USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 695 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 49 GLN : amide:sc= -7.66! C(o=-8.8!,f=-3.3!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 141:sc= -1.18! (180deg=0) USER MOD Set 2.1: A 36 THR OG1 : rot -75:sc= 1.95 USER MOD Set 2.2: A 40 TYR OH : rot -15:sc= -3.74! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 162:sc= -1.07! USER MOD Single : A 22 GLN : amide:sc= -5.72! C(o=-5.7!,f=-4.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.12 K(o=-2.1,f=-0.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.19! C(o=-5.2!,f=-9.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -5.49! C(o=-5.5!,f=-3.9!) USER MOD Single : A 58 THR OG1 : rot -38:sc= 0.0982 USER MOD Single : A 59 ASN : amide:sc= -2.74 X(o=-2.7,f=-3!) USER MOD Single : A 60 TYR OH : rot 180:sc= -4.45! USER MOD Single : A 61 TYR OH : rot -15:sc= -2.11! USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 93 LYS NZ :NH3+ -114:sc= -0.0718 (180deg=-0.856) USER MOD Single : A 94 TYR OH : rot 110:sc= -1.05 USER MOD Single : A 95 MET CE :methyl 134:sc= -10.8! (180deg=-13.3!) USER MOD Single : A 96 HIS : no HE2:sc= -24.6! C(o=-25!,f=-27!) USER MOD Single : A 98 LYS NZ :NH3+ -131:sc= -0.425 (180deg=-1.65) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot -140:sc= -4.74! USER MOD Single : A 113 TYR OH : rot 40:sc= -0.868 USER MOD Single : A 114 GLN : amide:sc= -7.52! C(o=-7.5!,f=-10!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.973! USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -8.623 -0.203 9.821 1.00 0.00 N ATOM 68 CA LEU A 11 -7.346 -0.247 10.582 1.00 0.00 C ATOM 69 C LEU A 11 -7.341 -1.412 11.550 1.00 0.00 C ATOM 70 O LEU A 11 -7.407 -1.264 12.755 1.00 0.00 O ATOM 71 CB LEU A 11 -7.137 1.074 11.299 1.00 0.00 C ATOM 72 CG LEU A 11 -6.473 1.990 10.290 1.00 0.00 C ATOM 73 CD1 LEU A 11 -7.325 3.243 10.082 1.00 0.00 C ATOM 74 CD2 LEU A 11 -5.083 2.390 10.784 1.00 0.00 C ATOM 0 HA LEU A 11 -6.518 -0.398 9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.086 1.489 11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.511 0.945 12.182 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.378 1.460 9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.841 3.896 9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.310 2.956 9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.433 3.771 11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.613 3.048 10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.172 2.911 11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.472 1.497 10.914 1.00 0.00 H new ATOM 86 N SER A 12 -7.243 -2.575 10.998 1.00 0.00 N ATOM 87 CA SER A 12 -7.206 -3.819 11.822 1.00 0.00 C ATOM 88 C SER A 12 -5.772 -4.341 11.896 1.00 0.00 C ATOM 89 O SER A 12 -4.853 -3.735 11.384 1.00 0.00 O ATOM 90 CB SER A 12 -8.101 -4.884 11.188 1.00 0.00 C ATOM 91 OG SER A 12 -8.754 -5.618 12.216 1.00 0.00 O ATOM 0 H SER A 12 -7.185 -2.729 9.991 1.00 0.00 H new ATOM 0 HA SER A 12 -7.565 -3.595 12.826 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.837 -4.416 10.535 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.506 -5.554 10.568 1.00 0.00 H new ATOM 0 HG SER A 12 -9.331 -6.301 11.814 1.00 0.00 H new ATOM 97 N GLU A 13 -5.575 -5.468 12.522 1.00 0.00 N ATOM 98 CA GLU A 13 -4.209 -6.038 12.619 1.00 0.00 C ATOM 99 C GLU A 13 -3.579 -6.070 11.225 1.00 0.00 C ATOM 100 O GLU A 13 -4.186 -5.662 10.256 1.00 0.00 O ATOM 101 CB GLU A 13 -4.285 -7.460 13.180 1.00 0.00 C ATOM 102 CG GLU A 13 -2.922 -7.854 13.752 1.00 0.00 C ATOM 103 CD GLU A 13 -3.115 -8.821 14.921 1.00 0.00 C ATOM 104 OE1 GLU A 13 -3.352 -9.990 14.663 1.00 0.00 O ATOM 105 OE2 GLU A 13 -3.024 -8.376 16.053 1.00 0.00 O ATOM 0 H GLU A 13 -6.307 -6.018 12.971 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.601 -5.423 13.282 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.048 -7.516 13.957 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.578 -8.157 12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.313 -8.321 12.978 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.386 -6.966 14.087 1.00 0.00 H new ATOM 112 N ALA A 14 -2.369 -6.546 11.110 1.00 0.00 N ATOM 113 CA ALA A 14 -1.727 -6.585 9.764 1.00 0.00 C ATOM 114 C ALA A 14 -2.202 -7.792 8.981 1.00 0.00 C ATOM 115 O ALA A 14 -1.740 -8.896 9.190 1.00 0.00 O ATOM 116 CB ALA A 14 -0.207 -6.705 9.875 1.00 0.00 C ATOM 0 H ALA A 14 -1.803 -6.905 11.879 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.001 -5.656 9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.230 -6.731 8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.187 -5.848 10.421 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.048 -7.622 10.406 1.00 0.00 H new ATOM 122 N LYS A 15 -3.055 -7.600 8.026 1.00 0.00 N ATOM 123 CA LYS A 15 -3.448 -8.754 7.201 1.00 0.00 C ATOM 124 C LYS A 15 -2.242 -8.986 6.307 1.00 0.00 C ATOM 125 O LYS A 15 -1.695 -8.043 5.784 1.00 0.00 O ATOM 126 CB LYS A 15 -4.689 -8.415 6.371 1.00 0.00 C ATOM 127 CG LYS A 15 -5.839 -8.048 7.312 1.00 0.00 C ATOM 128 CD LYS A 15 -6.346 -9.308 8.018 1.00 0.00 C ATOM 129 CE LYS A 15 -5.647 -9.455 9.374 1.00 0.00 C ATOM 130 NZ LYS A 15 -6.661 -9.426 10.465 1.00 0.00 N ATOM 0 H LYS A 15 -3.489 -6.709 7.786 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.706 -9.634 7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.475 -7.585 5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.969 -9.266 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.502 -7.318 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.649 -7.583 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.425 -9.249 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.153 -10.185 7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.089 -10.391 9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.926 -8.649 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.185 -9.526 11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.175 -8.522 10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.332 -10.210 10.336 1.00 0.00 H new ATOM 144 N PRO A 16 -1.814 -10.199 6.181 1.00 0.00 N ATOM 145 CA PRO A 16 -0.622 -10.478 5.384 1.00 0.00 C ATOM 146 C PRO A 16 -0.921 -10.191 3.911 1.00 0.00 C ATOM 147 O PRO A 16 -1.933 -10.606 3.383 1.00 0.00 O ATOM 148 CB PRO A 16 -0.333 -11.957 5.663 1.00 0.00 C ATOM 149 CG PRO A 16 -1.660 -12.563 6.177 1.00 0.00 C ATOM 150 CD PRO A 16 -2.468 -11.386 6.763 1.00 0.00 C ATOM 0 HA PRO A 16 0.243 -9.862 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.004 -12.466 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.459 -12.066 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.207 -13.047 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.473 -13.324 6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.520 -11.442 6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.427 -11.374 7.852 1.00 0.00 H new ATOM 158 N ALA A 17 -0.074 -9.442 3.257 1.00 0.00 N ATOM 159 CA ALA A 17 -0.342 -9.083 1.835 1.00 0.00 C ATOM 160 C ALA A 17 -0.900 -10.268 1.046 1.00 0.00 C ATOM 161 O ALA A 17 -0.874 -11.405 1.473 1.00 0.00 O ATOM 162 CB ALA A 17 0.938 -8.606 1.157 1.00 0.00 C ATOM 0 H ALA A 17 0.790 -9.064 3.645 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.085 -8.285 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.726 -8.348 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.321 -7.729 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.684 -9.400 1.188 1.00 0.00 H new ATOM 168 N THR A 18 -1.389 -9.976 -0.123 1.00 0.00 N ATOM 169 CA THR A 18 -1.955 -11.011 -1.023 1.00 0.00 C ATOM 170 C THR A 18 -1.711 -10.511 -2.447 1.00 0.00 C ATOM 171 O THR A 18 -0.949 -9.584 -2.617 1.00 0.00 O ATOM 172 CB THR A 18 -3.459 -11.159 -0.749 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.185 -10.292 -1.595 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.774 -10.783 0.683 1.00 0.00 C ATOM 0 H THR A 18 -1.420 -9.030 -0.503 1.00 0.00 H new ATOM 0 HA THR A 18 -1.494 -11.987 -0.869 1.00 0.00 H new ATOM 0 HB THR A 18 -3.737 -12.197 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.121 -10.581 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.844 -10.893 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.224 -11.437 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.481 -9.748 0.860 1.00 0.00 H new ATOM 182 N PRO A 19 -2.351 -11.075 -3.440 1.00 0.00 N ATOM 183 CA PRO A 19 -2.160 -10.585 -4.807 1.00 0.00 C ATOM 184 C PRO A 19 -2.884 -9.243 -4.950 1.00 0.00 C ATOM 185 O PRO A 19 -2.588 -8.445 -5.823 1.00 0.00 O ATOM 186 CB PRO A 19 -2.765 -11.684 -5.686 1.00 0.00 C ATOM 187 CG PRO A 19 -3.738 -12.476 -4.783 1.00 0.00 C ATOM 188 CD PRO A 19 -3.298 -12.215 -3.329 1.00 0.00 C ATOM 0 HA PRO A 19 -1.122 -10.402 -5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.289 -11.254 -6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.987 -12.335 -6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.766 -12.150 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.702 -13.541 -5.014 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.148 -11.968 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.818 -13.092 -2.893 1.00 0.00 H new ATOM 196 N GLU A 20 -3.807 -8.967 -4.066 1.00 0.00 N ATOM 197 CA GLU A 20 -4.524 -7.666 -4.134 1.00 0.00 C ATOM 198 C GLU A 20 -3.677 -6.610 -3.444 1.00 0.00 C ATOM 199 O GLU A 20 -3.464 -5.537 -3.962 1.00 0.00 O ATOM 200 CB GLU A 20 -5.880 -7.780 -3.439 1.00 0.00 C ATOM 201 CG GLU A 20 -6.845 -8.552 -4.340 1.00 0.00 C ATOM 202 CD GLU A 20 -7.362 -7.626 -5.443 1.00 0.00 C ATOM 203 OE1 GLU A 20 -6.867 -6.516 -5.539 1.00 0.00 O ATOM 204 OE2 GLU A 20 -8.246 -8.044 -6.173 1.00 0.00 O ATOM 0 H GLU A 20 -4.092 -9.584 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.690 -7.389 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.770 -8.291 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.277 -6.788 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.340 -9.412 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.679 -8.937 -3.753 1.00 0.00 H new ATOM 211 N ILE A 21 -3.163 -6.922 -2.295 1.00 0.00 N ATOM 212 CA ILE A 21 -2.292 -5.953 -1.589 1.00 0.00 C ATOM 213 C ILE A 21 -1.136 -5.632 -2.523 1.00 0.00 C ATOM 214 O ILE A 21 -0.869 -4.494 -2.853 1.00 0.00 O ATOM 215 CB ILE A 21 -1.774 -6.613 -0.311 1.00 0.00 C ATOM 216 CG1 ILE A 21 -2.917 -7.394 0.350 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.255 -5.544 0.651 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.224 -6.610 0.242 