USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 764 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 81 HIS : no HE2:sc= -8.61! C(o=-22!,f=-24!) USER MOD Set 1.2: A 88 HIS :FLIP no HE2:sc= -13.7! C(o=-24!,f=-22!) USER MOD Set 2.1: A 66 ASN : amide:sc= -2.99 X(o=-4.3,f=-4.3) USER MOD Set 2.2: A 87 SER OG : rot -51:sc= -1.3 USER MOD Set 3.1: A 43 SER OG : rot 170:sc= -4.41! USER MOD Set 3.2: A 52 HIS : no HE2:sc= -14.1! C(o=-18!,f=-24!) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -1 USER MOD Single : A 12 SER OG : rot 180:sc= -1.34 USER MOD Single : A 19 GLN : amide:sc= -0.0816 K(o=-0.082,f=-0.84) USER MOD Single : A 23 ASN : amide:sc= -16.4! C(o=-16!,f=-24!) USER MOD Single : A 25 THR OG1 : rot 7:sc= -0.0123! USER MOD Single : A 33 SER OG : rot -76:sc= 0.386 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0768 USER MOD Single : A 47 THR OG1 : rot -23:sc= 0.395 USER MOD Single : A 48 GLN : amide:sc= -0.052 X(o=-0.052,f=0) USER MOD Single : A 53 TYR OH : rot -146:sc= -2.12! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -4.58 X(o=-4.6,f=-5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.35) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 96 CYS SG : rot 180:sc= -1.06 USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 6.025 1.898 4.980 1.00 0.00 N ATOM 30 CA PRO A 3 4.602 1.809 4.652 1.00 0.00 C ATOM 31 C PRO A 3 3.695 1.881 5.880 1.00 0.00 C ATOM 32 O PRO A 3 2.653 2.531 5.855 1.00 0.00 O ATOM 33 CB PRO A 3 4.503 0.408 4.046 1.00 0.00 C ATOM 34 CG PRO A 3 5.528 -0.396 4.778 1.00 0.00 C ATOM 35 CD PRO A 3 6.607 0.565 5.228 1.00 0.00 C ATOM 0 HA PRO A 3 4.282 2.630 4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.505 -0.010 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.704 0.425 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.082 -0.902 5.634 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.945 -1.169 4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.851 0.426 6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.529 0.421 4.665 1.00 0.00 H new ATOM 43 N TRP A 4 4.079 1.170 6.939 1.00 0.00 N ATOM 44 CA TRP A 4 3.282 1.108 8.160 1.00 0.00 C ATOM 45 C TRP A 4 2.177 0.072 7.977 1.00 0.00 C ATOM 46 O TRP A 4 1.066 0.394 7.554 1.00 0.00 O ATOM 47 CB TRP A 4 2.684 2.477 8.512 1.00 0.00 C ATOM 48 CG TRP A 4 2.876 2.854 9.950 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.742 3.786 10.444 1.00 0.00 C ATOM 50 CD2 TRP A 4 2.186 2.307 11.079 1.00 0.00 C ATOM 51 NE1 TRP A 4 3.634 3.852 11.812 1.00 0.00 N ATOM 52 CE2 TRP A 4 2.686 2.954 12.227 1.00 0.00 C ATOM 53 CE3 TRP A 4 1.195 1.334 11.234 1.00 0.00 C ATOM 54 CZ2 TRP A 4 2.227 2.659 13.508 1.00 0.00 C ATOM 55 CZ3 TRP A 4 0.741 1.041 12.506 1.00 0.00 C ATOM 56 CH2 TRP A 4 1.256 1.702 13.628 1.00 0.00 C ATOM 0 H TRP A 4 4.942 0.627 6.974 1.00 0.00 H new ATOM 0 HA TRP A 4 3.928 0.817 8.988 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.140 3.239 7.880 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.618 2.470 8.284 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.414 4.384 9.847 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.172 4.469 12.420 1.00 0.00 H new ATOM 0 HE3 TRP A 4 0.791 0.820 10.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 2.623 3.167 14.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.024 0.290 12.637 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.879 1.451 14.609 1.00 0.00 H new ATOM 67 N PHE A 5 2.509 -1.181 8.263 1.00 0.00 N ATOM 68 CA PHE A 5 1.566 -2.281 8.104 1.00 0.00 C ATOM 69 C PHE A 5 0.451 -2.227 9.141 1.00 0.00 C ATOM 70 O PHE A 5 0.704 -2.173 10.345 1.00 0.00 O ATOM 71 CB PHE A 5 2.297 -3.622 8.201 1.00 0.00 C ATOM 72 CG PHE A 5 3.004 -3.826 9.510 1.00 0.00 C ATOM 73 CD1 PHE A 5 2.348 -4.407 10.584 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.325 -3.439 9.667 1.00 0.00 C ATOM 75 CE1 PHE A 5 2.996 -4.597 11.790 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.979 -3.626 10.870 1.00 0.00 C ATOM 77 CZ PHE A 5 4.313 -4.206 11.933 1.00 0.00 C ATOM 0 H PHE A 5 3.427 -1.461 8.607 1.00 0.00 H new ATOM 0 HA PHE A 5 1.112 -2.181 7.118 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.579 -4.429 8.055 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.023 -3.691 7.391 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.318 -4.715 10.477 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.850 -2.986 8.839 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.473 -5.050 12.619 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.009 -3.319 10.979 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.822 -4.353 12.874 1.00 0.00 H new ATOM 87 N PHE A 6 -0.785 -2.261 8.657 1.00 0.00 N ATOM 88 CA PHE A 6 -1.956 -2.236 9.524 1.00 0.00 C ATOM 89 C PHE A 6 -2.967 -3.269 9.042 1.00 0.00 C ATOM 90 O PHE A 6 -3.706 -3.025 8.095 1.00 0.00 O ATOM 91 CB PHE A 6 -2.584 -0.841 9.534 1.00 0.00 C ATOM 92 CG PHE A 6 -2.796 -0.292 10.916 1.00 0.00 C ATOM 93 CD1 PHE A 6 -3.594 -0.963 11.828 1.00 0.00 C ATOM 94 CD2 PHE A 6 -2.194 0.895 11.303 1.00 0.00 C ATOM 95 CE1 PHE A 6 -3.789 -0.459 13.101 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.386 1.404 12.574 1.00 0.00 C ATOM 97 CZ PHE A 6 -3.185 0.724 13.474 1.00 0.00 C ATOM 0 H PHE A 6 -1.002 -2.306 7.661 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.652 -2.480 10.542 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.944 -0.159 8.974 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.542 -0.878 9.015 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.069 -1.890 11.542 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.568 1.429 10.603 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.414 -0.991 13.803 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.913 2.331 12.863 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.336 1.118 14.468 1.00 0.00 H new ATOM 107 N GLY A 7 -2.987 -4.426 9.692 1.00 0.00 N ATOM 108 CA GLY A 7 -3.899 -5.476 9.296 1.00 0.00 C ATOM 109 C GLY A 7 -5.275 -5.318 9.898 1.00 0.00 C ATOM 110 O GLY A 7 -6.077 -6.251 9.869 1.00 0.00 O ATOM 0 H GLY A 7 -2.388 -4.654 10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.983 -5.487 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.486 -6.440 9.594 1.00 0.00 H new ATOM 114 N CYS A 8 -5.560 -4.143 10.451 1.00 0.00 N ATOM 115 CA CYS A 8 -6.857 -3.908 11.058 1.00 0.00 C ATOM 116 C CYS A 8 -7.530 -2.647 10.513 1.00 0.00 C ATOM 117 O CYS A 8 -8.677 -2.356 10.856 1.00 0.00 O ATOM 118 CB CYS A 8 -6.725 -3.817 12.578 1.00 0.00 C ATOM 119 SG CYS A 8 -8.093 -4.577 13.485 1.00 0.00 S ATOM 0 H CYS A 8 -4.918 -3.352 10.489 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.491 -4.756 10.800 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.793 -4.295 12.880 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.653 -2.768 12.863 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.890 -4.451 14.763 1.00 0.00 H new ATOM 125 N ILE A 9 -6.827 -1.903 9.665 1.00 0.00 N ATOM 126 CA ILE A 9 -7.384 -0.683 9.085 1.00 0.00 C ATOM 127 C ILE A 9 -8.429 -1.010 8.027 1.00 0.00 C ATOM 128 O ILE A 9 -8.246 -1.923 7.221 1.00 0.00 O ATOM 129 CB ILE A 9 -6.296 0.196 8.438 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.527 -0.608 7.393 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.354 0.759 9.493 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.383 0.152 6.773 1.00 0.00 C ATOM 0 H ILE A 9 -5.877 -2.120 9.365 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.843 -0.134 9.907 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.778 1.038 7.942 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.141 -1.516 7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.215 -0.919 6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.595 1.376 9.011 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.920 1.366 10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.871 -0.061 10.025 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.881 -0.480 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.765 1.046 6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.674 0.440 7.549 1.00 0.00 H new ATOM 144 N SER A 10 -9.519 -0.253 8.025 1.00 0.00 N ATOM 145 CA SER A 10 -10.585 -0.457 7.054 1.00 0.00 C ATOM 146 C SER A 10 -10.404 0.480 5.866 1.00 0.00 C ATOM 147 O SER A 10 -9.696 1.483 5.961 1.00 0.00 O ATOM 148 CB SER A 10 -11.952 -0.225 7.703 1.00 0.00 C ATOM 149 OG SER A 10 -12.264 1.156 7.758 1.00 0.00 O ATOM 0 H SER A 10 -9.687 0.507 8.684 1.00 0.00 H new ATOM 0 HA SER A 10 -10.537 -1.487 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.720 -0.752 7.137 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.955 -0.642 8.710 1.00 0.00 H new ATOM 0 HG SER A 10 -13.142 1.277 8.175 1.00 0.00 H new ATOM 155 N ARG A 11 -11.043 0.155 4.748 1.00 0.00 N ATOM 156 CA ARG A 11 -10.941 0.981 3.548 1.00 0.00 C ATOM 157 C ARG A 11 -11.283 