USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 663 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 99 THR OG1 : rot -95:sc= 0.285 USER MOD Set 1.2: A 100 THR OG1 : rot 76:sc= 0.458 USER MOD Set 2.1: A 89 CYS SG : rot 170:sc= 0.918 USER MOD Set 2.2: A 95 SER OG : rot 165:sc= 1.33 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.719 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 33 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-6!) USER MOD Single : A 35 TYR OH : rot -124:sc= 0.264 USER MOD Single : A 40 THR OG1 : rot -99:sc= -1.3! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00419 K(o=-0.0042,f=-0.83) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -6.34! C(o=-7.1!,f=-6.3!) USER MOD Single : A 50 CYS SG : rot -60:sc= -3.86 USER MOD Single : A 54 ASN : amide:sc= -0.52 K(o=-0.52,f=-4.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.313 F(o=-1.4!,f=-0.31) USER MOD Single : A 82 SER OG : rot 180:sc= -1.59 USER MOD Single : A 84 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.67) USER MOD Single : A 90 GLN :FLIP amide:sc= -4.26! C(o=-4.9!,f=-4.3!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.126 USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= -0.0031 (180deg=-0.106) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0693) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -155:sc= -1.15 (180deg=-1.75) USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 52 N ARG A 15 -12.747 9.144 5.974 1.00 0.00 N ATOM 53 CA ARG A 15 -12.103 7.922 5.388 1.00 0.00 C ATOM 54 C ARG A 15 -12.752 7.590 4.054 1.00 0.00 C ATOM 55 O ARG A 15 -13.946 7.443 3.939 1.00 0.00 O ATOM 56 CB ARG A 15 -12.232 6.727 6.335 1.00 0.00 C ATOM 57 CG ARG A 15 -11.332 6.976 7.528 1.00 0.00 C ATOM 58 CD ARG A 15 -11.309 5.814 8.486 1.00 0.00 C ATOM 59 NE ARG A 15 -10.681 6.255 9.823 1.00 0.00 N ATOM 60 CZ ARG A 15 -9.769 7.189 9.669 1.00 0.00 C ATOM 61 NH1 ARG A 15 -8.842 6.702 9.055 1.00 0.00 N ATOM 62 NH2 ARG A 15 -9.548 7.482 10.863 1.00 0.00 N ATOM 0 HA ARG A 15 -11.043 8.130 5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.266 6.606 6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -11.946 5.806 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.319 7.175 7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.670 7.869 8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.322 5.447 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.738 4.990 8.059 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.944 5.865 10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.881 5.725 8.763 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.024 7.269 8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.052 7.001 11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.863 8.202 11.093 1.00 0.00 H new ATOM 76 N VAL A 16 -11.962 7.476 3.040 1.00 0.00 N ATOM 77 CA VAL A 16 -12.514 7.169 1.693 1.00 0.00 C ATOM 78 C VAL A 16 -11.550 6.241 0.964 1.00 0.00 C ATOM 79 O VAL A 16 -10.364 6.268 1.194 1.00 0.00 O ATOM 80 CB VAL A 16 -12.680 8.478 0.927 1.00 0.00 C ATOM 81 CG1 VAL A 16 -13.644 8.263 -0.316 1.00 0.00 C ATOM 82 CG2 VAL A 16 -13.357 9.544 1.898 1.00 0.00 C ATOM 0 H VAL A 16 -10.948 7.582 3.079 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.483 6.676 1.774 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.705 8.820 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.756 9.203 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.219 7.511 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.620 7.927 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.485 10.488 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.330 9.175 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.720 9.699 2.769 1.00 0.00 H new ATOM 92 N PRO A 17 -12.065 5.400 0.120 1.00 0.00 N ATOM 93 CA PRO A 17 -11.227 4.470 -0.665 1.00 0.00 C ATOM 94 C PRO A 17 -10.821 5.078 -1.993 1.00 0.00 C ATOM 95 O PRO A 17 -11.375 6.044 -2.471 1.00 0.00 O ATOM 96 CB PRO A 17 -12.117 3.225 -0.827 1.00 0.00 C ATOM 97 CG PRO A 17 -13.536 3.676 -0.679 1.00 0.00 C ATOM 98 CD PRO A 17 -13.528 5.141 -0.219 1.00 0.00 C ATOM 0 HA PRO A 17 -10.281 4.231 -0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.959 2.763 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -11.871 2.475 -0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.067 3.578 -1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.059 3.053 0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.883 5.810 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.173 5.294 0.646 1.00 0.00 H new ATOM 106 N SER A 18 -9.810 4.517 -2.588 1.00 0.00 N ATOM 107 CA SER A 18 -9.322 5.022 -3.903 1.00 0.00 C ATOM 108 C SER A 18 -8.479 3.954 -4.582 1.00 0.00 C ATOM 109 O SER A 18 -7.880 3.113 -3.954 1.00 0.00 O ATOM 110 CB SER A 18 -8.477 6.284 -3.698 1.00 0.00 C ATOM 111 OG SER A 18 -8.367 6.987 -4.924 1.00 0.00 O ATOM 0 H SER A 18 -9.293 3.720 -2.217 1.00 0.00 H new ATOM 0 HA SER A 18 -10.180 5.262 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.935 6.921 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.486 6.015 -3.331 1.00 0.00 H new ATOM 0 HG SER A 18 -7.828 7.794 -4.791 1.00 0.00 H new ATOM 117 N SER A 19 -8.441 3.980 -5.871 1.00 0.00 N ATOM 118 CA SER A 19 -7.642 2.973 -6.631 1.00 0.00 C ATOM 119 C SER A 19 -6.420 3.640 -7.232 1.00 0.00 C ATOM 120 O SER A 19 -6.428 4.781 -7.628 1.00 0.00 O ATOM 121 CB SER A 19 -8.505 2.384 -7.748 1.00 0.00 C ATOM 122 OG SER A 19 -8.818 3.387 -8.702 1.00 0.00 O ATOM 0 H SER A 19 -8.933 4.662 -6.449 1.00 0.00 H new ATOM 0 HA SER A 19 -7.322 2.178 -5.957 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.976 1.563 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.422 1.970 -7.330 1.00 0.00 H new ATOM 0 HG SER A 19 -9.369 3.000 -9.414 1.00 0.00 H new ATOM 128 N VAL A 20 -5.349 2.931 -7.278 1.00 0.00 N ATOM 129 CA VAL A 20 -4.101 3.508 -7.816 1.00 0.00 C ATOM 130 C VAL A 20 -3.322 2.426 -8.562 1.00 0.00 C ATOM 131 O VAL A 20 -3.728 1.295 -8.643 1.00 0.00 O ATOM 132 CB VAL A 20 -3.294 4.080 -6.650 1.00 0.00 C ATOM 133 CG1 VAL A 20 -3.873 3.575 -5.252 1.00 0.00 C ATOM 134 CG2 VAL A 20 -1.794 3.579 -6.754 1.00 0.00 C ATOM 0 H VAL A 20 -5.279 1.963 -6.963 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.314 4.310 -8.523 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.354 5.167 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.281 3.996 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.910 3.896 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.824 2.487 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.216 3.985 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.771 2.490 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.362 3.917 -7.696 1.00 0.00 H new ATOM 144 N SER A 21 -2.213 2.770 -9.141 1.00 0.00 N ATOM 145 CA SER A 21 -1.420 1.753 -9.905 1.00 0.00 C ATOM 146 C SER A 21 -0.044 1.616 -9.284 1.00 0.00 C ATOM 147 O SER A 21 0.484 2.529 -8.691 1.00 0.00 O ATOM 148 CB SER A 21 -1.283 2.200 -11.366 1.00 0.00 C ATOM 149 OG SER A 21 -2.563 2.177 -11.984 1.00 0.00 O ATOM 0 H SER A 21 -1.814 3.708 -9.124 1.00 0.00 H new ATOM 0 HA SER A 21 -1.932 0.791 -9.869 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.861 3.204 -11.414 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.597 1.540 -11.898 1.00 0.00 H new ATOM 0 HG SER A 21 -2.481 2.464 -12.918 1.00 0.00 H new ATOM 155 N VAL A 22 0.531 0.489 -9.413 1.00 0.00 N ATOM 156 CA VAL A 22 1.875 0.263 -8.837 1.00 0.00 C ATOM 157 C VAL A 22 2.773 1.434 -9.218 1.00 0.00 C ATOM 158 O VAL A 22 3.625 1.868 -8.465 1.00 0.00 O ATOM 159 CB VAL A 22 2.406 -1.057 -9.403 1.00 0.00 C ATOM 160 CG1 VAL A 22 2.850 -0.861 -10.920 1.00 0.00 C ATOM 161 CG2 VAL A 22 3.663 -1.525 -8.571 1.00 0.00 C ATOM 0 H VAL A 22 0.131 -0.312 -9.901 1.00 0.00 H new ATOM 0 HA VAL A 22 1.845 0.199 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 22 1.615 -1.805 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.226 -1.805 -11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.993 -0.537 -11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.635 -0.107 -10.975 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.038 -2.465 -8.976 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.443 -0.766 -8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.377 -1.668 -7.529 1.00 0.00 H new ATOM 171 N THR A 23 2.562 1.989 -10.368 1.00 0.00 N ATOM 172 CA THR A 23 3.390 3.153 -10.804 1.00 0.00 C ATOM 173 C THR A 23 3.289 4.264 -9.751 1.00 0.00 C ATOM 174 O THR A 23 4.263 4.710 -9.206 1.00 0.00 O ATOM 175 CB THR A 23 2.873 3.696 -12.142 1.00 0.00 C ATOM 176 OG1 THR A 23 2.125 4.855 -11.881 1.00 0.00 O ATOM 177 CG2 THR A 23 1.924 2.618 -12.830 1.00 0.00 C ATOM 0 H THR A 23 1.850 1.691 -11.034 1.00 0.00 H new ATOM 0 HA THR A 23 4.425 2.830 -10.919 1.00 0.00 H new ATOM 0 HB THR A 23 3.711 3.913 -12.805 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.785 5.222 -12.724 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.559 3.008 -13.780 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.484 1.700 -13.006 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.078 2.407 -12.175 1.00 0.00 H new ATOM 185 N VAL A 24 2.104 4.715 -9.446 1.00 0.00 N ATOM 186 CA VAL A 24 1.973 5.783 -8.409 1.00 0.00 C ATOM 187 C VAL A 24 2.411 5.235 -7.064 1.00 0.00 C ATOM 188 O VAL A 24 2.998 5.911 -6.261 1.00 0.00 O ATOM 189 CB VAL A 24 0.510 6.256 -8.324 1.00 0.00 C ATOM 190 CG1 VAL A 24 0.487 7.839 -8.194 1.00 0.00 C ATOM 191 CG2 VAL A 24 -0.299 5.881 -9.656 1.00 0.00 C ATOM 0 H VAL A 24 1.229 4.397 -9.863 1.00 0.00 H new ATOM 0 HA VAL A 24 2.604 6.629 -8.682 1.00 0.00 H new ATOM 0 HB VAL A 24 0.049 5.769 -7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.545 8.184 -8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.023 8.138 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.967 8.283 -9.066 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.328 6.228 -9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.172 6.360 -10.515 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.291 