -8.382 -8.263 -4.025 1.00 0.00 C ATOM 534 O TYR A 52 -7.304 -7.799 -3.713 1.00 0.00 O ATOM 535 CB TYR A 52 -10.370 -6.801 -4.682 1.00 0.00 C ATOM 536 CG TYR A 52 -10.421 -6.797 -3.161 1.00 0.00 C ATOM 537 CD1 TYR A 52 -11.144 -7.788 -2.482 1.00 0.00 C ATOM 538 CD2 TYR A 52 -9.727 -5.822 -2.437 1.00 0.00 C ATOM 539 CE1 TYR A 52 -11.179 -7.794 -1.083 1.00 0.00 C ATOM 540 CE2 TYR A 52 -9.760 -5.829 -1.038 1.00 0.00 C ATOM 541 CZ TYR A 52 -10.487 -6.815 -0.361 1.00 0.00 C ATOM 542 OH TYR A 52 -10.519 -6.824 1.019 1.00 0.00 O ATOM 0 H TYR A 52 -10.836 -8.752 -5.967 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.561 -7.096 -5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.233 -5.785 -5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.316 -7.162 -5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.674 -8.547 -3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.164 -5.062 -2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -11.740 -8.554 -0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.225 -5.074 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.986 -6.077 1.363 1.00 0.00 H new ATOM 552 N LYS A 53 -8.891 -9.304 -3.432 1.00 0.00 N ATOM 553 CA LYS A 53 -8.164 -9.973 -2.333 1.00 0.00 C ATOM 554 C LYS A 53 -7.175 -10.930 -2.962 1.00 0.00 C ATOM 555 O LYS A 53 -6.195 -11.323 -2.360 1.00 0.00 O ATOM 556 CB LYS A 53 -9.139 -10.745 -1.431 1.00 0.00 C ATOM 557 CG LYS A 53 -8.396 -11.305 -0.182 1.00 0.00 C ATOM 558 CD LYS A 53 -9.177 -10.984 1.101 1.00 0.00 C ATOM 559 CE LYS A 53 -10.479 -11.787 1.128 1.00 0.00 C ATOM 560 NZ LYS A 53 -10.182 -13.205 1.477 1.00 0.00 N ATOM 0 H LYS A 53 -9.791 -9.721 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.653 -9.235 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.950 -10.088 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.591 -11.564 -1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.273 -12.384 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.397 -10.874 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.572 -11.224 1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.396 -9.917 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.168 -11.359 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.970 -11.736 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.068 -13.698 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.728 -13.674 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.543 -13.234 2.297 1.00 0.00 H new ATOM 574 N GLU A 54 -7.419 -11.303 -4.191 1.00 0.00 N ATOM 575 CA GLU A 54 -6.461 -12.240 -4.869 1.00 0.00 C ATOM 576 C GLU A 54 -5.322 -11.437 -5.471 1.00 0.00 C ATOM 577 O GLU A 54 -4.221 -11.920 -5.644 1.00 0.00 O ATOM 578 CB GLU A 54 -7.143 -13.046 -5.977 1.00 0.00 C ATOM 579 CG GLU A 54 -8.371 -13.779 -5.421 1.00 0.00 C ATOM 580 CD GLU A 54 -8.747 -14.937 -6.350 1.00 0.00 C ATOM 581 OE1 GLU A 54 -7.911 -15.801 -6.557 1.00 0.00 O ATOM 582 OE2 GLU A 54 -9.865 -14.937 -6.839 1.00 0.00 O ATOM 0 H GLU A 54 -8.221 -11.010 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.089 -12.940 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.443 -12.382 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.441 -13.766 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.159 -14.157 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.208 -13.087 -5.329 1.00 0.00 H new ATOM 589 N ALA A 55 -5.579 -10.208 -5.784 1.00 0.00 N ATOM 590 CA ALA A 55 -4.512 -9.354 -6.370 1.00 0.00 C ATOM 591 C ALA A 55 -3.303 -9.385 -5.440 1.00 0.00 C ATOM 592 O ALA A 55 -2.169 -9.367 -5.875 1.00 0.00 O ATOM 593 CB ALA A 55 -5.022 -7.917 -6.513 1.00 0.00 C ATOM 0 H ALA A 55 -6.483 -9.752 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.233 -9.726 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.238 -7.294 -6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.895 -7.904 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.297 -7.529 -5.532 1.00 0.00 H new ATOM 599 N THR A 56 -3.539 -9.453 -4.159 1.00 0.00 N ATOM 600 CA THR A 56 -2.416 -9.510 -3.200 1.00 0.00 C ATOM 601 C THR A 56 -1.882 -10.935 -3.200 1.00 0.00 C ATOM 602 O THR A 56 -0.700 -11.184 -3.064 1.00 0.00 O ATOM 603 CB THR A 56 -2.944 -9.130 -1.808 1.00 0.00 C ATOM 604 OG1 THR A 56 -4.344 -9.361 -1.762 1.00 0.00 O ATOM 605 CG2 THR A 56 -2.668 -7.650 -1.516 1.00 0.00 C ATOM 0 H THR A 56 -4.469 -9.471 -3.739 1.00 0.00 H new ATOM 0 HA THR A 56 -1.618 -8.820 -3.473 1.00 0.00 H new ATOM 0 HB THR A 56 -2.437 -9.738 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.529 -10.295 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.048 -7.397 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.594 -7.467 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.165 -7.033 -2.264 1.00 0.00 H new ATOM 613 N SER A 57 -2.762 -11.862 -3.376 1.00 0.00 N ATOM 614 CA SER A 57 -2.357 -13.289 -3.419 1.00 0.00 C ATOM 615 C SER A 57 -1.424 -13.481 -4.610 1.00 0.00 C ATOM 616 O SER A 57 -0.643 -14.409 -4.662 1.00 0.00 O ATOM 617 CB SER A 57 -3.593 -14.172 -3.582 1.00 0.00 C ATOM 618 OG SER A 57 -4.546 -13.837 -2.583 1.00 0.00 O ATOM 0 H SER A 57 -3.761 -11.695 -3.494 1.00 0.00 H new ATOM 0 HA SER A 57 -1.851 -13.566 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.025 -14.033 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.316 -15.223 -3.499 1.00 0.00 H new ATOM 0 HG SER A 57 -5.341 -14.401 -2.687 1.00 0.00 H new ATOM 624 N THR A 58 -1.499 -12.594 -5.569 1.00 0.00 N ATOM 625 CA THR A 58 -0.622 -12.699 -6.758 1.00 0.00 C ATOM 626 C THR A 58 0.812 -12.870 -6.274 1.00 0.00 C ATOM 627 O THR A 58 1.686 -13.316 -6.991 1.00 0.00 O ATOM 628 CB THR A 58 -0.733 -11.422 -7.596 1.00 0.00 C ATOM 629 OG1 THR A 58 -2.104 -11.091 -7.772 1.00 0.00 O ATOM 630 CG2 THR A 58 -0.081 -11.646 -8.961 1.00 0.00 C ATOM 0 H THR A 58 -2.137 -11.798 -5.573 1.00 0.00 H new ATOM 0 HA THR A 58 -0.919 -13.549 -7.373 1.00 0.00 H new ATOM 0 HB THR A 58 -0.224 -10.606 -7.083 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.269 -10.187 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.161 -10.736 -9.556 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.970 -11.899 -8.825 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.587 -12.462 -9.476 1.00 0.00 H new ATOM 638 N PHE A 59 1.044 -12.512 -5.044 1.00 0.00 N ATOM 639 CA PHE A 59 2.401 -12.636 -4.456 1.00 0.00 C ATOM 640 C PHE A 59 2.630 -14.073 -4.040 1.00 0.00 C ATOM 641 O PHE A 59 3.635 -14.689 -4.335 1.00 0.00 O ATOM 642 CB PHE A 59 2.450 -11.748 -3.218 1.00 0.00 C ATOM 643 CG PHE A 59 3.884 -11.548 -2.784 1.00 0.00 C ATOM 644 CD1 PHE A 59 4.659 -10.541 -3.372 1.00 0.00 C ATOM 645 CD2 PHE A 59 4.437 -12.370 -1.795 1.00 0.00 C ATOM 646 CE1 PHE A 59 5.986 -10.356 -2.970 1.00 0.00 C ATOM 647 CE2 PHE A 59 5.765 -12.185 -1.394 1.00 0.00 C ATOM 648 CZ PHE A 59 6.540 -11.178 -1.981 1.00 0.00 C ATOM 0 H PHE A 59 0.338 -12.133 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 59 3.163 -12.340 -5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.988 -10.784 -3.433 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.877 -12.203 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.232 -9.907 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.839 -13.147 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.584 -9.579 -3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.192 -12.819 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.565 -11.035 -1.671 1.00 0.00 H new ATOM 658 N THR A 60 1.680 -14.590 -3.350 1.00 0.00 N ATOM 659 CA THR A 60 1.754 -15.993 -2.865 1.00 0.00 C ATOM 660 C THR A 60 1.377 -16.928 -4.016 1.00 0.00 C ATOM 661 O THR A 60 1.716 -18.092 -4.032 1.00 0.00 O ATOM 662 CB THR A 60 0.798 -16.136 -1.658 1.00 0.00 C ATOM 663 OG1 THR A 60 1.564 -16.230 -0.467 1.00 0.00 O ATOM 664 CG2 THR A 60 -0.099 -17.375 -1.775 1.00 0.00 C ATOM 0 H THR A 60 0.827 -14.095 -3.089 1.00 0.00 H new ATOM 0 HA THR A 60 2.759 -16.257 -2.537 1.00 0.00 H new ATOM 0 HB THR A 60 0.153 -15.257 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.963 -16.319 0.302 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.753 -17.434 -0.905 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.703 -17.303 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.521 -18.270 -1.824 1.00 0.00 H new ATOM 672 N ASN A 61 0.678 -16.411 -4.973 1.00 0.00 N ATOM 673 CA ASN A 61 0.263 -17.241 -6.139 1.00 0.00 C ATOM 674 C ASN A 61 1.501 -17.842 -6.798 1.00 0.00 C ATOM 675 O ASN A 61 1.413 -18.688 -7.666 1.00 0.00 O ATOM 676 CB ASN A 61 -0.465 -16.362 -7.150 1.00 0.00 C ATOM 677 CG ASN A 61 -1.105 -17.239 -8.228 1.00 0.00 C ATOM 678 OD1 ASN A 61 -1.659 -18.279 -7.932 1.00 0.00 O ATOM 679 ND2 ASN A 61 -1.052 -16.860 -9.475 1.00 0.00 N ATOM 0 H ASN A 61 0.369 -15.439 -5.004 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.398 -18.039 -5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.230 -15.770 -6.648 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.233 -15.660 -7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.476 -17.437 -10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.587 -15.987 -9.723 1.00 0.00 H new ATOM 686 N ILE A 62 2.656 -17.401 -6.385 1.00 0.00 N ATOM 687 CA ILE A 62 3.935 -17.921 -6.965 1.00 0.00 C ATOM 688 C ILE A 62 4.545 -18.883 -5.958 1.00 0.00 C ATOM 689 O ILE A 62 5.359 -19.727 -6.279 1.00 0.00 O ATOM 690 CB ILE A 62 4.898 -16.741 -7.225 1.00 0.00 C ATOM 691 CG1 ILE A 62 4.084 -15.477 -7.506 1.00 0.00 C ATOM 692 CG2 ILE A 62 5.796 -17.043 -8.429 1.00 0.00 C ATOM 693 CD1 ILE A 62 5.031 -14.323 -7.838 1.00 0.00 C ATOM 0 H ILE A 62 2.774 -16.693 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 62 3.752 -18.433 -7.910 1.00 0.00 H new ATOM 0 HB ILE A 62 5.523 -16.593 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.399 -15.650 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.475 -15.223 -6.638 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.469 -16.203 -8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.380 -17.942 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.178 -17.199 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.451 -13.422 -8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.698 -14.145 -6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.621 -14.578 -8.719 1.00 0.00 H new ATOM 705 N THR A 63 4.131 -18.752 -4.735 1.00 0.00 N ATOM 706 CA THR A 63 4.633 -19.638 -3.648 1.00 0.00 C ATOM 707 C THR A 63 3.548 -20.668 -3.352 1.00 0.00 C ATOM 708 O THR A 63 3.779 -21.686 -2.730 1.00 0.00 O ATOM 709 CB THR A 63 4.957 -18.776 -2.421 1.00 0.00 C ATOM 710 OG1 THR A 63 6.352 -18.511 -2.397 1.00 0.00 O ATOM 711 CG2 THR A 63 4.553 -19.461 -1.106 1.00 0.00 C ATOM 0 H THR A 63 3.451 -18.054 -4.433 1.00 0.00 H new ATOM 0 HA THR A 63 5.545 -20.162 -3.936 1.00 0.00 H new ATOM 0 HB THR A 63 4.385 -17.852 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.567 -17.959 -1.616 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.802 -18.812 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.480 -19.653 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.090 -20.404 -1.007 1.00 0.00 H new ATOM 719 N TYR A 64 2.365 -20.397 -3.808 1.00 0.00 N ATOM 720 CA TYR A 64 1.236 -21.342 -3.575 1.00 0.00 C ATOM 721 C TYR A 64 1.647 -22.745 -4.025 1.00 0.00 C ATOM 722 O TYR A 64 0.965 -23.718 -3.773 1.00 0.00 O ATOM 723 CB TYR A 64 -0.008 -20.879 -4.356 1.00 0.00 