2.430 3.857 1.00 0.00 C ATOM 158 O ARG A 11 -10.771 3.354 3.227 1.00 0.00 O ATOM 159 CB ARG A 11 -11.861 0.447 2.447 1.00 0.00 C ATOM 160 CG ARG A 11 -11.562 1.026 1.072 1.00 0.00 C ATOM 161 CD ARG A 11 -11.215 -0.064 0.070 1.00 0.00 C ATOM 162 NE ARG A 11 -10.842 0.486 -1.231 1.00 0.00 N ATOM 163 CZ ARG A 11 -11.720 0.913 -2.136 1.00 0.00 C ATOM 164 NH1 ARG A 11 -13.021 0.858 -1.884 1.00 0.00 N ATOM 165 NH2 ARG A 11 -11.295 1.397 -3.295 1.00 0.00 N ATOM 0 H ARG A 11 -11.634 -0.670 4.646 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.910 0.937 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.770 -0.638 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.895 0.670 2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.427 1.586 0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.734 1.731 1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.393 -0.665 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.069 -0.731 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.850 0.546 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.353 0.487 -0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.690 1.186 -2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.295 1.442 -3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.968 1.724 -3.988 1.00 0.00 H new ATOM 179 N SER A 12 -12.147 2.611 4.837 1.00 0.00 N ATOM 180 CA SER A 12 -12.571 3.941 5.253 1.00 0.00 C ATOM 181 C SER A 12 -11.420 4.702 5.903 1.00 0.00 C ATOM 182 O SER A 12 -11.309 5.921 5.761 1.00 0.00 O ATOM 183 CB SER A 12 -13.747 3.842 6.226 1.00 0.00 C ATOM 184 OG SER A 12 -14.481 5.053 6.265 1.00 0.00 O ATOM 0 H SER A 12 -12.574 1.850 5.365 1.00 0.00 H new ATOM 0 HA SER A 12 -12.887 4.488 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.403 3.025 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.378 3.605 7.224 1.00 0.00 H new ATOM 0 HG SER A 12 -15.228 4.963 6.893 1.00 0.00 H new ATOM 190 N GLU A 13 -10.566 3.977 6.618 1.00 0.00 N ATOM 191 CA GLU A 13 -9.426 4.590 7.291 1.00 0.00 C ATOM 192 C GLU A 13 -8.308 4.903 6.308 1.00 0.00 C ATOM 193 O GLU A 13 -7.788 6.011 6.289 1.00 0.00 O ATOM 194 CB GLU A 13 -8.890 3.678 8.395 1.00 0.00 C ATOM 195 CG GLU A 13 -9.978 2.983 9.197 1.00 0.00 C ATOM 196 CD GLU A 13 -10.974 3.957 9.796 1.00 0.00 C ATOM 197 OE1 GLU A 13 -10.551 4.835 10.577 1.00 0.00 O ATOM 198 OE2 GLU A 13 -12.177 3.842 9.482 1.00 0.00 O ATOM 0 H GLU A 13 -10.641 2.968 6.746 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.776 5.522 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.243 2.924 7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.272 4.267 9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.506 2.280 8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.519 2.401 9.996 1.00 0.00 H new ATOM 205 N ALA A 14 -7.932 3.918 5.500 1.00 0.00 N ATOM 206 CA ALA A 14 -6.862 4.100 4.529 1.00 0.00 C ATOM 207 C ALA A 14 -7.174 5.231 3.555 1.00 0.00 C ATOM 208 O ALA A 14 -6.273 5.782 2.925 1.00 0.00 O ATOM 209 CB ALA A 14 -6.604 2.799 3.782 1.00 0.00 C ATOM 0 H ALA A 14 -8.351 2.988 5.499 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.959 4.379 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.802 2.948 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.314 2.024 4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.511 2.493 3.260 1.00 0.00 H new ATOM 215 N VAL A 15 -8.449 5.588 3.434 1.00 0.00 N ATOM 216 CA VAL A 15 -8.838 6.671 2.537 1.00 0.00 C ATOM 217 C VAL A 15 -8.596 8.024 3.200 1.00 0.00 C ATOM 218 O VAL A 15 -8.021 8.930 2.597 1.00 0.00 O ATOM 219 CB VAL A 15 -10.320 6.567 2.113 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.720 7.755 1.248 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.577 5.260 1.379 1.00 0.00 C ATOM 0 H VAL A 15 -9.221 5.151 3.938 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.221 6.582 1.643 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.933 6.581 3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.767 7.660 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.580 8.678 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.099 7.778 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.626 5.206 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.951 5.214 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.338 4.422 2.034 1.00 0.00 H new ATOM 231 N ARG A 16 -9.031 8.152 4.449 1.00 0.00 N ATOM 232 CA ARG A 16 -8.849 9.393 5.196 1.00 0.00 C ATOM 233 C ARG A 16 -7.462 9.447 5.827 1.00 0.00 C ATOM 234 O ARG A 16 -6.953 10.520 6.158 1.00 0.00 O ATOM 235 CB ARG A 16 -9.924 9.530 6.276 1.00 0.00 C ATOM 236 CG ARG A 16 -9.861 8.443 7.338 1.00 0.00 C ATOM 237 CD ARG A 16 -11.197 8.275 8.043 1.00 0.00 C ATOM 238 NE ARG A 16 -12.280 7.997 7.103 1.00 0.00 N ATOM 239 CZ ARG A 16 -13.558 7.883 7.457 1.00 0.00 C ATOM 240 NH1 ARG A 16 -13.917 8.023 8.728 1.00 0.00 N ATOM 241 NH2 ARG A 16 -14.481 7.631 6.539 1.00 0.00 N ATOM 0 H ARG A 16 -9.511 7.414 4.965 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.944 10.225 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.822 10.503 6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.906 9.509 5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.570 7.499 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.091 8.691 8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.126 7.462 8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.427 9.181 8.604 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.043 7.884 6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.212 8.219 9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.898 7.935 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.212 7.524 5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.460 7.544 6.811 1.00 0.00 H new ATOM 255 N ARG A 17 -6.862 8.279 5.985 1.00 0.00 N ATOM 256 CA ARG A 17 -5.534 8.157 6.570 1.00 0.00 C ATOM 257 C ARG A 17 -4.468 8.632 5.592 1.00 0.00 C ATOM 258 O ARG A 17 -3.583 9.409 5.948 1.00 0.00 O ATOM 259 CB ARG A 17 -5.264 6.703 6.975 1.00 0.00 C ATOM 260 CG ARG A 17 -3.914 6.499 7.645 1.00 0.00 C ATOM 261 CD ARG A 17 -3.910 5.257 8.521 1.00 0.00 C ATOM 262 NE ARG A 17 -3.079 5.426 9.710 1.00 0.00 N ATOM 263 CZ ARG A 17 -3.469 6.088 10.798 1.00 0.00 C ATOM 264 NH1 ARG A 17 -4.674 6.642 10.850 1.00 0.00 N ATOM 265 NH2 ARG A 17 -2.651 6.195 11.836 1.00 0.00 N ATOM 0 H ARG A 17 -7.280 7.389 5.712 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.493 8.787 7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.051 6.371 7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.320 6.071 6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.138 6.412 6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.671 7.373 8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.931 5.024 8.823 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.547 4.407 7.943 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.146 5.013 9.707 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.307 6.562 10.054 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.967 7.148 11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.724 5.771 11.801 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.949 6.702 12.670 1.00 0.00 H new ATOM 279 N LEU A 18 -4.559 8.152 4.358 1.00 0.00 N ATOM 280 CA LEU A 18 -3.602 8.516 3.323 1.00 0.00 C ATOM 281 C LEU A 18 -3.727 9.981 2.938 1.00 0.00 C ATOM 282 O LEU A 18 -2.731 10.688 2.788 1.00 0.00 O ATOM 283 CB LEU A 18 -3.793 7.632 2.099 1.00 0.00 C ATOM 284 CG LEU A 18 -3.044 6.305 2.151 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.547 6.547 2.195 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.479 5.492 3.359 1.00 0.00 C ATOM 0 H LEU A 18 -5.288 7.508 4.050 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.600 8.362 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.857 7.429 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.469 8.182 1.216 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.283 5.740 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.025 5.591 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.240 7.094 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.299 7.130 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.933 4.549 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.268 6.052 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.549 5.291 3.296 1.00 0.00 H new ATOM 298 N GLN A 19 -4.959 10.421 2.781 1.00 0.00 N ATOM 299 CA GLN A 19 -5.243 11.803 2.404 1.00 0.00 C ATOM 300 C GLN A 19 -4.999 12.768 3.563 1.00 0.00 C ATOM 301 O GLN A 19 -4.936 13.981 3.359 1.00 0.00 O ATOM 302 CB GLN A 19 -6.683 11.938 1.909 1.00 0.00 C ATOM 303 CG GLN A 19 -7.718 11.650 2.977 1.00 0.00 C ATOM 304 CD GLN A 19 -8.288 12.912 3.594 1.00 0.00 C ATOM 305 OE1 GLN A 19 -7.848 13.349 4.657 1.00 0.00 O ATOM 306 NE2 GLN A 19 -9.271 13.506 2.927 1.00 0.00 N ATOM 0 H GLN A 19 -5.789 9.842 