1.00 0.00 C ATOM 0 H ILE A 21 -3.309 -7.809 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.826 -5.040 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.959 -7.294 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.027 -8.367 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.682 -7.580 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.887 -6.020 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.444 -4.991 0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.063 -4.858 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.027 -7.175 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.114 -5.648 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.465 -6.447 -0.809 1.00 0.00 H new ATOM 230 N GLN A 22 -0.472 -6.653 -2.969 1.00 0.00 N ATOM 231 CA GLN A 22 0.661 -6.461 -3.917 1.00 0.00 C ATOM 232 C GLN A 22 0.151 -5.751 -5.175 1.00 0.00 C ATOM 233 O GLN A 22 0.912 -5.151 -5.901 1.00 0.00 O ATOM 234 CB GLN A 22 1.261 -7.816 -4.307 1.00 0.00 C ATOM 235 CG GLN A 22 2.209 -7.639 -5.501 1.00 0.00 C ATOM 236 CD GLN A 22 3.492 -6.928 -5.054 1.00 0.00 C ATOM 237 OE1 GLN A 22 4.338 -7.526 -4.420 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.675 -5.667 -5.357 1.00 0.00 N ATOM 0 H GLN A 22 -0.664 -7.623 -2.718 1.00 0.00 H new ATOM 0 HA GLN A 22 1.431 -5.858 -3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.801 -8.242 -3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.466 -8.516 -4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.453 -8.611 -5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.717 -7.061 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.966 -5.162 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.526 -5.190 -5.061 1.00 0.00 H new ATOM 247 N GLU A 23 -1.127 -5.811 -5.451 1.00 0.00 N ATOM 248 CA GLU A 23 -1.642 -5.113 -6.665 1.00 0.00 C ATOM 249 C GLU A 23 -1.689 -3.603 -6.393 1.00 0.00 C ATOM 250 O GLU A 23 -1.325 -2.801 -7.225 1.00 0.00 O ATOM 251 CB GLU A 23 -3.048 -5.619 -6.996 1.00 0.00 C ATOM 252 CG GLU A 23 -3.180 -5.815 -8.507 1.00 0.00 C ATOM 253 CD GLU A 23 -4.109 -6.997 -8.792 1.00 0.00 C ATOM 254 OE1 GLU A 23 -3.720 -8.115 -8.496 1.00 0.00 O ATOM 255 OE2 GLU A 23 -5.193 -6.764 -9.301 1.00 0.00 O ATOM 0 H GLU A 23 -1.826 -6.306 -4.897 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.983 -5.315 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.238 -6.560 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.794 -4.906 -6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.575 -4.910 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.199 -5.996 -8.948 1.00 0.00 H new ATOM 262 N ILE A 24 -2.115 -3.226 -5.219 1.00 0.00 N ATOM 263 CA ILE A 24 -2.181 -1.781 -4.833 1.00 0.00 C ATOM 264 C ILE A 24 -0.785 -1.194 -4.898 1.00 0.00 C ATOM 265 O ILE A 24 -0.548 -0.162 -5.493 1.00 0.00 O ATOM 266 CB ILE A 24 -2.690 -1.710 -3.395 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.188 -2.007 -3.368 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.436 -0.323 -2.827 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.476 -3.046 -2.284 1.00 0.00 C ATOM 0 H ILE A 24 -2.428 -3.871 -4.493 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.840 -1.227 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.162 -2.448 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.748 -1.093 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.515 -2.378 -4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.801 -0.278 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.366 -0.114 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.958 0.419 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.544 -3.261 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.926 -3.961 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.163 -2.657 -1.315 1.00 0.00 H new ATOM 281 N VAL A 25 0.135 -1.857 -4.286 1.00 0.00 N ATOM 282 CA VAL A 25 1.526 -1.387 -4.285 1.00 0.00 C ATOM 283 C VAL A 25 2.060 -1.432 -5.702 1.00 0.00 C ATOM 284 O VAL A 25 2.742 -0.543 -6.162 1.00 0.00 O ATOM 285 CB VAL A 25 2.306 -2.337 -3.429 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.215 -3.694 -4.059 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.752 -1.922 -3.378 1.00 0.00 C ATOM 0 H VAL A 25 -0.024 -2.725 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 25 1.603 -0.367 -3.907 1.00 0.00 H new ATOM 0 HB VAL A 25 1.905 -2.342 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.774 -4.412 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.171 -4.001 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.634 -3.657 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.309 -2.620 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.167 -1.926 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.828 -0.919 -2.958 1.00 0.00 H new ATOM 297 N ASP A 26 1.723 -2.469 -6.396 1.00 0.00 N ATOM 298 CA ASP A 26 2.167 -2.604 -7.806 1.00 0.00 C ATOM 299 C ASP A 26 1.386 -1.589 -8.630 1.00 0.00 C ATOM 300 O ASP A 26 1.709 -1.301 -9.765 1.00 0.00 O ATOM 301 CB ASP A 26 1.870 -4.017 -8.311 1.00 0.00 C ATOM 302 CG ASP A 26 2.639 -4.268 -9.609 1.00 0.00 C ATOM 303 OD1 ASP A 26 3.318 -3.360 -10.058 1.00 0.00 O ATOM 304 OD2 ASP A 26 2.534 -5.365 -10.134 1.00 0.00 O ATOM 0 H ASP A 26 1.153 -3.240 -6.047 1.00 0.00 H new ATOM 0 HA ASP A 26 3.239 -2.427 -7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.157 -4.751 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.800 -4.136 -8.481 1.00 0.00 H new ATOM 309 N LYS A 27 0.356 -1.037 -8.047 1.00 0.00 N ATOM 310 CA LYS A 27 -0.465 -0.023 -8.777 1.00 0.00 C ATOM 311 C LYS A 27 0.015 1.380 -8.398 1.00 0.00 C ATOM 312 O LYS A 27 -0.372 2.364 -8.997 1.00 0.00 O ATOM 313 CB LYS A 27 -1.948 -0.171 -8.400 1.00 0.00 C ATOM 314 CG LYS A 27 -2.748 -0.572 -9.642 1.00 0.00 C ATOM 315 CD LYS A 27 -2.764 0.592 -10.635 1.00 0.00 C ATOM 316 CE LYS A 27 -3.075 0.069 -12.039 1.00 0.00 C ATOM 317 NZ LYS A 27 -3.163 1.215 -12.988 1.00 0.00 N ATOM 0 H LYS A 27 0.046 -1.243 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.354 -0.178 -9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.063 -0.924 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.328 0.767 -7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.304 -1.453 -10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.767 -0.839 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.512 1.327 -10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.799 1.099 -10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.298 -0.625 -12.361 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.014 -0.485 -12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.374 0.860 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.919 1.861 -12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.257 1.725 -13.001 1.00 0.00 H new ATOM 331 N VAL A 28 0.839 1.478 -7.394 1.00 0.00 N ATOM 332 CA VAL A 28 1.329 2.818 -6.955 1.00 0.00 C ATOM 333 C VAL A 28 2.860 2.889 -7.012 1.00 0.00 C ATOM 334 O VAL A 28 3.447 3.924 -6.766 1.00 0.00 O ATOM 335 CB VAL A 28 0.875 3.042 -5.521 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.644 3.214 -5.490 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.265 1.822 -4.693 1.00 0.00 C ATOM 0 H VAL A 28 1.196 0.688 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 28 0.926 3.582 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 28 1.346 3.937 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.971 3.375 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.925 4.073 -6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.120 2.317 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.946 1.966 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.781 0.935 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.347 1.692 -4.724 1.00 0.00 H new ATOM 347 N LYS A 29 3.516 1.803 -7.326 1.00 0.00 N ATOM 348 CA LYS A 29 5.002 1.822 -7.388 1.00 0.00 C ATOM 349 C LYS A 29 5.505 3.028 -8.197 1.00 0.00 C ATOM 350 O LYS A 29 6.419 3.696 -7.760 1.00 0.00 O ATOM 351 CB LYS A 29 5.513 0.525 -8.018 1.00 0.00 C ATOM 352 CG LYS A 29 7.032 0.605 -8.190 1.00 0.00 C ATOM 353 CD LYS A 29 7.603 -0.806 -8.356 1.00 0.00 C ATOM 354 CE LYS A 29 7.682 -1.151 -9.844 1.00 0.00 C ATOM 355 NZ LYS A 29 7.604 -2.629 -10.016 1.00 0.00 N ATOM 0 H LYS A 29 3.084 0.904 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 29 5.385 1.908 -6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.252 -0.325 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.035 0.364 -8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.278 1.213 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.481 1.091 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.594 -0.865 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.973 -1.528 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.868 -0.668 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.613 -0.774 -10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.658 -2.864 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.395 -3.079 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.704 -2.977 -9.627 1.00 0.00 H new ATOM 369 N PRO A 30 4.913 3.288 -9.344 1.00 0.00 N ATOM 370 CA PRO A 30 5.332 4.424 -10.187 1.00 0.00 C ATOM 371 C PRO A 30 4.882 5.740 -9.557 1.00 0.00 C ATOM 372 O PRO A 30 5.591 6.727 -9.585 1.00 0.00 O ATOM 373 CB PRO A 30 4.643 4.164 -11.529 1.00 0.00 C ATOM 374 CG PRO A 30 3.453 3.224 -11.230 1.00 0.00 C ATOM 375 CD PRO A 30 3.782 2.508 -9.906 1.00 0.00 C ATOM 0 HA PRO A 30 6.413 4.506 -10.300 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.299 5.096 -11.977 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.332 3.705 -12.238 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.525 3.789 -11.145 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.315 2.504 -12.037 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.926 2.505 -9.231 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.060 1.467 -10.074 1.00 0.00 H new ATOM 383 N GLN A 31 3.728 5.757 -8.955 1.00 0.00 N ATOM 384 CA GLN A 31 3.267 7.006 -8.291 1.00 0.00 C ATOM 385 C GLN A 31 4.114 7.217 -7.035 1.00 0.00 C ATOM 386 O GLN A 31 4.027 8.232 -6.377 1.00 0.00 O ATOM 387 CB GLN A 31 1.794 6.873 -7.899 1.00 0.00 C ATOM 388 CG GLN A 31 0.912 7.120 -9.124 1.00 0.00 C ATOM 389 CD GLN A 31 -0.103 5.985 -9.262 1.00 0.00 C ATOM 390 OE1 GLN A 31 -0.477 5.619 -10.359 1.00 0.00 O ATOM 391 NE2 GLN A 31 -0.568 5.407 -8.187 1.00 0.00 N ATOM 0 H GLN A 31 3.087 4.966 -8.894 1.00 0.00 H new ATOM 0 HA GLN A 31 3.373 7.853 -8.969 