4.800 -9.794 1.00 0.00 H new ATOM 201 N ALA A 25 2.152 3.998 -6.821 1.00 0.00 N ATOM 202 CA ALA A 25 2.574 3.389 -5.535 1.00 0.00 C ATOM 203 C ALA A 25 4.058 3.693 -5.321 1.00 0.00 C ATOM 204 O ALA A 25 4.507 3.932 -4.219 1.00 0.00 O ATOM 205 CB ALA A 25 2.375 1.811 -5.629 1.00 0.00 C ATOM 0 H ALA A 25 1.662 3.370 -7.458 1.00 0.00 H new ATOM 0 HA ALA A 25 1.985 3.790 -4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.681 1.349 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.325 1.587 -5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.982 1.416 -6.443 1.00 0.00 H new ATOM 211 N HIS A 26 4.822 3.676 -6.365 1.00 0.00 N ATOM 212 CA HIS A 26 6.276 3.972 -6.232 1.00 0.00 C ATOM 213 C HIS A 26 6.419 5.377 -5.654 1.00 0.00 C ATOM 214 O HIS A 26 7.131 5.601 -4.704 1.00 0.00 O ATOM 215 CB HIS A 26 6.927 3.875 -7.624 1.00 0.00 C ATOM 216 CG HIS A 26 8.429 4.022 -7.545 1.00 0.00 C ATOM 217 ND1 HIS A 26 9.074 5.237 -7.747 1.00 0.00 N ATOM 218 CD2 HIS A 26 9.416 3.127 -7.214 1.00 0.00 C ATOM 219 CE1 HIS A 26 10.390 5.036 -7.529 1.00 0.00 C ATOM 220 NE2 HIS A 26 10.654 3.776 -7.203 1.00 0.00 N ATOM 0 H HIS A 26 4.507 3.469 -7.313 1.00 0.00 H new ATOM 0 HA HIS A 26 6.771 3.262 -5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.678 2.916 -8.077 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.518 4.650 -8.273 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.260 2.081 -6.995 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.140 5.809 -7.610 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.565 3.369 -6.990 1.00 0.00 H new ATOM 229 N ASP A 27 5.708 6.327 -6.197 1.00 0.00 N ATOM 230 CA ASP A 27 5.769 7.727 -5.646 1.00 0.00 C ATOM 231 C ASP A 27 5.310 7.700 -4.193 1.00 0.00 C ATOM 232 O ASP A 27 5.887 8.316 -3.328 1.00 0.00 O ATOM 233 CB ASP A 27 4.798 8.641 -6.409 1.00 0.00 C ATOM 234 CG ASP A 27 4.960 10.107 -5.996 1.00 0.00 C ATOM 235 OD1 ASP A 27 5.848 10.376 -5.209 1.00 0.00 O ATOM 236 OD2 ASP A 27 4.220 10.937 -6.483 1.00 0.00 O ATOM 0 H ASP A 27 5.087 6.203 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 27 6.790 8.097 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.972 8.543 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.773 8.321 -6.222 1.00 0.00 H new ATOM 241 N LEU A 28 4.251 7.001 -3.930 1.00 0.00 N ATOM 242 CA LEU A 28 3.719 6.928 -2.542 1.00 0.00 C ATOM 243 C LEU A 28 4.707 6.137 -1.682 1.00 0.00 C ATOM 244 O LEU A 28 5.173 6.596 -0.663 1.00 0.00 O ATOM 245 CB LEU A 28 2.344 6.243 -2.591 1.00 0.00 C ATOM 246 CG LEU A 28 1.393 6.998 -3.521 1.00 0.00 C ATOM 247 CD1 LEU A 28 -0.039 6.302 -3.450 1.00 0.00 C ATOM 248 CD2 LEU A 28 1.215 8.502 -2.993 1.00 0.00 C ATOM 0 H LEU A 28 3.722 6.470 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 28 3.601 7.920 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.457 5.215 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.919 6.198 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 28 1.793 6.990 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.732 6.827 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.045 5.263 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.411 6.339 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.538 9.042 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.802 8.487 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.184 9.000 -2.981 1.00 0.00 H new ATOM 260 N LEU A 29 5.055 4.963 -2.115 1.00 0.00 N ATOM 261 CA LEU A 29 6.051 4.128 -1.368 1.00 0.00 C ATOM 262 C LEU A 29 7.363 4.938 -1.270 1.00 0.00 C ATOM 263 O LEU A 29 7.996 5.002 -0.240 1.00 0.00 O ATOM 264 CB LEU A 29 6.281 2.821 -2.172 1.00 0.00 C ATOM 265 CG LEU A 29 6.972 1.723 -1.337 1.00 0.00 C ATOM 266 CD1 LEU A 29 7.727 0.693 -2.283 1.00 0.00 C ATOM 267 CD2 LEU A 29 8.033 2.351 -0.332 1.00 0.00 C ATOM 0 H LEU A 29 4.691 4.533 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 29 5.701 3.877 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.323 2.448 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.889 3.041 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 29 6.194 1.209 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.208 -0.074 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.010 0.225 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.482 1.220 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.505 1.555 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.794 2.890 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.529 3.039 0.346 1.00 0.00 H new ATOM 279 N LEU A 30 7.764 5.574 -2.335 1.00 0.00 N ATOM 280 CA LEU A 30 9.010 6.415 -2.309 1.00 0.00 C ATOM 281 C LEU A 30 8.818 7.489 -1.220 1.00 0.00 C ATOM 282 O LEU A 30 9.739 7.881 -0.538 1.00 0.00 O ATOM 283 CB LEU A 30 9.202 7.094 -3.685 1.00 0.00 C ATOM 284 CG LEU A 30 10.306 8.174 -3.653 1.00 0.00 C ATOM 285 CD1 LEU A 30 9.801 9.508 -2.967 1.00 0.00 C ATOM 286 CD2 LEU A 30 11.578 7.658 -2.852 1.00 0.00 C ATOM 0 H LEU A 30 7.282 5.551 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 30 9.888 5.805 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.456 6.339 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.262 7.547 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 30 10.570 8.379 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.606 10.243 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.951 9.904 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.498 9.298 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.342 8.435 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.291 7.419 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.975 6.765 -3.335 1.00 0.00 H new ATOM 298 N ALA A 31 7.621 7.960 -1.051 1.00 0.00 N ATOM 299 CA ALA A 31 7.363 8.988 0.002 1.00 0.00 C ATOM 300 C ALA A 31 7.470 8.316 1.367 1.00 0.00 C ATOM 301 O ALA A 31 7.659 8.943 2.379 1.00 0.00 O ATOM 302 CB ALA A 31 5.898 9.583 -0.194 1.00 0.00 C ATOM 0 H ALA A 31 6.804 7.681 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 31 8.089 9.798 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.705 10.334 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.821 10.042 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.165 8.781 -0.109 1.00 0.00 H new ATOM 308 N GLY A 32 7.350 7.021 1.394 1.00 0.00 N ATOM 309 CA GLY A 32 7.448 6.267 2.682 1.00 0.00 C ATOM 310 C GLY A 32 6.049 5.990 3.224 1.00 0.00 C ATOM 311 O GLY A 32 5.755 6.240 4.371 1.00 0.00 O ATOM 0 H GLY A 32 7.186 6.441 0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.980 5.329 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.022 6.842 3.408 1.00 0.00 H new ATOM 315 N HIS A 33 5.189 5.478 2.409 1.00 0.00 N ATOM 316 CA HIS A 33 3.803 5.177 2.873 1.00 0.00 C ATOM 317 C HIS A 33 3.626 3.665 3.012 1.00 0.00 C ATOM 318 O HIS A 33 4.102 2.892 2.212 1.00 0.00 O ATOM 319 CB HIS A 33 2.802 5.741 1.862 1.00 0.00 C ATOM 320 CG HIS A 33 2.853 7.248 1.864 1.00 0.00 C ATOM 321 ND1 HIS A 33 3.183 8.000 0.741 1.00 0.00 N ATOM 322 CD2 HIS A 33 2.581 8.156 2.853 1.00 0.00 C ATOM 323 CE1 HIS A 33 3.093 9.302 1.090 1.00 0.00 C ATOM 324 NE2 HIS A 33 2.732 9.454 2.358 1.00 0.00 N ATOM 0 H HIS A 33 5.378 5.250 1.433 1.00 0.00 H new ATOM 0 HA HIS A 33 3.628 5.639 3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.029 5.364 0.865 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.795 5.404 2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.293 7.906 3.863 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.291 10.123 0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.594 10.330 2.863 1.00 0.00 H new ATOM 333 N ARG A 34 2.958 3.247 4.045 1.00 0.00 N ATOM 334 CA ARG A 34 2.738 1.784 4.288 1.00 0.00 C ATOM 335 C ARG A 34 1.940 1.183 3.138 1.00 0.00 C ATOM 336 O ARG A 34 1.042 1.781 2.592 1.00 0.00 O ATOM 337 CB ARG A 34 2.004 1.586 5.627 1.00 0.00 C ATOM 338 CG ARG A 34 2.891 2.096 6.848 1.00 0.00 C ATOM 339 CD ARG A 34 2.193 1.812 8.236 1.00 0.00 C ATOM 340 NE ARG A 34 2.821 2.557 9.508 1.00 0.00 N ATOM 341 CZ ARG A 34 4.138 2.376 9.615 1.00 0.00 C ATOM 342 NH1 ARG A 34 4.394 1.206 9.832 1.00 0.00 N ATOM 343 NH2 ARG A 34 4.430 3.176 10.536 1.00 0.00 N ATOM 0 H ARG A 34 2.545 3.861 4.747 1.00 0.00 H new ATOM 0 HA ARG A 34 3.700 1.274 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.058 2.127 5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.766 0.531 5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.863 1.604 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.073 3.166 6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.144 2.095 8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.220 0.738 8.420 1.00 0.00 H new ATOM 0 HE ARG A 34 2.272 3.111 10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.639 0.524 9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.363 0.907 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.700 3.740 10.972 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.397 3.262 10.849 1.00 0.00 H new ATOM 357 N TYR A 35 2.289 0.000 2.757 1.00 0.00 N ATOM 358 CA TYR A 35 1.594 -0.686 1.630 1.00 0.00 C ATOM 359 C TYR A 35 1.098 -2.061 2.111 1.00 0.00 C ATOM 360 O TYR A 35 1.864 -2.910 2.495 1.00 0.00 O ATOM 361 CB TYR A 35 2.588 -0.876 0.489 1.00 0.00 C ATOM 362 CG TYR A 35 2.081 -1.913 -0.510 1.00 0.00 C ATOM 363 CD1 TYR A 35 0.804 -1.764 -1.087 1.00 0.00 C ATOM 364 CD2 TYR A 35 2.880 -3.015 -0.872 1.00 0.00 C ATOM 365 CE1 TYR A 35 0.346 -2.686 -2.032 1.00 0.00 C ATOM 366 CE2 TYR A 35 2.413 -3.938 -1.815 1.00 0.00 C ATOM 367 CZ TYR A 35 1.141 -3.784 -2.392 1.00 0.00 C ATOM 368 OH TYR A 35 0.684 -4.692 -3.330 1.00 0.00 O ATOM 0 H TYR A 35 3.042 -0.540 3.183 1.00 0.00 H new ATOM 0 HA TYR A 35 0.747 -0.091 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.750 0.075 -0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.551 -1.192 0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.177 -0.934 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.853 -3.148 -0.422 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.624 -2.553 -2.487 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.034 -4.774 -2.101 1.00 