2.908 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.559 12.066 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.835 12.948 1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.837 11.257 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.529 11.064 2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.267 11.040 3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.605 13.108 2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.692 14.360 3.293 1.00 0.00 H new ATOM 315 N ALA A 20 -4.852 12.233 4.776 1.00 0.00 N ATOM 316 CA ALA A 20 -4.603 13.069 5.950 1.00 0.00 C ATOM 317 C ALA A 20 -3.472 14.058 5.679 1.00 0.00 C ATOM 318 O ALA A 20 -2.833 14.002 4.629 1.00 0.00 O ATOM 319 CB ALA A 20 -4.268 12.199 7.152 1.00 0.00 C ATOM 0 H ALA A 20 -4.901 11.233 4.970 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.508 13.636 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.085 12.832 8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.103 11.530 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.376 11.610 6.938 1.00 0.00 H new ATOM 325 N GLU A 21 -3.216 14.962 6.622 1.00 0.00 N ATOM 326 CA GLU A 21 -2.148 15.942 6.439 1.00 0.00 C ATOM 327 C GLU A 21 -0.816 15.424 6.951 1.00 0.00 C ATOM 328 O GLU A 21 0.159 16.166 7.076 1.00 0.00 O ATOM 329 CB GLU A 21 -2.502 17.274 7.102 1.00 0.00 C ATOM 330 CG GLU A 21 -3.834 17.845 6.644 1.00 0.00 C ATOM 331 CD GLU A 21 -3.673 18.934 5.601 1.00 0.00 C ATOM 332 OE1 GLU A 21 -3.224 18.618 4.479 1.00 0.00 O ATOM 333 OE2 GLU A 21 -3.994 20.102 5.907 1.00 0.00 O ATOM 0 H GLU A 21 -3.722 15.037 7.504 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.046 16.111 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.527 17.137 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.714 17.997 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.448 17.043 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.368 18.247 7.505 1.00 0.00 H new ATOM 340 N GLY A 22 -0.786 14.137 7.198 1.00 0.00 N ATOM 341 CA GLY A 22 0.422 13.477 7.648 1.00 0.00 C ATOM 342 C GLY A 22 1.165 12.827 6.496 1.00 0.00 C ATOM 343 O GLY A 22 2.277 12.327 6.662 1.00 0.00 O ATOM 0 H GLY A 22 -1.590 13.519 7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.072 14.201 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.169 12.721 8.391 1.00 0.00 H new ATOM 347 N ASN A 23 0.524 12.814 5.327 1.00 0.00 N ATOM 348 CA ASN A 23 1.094 12.201 4.135 1.00 0.00 C ATOM 349 C ASN A 23 1.460 13.238 3.086 1.00 0.00 C ATOM 350 O ASN A 23 0.644 14.081 2.716 1.00 0.00 O ATOM 351 CB ASN A 23 0.095 11.206 3.554 1.00 0.00 C ATOM 352 CG ASN A 23 -0.127 10.021 4.471 1.00 0.00 C ATOM 353 OD1 ASN A 23 0.174 10.079 5.663 1.00 0.00 O ATOM 354 ND2 ASN A 23 -0.656 8.938 3.920 1.00 0.00 N ATOM 0 H ASN A 23 -0.398 13.226 5.184 1.00 0.00 H new ATOM 0 HA ASN A 23 2.011 11.688 4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.855 11.709 3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.455 10.854 2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.829 8.109 4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.891 8.934 2.927 1.00 0.00 H new ATOM 361 N ALA A 24 2.691 13.154 2.599 1.00 0.00 N ATOM 362 CA ALA A 24 3.170 14.069 1.577 1.00 0.00 C ATOM 363 C ALA A 24 3.357 13.335 0.259 1.00 0.00 C ATOM 364 O ALA A 24 4.462 13.258 -0.276 1.00 0.00 O ATOM 365 CB ALA A 24 4.466 14.730 2.014 1.00 0.00 C ATOM 0 H ALA A 24 3.376 12.459 2.897 1.00 0.00 H new ATOM 0 HA ALA A 24 2.424 14.851 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.808 15.411 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.297 15.288 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.224 13.966 2.186 1.00 0.00 H new ATOM 371 N THR A 25 2.256 12.789 -0.243 1.00 0.00 N ATOM 372 CA THR A 25 2.245 12.039 -1.493 1.00 0.00 C ATOM 373 C THR A 25 3.189 10.846 -1.426 1.00 0.00 C ATOM 374 O THR A 25 4.292 10.935 -0.889 1.00 0.00 O ATOM 375 CB THR A 25 2.588 12.945 -2.677 1.00 0.00 C ATOM 376 OG1 THR A 25 3.861 13.545 -2.511 1.00 0.00 O ATOM 377 CG2 THR A 25 1.577 14.054 -2.874 1.00 0.00 C ATOM 0 H THR A 25 1.343 12.854 0.207 1.00 0.00 H new ATOM 0 HA THR A 25 1.236 11.656 -1.644 1.00 0.00 H new ATOM 0 HB THR A 25 2.581 12.296 -3.553 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.303 13.163 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.870 14.666 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.594 13.621 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.538 14.674 -1.979 1.00 0.00 H new ATOM 385 N GLY A 26 2.724 9.716 -1.947 1.00 0.00 N ATOM 386 CA GLY A 26 3.511 8.499 -1.910 1.00 0.00 C ATOM 387 C GLY A 26 3.270 7.738 -0.636 1.00 0.00 C ATOM 388 O GLY A 26 3.447 6.526 -0.601 1.00 0.00 O ATOM 0 H GLY A 26 1.813 9.622 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.258 7.872 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.570 8.744 -1.996 1.00 0.00 H new ATOM 392 N ALA A 27 2.839 8.447 0.411 1.00 0.00 N ATOM 393 CA ALA A 27 2.544 7.814 1.685 1.00 0.00 C ATOM 394 C ALA A 27 1.731 6.558 1.436 1.00 0.00 C ATOM 395 O ALA A 27 0.700 6.609 0.774 1.00 0.00 O ATOM 396 CB ALA A 27 1.795 8.778 2.586 1.00 0.00 C ATOM 0 H ALA A 27 2.689 9.456 0.395 1.00 0.00 H new ATOM 0 HA ALA A 27 3.472 7.541 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.579 8.293 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.407 9.663 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.860 9.071 2.108 1.00 0.00 H new ATOM 402 N PHE A 28 2.218 5.428 1.915 1.00 0.00 N ATOM 403 CA PHE A 28 1.548 4.164 1.686 1.00 0.00 C ATOM 404 C PHE A 28 1.369 3.411 2.990 1.00 0.00 C ATOM 405 O PHE A 28 1.925 3.784 4.019 1.00 0.00 O ATOM 406 CB PHE A 28 2.380 3.353 0.699 1.00 0.00 C ATOM 407 CG PHE A 28 3.844 3.329 1.042 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.622 4.469 0.918 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.439 2.174 1.495 1.00 0.00 C ATOM 410 CE1 PHE A 28 5.962 4.450 1.242 1.00 0.00 C ATOM 411 CE2 PHE A 28 5.783 2.149 1.822 1.00 0.00 C ATOM 412 CZ PHE A 28 6.544 3.289 1.696 1.00 0.00 C ATOM 0 H PHE A 28 3.075 5.361 2.465 1.00 0.00 H new ATOM 0 HA PHE A 28 0.555 4.338 1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.003 2.331 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.254 3.768 -0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.173 5.385 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.849 1.275 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.555 5.347 1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.235 1.235 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.593 3.272 1.952 1.00 0.00 H new ATOM 422 N LEU A 29 0.573 2.361 2.933 1.00 0.00 N ATOM 423 CA LEU A 29 0.286 1.540 4.099 1.00 0.00 C ATOM 424 C LEU A 29 -0.133 0.141 3.671 1.00 0.00 C ATOM 425 O LEU A 29 -0.777 -0.032 2.639 1.00 0.00 O ATOM 426 CB LEU A 29 -0.802 2.193 4.959 1.00 0.00 C ATOM 427 CG LEU A 29 -2.088 2.655 4.237 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.987 2.562 2.729 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.268 1.840 4.714 1.00 0.00 C ATOM 0 H LEU A 29 0.107 2.051 2.080 1.00 0.00 H new ATOM 0 HA LEU A 29 1.192 1.458 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.087 1.486 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.365 3.058 5.458 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.226 3.707 4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.921 2.900 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.168 3.191 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.799 1.528 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.171 2.172 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.094 0.786 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.392 1.974 5.789 1.00 0.00 H new ATOM 441 N ILE A 30 0.232 -0.864 4.451 1.00 0.00 N ATOM 442 CA ILE A 30 -0.118 -2.230 4.091 1.00 0.00 C ATOM 443 C ILE A 30 -1.052 -2.862 5.108 1.00 0.00 C ATOM 444 O ILE A 30 -0.708 -3.015 6.276 1.00 0.00 O ATOM 445 CB ILE A 30 1.129 -3.114 3.924 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.289 -2.312 3.286 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.765 -4.342 3.101 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.660 -2.726 1.876 1.00 0.00 C ATOM 0 H ILE A 30 0.759 -0.765 5.319 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.635 -2.168 3.133 1.00 0.00 H new ATOM 0 HB ILE A 30 1.477 -3.446 4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.018 -1.256 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.170 -2.411 3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.646 -4.973 2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.016 -4.904 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.404 -4.029 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.482 -2.105 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.967 -3.772 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.798 -2.599 1.221 1.00 0.00 H new ATOM 460 N ARG A 31 -2.238 -3.234 4.645 1.00 0.00 N ATOM 461 CA ARG A 31 -3.234 -3.853 5.504 1.00 0.00 C ATOM 462 C ARG A 31 -3.588 -5.242 5.000 1.00 0.00 C ATOM 463 O ARG A 31 -3.053 -5.700 3.991 1.00 0.00 O ATOM 464 CB ARG A 31 -4.497 -2.996 5.544 1.00 0.00 C ATOM 465 CG ARG A 31 -5.250 -2.982 4.232 1.00 0.00 C ATOM 466 CD ARG A 31 -6.164 -1.773 4.117 1.00 0.00 C ATOM 467 NE ARG A 31 -6.318 -1.339 2.732 1.00 0.00 N ATOM 468 CZ ARG A 31 -5.320 -0.871 1.987 1.00 0.00 C ATOM 469 NH1 ARG A 31 -4.107 -0.726 2.507 1.00 0.00 N ATOM 470 NH2 ARG A 31 -5.535 -0.541 0.723 1.00 0.00 N ATOM 0 H ARG A 31 -2.533 -3.117 3.676 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.815 -3.935 6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.155 -3.367 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.227 -1.974 5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.539 -2.980 3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.841 -3.894 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.142 -2.016 4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.760 -0.954 4.712 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.245 -1.398 2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.937 -0.974 3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.345 -0.367 1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.466 -0.645 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.770 -0.182 0.152 1.00 0.00 H new ATOM 484 N VAL A 32 -4.504 -5.906 5.694 1.00 0.00 N ATOM 485 CA VAL A 32 -4.924 -7.237 5.288 1.00 0.00 C ATOM 486 C VAL A 32 -6.113 -7.170 4.340 1.00 0.00 C ATOM 487 O VAL A 32 -6.874 -6.203 4.342 1.00 0.00 O ATOM 488 CB VAL A 32 -5.284 -8.117 6.502 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.088 -8.258 7.431 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.482 -7.544 7.248 1.00 0.00 C ATOM 0 H VAL A 32 -4.964 -5.548 6.531 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.078 -7.690 4.771 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.555 -9.108 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.360 -8.882 8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.261 -8.720 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.785 -7.273 7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.718 -8.181 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.245 -6.540 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.341 -7.501 6.578 1.00 0.00 H new ATOM 500 N SER A 33 -6.259 -8.206 3.521 1.00 0.00 N ATOM 501 CA SER A 33 -7.345 -8.274 2.552 1.00 0.00 C ATOM 502 C SER A 33 -8.698 -8.009 3.203 1.00 0.00 C ATOM 503 O SER A 33 -9.250 -8.871 3.888 1.00 0.00 O ATOM 504 CB SER A 33 -7.358 -9.644 1.871 1.00 0.00 C ATOM 505 OG SER A 33 -6.872 -10.651 2.740 1.00 0.00 O ATOM 0 H SER A 33 -5.635 -9.013 3.510 1.00 0.00 H new ATOM 0 HA SER A 33 -7.172 -7.497 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.373 -9.888 1.558 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.746 -9.611 0.970 1.00 0.00 H new ATOM 0 HG SER A 33 -5.895 -10.592 2.795 1.00 0.00 H new ATOM 511 N GLU A 34 -9.237 -6.817 2.962 1.00 0.00 N ATOM 512 CA GLU A 34 -10.540 -6.444 3.501 1.00 0.00 C ATOM 513 C GLU A 34 -11.639 -6.776 2.495 1.00 0.00 C ATOM 514 O GLU A 34 -12.735 -6.217 2.538 1.00 0.00 O ATOM 515 CB GLU A 34 -10.571 -4.956 3.833 1.00 0.00 C ATOM 516 CG GLU A 34 -10.177 -4.064 2.667 1.00 0.00 C ATOM 517 CD GLU A 34 -11.249 -3.048 2.322 1.00 0.00 C ATOM 518 OE1 GLU A 34 -12.072 -2.729 3.206 1.00 0.00 O ATOM 519 OE2 GLU A 34 -11.264 -2.570 1.169 1.00 0.00 O ATOM 0 H GLU A 34 -8.791 -6.094 2.397 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.713 -7.011 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.574 -4.687 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.899 -4.765 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.252 -3.542 2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.974 -4.683 1.793 1.00 0.00 H new ATOM 526 N LYS A 35 -11.322 -7.698 1.595 1.00 0.00 N ATOM 527 CA LYS A 35 -12.250 -8.142 0.562 1.00 0.00 C ATOM 528 C LYS A 35 -11.661 -9.302 -0.253 1.00 0.00 C ATOM 529 O LYS A 35 -12.364 -10.272 -0.535 1.00 0.00 O ATOM 530 CB LYS A 35 -12.671 -6.991 -0.370 1.00 0.00 C ATOM 531 CG LYS A 35 -11.663 -5.854 -0.497 1.00 0.00 C ATOM 532 CD LYS A 35 -12.352 -4.499 -0.564 1.00 0.00 C ATOM 533 CE LYS A 35 -13.336 -4.425 -1.723 1.00 0.00 C ATOM 534 NZ LYS A 35 -13.002 -3.322 -2.666 1.00 0.00 N ATOM 0 H LYS A 35 -10.413 -8.160 1.560 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.144 -8.497 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.860 -7.400 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.614 -6.580 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.982 -5.875 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.059 -6.001 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.878 -4.311 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.603 -3.715 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.337 -5.374 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.344 -4.278 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.696 -3.306 -3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.026 -2.414 -2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.050 -3.475 -3.057 1.00 0.00 H new ATOM 548 N PRO A 36 -10.364 -9.240 -0.642 1.00 0.00 N ATOM 549 CA PRO A 36 -9.729 -10.317 -1.417 1.00 0.00 C ATOM 550 C PRO A 36 -9.768 -11.653 -0.682 1.00 0.00 C ATOM 551 O PRO A 36 -10.599 -11.862 0.202 1.00 0.00 O ATOM 552 CB PRO A 36 -8.280 -9.838 -1.581 1.00 0.00 C ATOM 553 CG PRO A 36 -8.346 -8.365 -1.395 1.00 0.00 C ATOM 554 CD PRO A 36 -9.413 -8.145 -0.368 1.00 0.00 C ATOM 0 HA PRO A 36 -10.240 -10.494 -2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.624 -10.301 -0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.887 -10.096 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.388 -7.968 -1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.590 -7.861 -2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.016 -8.199 0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.881 -7.167 -0.475 1.00 0.00 H new ATOM 562 N SER A 37 -8.866 -12.557 -1.053 1.00 0.00 N ATOM 563 CA SER A 37 -8.799 -13.873 -0.427 1.00 0.00 C ATOM 564 C SER A 37 -7.359 -14.240 -0.082 1.00 0.00 C ATOM 565 O SER A 37 -6.561 -14.557 -0.965 1.00 0.00 O ATOM 566 CB SER A 37 -9.402 -14.933 -1.351 1.00 0.00 C ATOM 567 OG SER A 37 -10.130 -15.899 -0.615 1.00 0.00 O ATOM 0 H SER A 37 -8.172 -12.402 -1.784 1.00 0.00 H new ATOM 0 HA SER A 37 -9.376 -13.837 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.059 -14.455 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.608 -15.423 -1.914 1.00 0.00 H new ATOM 0 HG SER A 37 -10.506 -16.563 -1.230 1.00 0.00 H new ATOM 573 N ALA A 38 -7.031 -14.194 1.206 1.00 0.00 N ATOM 574 CA ALA A 38 -5.686 -14.519 1.666 1.00 0.00 C ATOM 575 C ALA A 38 -4.645 -13.643 0.977 1.00 0.00 C ATOM 576 O ALA A 38 -3.776 -14.138 0.258 1.00 0.00 O ATOM 577 CB ALA A 38 -5.386 -15.990 1.422 1.00 0.00 C ATOM 0 H ALA A 38 -7.679 -13.935 1.950 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.637 -14.323 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.379 -16.219 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.105 -16.603 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.459 -16.204 0.356 1.00 0.00 H new ATOM 583 N ASP A 39 -4.743 -12.336 1.195 1.00 0.00 N ATOM 584 CA ASP A 39 -3.814 -11.388 0.591 1.00 0.00 C ATOM 585 C ASP A 39 -3.660 -10.145 1.464 1.00 0.00 C ATOM 586 O ASP A 39 -4.078 -10.133 2.621 1.00 0.00 O ATOM 587 CB ASP A 39 -4.306 -10.991 -0.804 1.00 0.00 C ATOM 588 CG ASP A 39 -4.711 -12.192 -1.638 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.831 -13.015 -1.961 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.911 -12.307 -1.967 1.00 0.00 O ATOM 0 H ASP A 39 -5.457 -11.909 1.786 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.840 -11.869 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.156 -10.316 -0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.519 -10.442 -1.321 1.00 0.00 H new ATOM 595 N TYR A 40 -3.075 -9.095 0.893 1.00 0.00 N ATOM 596 CA TYR A 40 -2.881 -7.840 1.604 1.00 0.00 C ATOM 597 C TYR A 40 -3.138 -6.704 0.652 1.00 0.00 C ATOM 598 O TYR A 40 -2.834 -6.806 -0.525 1.00 0.00 O ATOM 599 CB TYR A 40 -1.459 -7.742 2.188 1.00 0.00 C ATOM 600 CG TYR A 40 -1.379 -8.146 3.645 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.689 -9.438 4.040 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.995 -7.235 4.623 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.618 -9.817 5.368 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.922 -7.605 5.953 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.233 -8.897 6.320 1.00 0.00 C ATOM 606 OH TYR A 40 -1.161 -9.270 7.642 1.00 0.00 O ATOM 0 H TYR