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.603 5.879 -7.496 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.551 7.588 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.395 8.074 -9.026 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.528 7.182 -10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.254 5.714 -7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.245 4.648 -8.268 1.00 0.00 H new ATOM 400 N LEU A 32 4.931 6.251 -6.701 1.00 0.00 N ATOM 401 CA LEU A 32 5.790 6.366 -5.493 1.00 0.00 C ATOM 402 C LEU A 32 7.214 6.752 -5.902 1.00 0.00 C ATOM 403 O LEU A 32 7.896 7.474 -5.203 1.00 0.00 O ATOM 404 CB LEU A 32 5.802 5.025 -4.775 1.00 0.00 C ATOM 405 CG LEU A 32 4.745 5.054 -3.677 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.732 3.715 -2.961 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.075 6.164 -2.677 1.00 0.00 C ATOM 0 H LEU A 32 5.038 5.380 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 32 5.397 7.137 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.596 4.217 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.786 4.833 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 32 3.766 5.245 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.978 3.730 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.498 2.924 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.711 3.528 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.319 6.184 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.053 5.975 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.089 7.125 -3.192 1.00 0.00 H new ATOM 419 N GLU A 33 7.672 6.273 -7.028 1.00 0.00 N ATOM 420 CA GLU A 33 9.055 6.608 -7.474 1.00 0.00 C ATOM 421 C GLU A 33 9.250 8.124 -7.463 1.00 0.00 C ATOM 422 O GLU A 33 10.228 8.628 -6.951 1.00 0.00 O ATOM 423 CB GLU A 33 9.283 6.085 -8.895 1.00 0.00 C ATOM 424 CG GLU A 33 8.818 4.631 -8.988 1.00 0.00 C ATOM 425 CD GLU A 33 9.401 3.984 -10.245 1.00 0.00 C ATOM 426 OE1 GLU A 33 9.046 4.417 -11.330 1.00 0.00 O ATOM 427 OE2 GLU A 33 10.188 3.063 -10.103 1.00 0.00 O ATOM 0 H GLU A 33 7.148 5.665 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 33 9.768 6.142 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.736 6.699 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.339 6.157 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.136 4.080 -8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.729 4.588 -9.017 1.00 0.00 H new ATOM 434 N GLU A 34 8.338 8.856 -8.038 1.00 0.00 N ATOM 435 CA GLU A 34 8.495 10.340 -8.067 1.00 0.00 C ATOM 436 C GLU A 34 7.917 10.961 -6.792 1.00 0.00 C ATOM 437 O GLU A 34 8.518 11.832 -6.194 1.00 0.00 O ATOM 438 CB GLU A 34 7.762 10.906 -9.286 1.00 0.00 C ATOM 439 CG GLU A 34 8.779 11.509 -10.257 1.00 0.00 C ATOM 440 CD GLU A 34 9.678 10.401 -10.805 1.00 0.00 C ATOM 441 OE1 GLU A 34 9.998 9.497 -10.049 1.00 0.00 O ATOM 442 OE2 GLU A 34 10.033 10.473 -11.969 1.00 0.00 O ATOM 0 H GLU A 34 7.496 8.496 -8.487 1.00 0.00 H new ATOM 0 HA GLU A 34 9.556 10.582 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.194 10.118 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.047 11.666 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.263 12.012 -11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.381 12.262 -9.749 1.00 0.00 H new ATOM 449 N LYS A 35 6.756 10.533 -6.375 1.00 0.00 N ATOM 450 CA LYS A 35 6.145 11.115 -5.143 1.00 0.00 C ATOM 451 C LYS A 35 7.212 11.274 -4.058 1.00 0.00 C ATOM 452 O LYS A 35 7.107 12.122 -3.194 1.00 0.00 O ATOM 453 CB LYS A 35 5.042 10.188 -4.629 1.00 0.00 C ATOM 454 CG LYS A 35 3.685 10.658 -5.159 1.00 0.00 C ATOM 455 CD LYS A 35 3.168 11.806 -4.288 1.00 0.00 C ATOM 456 CE LYS A 35 1.788 12.244 -4.783 1.00 0.00 C ATOM 457 NZ LYS A 35 0.896 12.484 -3.613 1.00 0.00 N ATOM 0 H LYS A 35 6.204 9.807 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 35 5.723 12.091 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.234 9.165 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.036 10.184 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.781 10.987 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.974 9.832 -5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.108 11.488 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.862 12.645 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.875 13.152 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.361 11.477 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.043 12.782 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.805 11.608 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.303 13.230 -3.014 1.00 0.00 H new ATOM 471 N THR A 36 8.236 10.467 -4.091 1.00 0.00 N ATOM 472 CA THR A 36 9.299 10.580 -3.052 1.00 0.00 C ATOM 473 C THR A 36 10.539 11.254 -3.643 1.00 0.00 C ATOM 474 O THR A 36 10.826 12.395 -3.344 1.00 0.00 O ATOM 475 CB THR A 36 9.664 9.183 -2.524 1.00 0.00 C ATOM 476 OG1 THR A 36 10.085 8.340 -3.585 1.00 0.00 O ATOM 477 CG2 THR A 36 8.445 8.567 -1.859 1.00 0.00 C ATOM 0 H THR A 36 8.383 9.737 -4.789 1.00 0.00 H new ATOM 0 HA THR A 36 8.926 11.187 -2.227 1.00 0.00 H new ATOM 0 HB THR A 36 10.479 9.283 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.305 8.052 -4.104 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.698 7.576 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.124 9.199 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.637 8.484 -2.586 1.00 0.00 H new ATOM 485 N ASN A 37 11.259 10.552 -4.480 1.00 0.00 N ATOM 486 CA ASN A 37 12.491 11.115 -5.117 1.00 0.00 C ATOM 487 C ASN A 37 13.483 9.978 -5.383 1.00 0.00 C ATOM 488 O ASN A 37 14.677 10.137 -5.228 1.00 0.00 O ATOM 489 CB ASN A 37 13.156 12.142 -4.197 1.00 0.00 C ATOM 490 CG ASN A 37 13.201 11.598 -2.767 1.00 0.00 C ATOM 491 OD1 ASN A 37 13.469 10.432 -2.558 1.00 0.00 O ATOM 492 ND2 ASN A 37 12.948 12.399 -1.768 1.00 0.00 N ATOM 0 H ASN A 37 11.042 9.594 -4.755 1.00 0.00 H new ATOM 0 HA ASN A 37 12.208 11.604 -6.049 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.166 12.358 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.602 13.080 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.975 12.046 -0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.723 13.378 -1.944 1.00 0.00 H new ATOM 499 N GLU A 38 13.000 8.833 -5.782 1.00 0.00 N ATOM 500 CA GLU A 38 13.918 7.692 -6.055 1.00 0.00 C ATOM 501 C GLU A 38 13.176 6.628 -6.864 1.00 0.00 C ATOM 502 O GLU A 38 12.029 6.796 -7.226 1.00 0.00 O ATOM 503 CB GLU A 38 14.396 7.090 -4.732 1.00 0.00 C ATOM 504 CG GLU A 38 13.194 6.579 -3.937 1.00 0.00 C ATOM 505 CD GLU A 38 13.185 7.230 -2.553 1.00 0.00 C ATOM 506 OE1 GLU A 38 13.851 6.713 -1.671 1.00 0.00 O ATOM 507 OE2 GLU A 38 12.508 8.233 -2.396 1.00 0.00 O ATOM 0 H GLU A 38 12.010 8.639 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 38 14.780 8.045 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.092 6.273 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.935 7.840 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.269 6.811 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.243 5.494 -3.840 1.00 0.00 H new ATOM 514 N THR A 39 13.824 5.535 -7.158 1.00 0.00 N ATOM 515 CA THR A 39 13.156 4.467 -7.955 1.00 0.00 C ATOM 516 C THR A 39 12.991 3.200 -7.112 1.00 0.00 C ATOM 517 O THR A 39 13.944 2.663 -6.586 1.00 0.00 O ATOM 518 CB THR A 39 14.013 4.143 -9.180 1.00 0.00 C ATOM 519 OG1 THR A 39 14.962 5.181 -9.382 1.00 0.00 O ATOM 520 CG2 THR A 39 13.120 4.017 -10.414 1.00 0.00 C ATOM 0 H THR A 39 14.785 5.335 -6.882 1.00 0.00 H new ATOM 0 HA THR A 39 12.173 4.820 -8.266 1.00 0.00 H new ATOM 0 HB THR A 39 14.535 3.200 -9.017 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.512 4.973 -10.166 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.733 3.786 -11.285 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.395 3.218 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.594 4.957 -10.580 1.00 0.00 H new ATOM 528 N TYR A 40 11.787 2.705 -7.003 1.00 0.00 N ATOM 529 CA TYR A 40 11.559 1.456 -6.222 1.00 0.00 C ATOM 530 C TYR A 40 11.374 0.301 -7.208 1.00 0.00 C ATOM 531 O TYR A 40 11.242 0.512 -8.397 1.00 0.00 O ATOM 532 CB TYR A 40 10.301 1.602 -5.357 1.00 0.00 C ATOM 533 CG TYR A 40 10.410 2.846 -4.504 1.00 0.00 C ATOM 534 CD1 TYR A 40 10.319 4.112 -5.095 1.00 0.00 C ATOM 535 CD2 TYR A 40 10.608 2.734 -3.120 1.00 0.00 C ATOM 536 CE1 TYR A 40 10.424 5.263 -4.307 1.00 0.00 C ATOM 537 CE2 TYR A 40 10.714 3.886 -2.335 1.00 0.00 C ATOM 538 CZ TYR A 40 10.623 5.149 -2.929 1.00 0.00 C ATOM 539 OH TYR A 40 10.732 6.281 -2.153 1.00 0.00 O ATOM 0 H TYR A 40 10.951 3.113 -7.422 1.00 0.00 H new ATOM 0 HA TYR A 40 12.410 1.264 -5.569 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.417 1.661 -5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.180 0.724 -4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.168 4.200 -6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.679 1.759 -2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.351 6.239 -4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.866 3.801 -1.269 1.00 0.00 H new ATOM 0 HH TYR A 40 10.889 7.058 -2.729 1.00 0.00 H new ATOM 549 N GLY A 43 11.369 -0.915 -6.738 1.00 0.00 N ATOM 550 CA GLY A 43 11.197 -2.064 -7.675 1.00 0.00 C ATOM 551 C GLY A 43 10.089 -2.985 -7.167 1.00 0.00 C ATOM 552 O GLY A 43 9.169 -2.555 -6.500 1.00 0.00 O ATOM 0 H GLY A 43 11.475 -1.164 -5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.950 -1.698 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.132 -2.618 -7.761 1.00 0.00 H new ATOM 556 N LYS A 44 10.175 -4.250 -7.474 1.00 0.00 N ATOM 557 CA LYS A 44 9.134 -5.206 -7.007 1.00 0.00 C ATOM 558 C LYS A 44 8.795 -4.900 -5.553 1.00 0.00 C ATOM 559 O LYS A 44 9.645 -4.955 -4.687 1.00 0.00 O ATOM 560 CB LYS A 44 9.676 -6.631 -7.102 1.00 0.00 C ATOM 561 CG LYS A 44 9.203 -7.270 -8.406 1.00 0.00 C ATOM 562 CD LYS A 44 8.073 -8.258 -8.108 1.00 0.00 C ATOM 563 CE LYS A 44 8.640 -9.473 -7.372 1.00 0.00 C ATOM 564 NZ LYS A 44 8.162 -10.721 -8.033 1.00 0.00 N ATOM 0 H LYS A 44 10.924 -4.663 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 44 8.242 -5.110 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.765 -6.620 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.333 -7.219 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.856 -6.501 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.031 -7.784 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.306 -7.777 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.595 -8.572 