0.00 H new ATOM 0 HH TYR A 35 0.695 -5.593 -2.945 1.00 0.00 H new ATOM 378 N LEU A 36 -0.177 -2.281 2.098 1.00 0.00 N ATOM 379 CA LEU A 36 -0.728 -3.600 2.534 1.00 0.00 C ATOM 380 C LEU A 36 -0.871 -4.501 1.303 1.00 0.00 C ATOM 381 O LEU A 36 -1.704 -4.293 0.450 1.00 0.00 O ATOM 382 CB LEU A 36 -2.091 -3.328 3.206 1.00 0.00 C ATOM 383 CG LEU A 36 -1.945 -2.886 4.673 1.00 0.00 C ATOM 384 CD1 LEU A 36 -3.286 -2.173 5.139 1.00 0.00 C ATOM 385 CD2 LEU A 36 -1.699 -4.153 5.610 1.00 0.00 C ATOM 0 H LEU A 36 -0.877 -1.601 1.802 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.074 -4.107 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.620 -2.556 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.702 -4.230 3.160 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.099 -2.204 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.188 -1.858 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.472 -1.302 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.119 -2.870 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.597 -3.826 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.544 -4.837 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.787 -4.663 5.300 1.00 0.00 H new ATOM 397 N ASP A 37 -0.040 -5.479 1.197 1.00 0.00 N ATOM 398 CA ASP A 37 -0.076 -6.394 0.018 1.00 0.00 C ATOM 399 C ASP A 37 -0.999 -7.558 0.351 1.00 0.00 C ATOM 400 O ASP A 37 -0.789 -8.279 1.291 1.00 0.00 O ATOM 401 CB ASP A 37 1.331 -6.959 -0.247 1.00 0.00 C ATOM 402 CG ASP A 37 1.375 -7.742 -1.567 1.00 0.00 C ATOM 403 OD1 ASP A 37 0.570 -7.446 -2.428 1.00 0.00 O ATOM 404 OD2 ASP A 37 2.219 -8.605 -1.704 1.00 0.00 O ATOM 0 H ASP A 37 0.681 -5.697 1.884 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.424 -5.850 -0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.053 -6.143 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.625 -7.611 0.576 1.00 0.00 H new ATOM 409 N VAL A 38 -1.992 -7.768 -0.434 1.00 0.00 N ATOM 410 CA VAL A 38 -2.911 -8.906 -0.179 1.00 0.00 C ATOM 411 C VAL A 38 -3.149 -9.625 -1.495 1.00 0.00 C ATOM 412 O VAL A 38 -4.066 -9.343 -2.234 1.00 0.00 O ATOM 413 CB VAL A 38 -4.240 -8.405 0.410 1.00 0.00 C ATOM 414 CG1 VAL A 38 -3.912 -7.576 1.730 1.00 0.00 C ATOM 415 CG2 VAL A 38 -4.952 -7.418 -0.614 1.00 0.00 C ATOM 0 H VAL A 38 -2.218 -7.202 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.467 -9.589 0.545 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.890 -9.256 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.840 -7.208 2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.402 -8.220 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.270 -6.732 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.892 -7.068 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.302 -6.565 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.150 -7.944 -1.548 1.00 0.00 H new ATOM 425 N ARG A 39 -2.297 -10.555 -1.795 1.00 0.00 N ATOM 426 CA ARG A 39 -2.426 -11.335 -3.062 1.00 0.00 C ATOM 427 C ARG A 39 -3.419 -12.459 -2.803 1.00 0.00 C ATOM 428 O ARG A 39 -4.303 -12.719 -3.585 1.00 0.00 O ATOM 429 CB ARG A 39 -1.074 -11.947 -3.437 1.00 0.00 C ATOM 430 CG ARG A 39 -0.093 -10.800 -3.840 1.00 0.00 C ATOM 431 CD ARG A 39 1.143 -11.327 -4.652 1.00 0.00 C ATOM 432 NE ARG A 39 0.908 -11.891 -6.098 1.00 0.00 N ATOM 433 CZ ARG A 39 2.019 -11.790 -6.859 1.00 0.00 C ATOM 434 NH1 ARG A 39 2.898 -12.517 -6.449 1.00 0.00 N ATOM 435 NH2 ARG A 39 1.544 -12.094 -7.986 1.00 0.00 N ATOM 0 H ARG A 39 -1.502 -10.817 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.759 -10.688 -3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.669 -12.511 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.194 -12.648 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.628 -10.061 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.256 -10.292 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.861 -10.511 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.615 -12.113 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 39 0.025 -12.285 -6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.737 -13.099 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.799 -12.547 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.554 -12.322 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.149 -12.112 -8.807 1.00 0.00 H new ATOM 449 N THR A 40 -3.271 -13.138 -1.704 1.00 0.00 N ATOM 450 CA THR A 40 -4.212 -14.254 -1.404 1.00 0.00 C ATOM 451 C THR A 40 -3.741 -15.014 -0.159 1.00 0.00 C ATOM 452 O THR A 40 -2.641 -14.835 0.306 1.00 0.00 O ATOM 453 CB THR A 40 -4.204 -15.169 -2.624 1.00 0.00 C ATOM 454 OG1 THR A 40 -3.109 -14.794 -3.439 1.00 0.00 O ATOM 455 CG2 THR A 40 -5.559 -14.977 -3.428 1.00 0.00 C ATOM 0 H THR A 40 -2.547 -12.973 -1.005 1.00 0.00 H new ATOM 0 HA THR A 40 -5.217 -13.884 -1.203 1.00 0.00 H new ATOM 0 HB THR A 40 -4.114 -16.213 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.424 -14.215 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.559 -15.629 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.402 -15.231 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.647 -13.939 -3.750 1.00 0.00 H new ATOM 463 N PRO A 41 -4.592 -15.827 0.402 1.00 0.00 N ATOM 464 CA PRO A 41 -4.248 -16.615 1.609 1.00 0.00 C ATOM 465 C PRO A 41 -2.976 -17.409 1.397 1.00 0.00 C ATOM 466 O PRO A 41 -2.166 -17.586 2.275 1.00 0.00 O ATOM 467 CB PRO A 41 -5.465 -17.529 1.805 1.00 0.00 C ATOM 468 CG PRO A 41 -6.588 -16.940 1.014 1.00 0.00 C ATOM 469 CD PRO A 41 -5.989 -16.050 -0.081 1.00 0.00 C ATOM 0 HA PRO A 41 -4.052 -15.993 2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.245 -18.542 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.731 -17.596 2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.196 -17.729 0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.244 -16.357 1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.007 -16.539 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.536 -15.113 -0.185 1.00 0.00 H new ATOM 477 N GLU A 42 -2.780 -17.882 0.204 1.00 0.00 N ATOM 478 CA GLU A 42 -1.551 -18.664 -0.102 1.00 0.00 C ATOM 479 C GLU A 42 -0.334 -17.768 0.137 1.00 0.00 C ATOM 480 O GLU A 42 0.726 -18.223 0.496 1.00 0.00 O ATOM 481 CB GLU A 42 -1.576 -19.101 -1.571 1.00 0.00 C ATOM 482 CG GLU A 42 -2.746 -20.061 -1.796 1.00 0.00 C ATOM 483 CD GLU A 42 -2.728 -20.579 -3.238 1.00 0.00 C ATOM 484 OE1 GLU A 42 -1.990 -20.029 -4.033 1.00 0.00 O ATOM 485 OE2 GLU A 42 -3.457 -21.506 -3.526 1.00 0.00 O ATOM 0 H GLU A 42 -3.421 -17.761 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.501 -19.547 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.676 -18.230 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.636 -19.588 -1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.680 -20.897 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.689 -19.552 -1.595 1.00 0.00 H new ATOM 492 N GLU A 43 -0.478 -16.490 -0.056 1.00 0.00 N ATOM 493 CA GLU A 43 0.676 -15.558 0.170 1.00 0.00 C ATOM 494 C GLU A 43 1.194 -15.745 1.597 1.00 0.00 C ATOM 495 O GLU A 43 2.358 -15.585 1.881 1.00 0.00 O ATOM 496 CB GLU A 43 0.206 -14.108 -0.022 1.00 0.00 C ATOM 497 CG GLU A 43 1.412 -13.161 0.010 1.00 0.00 C ATOM 498 CD GLU A 43 0.937 -11.708 -0.069 1.00 0.00 C ATOM 499 OE1 GLU A 43 -0.257 -11.501 -0.158 1.00 0.00 O ATOM 500 OE2 GLU A 43 1.773 -10.827 -0.050 1.00 0.00 O ATOM 0 H GLU A 43 -1.342 -16.042 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 43 1.473 -15.775 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.320 -14.010 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.500 -13.838 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.983 -13.317 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.079 -13.380 -0.823 1.00 0.00 H new ATOM 507 N PHE A 44 0.325 -16.096 2.489 1.00 0.00 N ATOM 508 CA PHE A 44 0.709 -16.314 3.922 1.00 0.00 C ATOM 509 C PHE A 44 1.504 -17.615 4.030 1.00 0.00 C ATOM 510 O PHE A 44 2.447 -17.734 4.780 1.00 0.00 O ATOM 511 CB PHE A 44 -0.582 -16.459 4.725 1.00 0.00 C ATOM 512 CG PHE A 44 -0.318 -16.639 6.203 1.00 0.00 C ATOM 513 CD1 PHE A 44 -0.093 -17.914 6.744 1.00 0.00 C ATOM 514 CD2 PHE A 44 -0.310 -15.507 7.042 1.00 0.00 C ATOM 515 CE1 PHE A 44 0.121 -18.061 8.118 1.00 0.00 C ATOM 516 CE2 PHE A 44 -0.099 -15.655 8.415 1.00 0.00 C ATOM 517 CZ PHE A 44 0.129 -16.930 8.955 1.00 0.00 C ATOM 0 H PHE A 44 -0.664 -16.248 2.291 1.00 0.00 H new ATOM 0 HA PHE A 44 1.311 -15.485 4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.203 -15.576 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.146 -17.314 4.352 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.085 -18.781 6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.467 -14.524 6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.280 -19.044 8.537 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.111 -14.789 9.060 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.311 -17.043 10.014 1.00 0.00 H new ATOM 527 N SER A 45 1.111 -18.603 3.280 1.00 0.00 N ATOM 528 CA SER A 45 1.814 -19.922 3.331 1.00 0.00 C ATOM 529 C SER A 45 3.308 -19.699 3.151 1.00 0.00 C ATOM 530 O SER A 45 4.118 -20.197 3.897 1.00 0.00 O ATOM 531 CB SER A 45 1.298 -20.825 2.205 1.00 0.00 C ATOM 532 OG SER A 45 1.741 -22.155 2.424 1.00 0.00 O ATOM 0 H SER A 45 0.328 -18.558 2.628 1.00 0.00 H new ATOM 0 HA SER A 45 1.624 -20.398 4.293 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.209 -20.794 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.658 -20.464 1.241 1.00 0.00 H new ATOM 0 HG SER A 45 1.410 -22.733 1.705 1.00 0.00 H new ATOM 538 N GLN A 46 3.679 -18.940 2.170 1.00 0.00 N ATOM 539 CA GLN A 46 5.129 -18.673 1.937 1.00 0.00 C ATOM 540 C GLN A 46 5.452 -17.263 2.434 1.00 0.00 C ATOM 541 O GLN A 46 6.576 -16.932 2.733 1.00 0.00 O ATOM 542 CB GLN A 46 5.440 -18.813 0.436 1.00 0.00 C ATOM 543 CG GLN A 46 4.782 -17.681 -0.353 1.00 0.00 C ATOM 544 CD GLN A 46 4.894 -17.937 -1.857 1.00 0.00 C ATOM 545 OE1 GLN A 46 4.773 -19.053 -2.316 1.00 0.00 O ATOM 546 NE2 GLN A 46 5.114 -16.935 -2.647 1.00 0.00 N ATOM 0 H GLN A 46 3.044 -18.488 1.513 1.00 