A 40 -2.726 -9.092 -0.066 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.578 -7.791 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.790 -8.376 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.100 -6.718 2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.991 -10.162 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.750 -6.222 4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.863 -10.828 5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.623 -6.886 6.701 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.873 -8.505 8.183 1.00 0.00 H new ATOM 616 N VAL A 41 -3.713 -5.632 1.154 1.00 0.00 N ATOM 617 CA VAL A 41 -4.013 -4.491 0.305 1.00 0.00 C ATOM 618 C VAL A 41 -3.197 -3.281 0.709 1.00 0.00 C ATOM 619 O VAL A 41 -3.050 -2.981 1.892 1.00 0.00 O ATOM 620 CB VAL A 41 -5.510 -4.141 0.321 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.253 -5.017 -0.675 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.088 -4.319 1.718 1.00 0.00 C ATOM 0 H VAL A 41 -3.981 -5.523 2.132 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.743 -4.776 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.629 -3.096 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.314 -4.766 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.854 -4.849 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.125 -6.065 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.148 -4.066 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.965 -5.355 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.565 -3.663 2.414 1.00 0.00 H new ATOM 632 N LEU A 42 -2.651 -2.599 -0.284 1.00 0.00 N ATOM 633 CA LEU A 42 -1.833 -1.431 -0.032 1.00 0.00 C ATOM 634 C LEU A 42 -2.445 -0.194 -0.662 1.00 0.00 C ATOM 635 O LEU A 42 -2.864 -0.215 -1.813 1.00 0.00 O ATOM 636 CB LEU A 42 -0.425 -1.635 -0.580 1.00 0.00 C ATOM 637 CG LEU A 42 0.486 -0.415 -0.470 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.109 -0.337 0.913 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.561 -0.472 -1.536 1.00 0.00 C ATOM 0 H LEU A 42 -2.761 -2.836 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.782 -1.289 1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.039 -2.467 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.496 -1.925 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.112 0.483 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.755 0.539 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.322 -0.259 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.698 -1.235 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.206 0.402 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.156 -1.376 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.096 -0.484 -2.522 1.00 0.00 H new ATOM 651 N SER A 43 -2.470 0.889 0.095 1.00 0.00 N ATOM 652 CA SER A 43 -3.006 2.145 -0.400 1.00 0.00 C ATOM 653 C SER A 43 -1.972 3.235 -0.326 1.00 0.00 C ATOM 654 O SER A 43 -0.932 3.086 0.313 1.00 0.00 O ATOM 655 CB SER A 43 -4.277 2.533 0.332 1.00 0.00 C ATOM 656 OG SER A 43 -4.129 3.745 1.052 1.00 0.00 O ATOM 0 H SER A 43 -2.126 0.924 1.054 1.00 0.00 H new ATOM 0 HA SER A 43 -3.269 2.006 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.091 2.635 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.557 1.735 1.020 1.00 0.00 H new ATOM 0 HG SER A 43 -5.005 4.041 1.378 1.00 0.00 H new ATOM 662 N VAL A 44 -2.247 4.317 -1.018 1.00 0.00 N ATOM 663 CA VAL A 44 -1.314 5.427 -1.056 1.00 0.00 C ATOM 664 C VAL A 44 -2.011 6.748 -1.339 1.00 0.00 C ATOM 665 O VAL A 44 -2.899 6.825 -2.187 1.00 0.00 O ATOM 666 CB VAL A 44 -0.226 5.179 -2.122 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.788 5.348 -3.527 1.00 0.00 C ATOM 668 CG2 VAL A 44 0.967 6.095 -1.904 1.00 0.00 C ATOM 0 H VAL A 44 -3.101 4.455 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.854 5.493 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 44 0.115 4.149 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.000 5.168 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.598 4.635 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.169 6.362 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.720 5.900 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.644 7.134 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.394 5.908 -0.919 1.00 0.00 H new ATOM 678 N ARG A 45 -1.570 7.797 -0.651 1.00 0.00 N ATOM 679 CA ARG A 45 -2.126 9.123 -0.868 1.00 0.00 C ATOM 680 C ARG A 45 -1.814 9.561 -2.288 1.00 0.00 C ATOM 681 O ARG A 45 -2.402 10.506 -2.813 1.00 0.00 O ATOM 682 CB ARG A 45 -1.541 10.131 0.124 1.00 0.00 C ATOM 683 CG ARG A 45 -2.210 11.495 0.066 1.00 0.00 C ATOM 684 CD ARG A 45 -1.239 12.609 0.421 1.00 0.00 C ATOM 685 NE ARG A 45 -1.933 13.863 0.712 1.00 0.00 N ATOM 686 CZ ARG A 45 -1.431 15.071 0.462 1.00 0.00 C ATOM 687 NH1 ARG A 45 -0.226 15.203 -0.080 1.00 0.00 N ATOM 688 NH2 ARG A 45 -2.137 16.153 0.756 1.00 0.00 N ATOM 0 H ARG A 45 -0.835 7.753 0.055 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.204 9.084 -0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.635 9.732 1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.476 10.249 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.608 11.664 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.056 11.516 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.646 12.312 1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.544 12.762 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.860 13.809 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.324 14.375 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.150 16.133 -0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.063 16.060 1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.754 17.079 0.565 1.00 0.00 H new ATOM 702 N ASP A 46 -0.877 8.846 -2.899 1.00 0.00 N ATOM 703 CA ASP A 46 -0.458 9.132 -4.266 1.00 0.00 C ATOM 704 C ASP A 46 -0.038 10.592 -4.431 1.00 0.00 C ATOM 705 O ASP A 46 1.116 10.940 -4.197 1.00 0.00 O ATOM 706 CB ASP A 46 -1.570 8.757 -5.258 1.00 0.00 C ATOM 707 CG ASP A 46 -1.104 7.753 -6.292 1.00 0.00 C ATOM 708 OD1 ASP A 46 -0.702 6.639 -5.900 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.141 8.083 -7.496 1.00 0.00 O ATOM 0 H ASP A 46 -0.391 8.060 -2.467 1.00 0.00 H new ATOM 0 HA ASP A 46 0.417 8.520 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.418 8.345 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.923 9.657 -5.762 1.00 0.00 H new ATOM 714 N THR A 47 -0.972 11.436 -4.841 1.00 0.00 N ATOM 715 CA THR A 47 -0.688 12.854 -5.044 1.00 0.00 C ATOM 716 C THR A 47 -1.714 13.749 -4.350 1.00 0.00 C ATOM 717 O THR A 47 -1.543 14.966 -4.288 1.00 0.00 O ATOM 718 CB THR A 47 -0.649 13.176 -6.539 1.00 0.00 C ATOM 719 OG1 THR A 47 -0.288 14.529 -6.752 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.972 12.938 -7.236 1.00 0.00 C ATOM 0 H THR A 47 -1.935 11.166 -5.041 1.00 0.00 H new ATOM 0 HA THR A 47 0.286 13.057 -4.599 1.00 0.00 H new ATOM 0 HB THR A 47 0.093 12.499 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.498 15.054 -5.951 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.876 13.186 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.254 11.890 -7.133 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.739 13.567 -6.784 1.00 0.00 H new ATOM 728 N GLN A 48 -2.777 13.144 -3.829 1.00 0.00 N ATOM 729 CA GLN A 48 -3.829 13.890 -3.138 1.00 0.00 C ATOM 730 C GLN A 48 -5.024 12.994 -2.855 1.00 0.00 C ATOM 731 O GLN A 48 -5.701 13.134 -1.835 1.00 0.00 O ATOM 732 CB GLN A 48 -4.267 15.105 -3.963 1.00 0.00 C ATOM 733 CG GLN A 48 -3.700 16.421 -3.455 1.00 0.00 C ATOM 734 CD GLN A 48 -4.779 17.433 -3.122 1.00 0.00 C ATOM 735 OE1 GLN A 48 -4.783 18.548 -3.643 1.00 0.00 O ATOM 736 NE2 GLN A 48 -5.701 17.046 -2.248 1.00 0.00 N ATOM 0 H GLN A 48 -2.935 12.137 -3.871 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.423 14.242 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.958 14.961 -4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.355 15.163 -3.960 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.097 16.233 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.034 16.841 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.658 16.112 -1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.452 17.683 -1.983 1.00 0.00 H new ATOM 745 N ALA A 49 -5.263 12.070 -3.764 1.00 0.00 N ATOM 746 CA ALA A 49 -6.364 11.124 -3.637 1.00 0.00 C ATOM 747 C ALA A 49 -5.833 9.732 -3.323 1.00 0.00 C ATOM 748 O ALA A 49 -4.885 9.266 -3.952 1.00 0.00 O ATOM 749 CB ALA A 49 -7.195 11.104 -4.911 1.00 0.00 C ATOM 0 H ALA A 49 -4.705 11.950 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.003 11.443 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.013 10.393 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.601 12.098 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.567 10.807 -5.751 1.00 0.00 H new ATOM 755 