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.729 -9.440 -7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.327 -9.458 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.547 -11.548 -7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.123 -10.752 -8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.482 -10.734 -9.022 1.00 0.00 H new ATOM 578 N LEU A 45 7.568 -4.575 -5.267 1.00 0.00 N ATOM 579 CA LEU A 45 7.213 -4.274 -3.867 1.00 0.00 C ATOM 580 C LEU A 45 6.556 -5.509 -3.258 1.00 0.00 C ATOM 581 O LEU A 45 5.356 -5.663 -3.280 1.00 0.00 O ATOM 582 CB LEU A 45 6.278 -3.072 -3.855 1.00 0.00 C ATOM 583 CG LEU A 45 6.969 -1.942 -4.623 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.090 -0.682 -4.639 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.315 -1.647 -3.944 1.00 0.00 C ATOM 0 H LEU A 45 6.805 -4.507 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 45 8.094 -4.028 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.325 -3.324 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.063 -2.764 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 45 7.132 -2.246 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.599 0.109 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.140 -0.907 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.907 -0.353 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.823 -0.844 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.143 -1.345 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.935 -2.543 -3.961 1.00 0.00 H new ATOM 597 N GLU A 46 7.358 -6.403 -2.739 1.00 0.00 N ATOM 598 CA GLU A 46 6.813 -7.666 -2.149 1.00 0.00 C ATOM 599 C GLU A 46 5.885 -7.348 -0.981 1.00 0.00 C ATOM 600 O GLU A 46 6.276 -7.405 0.166 1.00 0.00 O ATOM 601 CB GLU A 46 7.969 -8.535 -1.654 1.00 0.00 C ATOM 602 CG GLU A 46 7.924 -9.892 -2.358 1.00 0.00 C ATOM 603 CD GLU A 46 7.686 -10.994 -1.325 1.00 0.00 C ATOM 604 OE1 GLU A 46 6.668 -10.940 -0.655 1.00 0.00 O ATOM 605 OE2 GLU A 46 8.526 -11.873 -1.220 1.00 0.00 O ATOM 0 H GLU A 46 8.373 -6.313 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 46 6.249 -8.199 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.920 -8.041 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.900 -8.671 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.130 -9.900 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.860 -10.071 -2.887 1.00 0.00 H new ATOM 612 N ALA A 47 4.653 -7.034 -1.255 1.00 0.00 N ATOM 613 CA ALA A 47 3.717 -6.721 -0.149 1.00 0.00 C ATOM 614 C ALA A 47 3.836 -7.784 0.933 1.00 0.00 C ATOM 615 O ALA A 47 3.538 -8.945 0.732 1.00 0.00 O ATOM 616 CB ALA A 47 2.292 -6.664 -0.678 1.00 0.00 C ATOM 0 H ALA A 47 4.256 -6.981 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 47 3.970 -5.750 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.609 -6.434 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.218 -5.890 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.026 -7.628 -1.112 1.00 0.00 H new ATOM 622 N VAL A 48 4.284 -7.375 2.078 1.00 0.00 N ATOM 623 CA VAL A 48 4.453 -8.313 3.214 1.00 0.00 C ATOM 624 C VAL A 48 3.198 -8.266 4.070 1.00 0.00 C ATOM 625 O VAL A 48 2.658 -9.281 4.463 1.00 0.00 O ATOM 626 CB VAL A 48 5.674 -7.850 4.024 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.469 -8.092 5.525 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.907 -8.613 3.547 1.00 0.00 C ATOM 0 H VAL A 48 4.546 -6.410 2.280 1.00 0.00 H new ATOM 0 HA VAL A 48 4.607 -9.336 2.870 1.00 0.00 H new ATOM 0 HB VAL A 48 5.808 -6.779 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.350 -7.754 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.595 -7.538 5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.317 -9.156 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.778 -8.290 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.753 -9.682 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.072 -8.413 2.488 1.00 0.00 H new ATOM 638 N GLN A 49 2.736 -7.094 4.361 1.00 0.00 N ATOM 639 CA GLN A 49 1.512 -6.985 5.196 1.00 0.00 C ATOM 640 C GLN A 49 0.715 -5.771 4.748 1.00 0.00 C ATOM 641 O GLN A 49 1.153 -5.012 3.909 1.00 0.00 O ATOM 642 CB GLN A 49 1.910 -6.841 6.666 1.00 0.00 C ATOM 643 CG GLN A 49 2.486 -8.168 7.165 1.00 0.00 C ATOM 644 CD GLN A 49 2.068 -8.402 8.618 1.00 0.00 C ATOM 645 OE1 GLN A 49 1.516 -9.434 8.945 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.308 -7.480 9.510 1.00 0.00 N ATOM 0 H GLN A 49 3.146 -6.209 4.062 1.00 0.00 H new ATOM 0 HA GLN A 49 0.901 -7.880 5.082 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.647 -6.046 6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.043 -6.560 7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.132 -8.987 6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.573 -8.155 7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.771 -6.614 9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.032 -7.626 10.481 1.00 0.00 H new ATOM 655 N TYR A 50 -0.456 -5.581 5.276 1.00 0.00 N ATOM 656 CA TYR A 50 -1.252 -4.417 4.850 1.00 0.00 C ATOM 657 C TYR A 50 -2.444 -4.207 5.771 1.00 0.00 C ATOM 658 O TYR A 50 -3.129 -5.135 6.154 1.00 0.00 O ATOM 659 CB TYR A 50 -1.743 -4.646 3.447 1.00 0.00 C ATOM 660 CG TYR A 50 -2.855 -5.669 3.438 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.559 -7.026 3.610 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.181 -5.258 3.260 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.591 -7.973 3.603 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.212 -6.204 3.254 1.00 0.00 C ATOM 665 CZ TYR A 50 -4.917 -7.562 3.425 1.00 0.00 C ATOM 666 OH TYR A 50 -5.933 -8.496 3.419 1.00 0.00 O ATOM 0 H TYR A 50 -0.890 -6.179 5.979 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.622 -3.528 4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.100 -3.708 3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.921 -4.988 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.536 -7.343 3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.408 -4.211 3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.363 -9.020 3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.235 -5.887 3.117 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.792 -8.044 3.285 1.00 0.00 H new ATOM 676 N LYS A 51 -2.708 -2.987 6.104 1.00 0.00 N ATOM 677 CA LYS A 51 -3.878 -2.689 6.981 1.00 0.00 C ATOM 678 C LYS A 51 -4.989 -2.066 6.126 1.00 0.00 C ATOM 679 O LYS A 51 -4.757 -1.156 5.353 1.00 0.00 O ATOM 680 CB LYS A 51 -3.470 -1.730 8.105 1.00 0.00 C ATOM 681 CG LYS A 51 -2.999 -2.539 9.317 1.00 0.00 C ATOM 682 CD LYS A 51 -1.702 -1.939 9.864 1.00 0.00 C ATOM 683 CE LYS A 51 -1.849 -1.688 11.367 1.00 0.00 C ATOM 684 NZ LYS A 51 -1.595 -2.956 12.111 1.00 0.00 N ATOM 0 H LYS A 51 -2.167 -2.174 5.810 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.239 -3.611 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.673 -1.069 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.313 -1.097 8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.767 -2.535 10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.838 -3.579 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.869 -2.616 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.475 -1.005 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.147 -0.919 11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.850 -1.318 11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.695 -2.785 13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.282 -3.678 11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.631 -3.290 11.909 1.00 0.00 H new ATOM 698 N THR A 52 -6.188 -2.573 6.240 1.00 0.00 N ATOM 699 CA THR A 52 -7.321 -2.041 5.421 1.00 0.00 C ATOM 700 C THR A 52 -7.928 -0.799 6.076 1.00 0.00 C ATOM 701 O THR A 52 -7.434 -0.290 7.062 1.00 0.00 O ATOM 702 CB THR A 52 -8.402 -3.118 5.301 1.00 0.00 C ATOM 703 OG1 THR A 52 -9.084 -3.240 6.540 1.00 0.00 O ATOM 704 CG2 THR A 52 -7.756 -4.456 4.936 1.00 0.00 C ATOM 0 H THR A 52 -6.434 -3.338 6.869 1.00 0.00 H new ATOM 0 HA THR A 52 -6.942 -1.769 4.436 1.00 0.00 H new ATOM 0 HB THR A 52 -9.111 -2.837 4.522 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.778 -3.928 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.527 -5.221 4.851 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.234 -4.360 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.046 -4.741 5.712 1.00 0.00 H new ATOM 712 N GLN A 53 -9.002 -0.318 5.514 1.00 0.00 N ATOM 713 CA GLN A 53 -9.677 0.892 6.061 1.00 0.00 C ATOM 714 C GLN A 53 -11.076 0.990 5.457 1.00 0.00 C ATOM 715 O GLN A 53 -11.313 0.532 4.358 1.00 0.00 O ATOM 716 CB GLN A 53 -8.901 2.135 5.650 1.00 0.00 C ATOM 717 CG GLN A 53 -8.578 2.987 6.873 1.00 0.00 C ATOM 718 CD GLN A 53 -9.855 3.223 7.681 1.00 0.00 C ATOM 719 OE1 GLN A 53 -10.678 4.040 7.315 1.00 0.00 O ATOM 720 NE2 GLN A 53 -10.056 2.539 8.773 1.00 0.00 N ATOM 0 H GLN A 53 -9.446 -0.718 4.688 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.726 0.820 7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.979 1.846 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.485 2.717 4.937 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.831 2.488 7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.150 3.940 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.366 1.854 9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.904 2.689 9.320 1.00 0.00 H new ATOM 729 N VAL A 54 -12.005 1.585 6.149 1.00 0.00 N ATOM 730 CA VAL A 54 -13.366 1.699 5.574 1.00 0.00 C ATOM 731 C VAL A 54 -13.830 3.165 5.569 1.00 0.00 C ATOM 732 O VAL A 54 -13.605 3.910 6.503 1.00 0.00 O ATOM 733 CB VAL A 54 -14.321 0.813 6.371 1.00 0.00 C ATOM 734 CG1 VAL A 54 -15.088 1.638 7.396 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.307 0.158 5.399 1.00 0.00 C ATOM 0 H VAL A 54 -11.881 1.992 7.076 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.356 1.360 4.538 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.749 0.052 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.763 0.989 7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -14.385 2.108 8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.665 2.408 6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.996 -0.479 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.869 0.931 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.758 -0.445 4.676 1.00 0.00 H new ATOM 745 N VAL A 55 -14.487 3.563 4.516 1.00 0.00 N ATOM 746 CA VAL A 55 -14.996 4.960 4.402 1.00 0.00 C ATOM 747 C VAL A 55 -16.008 4.986 3.253 1.00 0.00 C ATOM 748 O VAL A 55 -17.122 4.520 3.388 1.00 0.00 O ATOM 749 CB VAL A 55 -13.833 5.912 4.096 1.00 0.00 C ATOM 750 CG1 VAL A 55 -13.205 6.400 5.403 1.00 0.00 C ATOM 751 CG2 VAL A 55 -12.774 5.176 3.269 1.00 0.00 C ATOM 0 H VAL A 55 -14.697 2.968 3.714 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.464 5.279 5.333 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.209 6.767 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.379 7.076 5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.955 6.926 5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.832 5.546 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.947 5.852 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.403 4.319 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.217 4.832 2.334 1.00 0.00 H new ATOM 761 N ALA A 56 -15.616 5.476 2.110 1.00 0.00 N ATOM 762 CA ALA A 56 -16.532 5.475 0.941 1.00 0.00 C ATOM 763 C ALA A 56 -16.043 4.371 0.013 1.00 0.00 C ATOM 764 O ALA A 56 -16.148 4.443 -1.196 1.00 0.00 O ATOM 765 CB ALA A 56 -16.456 6.822 0.231 1.00 0.00 C ATOM 0 H ALA A 56 -14.695 5.879 1.937 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.566 5.308 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.129 6.820 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.750 7.614 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.435 6.997 -0.109 1.00 0.00 H new ATOM 771 N GLY A 57 -15.471 3.363 0.603 1.00 0.00 N ATOM 772 CA GLY A 57 -14.906 2.223 -0.164 1.00 0.00 C ATOM 773 C GLY A 57 -13.930 1.514 0.757 1.00 0.00 C ATOM 774 O GLY A 57 -14.315 0.898 1.731 1.00 0.00 O ATOM 0 H GLY A 57 -15.369 3.280 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.696 1.544 -0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.402 2.575 -1.064 1.00 0.00 H new ATOM 778 N THR A 58 -12.671 1.625 0.484 1.00 0.00 N ATOM 779 CA THR A 58 -11.671 0.979 1.386 1.00 0.00 C ATOM 780 C THR A 58 -10.261 1.479 1.081 1.00 0.00 C ATOM 781 O THR A 58 -9.693 1.179 0.049 1.00 0.00 O ATOM 782 CB THR A 58 -11.706 -0.543 1.228 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.054 -0.991 1.237 1.00 0.00 O ATOM 784 CG2 THR A 58 -10.942 -1.185 2.393 1.00 0.00 C ATOM 0 H THR A 58 -12.284 2.128 -0.315 1.00 0.00 H new ATOM 0 HA THR A 58 -11.932 1.244 2.411 1.00 0.00 H new ATOM 0 HB THR A 58 -11.241 -0.826 0.284 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.568 -0.470 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.962 -2.270 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.908 -0.839 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.412 -0.903 3.335 1.00 0.00 H new ATOM 792 N ASN A 59 -9.677 2.212 1.990 1.00 0.00 N ATOM 793 CA ASN A 59 -8.307 2.699 1.788 1.00 0.00 C ATOM 794 C ASN A 59 -7.367 1.514 1.936 1.00 0.00 C ATOM 795 O ASN A 59 -7.786 0.375 1.942 1.00 0.00 O ATOM 796 CB ASN A 59 -8.007 3.733 2.866 1.00 0.00 C ATOM 797 CG ASN A 59 -8.621 5.080 2.484 1.00 0.00 C ATOM 798 OD1 ASN A 59 -8.173 5.729 1.561 1.00 0.00 O ATOM 799 ND2 ASN A 59 -9.639 5.532 3.166 1.00 0.00 N ATOM 0 H ASN A 59 -10.107 2.491 2.872 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.184 3.151 0.804 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.408 3.400 3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.929 3.838 2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.057 6.430 2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.016 4.987 3.942 1.00 0.00 H new ATOM 806 N TYR A 60 -6.109 1.766 2.071 1.00 0.00 N ATOM 807 CA TYR A 60 -5.161 0.635 2.235 1.00 0.00 C ATOM 808 C TYR A 60 -3.894 1.094 2.945 1.00 0.00 C ATOM 809 O TYR A 60 -3.540 2.255 2.952 1.00 0.00 O ATOM 810 CB TYR A 60 -4.737 0.064 0.875 1.00 0.00 C ATOM 811 CG TYR A 60 -5.936 -0.319 0.048 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.640 0.657 -0.659 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.323 -1.660 -0.035 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.736 0.298 -1.446 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.417 -2.022 -0.823 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.126 -1.046 -1.530 1.00 0.00 C ATOM 817 OH TYR A 60 -9.205 -1.409 -2.305 1.00 0.00 O ATOM 0 H TYR A 60 -5.691 2.697 2.076 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.678 -0.126 2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.142 0.802 0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.102 -0.809 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.336 1.692 -0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.776 -2.415 0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.283 1.055 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.716 -3.058 -0.887 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.335 -2.379 -2.250 1.00 0.00 H new ATOM 827 N TYR A 61 -3.198 0.146 3.486 1.00 0.00 N ATOM 828 CA TYR A 61 -1.903 0.396 4.165 1.00 0.00 C ATOM 829 C TYR A 61 -1.078 -0.829 3.836 1.00 0.00 C ATOM 830 O TYR A 61 -1.590 -1.924 3.855 1.00 0.00 O ATOM 831 CB TYR A 61 -2.103 0.521 5.675 1.00 0.00 C ATOM 832 CG TYR A 61 -3.165 1.555 5.954 1.00 0.00 C ATOM 833 CD1 TYR A 61 -3.040 2.846 5.431 1.00 0.00 C ATOM 834 CD2 TYR A 61 -4.277 1.220 6.732 1.00 0.00 C ATOM 835 CE1 TYR A 61 -4.028 3.803 5.688 1.00 0.00 C ATOM 836 CE2 TYR A 61 -5.264 2.176 6.988 1.00 0.00 C ATOM 837 CZ TYR A 61 -5.141 3.468 6.466 1.00 0.00 C ATOM 838 OH TYR A 61 -6.116 4.412 6.719 1.00 0.00 O ATOM 0 H TYR A 61 -3.484 -0.833 3.486 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.429 1.323 3.842 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.397 -0.441 6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.167 0.806 6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.181 3.104 4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.373 0.223 7.135 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.931 4.801 5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.123 1.917 7.590 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.774 5.303 6.498 1.00 0.00 H new ATOM 848 N ILE A 62 0.151 -0.702 3.457 1.00 0.00 N ATOM 849 CA ILE A 62 0.862 -1.939 3.075 1.00 0.00 C ATOM 850 C ILE A 62 2.356 -1.820 3.326 1.00 0.00 C ATOM 851 O ILE A 62 3.019 -0.948 2.799 1.00 0.00 O ATOM 852 CB ILE A 62 0.658 -2.213 1.577 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.831 -2.231 1.186 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.257 -3.579 1.255 1.00 0.00 C ATOM 855 CD1 ILE A 62 -0.978 -1.821 -0.288 1.00 0.00 C ATOM 0 H ILE A 62 0.679 0.168 3.395 1.00 0.00 H new ATOM 0 HA ILE A 62 0.456 -2.749 3.681 1.00 0.00 H new ATOM 0 HB ILE A 62 1.143 -1.413 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.247 -3.227 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.394 -1.548 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.123 -3.794 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.321 -3.575 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.756 -4.345 1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.032 -1.833 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.578 -0.817 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.429 -2.522 -0.917 1.00 0.00 H new ATOM 867 N LYS A 63 2.902 -2.734 4.068 1.00 0.00 N ATOM 868 CA LYS A 63 4.365 -2.716 4.282 1.00 0.00 C ATOM 869 C LYS A 63 4.941 -3.656 3.228 1.00 0.00 C ATOM 870 O LYS A 63 5.011 -4.857 3.424 1.00 0.00 O ATOM 871 CB LYS A 63 4.717 -3.215 5.688 1.00 0.00 C ATOM 872 CG LYS A 63 3.511 -3.076 6.618 1.00 0.00 C ATOM 873 CD LYS A 63 3.985 -3.141 8.071 1.00 0.00 C ATOM 874 CE LYS A 63 3.402 -4.382 8.746 1.00 0.00 C ATOM 875 NZ LYS A 63 4.489 -5.375 8.973 1.00 0.00 N ATOM 0 H LYS A 63 2.399 -3.490 4.533 1.00 0.00 H new ATOM 0 HA LYS A 63 4.769 -1.707 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.032 -4.258 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.558 -2.645 6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.000 -2.131 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.792 -3.871 6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.074 -3.173 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.674 -2.244 8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.938 -4.110 9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.621 -4.817 8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.351 -5.836 9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.466 -6.093 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.409 -4.891 8.962 1.00 0.00 H new ATOM 889 N VAL A 64 5.286 -3.121 2.083 1.00 0.00 N ATOM 890 CA VAL A 64 5.788 -3.948 0.975 1.00 0.00 C ATOM 891 C VAL A 64 7.313 -3.902 0.928 1.00 0.00 C ATOM 892 O VAL A 64 7.911 -2.863 1.103 1.00 0.00 O ATOM 893 CB VAL A 64 5.249 -3.332 -0.307 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.722 -3.359 -0.297 1.00 0.00 C ATOM 895 CG2 VAL A 64 5.731 -1.881 -0.421 1.00 0.00 C ATOM 0 H VAL A 64 5.235 -2.123 1.879 1.00 0.00 H new ATOM 0 HA VAL A 64 5.473 -4.984 1.100 1.00 0.00 H new ATOM 0 HB VAL A 64 5.613 -3.907 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.344 -2.916 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.377 -4.390 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.354 -2.790 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.344 -1.440 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.371 -1.310 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.821 -1.860 -0.439 1.00 0.00 H new ATOM 905 N ARG A 65 7.955 -5.000 0.655 1.00 0.00 N ATOM 906 CA ARG A 65 9.434 -4.957 0.564 1.00 0.00 C ATOM 907 C ARG A 65 9.800 -4.151 -0.651 1.00 0.00 C ATOM 908 O ARG A 65 9.203 -4.265 -1.698 1.00 0.00 O ATOM 909 CB ARG A 65 10.022 -6.351 0.434 1.00 0.00 C ATOM 910 CG ARG A 65 11.546 -6.253 0.343 1.00 0.00 C ATOM 911 CD ARG A 65 12.177 -7.522 0.921 1.00 0.00 C ATOM 912 NE ARG A 65 12.497 -8.463 -0.188 1.00 0.00 N ATOM 913 CZ ARG A 65 12.722 -9.721 0.066 1.00 0.00 C ATOM 914 NH1 ARG A 65 13.234 -10.076 1.213 1.00 0.00 N ATOM 915 NH2 ARG A 65 12.437 -10.626 -0.831 1.00 0.00 N ATOM 0 H ARG A 65 7.527 -5.911 0.493 1.00 0.00 H new ATOM 0 HA ARG A 65 9.835 -4.508 1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.736 -6.960 1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.625 -6.844 -0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.851 -6.124 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.898 -5.378 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.083 -7.272 1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.493 -7.993 1.627 1.00 0.00 H new ATOM 0 HE ARG A 65 12.540 -8.122 -1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.459 -9.368 