0.00 H new ATOM 0 HA GLN A 46 5.743 -19.391 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.518 -18.795 0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.080 -19.775 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.733 -17.596 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.258 -16.732 -0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.216 -15.996 -2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.185 -17.085 -3.653 1.00 0.00 H new ATOM 555 N GLY A 47 4.449 -16.440 2.549 1.00 0.00 N ATOM 556 CA GLY A 47 4.649 -15.034 3.031 1.00 0.00 C ATOM 557 C GLY A 47 5.104 -14.130 1.898 1.00 0.00 C ATOM 558 O GLY A 47 5.152 -14.507 0.751 1.00 0.00 O ATOM 0 H GLY A 47 3.483 -16.680 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.718 -14.654 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.390 -15.022 3.831 1.00 0.00 H new ATOM 562 N HIS A 48 5.450 -12.933 2.229 1.00 0.00 N ATOM 563 CA HIS A 48 5.928 -11.974 1.194 1.00 0.00 C ATOM 564 C HIS A 48 6.176 -10.615 1.839 1.00 0.00 C ATOM 565 O HIS A 48 5.278 -9.859 2.135 1.00 0.00 O ATOM 566 CB HIS A 48 4.905 -11.898 0.047 1.00 0.00 C ATOM 567 CG HIS A 48 4.854 -10.521 -0.565 1.00 0.00 C ATOM 568 ND1 HIS A 48 4.207 -9.370 -0.199 1.00 0.00 N flip ATOM 569 CD2 HIS A 48 5.580 -10.201 -1.707 1.00 0.00 C flip ATOM 570 CE1 HIS A 48 4.527 -8.346 -1.100 1.00 0.00 C flip ATOM 571 NE2 HIS A 48 5.351 -8.903 -1.981 1.00 0.00 N flip ATOM 0 H HIS A 48 5.425 -12.565 3.180 1.00 0.00 H new ATOM 0 HA HIS A 48 6.871 -12.314 0.767 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.164 -12.628 -0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.917 -12.166 0.422 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.588 -9.274 0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.212 -10.871 -2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.179 -7.324 -1.082 1.00 0.00 H new ATOM 580 N ALA A 49 7.412 -10.327 2.087 1.00 0.00 N ATOM 581 CA ALA A 49 7.773 -9.035 2.729 1.00 0.00 C ATOM 582 C ALA A 49 9.246 -8.735 2.470 1.00 0.00 C ATOM 583 O ALA A 49 10.080 -9.612 2.383 1.00 0.00 O ATOM 584 CB ALA A 49 7.530 -9.130 4.306 1.00 0.00 C ATOM 0 H ALA A 49 8.202 -10.936 1.872 1.00 0.00 H new ATOM 0 HA ALA A 49 7.154 -8.241 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.796 -8.182 4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.480 -9.348 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.149 -9.925 4.722 1.00 0.00 H new ATOM 590 N CYS A 50 9.557 -7.494 2.362 1.00 0.00 N ATOM 591 CA CYS A 50 10.963 -7.054 2.146 1.00 0.00 C ATOM 592 C CYS A 50 10.983 -5.535 2.157 1.00 0.00 C ATOM 593 O CYS A 50 11.589 -4.887 1.337 1.00 0.00 O ATOM 594 CB CYS A 50 11.499 -7.609 0.832 1.00 0.00 C ATOM 595 SG CYS A 50 13.256 -7.893 1.044 1.00 0.00 S ATOM 0 H CYS A 50 8.881 -6.732 2.415 1.00 0.00 H new ATOM 0 HA CYS A 50 11.609 -7.433 2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.989 -8.537 0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.320 -6.907 0.018 1.00 0.00 H new ATOM 0 HG CYS A 50 13.845 -6.771 1.333 1.00 0.00 H new ATOM 601 N GLY A 51 10.298 -4.969 3.101 1.00 0.00 N ATOM 602 CA GLY A 51 10.200 -3.485 3.202 1.00 0.00 C ATOM 603 C GLY A 51 8.746 -3.080 3.040 1.00 0.00 C ATOM 604 O GLY A 51 8.430 -1.977 2.658 1.00 0.00 O ATOM 0 H GLY A 51 9.790 -5.478 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.581 -3.146 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.811 -3.013 2.433 1.00 0.00 H new ATOM 608 N ALA A 52 7.851 -3.964 3.321 1.00 0.00 N ATOM 609 CA ALA A 52 6.410 -3.624 3.170 1.00 0.00 C ATOM 610 C ALA A 52 5.580 -4.488 4.107 1.00 0.00 C ATOM 611 O ALA A 52 6.068 -5.318 4.826 1.00 0.00 O ATOM 612 CB ALA A 52 5.967 -3.918 1.671 1.00 0.00 C ATOM 0 H ALA A 52 8.045 -4.910 3.649 1.00 0.00 H new ATOM 0 HA ALA A 52 6.256 -2.572 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.912 -3.672 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.563 -3.310 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.122 -4.973 1.446 1.00 0.00 H new ATOM 618 N ILE A 53 4.307 -4.290 4.096 1.00 0.00 N ATOM 619 CA ILE A 53 3.435 -5.100 4.973 1.00 0.00 C ATOM 620 C ILE A 53 2.374 -5.815 4.148 1.00 0.00 C ATOM 621 O ILE A 53 1.931 -5.353 3.125 1.00 0.00 O ATOM 622 CB ILE A 53 2.799 -4.160 5.983 1.00 0.00 C ATOM 623 CG1 ILE A 53 3.911 -3.474 6.778 1.00 0.00 C ATOM 624 CG2 ILE A 53 1.860 -4.968 6.968 1.00 0.00 C ATOM 625 CD1 ILE A 53 3.233 -2.399 7.745 1.00 0.00 C ATOM 0 H ILE A 53 3.827 -3.601 3.517 1.00 0.00 H new ATOM 0 HA ILE A 53 4.013 -5.866 5.490 1.00 0.00 H new ATOM 0 HB ILE A 53 2.196 -3.417 5.462 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.473 -4.206 7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.618 -2.989 6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.411 -4.283 7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.074 -5.462 6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.448 -5.716 7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.005 -1.894 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.689 -1.666 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.542 -2.902 8.421 1.00 0.00 H new ATOM 637 N ASN A 54 1.988 -6.969 4.589 1.00 0.00 N ATOM 638 CA ASN A 54 0.967 -7.764 3.843 1.00 0.00 C ATOM 639 C ASN A 54 -0.097 -8.240 4.799 1.00 0.00 C ATOM 640 O ASN A 54 0.162 -8.568 5.931 1.00 0.00 O ATOM 641 CB ASN A 54 1.626 -8.978 3.178 1.00 0.00 C ATOM 642 CG ASN A 54 2.097 -9.987 4.223 1.00 0.00 C ATOM 643 OD1 ASN A 54 1.325 -10.764 4.745 1.00 0.00 O ATOM 644 ND2 ASN A 54 3.348 -9.998 4.557 1.00 0.00 N ATOM 0 H ASN A 54 2.335 -7.407 5.442 1.00 0.00 H new ATOM 0 HA ASN A 54 0.520 -7.133 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.918 -9.455 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.473 -8.651 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.683 -10.659 5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.998 -9.346 4.119 1.00 0.00 H new ATOM 651 N VAL A 55 -1.292 -8.273 4.360 1.00 0.00 N ATOM 652 CA VAL A 55 -2.376 -8.725 5.245 1.00 0.00 C ATOM 653 C VAL A 55 -3.355 -9.580 4.440 1.00 0.00 C ATOM 654 O VAL A 55 -4.255 -9.091 3.784 1.00 0.00 O ATOM 655 CB VAL A 55 -3.047 -7.486 5.839 1.00 0.00 C ATOM 656 CG1 VAL A 55 -4.611 -7.520 5.558 1.00 0.00 C ATOM 657 CG2 VAL A 55 -2.813 -7.472 7.409 1.00 0.00 C ATOM 0 H VAL A 55 -1.578 -8.006 3.418 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.999 -9.341 6.061 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.617 -6.596 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.077 -6.632 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.787 -7.539 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.043 -8.412 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.289 -6.591 7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.246 -8.370 7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.743 -7.445 7.617 1.00 0.00 H new ATOM 667 N PRO A 56 -3.123 -10.864 4.439 1.00 0.00 N ATOM 668 CA PRO A 56 -3.983 -11.825 3.722 1.00 0.00 C ATOM 669 C PRO A 56 -5.249 -12.127 4.490 1.00 0.00 C ATOM 670 O PRO A 56 -5.493 -13.221 4.959 1.00 0.00 O ATOM 671 CB PRO A 56 -3.089 -13.067 3.534 1.00 0.00 C ATOM 672 CG PRO A 56 -2.032 -13.002 4.585 1.00 0.00 C ATOM 673 CD PRO A 56 -1.989 -11.565 5.132 1.00 0.00 C ATOM 0 HA PRO A 56 -4.339 -11.437 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.674 -13.982 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.644 -13.076 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.249 -13.708 5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.064 -13.280 4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.115 -11.549 6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.034 -11.086 4.915 1.00 0.00 H new ATOM 681 N TYR A 57 -6.073 -11.131 4.620 1.00 0.00 N ATOM 682 CA TYR A 57 -7.351 -11.300 5.365 1.00 0.00 C ATOM 683 C TYR A 57 -7.074 -11.887 6.734 1.00 0.00 C ATOM 684 O TYR A 57 -6.930 -11.197 7.718 1.00 0.00 O ATOM 685 CB TYR A 57 -8.216 -12.257 4.559 1.00 0.00 C ATOM 686 CG TYR A 57 -8.751 -11.610 3.295 1.00 0.00 C ATOM 687 CD1 TYR A 57 -9.853 -10.742 3.334 1.00 0.00 C ATOM 688 CD2 TYR A 57 -8.113 -11.874 2.073 1.00 0.00 C ATOM 689 CE1 TYR A 57 -10.314 -10.150 2.154 1.00 0.00 C ATOM 690 CE2 TYR A 57 -8.574 -11.285 0.898 1.00 0.00 C ATOM 691 CZ TYR A 57 -9.674 -10.416 0.931 1.00 0.00 C ATOM 692 OH TYR A 57 -10.128 -9.833 -0.235 1.00 0.00 O ATOM 0 H TYR A 57 -5.917 -10.198 4.240 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.852 -10.342 5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.633 -13.139 4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.050 -12.597 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.344 -10.532 4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.261 -12.537 2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.165 -9.486 2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.083 -11.498 -0.040 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.570 -10.125 -0.986 1.00 0.00 H new ATOM 1009 N PHE A 79 -9.717 2.947 15.038 1.00 0.00 N ATOM 1010 CA PHE A 79 -8.471 2.576 14.291 1.00 0.00 C ATOM 1011 C PHE A 79 -8.763 1.419 13.327 1.00 0.00 C ATOM 1012 O PHE A 79 -9.376 0.430 13.671 1.00 0.00 O ATOM 1013 CB PHE A 79 -7.427 2.119 15.299 1.00 0.00 C ATOM 1014 CG PHE A 79 -6.876 3.283 16.092 1.00 0.00 C ATOM 1015 CD1 PHE A 79 -5.949 4.172 15.520 1.00 0.00 C ATOM 1016 CD2 PHE A 79 -7.309 3.476 17.416 1.00 0.00 C ATOM 1017 CE1 PHE A 79 -5.478 5.260 16.263 1.00 0.00 C ATOM 1018 CE2 PHE A 79 -6.842 4.565 18.155 1.00 0.00 C ATOM 1019 CZ PHE A 79 -5.913 5.452 17.586 1.00 0.00 C ATOM 0 HA PHE A 79 -8.114 3.436 13.724 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.870 1.391 15.979 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.613 1.614 14.778 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.601 4.015 14.510 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.004 2.780 17.862 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.779 5.954 15.819 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -7.195 4.725 19.163 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.533 