N VAL A 50 -6.437 9.076 -2.339 1.00 0.00 N ATOM 756 CA VAL A 50 -6.002 7.744 -1.946 1.00 0.00 C ATOM 757 C VAL A 50 -6.231 6.725 -3.050 1.00 0.00 C ATOM 758 O VAL A 50 -7.289 6.686 -3.677 1.00 0.00 O ATOM 759 CB VAL A 50 -6.712 7.256 -0.668 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.244 5.852 -0.298 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.463 8.223 0.473 1.00 0.00 C ATOM 0 H VAL A 50 -7.224 9.443 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.933 7.828 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.784 7.217 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.756 5.524 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.473 5.166 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.168 5.861 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.970 7.866 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.392 8.291 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.847 9.207 0.206 1.00 0.00 H new ATOM 771 N ARG A 51 -5.230 5.884 -3.254 1.00 0.00 N ATOM 772 CA ARG A 51 -5.295 4.832 -4.250 1.00 0.00 C ATOM 773 C ARG A 51 -4.980 3.499 -3.589 1.00 0.00 C ATOM 774 O ARG A 51 -3.836 3.231 -3.229 1.00 0.00 O ATOM 775 CB ARG A 51 -4.314 5.108 -5.388 1.00 0.00 C ATOM 776 CG ARG A 51 -4.592 6.405 -6.130 1.00 0.00 C ATOM 777 CD ARG A 51 -4.001 6.384 -7.531 1.00 0.00 C ATOM 778 NE ARG A 51 -4.924 6.929 -8.523 1.00 0.00 N ATOM 779 CZ ARG A 51 -6.093 6.373 -8.834 1.00 0.00 C ATOM 780 NH1 ARG A 51 -6.485 5.255 -8.236 1.00 0.00 N ATOM 781 NH2 ARG A 51 -6.872 6.937 -9.747 1.00 0.00 N ATOM 0 H ARG A 51 -4.353 5.913 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.299 4.799 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.302 5.140 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.349 4.280 -6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.668 6.567 -6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.174 7.242 -5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.075 6.959 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.743 5.360 -7.800 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.657 7.787 -9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.889 4.817 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.382 4.834 -8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.575 7.796 -10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.768 6.512 -9.986 1.00 0.00 H new ATOM 795 N HIS A 52 -6.004 2.679 -3.402 1.00 0.00 N ATOM 796 CA HIS A 52 -5.828 1.389 -2.754 1.00 0.00 C ATOM 797 C HIS A 52 -5.384 0.342 -3.757 1.00 0.00 C ATOM 798 O HIS A 52 -5.534 0.529 -4.964 1.00 0.00 O ATOM 799 CB HIS A 52 -7.130 0.976 -2.073 1.00 0.00 C ATOM 800 CG HIS A 52 -7.582 2.026 -1.123 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.026 2.162 0.119 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.422 3.072 -1.280 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.479 3.252 0.686 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.339 3.829 -0.138 1.00 0.00 N ATOM 0 H HIS A 52 -6.961 2.883 -3.689 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.048 1.474 -1.997 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.900 0.803 -2.825 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.986 0.035 -1.541 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.360 1.514 0.539 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.042 3.274 -2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.198 3.619 1.662 1.00 0.00 H new ATOM 813 N TYR A 53 -4.805 -0.747 -3.266 1.00 0.00 N ATOM 814 CA TYR A 53 -4.312 -1.783 -4.155 1.00 0.00 C ATOM 815 C TYR A 53 -4.346 -3.162 -3.512 1.00 0.00 C ATOM 816 O TYR A 53 -4.021 -3.324 -2.337 1.00 0.00 O ATOM 817 CB TYR A 53 -2.880 -1.446 -4.564 1.00 0.00 C ATOM 818 CG TYR A 53 -2.704 -0.024 -5.048 1.00 0.00 C ATOM 819 CD1 TYR A 53 -3.197 0.367 -6.284 1.00 0.00 C ATOM 820 CD2 TYR A 53 -2.036 0.924 -4.280 1.00 0.00 C ATOM 821 CE1 TYR A 53 -3.028 1.657 -6.747 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.867 2.218 -4.735 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.364 2.579 -5.969 1.00 0.00 C ATOM 824 OH TYR A 53 -2.189 3.864 -6.429 1.00 0.00 O ATOM 0 H TYR A 53 -4.668 -0.931 -2.272 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.966 -1.815 -5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.219 -1.615 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.566 -2.130 -5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.723 -0.351 -6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.643 0.645 -3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.415 1.941 -7.714 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.348 2.943 -4.126 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.328 4.210 -6.115 1.00 0.00 H new ATOM 834 N LYS A 54 -4.718 -4.156 -4.309 1.00 0.00 N ATOM 835 CA LYS A 54 -4.768 -5.535 -3.849 1.00 0.00 C ATOM 836 C LYS A 54 -3.414 -6.191 -4.051 1.00 0.00 C ATOM 837 O LYS A 54 -2.959 -6.354 -5.181 1.00 0.00 O ATOM 838 CB LYS A 54 -5.841 -6.317 -4.610 1.00 0.00 C ATOM 839 CG LYS A 54 -6.138 -7.684 -4.016 1.00 0.00 C ATOM 840 CD LYS A 54 -7.316 -8.351 -4.710 1.00 0.00 C ATOM 841 CE LYS A 54 -7.099 -8.456 -6.213 1.00 0.00 C ATOM 842 NZ LYS A 54 -8.035 -7.581 -6.973 1.00 0.00 N ATOM 0 H LYS A 54 -4.991 -4.029 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.020 -5.541 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.760 -5.731 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.522 -6.442 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.256 -8.319 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.352 -7.581 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.467 -9.347 -4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.224 -7.782 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.071 -8.181 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.234 -9.491 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.854 -7.682 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.016 -7.859 -6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.889 -6.590 -6.692 1.00 0.00 H new ATOM 856 N ILE A 55 -2.781 -6.573 -2.956 1.00 0.00 N ATOM 857 CA ILE A 55 -1.484 -7.218 -3.007 1.00 0.00 C ATOM 858 C ILE A 55 -1.677 -8.719 -2.827 1.00 0.00 C ATOM 859 O ILE A 55 -1.785 -9.211 -1.705 1.00 0.00 O ATOM 860 CB ILE A 55 -0.530 -6.683 -1.912 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.885 -5.249 -1.480 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.912 -6.737 -2.382 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.534 -4.960 -0.038 1.00 0.00 C ATOM 0 H ILE A 55 -3.149 -6.445 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.029 -7.000 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.651 -7.331 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.362 -4.542 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.952 -5.085 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.565 -6.356 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.182 -7.768 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.026 -6.125 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.809 -3.934 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.077 -5.645 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.538 -5.093 0.109 1.00 0.00 H new ATOM 875 N TRP A 56 -1.761 -9.431 -3.943 1.00 0.00 N ATOM 876 CA TRP A 56 -1.993 -10.869 -3.921 1.00 0.00 C ATOM 877 C TRP A 56 -0.697 -11.654 -3.760 1.00 0.00 C ATOM 878 O TRP A 56 0.352 -11.264 -4.272 1.00 0.00 O ATOM 879 CB TRP A 56 -2.716 -11.293 -5.203 1.00 0.00 C ATOM 880 CG TRP A 56 -3.629 -12.470 -5.022 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.292 -13.707 -4.554 1.00 0.00 C ATOM 882 CD2 TRP A 56 -5.031 -12.520 -5.312 1.00 0.00 C ATOM 883 NE1 TRP A 56 -4.397 -14.522 -4.533 1.00 0.00 N ATOM 884 CE2 TRP A 56 -5.477 -13.817 -4.993 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.955 -11.595 -5.810 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -6.803 -14.210 -5.156 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -7.271 -11.988 -5.970 1.00 0.00 C ATOM 888 CH2 TRP A 56 -7.684 -13.285 -5.644 1.00 0.00 C ATOM 0 H TRP A 56 -1.672 -9.034 -4.878 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.616 -11.095 -3.056 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.296 -10.450 -5.578 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.974 -11.534 -5.965 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.300 -14.002 -4.245 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.411 -15.494 -4.225 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.646 -10.592 -6.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.124 -15.210 -4.