1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.409 -11.061 1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.039 -10.347 -1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.612 -11.611 -0.635 1.00 0.00 H new ATOM 929 N ALA A 66 10.781 -3.337 -0.501 1.00 0.00 N ATOM 930 CA ALA A 66 11.233 -2.478 -1.624 1.00 0.00 C ATOM 931 C ALA A 66 12.262 -3.245 -2.429 1.00 0.00 C ATOM 932 O ALA A 66 13.319 -2.752 -2.768 1.00 0.00 O ATOM 933 CB ALA A 66 11.850 -1.209 -1.061 1.00 0.00 C ATOM 0 H ALA A 66 11.306 -3.221 0.366 1.00 0.00 H new ATOM 0 HA ALA A 66 10.393 -2.209 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.185 -0.573 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.107 -0.676 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.701 -1.467 -0.431 1.00 0.00 H new ATOM 939 N GLY A 67 11.949 -4.463 -2.717 1.00 0.00 N ATOM 940 CA GLY A 67 12.888 -5.323 -3.489 1.00 0.00 C ATOM 941 C GLY A 67 13.980 -5.829 -2.547 1.00 0.00 C ATOM 942 O GLY A 67 13.955 -6.958 -2.100 1.00 0.00 O ATOM 0 H GLY A 67 11.073 -4.913 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.353 -6.163 -3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.330 -4.758 -4.310 1.00 0.00 H new ATOM 946 N ASP A 68 14.939 -4.998 -2.237 1.00 0.00 N ATOM 947 CA ASP A 68 16.025 -5.421 -1.322 1.00 0.00 C ATOM 948 C ASP A 68 15.425 -5.786 0.038 1.00 0.00 C ATOM 949 O ASP A 68 14.263 -6.122 0.144 1.00 0.00 O ATOM 950 CB ASP A 68 17.023 -4.272 -1.148 1.00 0.00 C ATOM 951 CG ASP A 68 18.448 -4.828 -1.129 1.00 0.00 C ATOM 952 OD1 ASP A 68 18.596 -6.032 -1.252 1.00 0.00 O ATOM 953 OD2 ASP A 68 19.368 -4.037 -0.991 1.00 0.00 O ATOM 0 H ASP A 68 15.012 -4.041 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 68 16.539 -6.287 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.913 -3.555 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.818 -3.737 -0.221 1.00 0.00 H new ATOM 958 N ASN A 92 16.205 -5.712 1.081 1.00 0.00 N ATOM 959 CA ASN A 92 15.673 -6.046 2.430 1.00 0.00 C ATOM 960 C ASN A 92 14.956 -4.822 3.011 1.00 0.00 C ATOM 961 O ASN A 92 14.378 -4.879 4.078 1.00 0.00 O ATOM 962 CB ASN A 92 16.825 -6.452 3.351 1.00 0.00 C ATOM 963 CG ASN A 92 17.307 -7.856 2.976 1.00 0.00 C ATOM 964 OD1 ASN A 92 17.869 -8.055 1.917 1.00 0.00 O ATOM 965 ND2 ASN A 92 17.111 -8.844 3.806 1.00 0.00 N ATOM 0 H ASN A 92 17.186 -5.435 1.057 1.00 0.00 H new ATOM 0 HA ASN A 92 14.970 -6.875 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.644 -5.739 3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.498 -6.434 4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 92 17.429 -9.783 3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 92 16.639 -8.677 4.695 1.00 0.00 H new ATOM 972 N LYS A 93 14.984 -3.716 2.315 1.00 0.00 N ATOM 973 CA LYS A 93 14.297 -2.496 2.828 1.00 0.00 C ATOM 974 C LYS A 93 12.787 -2.653 2.642 1.00 0.00 C ATOM 975 O LYS A 93 12.318 -3.645 2.119 1.00 0.00 O ATOM 976 CB LYS A 93 14.783 -1.268 2.050 1.00 0.00 C ATOM 977 CG LYS A 93 14.779 -0.046 2.971 1.00 0.00 C ATOM 978 CD LYS A 93 16.206 0.251 3.436 1.00 0.00 C ATOM 979 CE LYS A 93 16.924 1.086 2.375 1.00 0.00 C ATOM 980 NZ LYS A 93 16.288 2.432 2.291 1.00 0.00 N ATOM 0 H LYS A 93 15.452 -3.605 1.415 1.00 0.00 H new ATOM 0 HA LYS A 93 14.525 -2.366 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.787 -1.443 1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.138 -1.090 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.370 0.817 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.136 -0.229 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.187 0.787 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.745 -0.681 3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.980 1.185 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.873 0.587 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.833 2.544 1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.573 2.526 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.014 3.167 2.411 1.00 0.00 H new ATOM 994 N TYR A 94 12.017 -1.687 3.065 1.00 0.00 N ATOM 995 CA TYR A 94 10.542 -1.794 2.908 1.00 0.00 C ATOM 996 C TYR A 94 9.940 -0.397 2.770 1.00 0.00 C ATOM 997 O TYR A 94 10.581 0.596 3.050 1.00 0.00 O ATOM 998 CB TYR A 94 9.948 -2.480 4.139 1.00 0.00 C ATOM 999 CG TYR A 94 10.099 -3.973 4.000 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.322 -4.583 4.299 1.00 0.00 C ATOM 1001 CD2 TYR A 94 9.017 -4.747 3.566 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.465 -5.967 4.164 1.00 0.00 C ATOM 1003 CE2 TYR A 94 9.159 -6.132 3.432 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.382 -6.743 3.731 1.00 0.00 C ATOM 1005 OH TYR A 94 10.523 -8.109 3.598 1.00 0.00 O ATOM 0 H TYR A 94 12.347 -0.831 3.511 1.00 0.00 H new ATOM 0 HA TYR A 94 10.315 -2.379 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.453 -2.134 5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 94 8.895 -2.218 4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 94 12.156 -3.984 4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.073 -4.275 3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.410 -6.438 4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.324 -6.730 3.098 1.00 0.00 H new ATOM 0 HH TYR A 94 10.004 -8.561 4.295 1.00 0.00 H new ATOM 1015 N MET A 95 8.713 -0.313 2.347 1.00 0.00 N ATOM 1016 CA MET A 95 8.066 1.013 2.198 1.00 0.00 C ATOM 1017 C MET A 95 6.582 0.872 2.520 1.00 0.00 C ATOM 1018 O MET A 95 5.888 0.051 1.949 1.00 0.00 O ATOM 1019 CB MET A 95 8.234 1.511 0.759 1.00 0.00 C ATOM 1020 CG MET A 95 8.034 3.027 0.716 1.00 0.00 C ATOM 1021 SD MET A 95 6.627 3.422 -0.352 1.00 0.00 S ATOM 1022 CE MET A 95 7.346 4.879 -1.152 1.00 0.00 C ATOM 0 H MET A 95 8.129 -1.111 2.097 1.00 0.00 H new ATOM 0 HA MET A 95 8.528 1.729 2.877 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.226 1.254 0.388 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.512 1.020 0.106 1.00 0.00 H new ATOM 0 HG2 MET A 95 7.859 3.410 1.721 1.00 0.00 H new ATOM 0 HG3 MET A 95 8.935 3.513 0.342 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.177 4.824 -2.227 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.877 5.780 -0.756 1.00 0.00 H new ATOM 0 HE3 MET A 95 8.418 4.911 -0.955 1.00 0.00 H new ATOM 1032 N HIS A 96 6.084 1.666 3.423 1.00 0.00 N ATOM 1033 CA HIS A 96 4.638 1.571 3.759 1.00 0.00 C ATOM 1034 C HIS A 96 3.853 2.202 2.623 1.00 0.00 C ATOM 1035 O HIS A 96 4.346 3.068 1.928 1.00 0.00 O ATOM 1036 CB HIS A 96 4.347 2.308 5.061 1.00 0.00 C ATOM 1037 CG HIS A 96 4.388 1.334 6.196 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.671 1.719 7.494 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.207 -0.022 6.234 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.658 0.613 8.256 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.389 -0.481 7.536 1.00 0.00 N ATOM 0 H HIS A 96 6.610 2.371 3.939 1.00 0.00 H new ATOM 0 HA HIS A 96 4.352 0.527 3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.081 3.099 5.217 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.369 2.786 5.012 1.00 0.00 H new ATOM 0 HD1 HIS A 96 4.856 2.670 7.814 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.961 -0.641 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.842 0.608 9.320 1.00 0.00 H new ATOM 1049 N LEU A 97 2.655 1.764 2.398 1.00 0.00 N ATOM 1050 CA LEU A 97 1.887 2.338 1.265 1.00 0.00 C ATOM 1051 C LEU A 97 0.431 2.583 1.634 1.00 0.00 C ATOM 1052 O LEU A 97 -0.237 1.733 2.180 1.00 0.00 O ATOM 1053 CB LEU A 97 1.930 1.353 0.115 1.00 0.00 C ATOM 1054 CG LEU A 97 1.172 1.944 -1.055 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.062 2.963 -1.758 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.817 0.829 -2.021 1.00 0.00 C ATOM 0 H LEU A 97 2.177 1.044 2.939 1.00 0.00 H new ATOM 0 HA LEU A 97 2.336 3.294 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.962 1.147 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.485 0.404 0.413 1.00 0.00 H new ATOM 0 HG LEU A 97 0.262 2.433 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.524 3.394 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.333 3.754 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.966 2.471 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.270 1.242 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.730 0.351 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.195 0.092 -1.513 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.070 3.735 1.295 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.493 4.053 1.575 1.00 0.00 C ATOM 1070 C LYS A 98 -2.220 4.232 0.239 1.00 0.00 C ATOM 1071 O LYS A 98 -1.822 5.021 -0.590 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.579 5.349 2.386 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.794 5.297 3.315 1.00 0.00 C ATOM 1074 CD LYS A 98 -3.850 6.290 2.826 1.00 0.00 C ATOM 1075 CE LYS A 98 -4.510 6.984 4.021 1.00 0.00 C ATOM 1076 NZ LYS A 98 -3.497 7.801 4.747 1.00 0.00 N ATOM 0 H LYS A 98 0.453 4.478 0.831 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.953 3.247 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.669 5.485 2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.658 6.204 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.208 4.289 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.496 5.539 4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.389 7.032 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.604 5.770 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.327 7.619 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.942 6.242 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.548 7.593 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.547 7.569 4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.688 8.811 4.590 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.270 3.499 0.006 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.991 3.636 -1.283 1.00 0.00 C ATOM 1092 C VAL A 99 -5.484 3.828 -0.993 1.00 0.00 C ATOM 1093 O VAL A 99 -5.944 3.579 0.104 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.789 2.344 -2.097 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -5.003 2.093 -2.984 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.562 2.453 -2.997 1.00 0.00 C ATOM 0 H VAL A 99 -3.658 2.812 0.653 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.613 4.490 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.654 1.525 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.852 1.178 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.893 1.990 