6.281 18.165 1.00 0.00 H new ATOM 1029 N GLY A 80 -8.317 1.548 12.118 1.00 0.00 N ATOM 1030 CA GLY A 80 -8.541 0.478 11.096 1.00 0.00 C ATOM 1031 C GLY A 80 -7.214 -0.155 10.685 1.00 0.00 C ATOM 1032 O GLY A 80 -6.236 0.509 10.437 1.00 0.00 O ATOM 0 H GLY A 80 -7.798 2.358 11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.205 -0.286 11.500 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.036 0.900 10.221 1.00 0.00 H new ATOM 1036 N GLN A 81 -7.188 -1.447 10.617 1.00 0.00 N ATOM 1037 CA GLN A 81 -5.940 -2.163 10.215 1.00 0.00 C ATOM 1038 C GLN A 81 -5.370 -1.510 8.958 1.00 0.00 C ATOM 1039 O GLN A 81 -4.208 -1.625 8.662 1.00 0.00 O ATOM 1040 CB GLN A 81 -6.273 -3.638 9.928 1.00 0.00 C ATOM 1041 CG GLN A 81 -6.738 -3.790 8.478 1.00 0.00 C ATOM 1042 CD GLN A 81 -7.495 -5.101 8.279 1.00 0.00 C ATOM 1043 OE1 GLN A 81 -6.895 -6.085 7.683 1.00 0.00 O flip ATOM 1044 NE2 GLN A 81 -8.636 -5.236 8.665 1.00 0.00 N flip ATOM 0 H GLN A 81 -7.983 -2.052 10.823 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.205 -2.107 11.018 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.396 -4.260 10.106 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.052 -3.984 10.608 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.380 -2.951 8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.876 -3.759 7.811 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.110 -4.464 9.134 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.122 -6.121 8.521 1.00 0.00 H new ATOM 1053 N SER A 82 -6.174 -0.810 8.227 1.00 0.00 N ATOM 1054 CA SER A 82 -5.667 -0.127 6.995 1.00 0.00 C ATOM 1055 C SER A 82 -5.985 1.364 7.119 1.00 0.00 C ATOM 1056 O SER A 82 -5.939 2.108 6.167 1.00 0.00 O ATOM 1057 CB SER A 82 -6.360 -0.717 5.761 1.00 0.00 C ATOM 1058 OG SER A 82 -6.078 -2.106 5.676 1.00 0.00 O ATOM 0 H SER A 82 -7.166 -0.674 8.421 1.00 0.00 H new ATOM 0 HA SER A 82 -4.592 -0.271 6.888 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.436 -0.557 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.015 -0.210 4.860 1.00 0.00 H new ATOM 0 HG SER A 82 -6.523 -2.482 4.888 1.00 0.00 H new ATOM 1064 N ASP A 83 -6.307 1.799 8.308 1.00 0.00 N ATOM 1065 CA ASP A 83 -6.646 3.249 8.539 1.00 0.00 C ATOM 1066 C ASP A 83 -5.615 4.119 7.839 1.00 0.00 C ATOM 1067 O ASP A 83 -4.474 4.188 8.227 1.00 0.00 O ATOM 1068 CB ASP A 83 -6.626 3.537 10.042 1.00 0.00 C ATOM 1069 CG ASP A 83 -5.365 2.954 10.698 1.00 0.00 C ATOM 1070 OD1 ASP A 83 -4.479 2.545 9.974 1.00 0.00 O ATOM 1071 OD2 ASP A 83 -5.318 2.905 11.911 1.00 0.00 O ATOM 0 H ASP A 83 -6.352 1.213 9.141 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.637 3.467 8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.663 4.613 10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.514 3.111 10.509 1.00 0.00 H new ATOM 1076 N ASN A 84 -6.013 4.775 6.801 1.00 0.00 N ATOM 1077 CA ASN A 84 -5.066 5.659 6.047 1.00 0.00 C ATOM 1078 C ASN A 84 -3.896 4.838 5.556 1.00 0.00 C ATOM 1079 O ASN A 84 -2.771 5.036 5.941 1.00 0.00 O ATOM 1080 CB ASN A 84 -4.555 6.772 6.956 1.00 0.00 C ATOM 1081 CG ASN A 84 -5.728 7.500 7.598 1.00 0.00 C ATOM 1082 OD1 ASN A 84 -6.713 7.797 6.955 1.00 0.00 O ATOM 1083 ND2 ASN A 84 -5.656 7.813 8.848 1.00 0.00 N ATOM 0 H ASN A 84 -6.962 4.745 6.428 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.589 6.101 5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.909 6.354 7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.951 7.474 6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.427 8.310 9.295 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.828 7.564 9.389 1.00 0.00 H new ATOM 1090 N ILE A 85 -4.151 3.910 4.702 1.00 0.00 N ATOM 1091 CA ILE A 85 -3.045 3.073 4.181 1.00 0.00 C ATOM 1092 C ILE A 85 -3.283 2.781 2.709 1.00 0.00 C ATOM 1093 O ILE A 85 -4.267 3.182 2.133 1.00 0.00 O ATOM 1094 CB ILE A 85 -2.977 1.793 4.999 1.00 0.00 C ATOM 1095 CG1 ILE A 85 -2.532 2.147 6.413 1.00 0.00 C ATOM 1096 CG2 ILE A 85 -1.936 0.762 4.376 1.00 0.00 C ATOM 1097 CD1 ILE A 85 -2.289 0.789 7.204 1.00 0.00 C ATOM 0 H ILE A 85 -5.077 3.689 4.337 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.092 3.594 4.269 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.962 1.327 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.619 2.742 6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.291 2.749 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.911 -0.142 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.239 0.508 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.944 1.213 4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.969 1.013 8.222 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.215 0.214 7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.517 0.208 6.700 1.00 0.00 H new ATOM 1109 N ILE A 86 -2.372 2.123 2.087 1.00 0.00 N ATOM 1110 CA ILE A 86 -2.540 1.803 0.647 1.00 0.00 C ATOM 1111 C ILE A 86 -2.482 0.301 0.455 1.00 0.00 C ATOM 1112 O ILE A 86 -1.477 -0.334 0.659 1.00 0.00 O ATOM 1113 CB ILE A 86 -1.411 2.468 -0.134 1.00 0.00 C ATOM 1114 CG1 ILE A 86 -1.163 3.881 0.437 1.00 0.00 C ATOM 1115 CG2 ILE A 86 -1.861 2.604 -1.666 1.00 0.00 C ATOM 1116 CD1 ILE A 86 0.005 4.583 -0.408 1.00 0.00 C ATOM 0 H ILE A 86 -1.507 1.786 2.509 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.502 2.170 0.290 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.502 1.872 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.076 4.475 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.883 3.819 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.064 3.078 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.062 1.614 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.763 3.212 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.189 5.582 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.916 3.989 -0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.295 4.655 -1.453 1.00 0.00 H new ATOM 1128 N VAL A 87 -3.572 -0.274 0.083 1.00 0.00 N ATOM 1129 CA VAL A 87 -3.615 -1.745 -0.108 1.00 0.00 C ATOM 1130 C VAL A 87 -3.508 -2.054 -1.600 1.00 0.00 C ATOM 1131 O VAL A 87 -3.356 -1.182 -2.425 1.00 0.00 O ATOM 1132 CB VAL A 87 -4.916 -2.289 0.504 1.00 0.00 C ATOM 1133 CG1 VAL A 87 -5.033 -3.862 0.300 1.00 0.00 C ATOM 1134 CG2 VAL A 87 -4.967 -1.996 2.054 1.00 0.00 C ATOM 0 H VAL A 87 -4.450 0.211 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.779 -2.231 0.395 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.741 -1.788 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -5.963 -4.218 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.027 -4.092 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.189 -4.355 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.896 -2.389 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.120 -2.476 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.921 -0.920 2.223 1.00 0.00 H new ATOM 1144 N GLY A 88 -3.537 -3.302 -1.937 1.00 0.00 N ATOM 1145 CA GLY A 88 -3.434 -3.718 -3.370 1.00 0.00 C ATOM 1146 C GLY A 88 -3.615 -5.221 -3.499 1.00 0.00 C ATOM 1147 O GLY A 88 -3.131 -5.987 -2.699 1.00 0.00 O ATOM 0 H GLY A 88 -3.629 -4.073 -1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.191 -3.202 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.463 -3.426 -3.771 1.00 0.00 H new ATOM 1151 N CYS A 89 -4.311 -5.638 -4.508 1.00 0.00 N ATOM 1152 CA CYS A 89 -4.546 -7.098 -4.700 1.00 0.00 C ATOM 1153 C CYS A 89 -3.773 -7.575 -5.920 1.00 0.00 C ATOM 1154 O CYS A 89 -3.551 -6.851 -6.863 1.00 0.00 O ATOM 1155 CB CYS A 89 -6.060 -7.397 -4.814 1.00 0.00 C ATOM 1156 SG CYS A 89 -6.377 -9.163 -5.080 1.00 0.00 S ATOM 0 H CYS A 89 -4.732 -5.034 -5.214 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.183 -7.647 -3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.565 -7.069 -3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.483 -6.823 -5.638 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.649 -9.399 -4.956 1.00 0.00 H new ATOM 1162 N GLN A 90 -3.312 -8.785 -5.872 1.00 0.00 N ATOM 1163 CA GLN A 90 -2.506 -9.345 -7.000 1.00 0.00 C ATOM 1164 C GLN A 90 -3.122 -8.962 -8.334 1.00 0.00 C ATOM 1165 O GLN A 90 -2.591 -8.176 -9.083 1.00 0.00 O ATOM 1166 CB GLN A 90 -2.415 -10.870 -6.863 1.00 0.00 C ATOM 1167 CG GLN A 90 -1.593 -11.455 -8.014 1.00 0.00 C ATOM 1168 CD GLN A 90 -1.478 -12.973 -7.888 1.00 0.00 C ATOM 1169 OE1 GLN A 90 -1.949 -13.547 -6.825 1.00 0.00 O flip ATOM 1170 NE2 GLN A 90 -0.961 -13.639 -8.756 1.00 0.00 N flip ATOM 0 H GLN A 90 -3.457 -9.425 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.500 -8.927 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.956 -11.130 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.415 -11.303 -6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.060 -11.200 -8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.598 -11.010 -8.018 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.590 -13.188 -9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.896 -14.652 -8.651 1.00 0.00 H new ATOM 1179 N SER A 91 -4.239 -9.538 -8.636 1.00 0.00 N ATOM 1180 CA SER A 91 -4.924 -9.247 -9.932 1.00 0.00 C ATOM 1181 C SER A 91 -5.521 -7.846 -9.887 1.00 0.00 C ATOM 1182 O SER A 91 -5.734 -7.270 -8.848 1.00 0.00 O ATOM 1183 CB SER A 91 -6.026 -10.288 -10.165 1.00 0.00 C ATOM 1184 OG SER A 91 -6.861 -9.864 -11.231 1.00 0.00 O ATOM 0 H SER A 91 -4.721 -10.209 -8.038 1.00 0.00 H new ATOM 0 HA SER A 91 -4.207 -9.298 -10.751 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.583 -11.256 -10.399 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.615 -10.419 -9.257 1.00 0.00 H new ATOM 0 HG SER A 91 -7.564 -10.530 -11.381 1.00 0.00 H new ATOM 1190 N GLY A 92 -5.792 -7.298 -11.028 1.00 0.00 N ATOM 1191 CA GLY A 92 -6.376 -5.928 -11.087 1.00 0.00 C ATOM 1192 C GLY A 92 -7.570 -5.915 -12.040 1.00 0.00 C ATOM 1193 O GLY A 92 -7.874 -6.884 -12.697 1.00 0.00 O ATOM 0 H GLY A 92 -5.635 -7.739 -11.934 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.690 -5.613 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.623 -5.216 -11.424 1.00 0.00 H new ATOM 