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.993 -11.282 -6.353 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.719 -13.561 -5.781 1.00 0.00 H new ATOM 899 N ARG A 57 -0.788 -12.770 -3.043 1.00 0.00 N ATOM 900 CA ARG A 57 0.360 -13.633 -2.803 1.00 0.00 C ATOM 901 C ARG A 57 0.553 -14.604 -3.964 1.00 0.00 C ATOM 902 O ARG A 57 -0.349 -14.800 -4.777 1.00 0.00 O ATOM 903 CB ARG A 57 0.168 -14.405 -1.495 1.00 0.00 C ATOM 904 CG ARG A 57 1.308 -15.356 -1.167 1.00 0.00 C ATOM 905 CD ARG A 57 1.081 -16.061 0.163 1.00 0.00 C ATOM 906 NE ARG A 57 2.148 -15.784 1.120 1.00 0.00 N ATOM 907 CZ ARG A 57 2.315 -16.453 2.259 1.00 0.00 C ATOM 908 NH1 ARG A 57 1.488 -17.438 2.584 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.311 -16.136 3.075 1.00 0.00 N ATOM 0 H ARG A 57 -1.654 -13.098 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 57 1.252 -13.012 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.056 -13.693 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.761 -14.973 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.405 -16.097 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.246 -14.802 -1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.127 -15.744 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.014 -17.136 -0.004 1.00 0.00 H new ATOM 0 HE ARG A 57 2.804 -15.034 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.720 -17.686 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.620 -17.948 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.950 -15.379 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.438 -16.649 3.947 1.00 0.00 H new ATOM 923 N ARG A 58 1.733 -15.204 -4.039 1.00 0.00 N ATOM 924 CA ARG A 58 2.041 -16.149 -5.104 1.00 0.00 C ATOM 925 C ARG A 58 1.689 -17.575 -4.695 1.00 0.00 C ATOM 926 O ARG A 58 0.552 -18.016 -4.857 1.00 0.00 O ATOM 927 CB ARG A 58 3.520 -16.037 -5.484 1.00 0.00 C ATOM 928 CG ARG A 58 3.787 -15.049 -6.609 1.00 0.00 C ATOM 929 CD ARG A 58 3.136 -15.488 -7.909 1.00 0.00 C ATOM 930 NE ARG A 58 3.337 -16.911 -8.173 1.00 0.00 N ATOM 931 CZ ARG A 58 4.457 -17.421 -8.682 1.00 0.00 C ATOM 932 NH1 ARG A 58 5.479 -16.630 -8.981 1.00 0.00 N ATOM 933 NH2 ARG A 58 4.554 -18.726 -8.891 1.00 0.00 N ATOM 0 H ARG A 58 2.493 -15.053 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 58 1.434 -15.902 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.090 -15.737 -4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.886 -17.020 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.410 -14.066 -6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.862 -14.948 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.068 -15.275 -7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.546 -14.906 -8.734 1.00 0.00 H new ATOM 0 HE ARG A 58 2.574 -17.552 -7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.410 -15.625 -8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.334 -17.027 -9.371 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.771 -19.339 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.411 -19.118 -9.281 1.00 0.00 H new ATOM 947 N ALA A 59 2.669 -18.288 -4.166 1.00 0.00 N ATOM 948 CA ALA A 59 2.472 -19.666 -3.733 1.00 0.00 C ATOM 949 C ALA A 59 3.436 -20.029 -2.608 1.00 0.00 C ATOM 950 O ALA A 59 4.252 -20.941 -2.745 1.00 0.00 O ATOM 951 CB ALA A 59 2.641 -20.618 -4.908 1.00 0.00 C ATOM 0 H ALA A 59 3.615 -17.935 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 59 1.456 -19.760 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.491 -21.643 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.908 -20.379 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.645 -20.514 -5.319 1.00 0.00 H new ATOM 957 N GLY A 60 3.336 -19.310 -1.496 1.00 0.00 N ATOM 958 CA GLY A 60 4.205 -19.570 -0.364 1.00 0.00 C ATOM 959 C GLY A 60 4.828 -18.304 0.190 1.00 0.00 C ATOM 960 O GLY A 60 5.022 -18.176 1.399 1.00 0.00 O ATOM 0 H GLY A 60 2.668 -18.551 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.635 -20.065 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.995 -20.258 -0.666 1.00 0.00 H new ATOM 964 N GLY A 61 5.142 -17.365 -0.697 1.00 0.00 N ATOM 965 CA GLY A 61 5.742 -16.116 -0.269 1.00 0.00 C ATOM 966 C GLY A 61 6.147 -15.234 -1.434 1.00 0.00 C ATOM 967 O GLY A 61 7.269 -15.326 -1.931 1.00 0.00 O ATOM 0 H GLY A 61 4.992 -17.447 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.037 -15.576 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.619 -16.329 0.342 1.00 0.00 H new ATOM 971 N ARG A 62 5.232 -14.370 -1.865 1.00 0.00 N ATOM 972 CA ARG A 62 5.498 -13.459 -2.973 1.00 0.00 C ATOM 973 C ARG A 62 4.262 -12.631 -3.295 1.00 0.00 C ATOM 974 O ARG A 62 3.255 -13.148 -3.777 1.00 0.00 O ATOM 975 CB ARG A 62 5.957 -14.224 -4.215 1.00 0.00 C ATOM 976 CG ARG A 62 7.130 -13.578 -4.931 1.00 0.00 C ATOM 977 CD ARG A 62 7.825 -14.558 -5.862 1.00 0.00 C ATOM 978 NE ARG A 62 8.864 -13.910 -6.660 1.00 0.00 N ATOM 979 CZ ARG A 62 9.336 -14.400 -7.804 1.00 0.00 C ATOM 980 NH1 ARG A 62 8.870 -15.544 -8.289 1.00 0.00 N ATOM 981 NH2 ARG A 62 10.278 -13.742 -8.466 1.00 0.00 N ATOM 0 H ARG A 62 4.299 -14.282 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 62 6.301 -12.788 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.233 -15.238 -3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.121 -14.308 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.780 -12.718 -5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.844 -13.204 -4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.267 -15.364 -5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.089 -15.013 -6.525 1.00 0.00 H new ATOM 0 HE ARG A 62 9.251 -13.030 -6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.145 -16.054 -7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.237 -15.913 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.640 -12.862 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.641 -14.116 -9.343 1.00 0.00 H new ATOM 995 N LEU A 63 4.354 -11.341 -3.015 1.00 0.00 N ATOM 996 CA LEU A 63 3.259 -10.416 -3.258 1.00 0.00 C ATOM 997 C LEU A 63 3.330 -9.836 -4.658 1.00 0.00 C ATOM 998 O LEU A 63 4.411 -9.648 -5.214 1.00 0.00 O ATOM 999 CB LEU A 63 3.282 -9.286 -2.234 1.00 0.00 C ATOM 1000 CG LEU A 63 2.773 -9.675 -0.851 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.286 -9.987 -0.907 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.552 -10.869 -0.321 1.00 0.00 C ATOM 0 H LEU A 63 5.186 -10.907 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 63 2.327 -10.973 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.304 -8.918 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.679 -8.460 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 63 2.924 -8.836 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.935 -10.263 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.742 -9.108 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.113 -10.814 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.179 -11.137 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.427 -11.714 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.609 -10.612 -0.253 1.00 0.00 H new ATOM 1014 N HIS A 64 2.166 -9.550 -5.219 1.00 0.00 N ATOM 1015 CA HIS A 64 2.079 -8.985 -6.550 1.00 0.00 C ATOM 1016 C HIS A 64 0.768 -8.226 -6.713 1.00 0.00 C ATOM 1017 O HIS A 64 -0.288 -8.829 -6.914 1.00 0.00 O ATOM 1018 CB HIS A 64 2.199 -10.094 -7.597 1.00 0.00 C ATOM 1019 CG HIS A 64 1.077 -11.085 -7.560 1.00 0.00 C ATOM 1020 ND1 HIS A 64 -0.027 -11.004 -8.383 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.892 -12.187 -6.794 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.842 -12.011 -8.125 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.307 -12.743 -7.165 1.00 0.00 N ATOM 0 H HIS A 64 1.264 -9.702 -4.767 1.00 0.00 H new ATOM 0 HA HIS A 64 2.900 -8.283 -6.695 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.240 -9.642 -8.588 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.142 -10.621 -7.448 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.563 -12.559 -6.033 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.785 -12.203 -8.615 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.718 -13.586 -6.764 1.00 0.00 H new ATOM 1032 N LEU A 65 0.830 -6.903 -6.615 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.368 -6.086 -6.749 1.00 0.00 C ATOM 1034 C LEU A 65 -0.920 -6.187 -8.163 1.00 0.00 C ATOM 1035 O LEU A 65 -2.128 -6.113 -8.385 1.00 0.00 O ATOM 1036 CB LEU A 65 -0.075 -4.627 -6.404 1.00 0.00 C ATOM 1037 CG LEU A 65 0.199 -4.365 -4.925 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.638 -4.713 -4.591 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -0.101 -2.916 -4.571 1.00 0.00 C ATOM 0 H LEU A 65 1.688 -6.378 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.114 -6.461 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.787 -4.297 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.922 -4.016 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.459 -5.000 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.822 -4.522 