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.133 2.931 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.441 1.528 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.691 3.286 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.676 2.623 -2.385 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.258 4.234 -1.970 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.712 4.377 -1.721 1.00 0.00 C ATOM 1108 C PHE A 100 -8.483 3.679 -2.837 1.00 0.00 C ATOM 1109 O PHE A 100 -8.168 3.819 -4.006 1.00 0.00 O ATOM 1110 CB PHE A 100 -8.114 5.849 -1.673 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.575 5.955 -1.317 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -10.140 5.067 -0.396 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -10.365 6.938 -1.922 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.498 5.161 -0.079 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.725 7.034 -1.603 1.00 0.00 C ATOM 1116 CZ PHE A 100 -12.291 6.145 -0.681 1.00 0.00 C ATOM 0 H PHE A 100 -5.945 4.468 -2.912 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.947 3.922 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.509 6.379 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.928 6.320 -2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.527 4.309 0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.927 7.622 -2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.936 4.474 0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.337 7.793 -2.068 1.00 0.00 H new ATOM 0 HZ PHE A 100 -13.340 6.219 -0.434 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.501 2.938 -2.488 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.311 2.255 -3.528 1.00 0.00 C ATOM 1128 C LYS A 101 -11.592 3.035 -3.701 1.00 0.00 C ATOM 1129 O LYS A 101 -12.461 3.043 -2.851 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.667 0.843 -3.109 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.585 -0.087 -4.323 1.00 0.00 C ATOM 1132 CD LYS A 101 -11.898 -0.862 -4.465 1.00 0.00 C ATOM 1133 CE LYS A 101 -11.751 -1.930 -5.552 1.00 0.00 C ATOM 1134 NZ LYS A 101 -13.088 -2.516 -5.858 1.00 0.00 N ATOM 0 H LYS A 101 -9.803 2.779 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.735 2.207 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.986 0.501 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.672 0.820 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.394 0.493 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.752 -0.781 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.160 -1.329 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.709 -0.179 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.320 -1.491 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.067 -2.711 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.988 -3.242 -6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.482 -2.949 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.727 -1.767 -6.193 1.00 0.00 H new ATOM 1257 N LEU A 108 -7.476 2.177 -8.216 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.109 2.703 -6.869 1.00 0.00 C ATOM 1259 C LEU A 108 -6.204 3.907 -6.989 1.00 0.00 C ATOM 1260 O LEU A 108 -5.988 4.455 -8.052 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.372 1.621 -6.091 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.383 0.735 -5.383 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.341 0.152 -6.416 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.638 -0.393 -4.672 1.00 0.00 C ATOM 0 HA LEU A 108 -8.024 2.994 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.759 1.025 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.697 2.075 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.948 1.314 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.071 -0.486 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.859 0.962 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.780 -0.438 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.354 -1.036 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.082 -0.980 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.945 0.030 -3.944 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.713 4.337 -5.874 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.849 5.539 -5.847 1.00 0.00 C ATOM 1278 C VAL A 109 -3.769 5.397 -4.778 1.00 0.00 C ATOM 1279 O VAL A 109 -3.866 4.578 -3.888 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.744 6.687 -5.454 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.320 6.366 -4.100 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.952 7.992 -5.380 1.00 0.00 C ATOM 0 H VAL A 109 -5.874 3.902 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.368 5.686 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.532 6.817 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.975 7.177 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.891 5.439 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.511 6.249 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.618 8.806 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.159 7.895 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.513 8.207 -6.354 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.761 6.218 -4.840 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.700 6.189 -3.838 1.00 0.00 C ATOM 1294 C LEU A 110 -1.961 7.367 -2.890 1.00 0.00 C ATOM 1295 O LEU A 110 -1.489 8.466 -3.097 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.389 6.365 -4.590 1.00 0.00 C ATOM 1297 CG LEU A 110 0.681 6.839 -3.644 1.00 0.00 C ATOM 1298 CD1 LEU A 110 0.795 5.841 -2.495 1.00 0.00 C ATOM 1299 CD2 LEU A 110 1.989 6.922 -4.415 1.00 0.00 C ATOM 0 H LEU A 110 -2.639 6.921 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.664 5.264 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.091 5.421 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.517 7.084 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 110 0.441 7.820 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.567 6.172 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.159 5.777 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.058 4.860 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.782 7.264 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.243 5.937 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.880 7.624 -5.241 1.00 0.00 H new ATOM 1311 N THR A 111 -2.764 7.162 -1.884 1.00 0.00 N ATOM 1312 CA THR A 111 -3.102 8.289 -0.963 1.00 0.00 C ATOM 1313 C THR A 111 -1.902 8.691 -0.098 1.00 0.00 C ATOM 1314 O THR A 111 -1.771 9.836 0.287 1.00 0.00 O ATOM 1315 CB THR A 111 -4.273 7.874 -0.074 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.126 6.509 0.292 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.579 8.057 -0.850 1.00 0.00 C ATOM 0 H THR A 111 -3.200 6.268 -1.658 1.00 0.00 H new ATOM 0 HA THR A 111 -3.377 9.156 -1.564 1.00 0.00 H new ATOM 0 HB THR A 111 -4.291 8.490 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.001 6.068 0.269 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.420 7.763 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.689 9.103 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.560 7.436 -1.745 1.00 0.00 H new ATOM 1325 N GLY A 112 -1.025 7.779 0.216 1.00 0.00 N ATOM 1326 CA GLY A 112 0.153 8.148 1.057 1.00 0.00 C ATOM 1327 C GLY A 112 1.198 7.038 1.001 1.00 0.00 C ATOM 1328 O GLY A 112 1.176 6.203 0.125 1.00 0.00 O ATOM 0 H GLY A 112 -1.070 6.801 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.585 9.084 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.162 8.312 2.088 1.00 0.00 H new ATOM 1332 N TYR A 113 2.119 7.029 1.924 1.00 0.00 N ATOM 1333 CA TYR A 113 3.166 5.990 1.920 1.00 0.00 C ATOM 1334 C TYR A 113 4.291 6.408 2.865 1.00 0.00 C ATOM 1335 O TYR A 113 4.761 7.528 2.825 1.00 0.00 O ATOM 1336 CB TYR A 113 3.747 5.859 0.521 1.00 0.00 C ATOM 1337 CG TYR A 113 4.073 7.231 -0.025 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.269 7.859 0.341 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.184 7.873 -0.897 1.00 0.00 C ATOM 1340 CE1 TYR A 113 5.576 9.128 -0.161 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.492 9.143 -1.399 1.00 0.00 C ATOM 1342 CZ TYR A 113 4.689 9.771 -1.031 1.00 0.00 C ATOM 1343 OH TYR A 113 4.996 11.022 -1.529 1.00 0.00 O ATOM 0 H TYR A 113 2.185 7.706 2.684 1.00 0.00 H new ATOM 0 HA TYR A 113 2.732 5.042 2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.646 5.244 0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.035 5.356 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.955 7.363 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.262 7.388 -1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 113 6.499 9.612 0.123 1.00 0.00 H new ATOM 0 HE2 TYR A 113 2.807 9.639 -2.070 1.00 0.00 H new ATOM 0 HH TYR A 113 5.950 11.061 -1.749 1.00 0.00 H new ATOM 1353 N GLN A 114 4.764 5.516 3.682 1.00 0.00 N ATOM 1354 CA GLN A 114 5.897 5.876 4.576 1.00 0.00 C ATOM 1355 C GLN A 114 7.159 5.372 3.893 1.00 0.00 C ATOM 1356 O GLN A 114 7.439 4.196 3.880 1.00 0.00 O ATOM 1357 CB GLN A 114 5.748 5.212 5.949 1.00 0.00 C ATOM 1358 CG GLN A 114 4.270 4.988 6.268 1.00 0.00 C ATOM 1359 CD GLN A 114 3.601 6.330 6.565 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.147 7.374 6.267 1.00 0.00 O ATOM 1361 NE2 GLN A 114 2.433 6.346 7.146 1.00 0.00 N ATOM 0 H GLN A 114 4.420 4.560 3.771 1.00 0.00 H new ATOM 0 HA GLN A 114 5.928 6.953 4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.279 4.260 5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.202 5.839 6.716 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.776 4.502 5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.169 4.322 7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.976 5.469 7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.977 7.235 7.350 1.00 0.00 H new ATOM 1370 N VAL A 115 7.900 6.234 3.275 1.00 0.00 N ATOM 1371 CA VAL A 115 9.097 5.769 2.551 1.00 0.00 C ATOM 1372 C VAL A 115 10.164 5.258 3.513 1.00 0.00 C ATOM 1373 O VAL A 115 10.187 5.584 4.684 1.00 0.00 O ATOM 1374 CB VAL A 115 9.635 6.920 1.716 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.626 7.743 2.525 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.321 6.366 0.480 1.00 0.00 C ATOM 0 H VAL A 115 7.728 7.239 3.240 1.00 0.00 H new ATOM 0 HA VAL A 115 8.824 4.936 1.904 1.00 0.00 H new ATOM 0 HB VAL A 115 8.806 7.563 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.002 8.563 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.129 8.146 