1197 N GLY A 93 -8.240 -4.813 -12.108 1.00 0.00 N ATOM 1198 CA GLY A 93 -9.425 -4.691 -13.007 1.00 0.00 C ATOM 1199 C GLY A 93 -10.484 -5.696 -12.573 1.00 0.00 C ATOM 1200 O GLY A 93 -11.471 -5.358 -11.961 1.00 0.00 O ATOM 0 H GLY A 93 -8.021 -3.972 -11.574 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.827 -3.679 -12.964 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.133 -4.875 -14.041 1.00 0.00 H new ATOM 1204 N ARG A 94 -10.284 -6.939 -12.895 1.00 0.00 N ATOM 1205 CA ARG A 94 -11.281 -7.990 -12.511 1.00 0.00 C ATOM 1206 C ARG A 94 -11.302 -8.114 -11.000 1.00 0.00 C ATOM 1207 O ARG A 94 -12.326 -8.325 -10.394 1.00 0.00 O ATOM 1208 CB ARG A 94 -10.900 -9.336 -13.117 1.00 0.00 C ATOM 1209 CG ARG A 94 -12.071 -10.283 -12.832 1.00 0.00 C ATOM 1210 CD ARG A 94 -11.775 -11.656 -13.385 1.00 0.00 C ATOM 1211 NE ARG A 94 -13.064 -12.500 -13.391 1.00 0.00 N ATOM 1212 CZ ARG A 94 -13.888 -12.161 -12.415 1.00 0.00 C ATOM 1213 NH1 ARG A 94 -13.356 -12.453 -11.367 1.00 0.00 N ATOM 1214 NH2 ARG A 94 -14.891 -12.840 -12.734 1.00 0.00 N ATOM 0 H ARG A 94 -9.472 -7.281 -13.409 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.264 -7.703 -12.885 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.726 -9.244 -14.189 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.978 -9.714 -12.676 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.245 -10.345 -11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.984 -9.891 -13.281 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.378 -11.574 -14.397 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.011 -12.145 -12.781 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.259 -13.236 -14.070 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.430 -12.882 -11.367 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.834 -12.270 -10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.864 -13.430 -13.565 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.735 -12.803 -12.162 1.00 0.00 H new ATOM 1228 N SER A 95 -10.171 -7.993 -10.383 1.00 0.00 N ATOM 1229 CA SER A 95 -10.111 -8.121 -8.898 1.00 0.00 C ATOM 1230 C SER A 95 -10.371 -6.763 -8.267 1.00 0.00 C ATOM 1231 O SER A 95 -10.861 -6.655 -7.167 1.00 0.00 O ATOM 1232 CB SER A 95 -8.723 -8.614 -8.466 1.00 0.00 C ATOM 1233 OG SER A 95 -8.468 -8.208 -7.128 1.00 0.00 O ATOM 0 H SER A 95 -9.277 -7.810 -10.839 1.00 0.00 H new ATOM 0 HA SER A 95 -10.865 -8.837 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.671 -9.700 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.959 -8.210 -9.131 1.00 0.00 H new ATOM 0 HG SER A 95 -7.711 -8.717 -6.770 1.00 0.00 H new ATOM 1239 N ILE A 96 -10.055 -5.724 -8.959 1.00 0.00 N ATOM 1240 CA ILE A 96 -10.266 -4.361 -8.402 1.00 0.00 C ATOM 1241 C ILE A 96 -11.747 -4.183 -8.080 1.00 0.00 C ATOM 1242 O ILE A 96 -12.121 -3.783 -7.002 1.00 0.00 O ATOM 1243 CB ILE A 96 -9.801 -3.338 -9.446 1.00 0.00 C ATOM 1244 CG1 ILE A 96 -9.085 -2.183 -8.758 1.00 0.00 C ATOM 1245 CG2 ILE A 96 -11.038 -2.768 -10.256 1.00 0.00 C ATOM 1246 CD1 ILE A 96 -8.487 -1.250 -9.901 1.00 0.00 C ATOM 0 H ILE A 96 -9.655 -5.751 -9.897 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.695 -4.217 -7.485 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.120 -3.838 -10.135 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.776 -1.624 -8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.291 -2.554 -8.110 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.689 -2.044 -10.992 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.547 -3.586 -10.765 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -11.730 -2.282 -9.569 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.964 -0.408 -9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.789 -1.824 -10.511 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.297 -0.879 -10.529 1.00 0.00 H new ATOM 1258 N LYS A 97 -12.604 -4.512 -8.999 1.00 0.00 N ATOM 1259 CA LYS A 97 -14.074 -4.384 -8.734 1.00 0.00 C ATOM 1260 C LYS A 97 -14.448 -5.346 -7.604 1.00 0.00 C ATOM 1261 O LYS A 97 -15.278 -5.066 -6.773 1.00 0.00 O ATOM 1262 CB LYS A 97 -14.856 -4.728 -10.010 1.00 0.00 C ATOM 1263 CG LYS A 97 -14.636 -6.203 -10.340 1.00 0.00 C ATOM 1264 CD LYS A 97 -15.247 -6.538 -11.702 1.00 0.00 C ATOM 1265 CE LYS A 97 -15.359 -8.047 -11.847 1.00 0.00 C ATOM 1266 NZ LYS A 97 -16.585 -8.544 -11.021 1.00 0.00 N ATOM 0 H LYS A 97 -12.359 -4.865 -9.924 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.321 -3.364 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.918 -4.528 -9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.522 -4.102 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.569 -6.426 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.087 -6.827 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.231 -6.079 -11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.628 -6.130 -12.501 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.477 -8.317 -12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.447 -8.528 -11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.816 -9.520 -11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.356 -8.514 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.403 -7.929 -11.209 1.00 0.00 H new ATOM 1280 N ALA A 98 -13.831 -6.476 -7.558 1.00 0.00 N ATOM 1281 CA ALA A 98 -14.142 -7.456 -6.478 1.00 0.00 C ATOM 1282 C ALA A 98 -13.666 -6.896 -5.139 1.00 0.00 C ATOM 1283 O ALA A 98 -14.338 -6.961 -4.135 1.00 0.00 O ATOM 1284 CB ALA A 98 -13.387 -8.817 -6.805 1.00 0.00 C ATOM 0 H ALA A 98 -13.117 -6.776 -8.222 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.215 -7.637 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -13.602 -9.548 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.728 -9.200 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.313 -8.636 -6.847 1.00 0.00 H new ATOM 1290 N THR A 99 -12.510 -6.333 -5.132 1.00 0.00 N ATOM 1291 CA THR A 99 -11.943 -5.754 -3.887 1.00 0.00 C ATOM 1292 C THR A 99 -12.611 -4.396 -3.627 1.00 0.00 C ATOM 1293 O THR A 99 -13.114 -4.111 -2.566 1.00 0.00 O ATOM 1294 CB THR A 99 -10.443 -5.585 -4.134 1.00 0.00 C ATOM 1295 OG1 THR A 99 -10.258 -4.885 -5.350 1.00 0.00 O ATOM 1296 CG2 THR A 99 -9.739 -7.006 -4.231 1.00 0.00 C ATOM 0 H THR A 99 -11.912 -6.243 -5.953 1.00 0.00 H new ATOM 0 HA THR A 99 -12.115 -6.388 -3.017 1.00 0.00 H new ATOM 0 HB THR A 99 -10.000 -5.029 -3.308 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.114 -5.526 -6.078 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.672 -6.872 -4.407 1.00 0.00 H new ATOM 0 HG22 THR A 99 -9.888 -7.550 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.174 -7.572 -5.054 1.00 0.00 H new ATOM 1304 N THR A 100 -12.628 -3.568 -4.613 1.00 0.00 N ATOM 1305 CA THR A 100 -13.251 -2.227 -4.481 1.00 0.00 C ATOM 1306 C THR A 100 -14.694 -2.392 -3.978 1.00 0.00 C ATOM 1307 O THR A 100 -15.108 -1.785 -3.017 1.00 0.00 O ATOM 1308 CB THR A 100 -13.184 -1.583 -5.864 1.00 0.00 C ATOM 1309 OG1 THR A 100 -11.830 -1.581 -6.265 1.00 0.00 O ATOM 1310 CG2 THR A 100 -13.730 -0.092 -5.831 1.00 0.00 C ATOM 0 H THR A 100 -12.228 -3.762 -5.531 1.00 0.00 H new ATOM 0 HA THR A 100 -12.738 -1.591 -3.760 1.00 0.00 H new ATOM 0 HB THR A 100 -13.804 -2.146 -6.562 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.568 -2.485 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.670 0.340 -6.830 1.00 0.00 H new ATOM 0 HG22 THR A 100 -14.768 -0.092 -5.498 1.00 0.00 H new ATOM 0 HG23 THR A 100 -13.128 0.501 -5.142 1.00 0.00 H new ATOM 1318 N ASP A 101 -15.448 -3.249 -4.593 1.00 0.00 N ATOM 1319 CA ASP A 101 -16.855 -3.504 -4.136 1.00 0.00 C ATOM 1320 C ASP A 101 -16.801 -4.055 -2.715 1.00 0.00 C ATOM 1321 O ASP A 101 -17.538 -3.651 -1.840 1.00 0.00 O ATOM 1322 CB ASP A 101 -17.480 -4.581 -5.031 1.00 0.00 C ATOM 1323 CG ASP A 101 -17.680 -4.061 -6.459 1.00 0.00 C ATOM 1324 OD1 ASP A 101 -17.499 -2.880 -6.671 1.00 0.00 O ATOM 1325 OD2 ASP A 101 -17.985 -4.861 -7.321 1.00 0.00 O ATOM 0 H ASP A 101 -15.156 -3.795 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 101 -17.437 -2.583 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.839 -5.462 -5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -18.439 -4.892 -4.616 1.00 0.00 H new ATOM 1330 N LEU A 102 -15.935 -4.996 -2.487 1.00 0.00 N ATOM 1331 CA LEU A 102 -15.811 -5.589 -1.126 1.00 0.00 C ATOM 1332 C LEU A 102 -15.324 -4.513 -0.164 1.00 0.00 C ATOM 1333 O LEU A 102 -15.807 -4.373 0.935 1.00 0.00 O ATOM 1334 CB LEU A 102 -14.848 -6.796 -1.190 1.00 0.00 C ATOM 1335 CG LEU A 102 -14.825 -7.589 0.127 1.00 0.00 C ATOM 1336 CD1 LEU A 102 -14.229 -6.687 1.299 1.00 0.00 C ATOM 1337 CD2 LEU A 102 -16.337 -7.968 0.509 1.00 0.00 C ATOM 0 H LEU A 102 -15.303 -5.384 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.773 -5.951 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.148 -7.455 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.842 -6.445 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.210 -8.480 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.217 -7.258 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.213 -6.386 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.849 -5.800 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.346 -8.532 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.921 -7.056 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -16.772 -8.574 -0.286 1.00 0.00 H new ATOM 1349 N LEU A 103 -14.405 -3.713 -0.597 1.00 0.00 N ATOM 1350 CA LEU A 103 -13.897 -2.609 0.265 1.00 0.00 C ATOM 1351 C LEU A 103 -14.943 -1.491 0.310 1.00 0.00 C ATOM 1352 O LEU A 103 -15.095 -0.800 1.291 1.00 0.00 O ATOM 1353 CB LEU A 103 -12.561 -2.108 -0.329 1.00 0.00 C ATOM 1354 CG LEU A 103 -12.277 -0.652 0.064 1.00 0.00 C ATOM 1355 CD1 LEU A 103 -10.697 -0.433 0.189 1.00 0.00 C ATOM 1356 CD2 LEU A 103 -12.803 0.302 -1.102 1.00 0.00 C ATOM 0 H LEU A 103 -13.975 -3.771 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.723 -2.951 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.747 -2.744 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.591 -2.193 