C ATOM 724 CG TYR A 64 0.078 -21.297 -5.826 1.00 0.00 C ATOM 725 CD1 TYR A 64 1.247 -21.069 -6.586 1.00 0.00 C ATOM 726 CD2 TYR A 64 -1.024 -21.923 -6.428 1.00 0.00 C ATOM 727 CE1 TYR A 64 1.295 -21.465 -7.928 1.00 0.00 C ATOM 728 CE2 TYR A 64 -0.966 -22.316 -7.770 1.00 0.00 C ATOM 729 CZ TYR A 64 0.191 -22.086 -8.519 1.00 0.00 C ATOM 730 OH TYR A 64 0.245 -22.474 -9.843 1.00 0.00 O ATOM 0 H TYR A 64 2.125 -19.558 -4.336 1.00 0.00 H new ATOM 0 HA TYR A 64 0.994 -21.361 -2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.904 -21.306 -3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.102 -19.795 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.102 -20.590 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.921 -22.102 -5.853 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.189 -21.290 -8.509 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.817 -22.798 -8.228 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.605 -22.891 -10.097 1.00 0.00 H new ATOM 740 N ARG A 65 2.753 -22.847 -4.696 1.00 0.00 N ATOM 741 CA ARG A 65 3.215 -24.177 -5.175 1.00 0.00 C ATOM 742 C ARG A 65 3.658 -25.021 -3.981 1.00 0.00 C ATOM 743 O ARG A 65 3.862 -26.213 -4.082 1.00 0.00 O ATOM 744 CB ARG A 65 4.389 -23.982 -6.140 1.00 0.00 C ATOM 745 CG ARG A 65 4.603 -25.254 -6.965 1.00 0.00 C ATOM 746 CD ARG A 65 5.987 -25.210 -7.611 1.00 0.00 C ATOM 747 NE ARG A 65 6.223 -26.472 -8.368 1.00 0.00 N ATOM 748 CZ ARG A 65 7.201 -26.545 -9.228 1.00 0.00 C ATOM 749 NH1 ARG A 65 7.975 -25.513 -9.423 1.00 0.00 N ATOM 750 NH2 ARG A 65 7.405 -27.650 -9.893 1.00 0.00 N ATOM 0 H ARG A 65 3.362 -22.064 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 65 2.403 -24.688 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.191 -23.138 -6.801 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.294 -23.744 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.514 -26.134 -6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.833 -25.337 -7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.060 -24.353 -8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.753 -25.084 -6.846 1.00 0.00 H new ATOM 0 HE ARG A 65 5.619 -27.279 -8.213 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.815 -24.650 -8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.740 -25.569 -10.095 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.799 -28.456 -9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.170 -27.707 -10.565 1.00 0.00 H new ATOM 764 N GLY A 66 3.802 -24.402 -2.850 1.00 0.00 N ATOM 765 CA GLY A 66 4.228 -25.150 -1.633 1.00 0.00 C ATOM 766 C GLY A 66 3.268 -26.316 -1.383 1.00 0.00 C ATOM 767 O GLY A 66 3.472 -27.118 -0.494 1.00 0.00 O ATOM 0 H GLY A 66 3.643 -23.404 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.244 -25.524 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.239 -24.484 -0.770 1.00 0.00 H new ATOM 771 N THR A 67 2.220 -26.411 -2.159 1.00 0.00 N ATOM 772 CA THR A 67 1.241 -27.518 -1.970 1.00 0.00 C ATOM 773 C THR A 67 1.981 -28.844 -1.775 1.00 0.00 C ATOM 774 O THR A 67 1.428 -29.720 -1.131 1.00 0.00 O ATOM 775 CB THR A 67 0.339 -27.617 -3.203 1.00 0.00 C ATOM 776 OG1 THR A 67 -0.433 -28.807 -3.126 1.00 0.00 O ATOM 777 CG2 THR A 67 1.200 -27.646 -4.468 1.00 0.00 C ATOM 778 OXT THR A 67 3.089 -28.961 -2.273 1.00 0.00 O ATOM 0 H THR A 67 2.001 -25.766 -2.918 1.00 0.00 H new ATOM 0 HA THR A 67 0.636 -27.312 -1.087 1.00 0.00 H new ATOM 0 HB THR A 67 -0.325 -26.753 -3.239 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.013 -28.872 -3.913 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.556 -27.717 -5.345 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.793 -26.733 -4.526 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.865 -28.509 -4.436 1.00 0.00 H new TER 786 THR A 67