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.458 7.110 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.708 7.189 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.144 5.718 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 115 9.604 5.793 -0.108 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.050 4.463 2.999 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.147 3.910 3.837 1.00 0.00 C ATOM 1388 C ASP A 115A 11.579 3.329 5.138 1.00 0.00 C ATOM 1389 O ASP A 115A 12.229 3.339 6.163 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.133 5.031 4.161 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.517 4.438 4.434 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.580 3.283 4.822 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.491 5.151 4.253 1.00 0.00 O ATOM 0 H ASP A 115A 11.064 4.167 2.023 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.654 3.113 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.185 5.734 3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.789 5.591 5.030 1.00 0.00 H new ATOM 1398 N LYS A 116 10.376 2.813 5.108 1.00 0.00 N ATOM 1399 CA LYS A 116 9.791 2.231 6.337 1.00 0.00 C ATOM 1400 C LYS A 116 10.075 0.725 6.352 1.00 0.00 C ATOM 1401 O LYS A 116 9.598 -0.012 5.513 1.00 0.00 O ATOM 1402 CB LYS A 116 8.284 2.487 6.340 1.00 0.00 C ATOM 1403 CG LYS A 116 7.937 3.432 7.485 1.00 0.00 C ATOM 1404 CD LYS A 116 8.604 4.787 7.248 1.00 0.00 C ATOM 1405 CE LYS A 116 8.799 5.503 8.586 1.00 0.00 C ATOM 1406 NZ LYS A 116 9.987 6.398 8.502 1.00 0.00 N ATOM 0 H LYS A 116 9.780 2.773 4.282 1.00 0.00 H new ATOM 0 HA LYS A 116 10.230 2.688 7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.975 2.920 5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.744 1.547 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.856 3.554 7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.272 3.011 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.566 4.649 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 116 7.989 5.395 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.910 6.083 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.936 4.774 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.120 6.885 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.833 5.833 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.839 7.102 7.751 1.00 0.00 H new ATOM 1420 N ASN A 117 10.862 0.268 7.288 1.00 0.00 N ATOM 1421 CA ASN A 117 11.194 -1.187 7.342 1.00 0.00 C ATOM 1422 C ASN A 117 9.958 -1.992 7.737 1.00 0.00 C ATOM 1423 O ASN A 117 8.854 -1.486 7.766 1.00 0.00 O ATOM 1424 CB ASN A 117 12.301 -1.422 8.372 1.00 0.00 C ATOM 1425 CG ASN A 117 13.601 -0.785 7.879 1.00 0.00 C ATOM 1426 OD1 ASN A 117 14.467 -1.465 7.366 1.00 0.00 O ATOM 1427 ND2 ASN A 117 13.776 0.501 8.012 1.00 0.00 N ATOM 0 H ASN A 117 11.290 0.838 8.018 1.00 0.00 H new ATOM 0 HA ASN A 117 11.533 -1.510 6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.015 -0.994 9.333 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.444 -2.491 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.639 0.935 7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.049 1.073 8.443 1.00 0.00 H new ATOM 1434 N LYS A 118 10.139 -3.249 8.037 1.00 0.00 N ATOM 1435 CA LYS A 118 8.983 -4.103 8.426 1.00 0.00 C ATOM 1436 C LYS A 118 8.566 -3.773 9.861 1.00 0.00 C ATOM 1437 O LYS A 118 7.397 -3.639 10.163 1.00 0.00 O ATOM 1438 CB LYS A 118 9.393 -5.575 8.339 1.00 0.00 C ATOM 1439 CG LYS A 118 8.151 -6.463 8.429 1.00 0.00 C ATOM 1440 CD LYS A 118 8.281 -7.396 9.634 1.00 0.00 C ATOM 1441 CE LYS A 118 8.740 -8.777 9.164 1.00 0.00 C ATOM 1442 NZ LYS A 118 10.227 -8.807 9.092 1.00 0.00 N ATOM 0 H LYS A 118 11.042 -3.723 8.029 1.00 0.00 H new ATOM 0 HA LYS A 118 8.146 -3.916 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 118 9.918 -5.761 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 118 10.085 -5.818 9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.257 -5.848 8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.039 -7.045 7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.996 -6.987 10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 118 7.324 -7.475 10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.383 -9.544 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.313 -9.001 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.540 -9.746 8.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.557 -8.085 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.624 -8.611 10.033 1.00 0.00 H new ATOM 1456 N ASP A 119 9.515 -3.643 10.745 1.00 0.00 N ATOM 1457 CA ASP A 119 9.180 -3.324 12.162 1.00 0.00 C ATOM 1458 C ASP A 119 8.246 -2.114 12.211 1.00 0.00 C ATOM 1459 O ASP A 119 7.552 -1.895 13.184 1.00 0.00 O ATOM 1460 CB ASP A 119 10.467 -2.998 12.923 1.00 0.00 C ATOM 1461 CG ASP A 119 10.359 -3.518 14.357 1.00 0.00 C ATOM 1462 OD1 ASP A 119 9.254 -3.545 14.875 1.00 0.00 O ATOM 1463 OD2 ASP A 119 11.382 -3.879 14.912 1.00 0.00 O ATOM 0 H ASP A 119 10.511 -3.744 10.548 1.00 0.00 H new ATOM 0 HA ASP A 119 8.686 -4.181 12.619 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.322 -3.453 12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.636 -1.921 12.927 1.00 0.00 H new ATOM 1468 N ASP A 120 8.226 -1.321 11.176 1.00 0.00 N ATOM 1469 CA ASP A 120 7.342 -0.125 11.181 1.00 0.00 C ATOM 1470 C ASP A 120 5.889 -0.549 11.013 1.00 0.00 C ATOM 1471 O ASP A 120 5.534 -1.244 10.082 1.00 0.00 O ATOM 1472 CB ASP A 120 7.713 0.807 10.030 1.00 0.00 C ATOM 1473 CG ASP A 120 7.662 2.257 10.515 1.00 0.00 C ATOM 1474 OD1 ASP A 120 6.570 2.796 10.598 1.00 0.00 O ATOM 1475 OD2 ASP A 120 8.715 2.805 10.795 1.00 0.00 O ATOM 0 H ASP A 120 8.782 -1.450 10.330 1.00 0.00 H new ATOM 0 HA ASP A 120 7.470 0.392 12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.711 0.570 9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.025 0.666 9.197 1.00 0.00 H new ATOM 1480 N GLU A 121 5.045 -0.108 11.893 1.00 0.00 N ATOM 1481 CA GLU A 121 3.607 -0.447 11.779 1.00 0.00 C ATOM 1482 C GLU A 121 2.924 0.685 11.016 1.00 0.00 C ATOM 1483 O GLU A 121 3.185 1.846 11.257 1.00 0.00 O ATOM 1484 CB GLU A 121 3.001 -0.575 13.179 1.00 0.00 C ATOM 1485 CG GLU A 121 1.670 -1.323 13.099 1.00 0.00 C ATOM 1486 CD GLU A 121 0.954 -1.234 14.449 1.00 0.00 C ATOM 1487 OE1 GLU A 121 1.402 -1.884 15.378 1.00 0.00 O ATOM 1488 OE2 GLU A 121 -0.031 -0.518 14.529 1.00 0.00 O ATOM 0 H GLU A 121 5.290 0.477 12.692 1.00 0.00 H new ATOM 0 HA GLU A 121 3.471 -1.393 11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.689 -1.107 13.836 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.848 0.414 13.611 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.046 -0.894 12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.842 -2.366 12.834 1.00 0.00 H new ATOM 1495 N LEU A 122 2.069 0.370 10.089 1.00 0.00 N ATOM 1496 CA LEU A 122 1.394 1.449 9.318 1.00 0.00 C ATOM 1497 C LEU A 122 0.529 2.259 10.270 1.00 0.00 C ATOM 1498 O LEU A 122 0.368 3.454 10.122 1.00 0.00 O ATOM 1499 CB LEU A 122 0.559 0.826 8.213 1.00 0.00 C ATOM 1500 CG LEU A 122 1.449 -0.187 7.520 1.00 0.00 C ATOM 1501 CD1 LEU A 122 0.993 -1.582 7.872 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.407 -0.004 6.010 1.00 0.00 C ATOM 0 H LEU A 122 1.808 -0.582 9.831 1.00 0.00 H new ATOM 0 HA LEU A 122 2.127 2.113 8.859 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.330 0.346 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.216 1.586 7.511 1.00 0.00 H new ATOM 0 HG LEU A 122 2.474 -0.035 7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.633 -2.310 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.054 -1.723 8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.038 -1.721 7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.054 -0.742 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.385 -0.136 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.753 0.998 5.755 1.00 0.00 H new ATOM 1514 N THR A 123 0.002 1.615 11.272 1.00 0.00 N ATOM 1515 CA THR A 123 -0.821 2.343 12.271 1.00 0.00 C ATOM 1516 C THR A 123 -1.761 3.297 11.544 1.00 0.00 C ATOM 1517 O THR A 123 -2.019 3.153 10.366 1.00 0.00 O ATOM 1518 CB THR A 123 0.106 3.143 13.210 1.00 0.00 C ATOM 1519 OG1 THR A 123 0.009 4.531 12.924 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.559 2.704 13.014 1.00 0.00 C ATOM 0 H THR A 123 0.107 0.615 11.441 1.00 0.00 H new ATOM 0 HA THR A 123 -1.404 1.634 12.858 1.00 0.00 H new ATOM 0 HB THR A 123 -0.201 2.955 14.239 1.00 0.00 H new ATOM 0 HG1 THR A 123 0.599 5.031 13.526 1.00 0.00 H new ATOM 0 HG21 THR A 123 2.205 3.275 13.681 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.652 1.642 13.240 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.857 2.882 11.981 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.262 4.276 12.234 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.174 5.252 11.577 1.00 0.00 C ATOM 1530 C GLY A 124 -2.397 5.969 10.474 1.00 0.00 C ATOM 1531 O GLY A 124 -1.787 6.997 10.695 1.00 0.00 O ATOM 0 H GLY A 124 -2.082 4.445 13.224 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.041 4.740 11.159 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.549 5.971 12.306 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.406 5.426 9.290 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.659 6.061 8.168 1.00 0.00 C ATOM 1537 C PHE A 125 -2.127 7.507 7.998 1.00 0.00 C ATOM 1538 O PHE A 125 -1.281 8.363 7.798 1.00 0.00 O ATOM 1539 CB PHE A 125 -1.932 5.276 6.884 1.00 0.00 C ATOM 1540 CG PHE A 125 -0.661 5.147 6.081 1.00 0.00 C ATOM 1541 CD1 PHE A 125 -0.034 6.291 5.574 1.00 0.00 C ATOM 1542 CD2 PHE A 125 -0.110 3.881 5.840 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.141 6.169 4.826 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.068 3.761 5.092 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.690 4.909 4.586 1.00 0.00 C ATOM 1546 OXT PHE A 125 -3.323 7.735 8.076 1.00 0.00 O ATOM 0 H PHE A 125 -2.900 4.567 9.049 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.590 6.054 8.382 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -2.320 4.287 7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.696 5.782 6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -0.457 7.267 5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.594 2.998 6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.624 7.051 4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.495 2.787 4.906 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.598 4.819 4.008 1.00 0.00 H new