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.769 -0.429 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.494 0.601 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.296 -1.100 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.223 -0.650 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.608 1.341 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.286 0.061 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.875 0.156 -1.236 1.00 0.00 H new ATOM 1368 N HIS A 104 -15.697 -1.329 -0.737 1.00 0.00 N ATOM 1369 CA HIS A 104 -16.756 -0.269 -0.752 1.00 0.00 C ATOM 1370 C HIS A 104 -17.646 -0.450 0.481 1.00 0.00 C ATOM 1371 O HIS A 104 -18.108 0.490 1.087 1.00 0.00 O ATOM 1372 CB HIS A 104 -17.586 -0.418 -2.036 1.00 0.00 C ATOM 1373 CG HIS A 104 -18.613 0.682 -2.118 1.00 0.00 C ATOM 1374 ND1 HIS A 104 -18.256 2.023 -2.224 1.00 0.00 N ATOM 1375 CD2 HIS A 104 -19.981 0.654 -2.147 1.00 0.00 C ATOM 1376 CE1 HIS A 104 -19.399 2.734 -2.316 1.00 0.00 C ATOM 1377 NE2 HIS A 104 -20.475 1.957 -2.275 1.00 0.00 N ATOM 0 H HIS A 104 -15.630 -1.884 -1.590 1.00 0.00 H new ATOM 0 HA HIS A 104 -16.309 0.725 -0.730 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -16.932 -0.382 -2.907 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -18.080 -1.389 -2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.587 -0.238 -2.081 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -19.435 3.809 -2.412 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.451 2.247 -2.326 1.00 0.00 H new ATOM 1386 N ALA A 105 -17.862 -1.661 0.881 1.00 0.00 N ATOM 1387 CA ALA A 105 -18.707 -1.913 2.085 1.00 0.00 C ATOM 1388 C ALA A 105 -17.963 -2.883 2.998 1.00 0.00 C ATOM 1389 O ALA A 105 -18.536 -3.719 3.646 1.00 0.00 O ATOM 1390 CB ALA A 105 -20.088 -2.553 1.624 1.00 0.00 C ATOM 0 H ALA A 105 -17.491 -2.497 0.429 1.00 0.00 H new ATOM 0 HA ALA A 105 -18.905 -0.983 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -20.712 -2.740 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -20.602 -1.865 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -19.898 -3.493 1.105 1.00 0.00 H new ATOM 1396 N GLY A 106 -16.670 -2.765 3.047 1.00 0.00 N ATOM 1397 CA GLY A 106 -15.853 -3.665 3.917 1.00 0.00 C ATOM 1398 C GLY A 106 -14.626 -2.911 4.416 1.00 0.00 C ATOM 1399 O GLY A 106 -14.187 -3.076 5.532 1.00 0.00 O ATOM 0 H GLY A 106 -16.133 -2.078 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -16.449 -4.011 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.547 -4.550 3.358 1.00 0.00 H new ATOM 1403 N PHE A 107 -14.068 -2.092 3.593 1.00 0.00 N ATOM 1404 CA PHE A 107 -12.857 -1.325 4.004 1.00 0.00 C ATOM 1405 C PHE A 107 -13.011 0.135 3.577 1.00 0.00 C ATOM 1406 O PHE A 107 -13.843 0.478 2.770 1.00 0.00 O ATOM 1407 CB PHE A 107 -11.626 -1.916 3.317 1.00 0.00 C ATOM 1408 CG PHE A 107 -11.220 -3.227 3.969 1.00 0.00 C ATOM 1409 CD1 PHE A 107 -10.333 -3.243 5.066 1.00 0.00 C ATOM 1410 CD2 PHE A 107 -11.746 -4.436 3.482 1.00 0.00 C ATOM 1411 CE1 PHE A 107 -10.000 -4.458 5.680 1.00 0.00 C ATOM 1412 CE2 PHE A 107 -11.409 -5.647 4.093 1.00 0.00 C ATOM 1413 CZ PHE A 107 -10.526 -5.664 5.185 1.00 0.00 C ATOM 0 H PHE A 107 -14.393 -1.912 2.643 1.00 0.00 H new ATOM 0 HA PHE A 107 -12.741 -1.383 5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -11.838 -2.081 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.799 -1.207 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -9.911 -2.319 5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -12.413 -4.429 2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -9.339 -4.468 6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -11.828 -6.572 3.725 1.00 0.00 H new ATOM 0 HZ PHE A 107 -10.251 -6.602 5.644 1.00 0.00 H new ATOM 1423 N THR A 108 -12.216 1.007 4.115 1.00 0.00 N ATOM 1424 CA THR A 108 -12.328 2.443 3.742 1.00 0.00 C ATOM 1425 C THR A 108 -11.230 3.254 4.434 1.00 0.00 C ATOM 1426 O THR A 108 -10.765 2.919 5.499 1.00 0.00 O ATOM 1427 CB THR A 108 -13.689 3.005 4.170 1.00 0.00 C ATOM 1428 OG1 THR A 108 -13.764 4.341 3.754 1.00 0.00 O ATOM 1429 CG2 THR A 108 -13.864 2.964 5.749 1.00 0.00 C ATOM 0 H THR A 108 -11.491 0.791 4.799 1.00 0.00 H new ATOM 0 HA THR A 108 -12.223 2.519 2.660 1.00 0.00 H new ATOM 0 HB THR A 108 -14.473 2.397 3.718 1.00 0.00 H new ATOM 0 HG1 THR A 108 -14.629 4.718 4.018 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.839 3.370 6.018 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.791 1.933 6.096 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.081 3.561 6.217 1.00 0.00 H new ATOM 1437 N GLY A 109 -10.818 4.320 3.824 1.00 0.00 N ATOM 1438 CA GLY A 109 -9.744 5.182 4.414 1.00 0.00 C ATOM 1439 C GLY A 109 -8.391 4.682 3.931 1.00 0.00 C ATOM 1440 O GLY A 109 -7.371 4.911 4.536 1.00 0.00 O ATOM 0 H GLY A 109 -11.180 4.644 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.890 6.221 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.791 5.151 5.503 1.00 0.00 H new ATOM 1444 N VAL A 110 -8.379 3.983 2.844 1.00 0.00 N ATOM 1445 CA VAL A 110 -7.100 3.436 2.321 1.00 0.00 C ATOM 1446 C VAL A 110 -7.144 3.377 0.799 1.00 0.00 C ATOM 1447 O VAL A 110 -8.188 3.326 0.201 1.00 0.00 O ATOM 1448 CB VAL A 110 -6.910 2.043 2.910 1.00 0.00 C ATOM 1449 CG1 VAL A 110 -7.969 1.773 4.073 1.00 0.00 C ATOM 1450 CG2 VAL A 110 -7.160 0.980 1.757 1.00 0.00 C ATOM 0 H VAL A 110 -9.204 3.762 2.287 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.264 4.075 2.606 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.903 1.963 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.816 0.773 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.836 2.511 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.979 1.850 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.029 -0.026 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.175 1.090 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.448 1.146 0.949 1.00 0.00 H new ATOM 1460 N LYS A 111 -6.016 3.393 0.175 1.00 0.00 N ATOM 1461 CA LYS A 111 -5.997 3.348 -1.309 1.00 0.00 C ATOM 1462 C LYS A 111 -5.723 1.911 -1.753 1.00 0.00 C ATOM 1463 O LYS A 111 -5.212 1.096 -1.021 1.00 0.00 O ATOM 1464 CB LYS A 111 -4.919 4.312 -1.831 1.00 0.00 C ATOM 1465 CG LYS A 111 -5.188 5.711 -1.264 1.00 0.00 C ATOM 1466 CD LYS A 111 -4.265 6.729 -1.954 1.00 0.00 C ATOM 1467 CE LYS A 111 -4.403 8.106 -1.290 1.00 0.00 C ATOM 1468 NZ LYS A 111 -3.653 8.076 0.083 1.00 0.00 N ATOM 0 H LYS A 111 -5.100 3.435 0.623 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.958 3.661 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.929 3.968 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.932 4.338 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.231 5.985 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.015 5.718 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.230 6.391 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.517 6.801 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.984 8.880 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.455 8.350 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.591 9.041 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.174 7.471 0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.695 7.696 -0.053 1.00 0.00 H new ATOM 1482 N ASP A 112 -6.084 1.603 -2.960 1.00 0.00 N ATOM 1483 CA ASP A 112 -5.888 0.218 -3.482 1.00 0.00 C ATOM 1484 C ASP A 112 -4.885 0.266 -4.620 1.00 0.00 C ATOM 1485 O ASP A 112 -5.034 0.997 -5.567 1.00 0.00 O ATOM 1486 CB ASP A 112 -7.207 -0.368 -4.022 1.00 0.00 C ATOM 1487 CG ASP A 112 -8.229 -0.589 -2.896 1.00 0.00 C ATOM 1488 OD1 ASP A 112 -7.846 -0.468 -1.749 1.00 0.00 O ATOM 1489 OD2 ASP A 112 -9.379 -0.840 -3.197 1.00 0.00 O ATOM 0 H ASP A 112 -6.511 2.254 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.533 -0.411 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.627 0.306 -4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.007 -1.315 -4.524 1.00 0.00 H new ATOM 1494 N ILE A 113 -3.865 -0.503 -4.527 1.00 0.00 N ATOM 1495 CA ILE A 113 -2.834 -0.508 -5.590 1.00 0.00 C ATOM 1496 C ILE A 113 -3.001 -1.732 -6.481 1.00 0.00 C ATOM 1497 O ILE A 113 -3.513 -2.748 -6.077 1.00 0.00 O ATOM 1498 CB ILE A 113 -1.461 -0.528 -4.943 1.00 0.00 C ATOM 1499 CG1 ILE A 113 -1.341 0.679 -4.000 1.00 0.00 C ATOM 1500 CG2 ILE A 113 -0.377 -0.419 -6.109 1.00 0.00 C ATOM 1501 CD1 ILE A 113 0.198 1.034 -3.747 1.00 0.00 C ATOM 0 H ILE A 113 -3.689 -1.142 -3.752 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.942 0.386 -6.204 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.306 -1.442 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.854 1.539 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.831 0.459 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.624 -0.431 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.489 -1.263 -6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.525 0.511 -6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.268 1.891 -3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.699 0.178 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.677 1.275 -4.696 1.00 0.00 H new ATOM 1513 N VAL A 114 -2.590 -1.638 -7.703 1.00 0.00 N ATOM 1514 CA VAL A 114 -2.716 -2.805 -8.622 1.00 0.00 C ATOM 1515 C VAL A 114 -1.391 -3.556 -8.682 1.00 0.00 C ATOM 1516 O VAL A 114 -0.332 -2.978 -8.795 1.00 0.00 O ATOM 1517 CB VAL A 114 -3.090 -2.319 -10.034 1.00 0.00 C ATOM 1518 CG1 VAL A 114 -2.908 -3.517 -11.061 1.00 0.00 C ATOM 1519 CG2 VAL A 114 -4.627 -1.885 -10.065 1.00 0.00 C ATOM 0 H VAL A 114 -2.170 -0.804 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.496 -3.469 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.452 -1.476 -10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.171 -3.180 -12.064 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -1.870 -3.850 -11.051 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -3.557 -4.344 -10.774 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -4.888 -1.542 -11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.251 -2.738 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.792 -1.079 -9.350 1.00 0.00 H new ATOM 1529 N GLY A 115 -1.462 -4.837 -8.618 1.00 0.00 N ATOM 1530 CA GLY A 115 -0.229 -5.671 -8.664 1.00 0.00 C ATOM 1531 C GLY A 115 0.236 -5.978 -7.246 1.00 0.00 C ATOM 1532 O GLY A 115 -0.544 -6.162 -6.339 1.00 0.00 O ATOM 0 H GLY A 115 -2.332 -5.363 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -0.426 -6.599 -9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.556 -5.147 -9.209 1.00 0.00 H new ATOM 1536 N GLY A 116 1.512 -6.044 -7.058 1.00 0.00 N ATOM 1537 CA GLY A 116 2.065 -6.341 -5.706 1.00 0.00 C ATOM 1538 C GLY A 116 3.507 -6.832 -5.837 1.00 0.00 C ATOM 1539 O GLY A 116 4.440 -6.069 -5.921 1.00 0.00 O ATOM 0 H GLY A 116 2.211 -5.904 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 116 2.030 -5.447 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.456 -7.098 -5.211 1.00 0.00 H new ATOM 1543 N TYR A 117 3.666 -8.111 -5.864 1.00 0.00 N ATOM 1544 CA TYR A 117 5.015 -8.739 -5.995 1.00 0.00 C ATOM 1545 C TYR A 117 5.736 -8.159 -7.203 1.00 0.00 C ATOM 1546 O TYR A 117 6.925 -7.934 -7.195 1.00 0.00 O ATOM 1547 CB TYR A 117 4.788 -10.240 -6.191 1.00 0.00 C ATOM 1548 CG TYR A 117 6.092 -11.019 -6.216 1.00 0.00 C ATOM 1549 CD1 TYR A 117 6.682 -11.468 -5.018 1.00 0.00 C ATOM 1550 CD2 TYR A 117 6.726 -11.277 -7.441 1.00 0.00 C ATOM 1551 CE1 TYR A 117 7.901 -12.153 -5.051 1.00 0.00 C ATOM 1552 CE2 TYR A 117 7.944 -11.956 -7.471 1.00 0.00 C ATOM 1553 CZ TYR A 117 8.533 -12.411 -6.280 1.00 0.00 C ATOM 1554 OH TYR A 117 9.735 -13.086 -6.319 1.00 0.00 O ATOM 0 H TYR A 117 2.898 -8.779 -5.799 1.00 0.00 H new ATOM 0 HA TYR A 117 5.626 -8.550 -5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.156 -10.618 -5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.250 -10.406 -7.124 1.00 0.00 H new ATOM 0 HD1 TYR A 117 6.193 -11.283 -4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 117 6.270 -10.949 -8.363 1.00 0.00 H new ATOM 0 HE1 TYR A 117 8.358 -12.484 -4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 117 8.437 -12.133 -8.416 1.00 0.00 H new ATOM 0 HH TYR A 117 10.028 -13.178 -7.250 1.00 0.00 H new ATOM 1564 N SER A 118 5.016 -7.924 -8.249 1.00 0.00 N ATOM 1565 CA SER A 118 5.640 -7.353 -9.479 1.00 0.00 C ATOM 1566 C SER A 118 6.315 -6.039 -9.135 1.00 0.00 C ATOM 1567 O SER A 118 7.325 -5.675 -9.689 1.00 0.00 O ATOM 1568 CB SER A 118 4.565 -7.124 -10.542 1.00 0.00 C ATOM 1569 OG SER A 118 5.174 -6.691 -11.752 1.00 0.00 O ATOM 0 H SER A 118 4.014 -8.101 -8.315 1.00 0.00 H new ATOM 0 HA SER A 118 6.383 -8.049 -9.870 1.00 0.00 H new ATOM 0 HB2 SER A 118 4.007 -8.045 -10.713 1.00 0.00 H new ATOM 0 HB3 SER A 118 3.850 -6.378 -10.196 1.00 0.00 H new ATOM 0 HG SER A 118 4.484 -6.546 -12.432 1.00 0.00 H new ATOM 1575 N ALA A 119 5.768 -5.326 -8.215 1.00 0.00 N ATOM 1576 CA ALA A 119 6.380 -4.030 -7.818 1.00 0.00 C ATOM 1577 C ALA A 119 7.687 -4.306 -7.086 1.00 0.00 C ATOM 1578 O ALA A 119 8.723 -3.787 -7.415 1.00 0.00 O ATOM 1579 CB ALA A 119 5.380 -3.261 -6.854 1.00 0.00 C ATOM 0 H ALA A 119 4.918 -5.578 -7.711 1.00 0.00 H new ATOM 0 HA ALA A 119 6.577 -3.420 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.820 -2.309 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.440 -3.079 -7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.192 -3.866 -5.967 1.00 0.00 H new ATOM 1585 N TRP A 120 7.640 -5.139 -6.087 1.00 0.00 N ATOM 1586 CA TRP A 120 8.884 -5.486 -5.328 1.00 0.00 C ATOM 1587 C TRP A 120 9.840 -6.142 -6.310 1.00 0.00 C ATOM 1588 O TRP A 120 11.028 -5.924 -6.297 1.00 0.00 O ATOM 1589 CB TRP A 120 8.524 -6.458 -4.176 1.00 0.00 C ATOM 1590 CG TRP A 120 8.579 -5.766 -2.841 1.00 0.00 C ATOM 1591 CD1 TRP A 120 9.188 -6.244 -1.719 1.00 0.00 C ATOM 1592 CD2 TRP A 120 7.981 -4.503 -2.466 1.00 0.00 C ATOM 1593 NE1 TRP A 120 8.983 -5.332 -0.696 1.00 0.00 N ATOM 1594 CE2 TRP A 120 8.233 -4.255 -1.101 1.00 0.00 C ATOM 1595 CE3 TRP A 120 7.204 -3.573 -3.171 1.00 0.00 C ATOM 1596 CZ2 TRP A 120 7.789 -3.081 -0.475 1.00 0.00 C ATOM 1597 CZ3 TRP A 120 6.748 -2.396 -2.558 1.00 0.00 C ATOM 1598 CH2 TRP A 120 7.017 -2.169 -1.198 1.00 0.00 C ATOM 0 H TRP A 120 6.792 -5.600 -5.757 1.00 0.00 H new ATOM 0 HA TRP A 120 9.347 -4.602 -4.890 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.525 -6.863 -4.337 1.00 0.00 H new ATOM 0 HB3 TRP A 120 9.214 -7.302 -4.180 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.735 -7.172 -1.641 1.00 0.00 H new ATOM 0 HE1 TRP A 120 9.347 -5.447 0.250 1.00 0.00 H new ATOM 0 HE3 TRP A 120 6.952 -3.766 -4.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 8.042 -2.884 0.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 6.192 -1.667 -3.130 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.626 -1.288 -0.711 1.00 0.00 H new ATOM 1609 N ALA A 121 9.319 -6.920 -7.200 1.00 0.00 N ATOM 1610 CA ALA A 121 10.186 -7.572 -8.222 1.00 0.00 C ATOM 1611 C ALA A 121 10.687 -6.510 -9.189 1.00 0.00 C ATOM 1612 O ALA A 121 11.732 -6.622 -9.780 1.00 0.00 O ATOM 1613 CB ALA A 121 9.332 -8.645 -9.022 1.00 0.00 C ATOM 0 H ALA A 121 8.325 -7.139 -7.271 1.00 0.00 H new ATOM 0 HA ALA A 121 11.030 -8.063 -7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.961 -9.125 -9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 121 8.953 -9.397 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.495 -8.150 -9.514 1.00 0.00 H new ATOM 1619 N LYS A 122 9.935 -5.464 -9.359 1.00 0.00 N ATOM 1620 CA LYS A 122 10.357 -4.376 -10.286 1.00 0.00 C ATOM 1621 C LYS A 122 11.736 -3.893 -9.836 1.00 0.00 C ATOM 1622 O LYS A 122 12.632 -3.698 -10.623 1.00 0.00 O ATOM 1623 CB LYS A 122 9.337 -3.229 -10.228 1.00 0.00 C ATOM 1624 CG LYS A 122 9.565 -2.295 -11.413 1.00 0.00 C ATOM 1625 CD LYS A 122 8.832 -0.965 -11.168 1.00 0.00 C ATOM 1626 CE LYS A 122 7.344 -1.223 -10.916 1.00 0.00 C ATOM 1627 NZ LYS A 122 6.856 -2.329 -11.911 1.00 0.00 N ATOM 0 H LYS A 122 9.040 -5.312 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 122 10.406 -4.734 -11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.323 -3.627 -10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.441 -2.681 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 122 10.632 -2.115 -11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.202 -2.759 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 122 9.270 -0.452 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.954 -0.309 -12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.184 -1.543 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.771 -0.306 -11.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.832 -2.230 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.355 -2.225 -12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.056 -3.268 -11.512 1.00 0.00 H new ATOM 1641 N ASN A 123 11.930 -3.737 -8.556 1.00 0.00 N ATOM 1642 CA ASN A 123 13.273 -3.304 -8.040 1.00 0.00 C ATOM 1643 C ASN A 123 14.145 -4.541 -7.874 1.00 0.00 C ATOM 1644 O ASN A 123 15.152 -4.704 -8.520 1.00 0.00 O ATOM 1645 CB ASN A 123 13.108 -2.651 -6.668 1.00 0.00 C ATOM 1646 CG ASN A 123 14.409 -2.026 -6.193 1.00 0.00 C ATOM 1647 OD1 ASN A 123 15.084 -2.547 -5.334 1.00 0.00 O ATOM 1648 ND2 ASN A 123 14.784 -0.905 -6.720 1.00 0.00 N ATOM 0 H ASN A 123 11.220 -3.889 -7.839 1.00 0.00 H new ATOM 0 HA ASN A 123 13.724 -2.597 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 123 12.332 -1.887 -6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 123 12.775 -3.397 -5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 123 15.649 -0.460 -6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 123 14.215 -0.466 -7.444 1.00 0.00 H new ATOM 1655 N GLY A 124 13.762 -5.409 -6.989 1.00 0.00 N ATOM 1656 CA GLY A 124 14.555 -6.650 -6.745 1.00 0.00 C ATOM 1657 C GLY A 124 14.636 -6.894 -5.239 1.00 0.00 C ATOM 1658 O GLY A 124 15.644 -7.303 -4.714 1.00 0.00 O ATOM 0 H GLY A 124 12.924 -5.316 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 124 14.087 -7.501 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 124 15.556 -6.547 -7.165 1.00 0.00 H new ATOM 1662 N LEU A 125 13.573 -6.648 -4.537 1.00 0.00 N ATOM 1663 CA LEU A 125 13.592 -6.862 -3.059 1.00 0.00 C ATOM 1664 C LEU A 125 12.865 -8.166 -2.726 1.00 0.00 C ATOM 1665 O LEU A 125 11.772 -8.407 -3.186 1.00 0.00 O ATOM 1666 CB LEU A 125 12.893 -5.685 -2.358 1.00 0.00 C ATOM 1667 CG LEU A 125 13.628 -4.385 -2.719 1.00 0.00 C ATOM 1668 CD1 LEU A 125 12.565 -3.229 -2.984 1.00 0.00 C ATOM 1669 CD2 LEU A 125 14.545 -3.936 -1.490 1.00 0.00 C ATOM 0 H LEU A 125 12.689 -6.308 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 125 14.624 -6.923 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 125 11.850 -5.627 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.897 -5.833 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 125 14.235 -4.556 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 125 13.087 -2.307 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.912 -3.517 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.968 -3.071 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.068 -3.014 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.921 -3.770 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.273 -4.718 -1.275 1.00 0.00 H new ATOM 1681 N PRO A 126 13.501 -9.023 -1.980 1.00 0.00 N ATOM 1682 CA PRO A 126 12.910 -10.325 -1.591 1.00 0.00 C ATOM 1683 C PRO A 126 11.461 -10.219 -1.166 1.00 0.00 C ATOM 1684 O PRO A 126 10.737 -9.332 -1.569 1.00 0.00 O ATOM 1685 CB PRO A 126 13.789 -10.788 -0.420 1.00 0.00 C ATOM 1686 CG PRO A 126 15.109 -10.109 -0.572 1.00 0.00 C ATOM 1687 CD PRO A 126 14.912 -8.866 -1.453 1.00 0.00 C ATOM 0 HA PRO A 126 12.895 -11.021 -2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 126 13.329 -10.529 0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 126 13.909 -11.871 -0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 126 15.505 -9.825 0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 126 15.834 -10.785 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 126 15.026 -7.946 -0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 126 15.641 -8.829 -2.263 1.00 0.00 H new