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.817 -5.766 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.310 -4.101 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.101 -2.751 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.530 -2.257 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.149 -2.700 -4.778 1.00 0.00 H new ATOM 1051 N ASN A 66 -0.011 -6.360 -9.106 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.367 -6.481 -10.515 1.00 0.00 C ATOM 1053 C ASN A 66 0.381 -7.646 -11.157 1.00 0.00 C ATOM 1054 O ASN A 66 1.207 -8.295 -10.515 1.00 0.00 O ATOM 1055 CB ASN A 66 -0.051 -5.183 -11.258 1.00 0.00 C ATOM 1056 CG ASN A 66 -1.049 -4.891 -12.362 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -2.244 -5.151 -12.220 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -0.562 -4.348 -13.472 1.00 0.00 N ATOM 0 H ASN A 66 0.990 -6.421 -8.922 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.438 -6.673 -10.583 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.044 -4.355 -10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.950 -5.246 -11.684 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.186 -4.130 -14.249 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.436 -4.149 -13.547 1.00 0.00 H new ATOM 1065 N GLU A 67 0.087 -7.906 -12.426 1.00 0.00 N ATOM 1066 CA GLU A 67 0.731 -8.997 -13.152 1.00 0.00 C ATOM 1067 C GLU A 67 2.130 -8.610 -13.633 1.00 0.00 C ATOM 1068 O GLU A 67 2.796 -9.395 -14.308 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.129 -9.416 -14.346 1.00 0.00 C ATOM 1070 CG GLU A 67 -1.450 -10.056 -13.948 1.00 0.00 C ATOM 1071 CD GLU A 67 -1.360 -11.566 -13.857 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -1.327 -12.224 -14.918 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -1.324 -12.091 -12.724 1.00 0.00 O ATOM 0 H GLU A 67 -0.592 -7.378 -12.974 1.00 0.00 H new ATOM 0 HA GLU A 67 0.833 -9.835 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.330 -8.541 -14.964 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.435 -10.117 -14.961 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.768 -9.656 -12.985 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.215 -9.784 -14.675 1.00 0.00 H new ATOM 1080 N ALA A 68 2.576 -7.403 -13.288 1.00 0.00 N ATOM 1081 CA ALA A 68 3.896 -6.937 -13.696 1.00 0.00 C ATOM 1082 C ALA A 68 4.779 -6.614 -12.491 1.00 0.00 C ATOM 1083 O ALA A 68 5.848 -6.021 -12.641 1.00 0.00 O ATOM 1084 CB ALA A 68 3.767 -5.718 -14.596 1.00 0.00 C ATOM 0 H ALA A 68 2.044 -6.735 -12.730 1.00 0.00 H new ATOM 0 HA ALA A 68 4.376 -7.744 -14.250 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.759 -5.379 -14.894 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.191 -5.980 -15.484 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.258 -4.919 -14.056 1.00 0.00 H new ATOM 1090 N VAL A 69 4.333 -7.001 -11.297 1.00 0.00 N ATOM 1091 CA VAL A 69 5.097 -6.743 -10.081 1.00 0.00 C ATOM 1092 C VAL A 69 4.984 -7.908 -9.100 1.00 0.00 C ATOM 1093 O VAL A 69 3.887 -8.265 -8.677 1.00 0.00 O ATOM 1094 CB VAL A 69 4.624 -5.446 -9.388 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.653 -4.280 -10.364 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.230 -5.624 -8.807 1.00 0.00 C ATOM 0 H VAL A 69 3.451 -7.492 -11.147 1.00 0.00 H new ATOM 0 HA VAL A 69 6.139 -6.628 -10.378 1.00 0.00 H new ATOM 0 HB VAL A 69 5.308 -5.226 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.317 -3.374 -9.859 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.670 -4.136 -10.729 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.993 -4.493 -11.205 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.916 -4.699 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.531 -5.871 -9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.242 -6.430 -8.074 1.00 0.00 H new ATOM 1106 N SER A 70 6.121 -8.494 -8.741 1.00 0.00 N ATOM 1107 CA SER A 70 6.137 -9.618 -7.809 1.00 0.00 C ATOM 1108 C SER A 70 7.294 -9.492 -6.820 1.00 0.00 C ATOM 1109 O SER A 70 8.420 -9.181 -7.206 1.00 0.00 O ATOM 1110 CB SER A 70 6.244 -10.939 -8.572 1.00 0.00 C ATOM 1111 OG SER A 70 5.718 -10.815 -9.881 1.00 0.00 O ATOM 0 H SER A 70 7.041 -8.211 -9.079 1.00 0.00 H new ATOM 0 HA SER A 70 5.202 -9.605 -7.248 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.288 -11.249 -8.624 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.706 -11.719 -8.033 1.00 0.00 H new ATOM 0 HG SER A 70 5.799 -11.672 -10.349 1.00 0.00 H new ATOM 1117 N PHE A 71 7.007 -9.736 -5.543 1.00 0.00 N ATOM 1118 CA PHE A 71 8.032 -9.647 -4.501 1.00 0.00 C ATOM 1119 C PHE A 71 7.684 -10.511 -3.294 1.00 0.00 C ATOM 1120 O PHE A 71 6.626 -10.362 -2.690 1.00 0.00 O ATOM 1121 CB PHE A 71 8.231 -8.192 -4.076 1.00 0.00 C ATOM 1122 CG PHE A 71 9.517 -7.603 -4.577 1.00 0.00 C ATOM 1123 CD1 PHE A 71 9.599 -7.070 -5.853 1.00 0.00 C ATOM 1124 CD2 PHE A 71 10.646 -7.587 -3.773 1.00 0.00 C ATOM 1125 CE1 PHE A 71 10.783 -6.531 -6.318 1.00 0.00 C ATOM 1126 CE2 PHE A 71 11.833 -7.050 -4.233 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.902 -6.520 -5.508 1.00 0.00 C ATOM 0 H PHE A 71 6.080 -9.995 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 71 8.964 -10.026 -4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.397 -7.595 -4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.210 -8.131 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.728 -7.076 -6.491 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.597 -7.999 -2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.834 -6.118 -7.315 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.706 -7.044 -3.597 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.828 -6.099 -5.870 1.00 0.00 H new ATOM 1137 N LEU A 72 8.609 -11.411 -2.964 1.00 0.00 N ATOM 1138 CA LEU A 72 8.478 -12.342 -1.837 1.00 0.00 C ATOM 1139 C LEU A 72 7.567 -11.820 -0.720 1.00 0.00 C ATOM 1140 O LEU A 72 6.773 -12.575 -0.159 1.00 0.00 O ATOM 1141 CB LEU A 72 9.863 -12.632 -1.265 1.00 0.00 C ATOM 1142 CG LEU A 72 10.784 -11.414 -1.190 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.550 -10.651 0.107 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.240 -11.840 -1.308 1.00 0.00 C ATOM 0 H LEU A 72 9.484 -11.518 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 72 8.013 -13.249 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.749 -13.048 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.342 -13.397 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 72 10.553 -10.752 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.213 -9.787 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.514 -10.316 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.755 -11.304 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.882 -10.961 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.487 -12.521 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.396 -12.343 -2.262 1.00 0.00 H new ATOM 1156 N SER A 73 7.692 -10.539 -0.392 1.00 0.00 N ATOM 1157 CA SER A 73 6.887 -9.941 0.670 1.00 0.00 C ATOM 1158 C SER A 73 6.531 -8.497 0.343 1.00 0.00 C ATOM 1159 O SER A 73 7.143 -7.881 -0.530 1.00 0.00 O ATOM 1160 CB SER A 73 7.639 -10.006 2.000 1.00 0.00 C ATOM 1161 OG SER A 73 6.745 -10.167 3.087 1.00 0.00 O ATOM 0 H SER A 73 8.341 -9.895 -0.844 1.00 0.00 H new ATOM 0 HA SER A 73 5.961 -10.509 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.346 -10.836 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.221 -9.095 2.136 1.00 0.00 H new ATOM 0 HG SER A 73 7.252 -10.207 3.925 1.00 0.00 H new ATOM 1167 N LEU A 74 5.537 -7.954 1.046 1.00 0.00 N ATOM 1168 CA LEU A 74 5.119 -6.578 0.815 1.00 0.00 C ATOM 1169 C LEU A 74 6.287 -5.614 1.018 1.00 0.00 C ATOM 1170 O LEU A 74 6.635 -4.858 0.116 1.00 0.00 O ATOM 1171 CB LEU A 74 3.957 -6.176 1.724 1.00 0.00 C ATOM 1172 CG LEU A 74 2.635 -5.880 1.000 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.873 -5.475 -0.451 1.00 0.00 C ATOM 1174 CD2 LEU A 74 1.698 -7.077 1.088 1.00 0.00 C ATOM 0 H LEU A 74 5.013 -8.443 1.772 1.00 0.00 H new ATOM 0 HA LEU A 74 4.779 -6.519 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.787 -6.975 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.249 -5.292 2.291 1.00 0.00 H new ATOM 0 HG LEU A 74 2.160 -5.036 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.917 -5.273 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.492 -4.578 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.381 -6.284 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.767 -6.849 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.169 -7.943 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.486 -7.297 2.134 1.00 0.00 H new ATOM 1186 N PRO A 75 6.912 -5.626 2.215 1.00 0.00 N ATOM 1187 CA PRO A 75 8.042 -4.751 2.531 1.00 0.00 C ATOM 1188 C PRO A 75 9.031 -4.648 1.374 1.00 0.00 C ATOM 1189 O PRO A 75 9.361 -3.550 0.923 1.00 0.00 O ATOM 1190 CB PRO A 75 8.701 -5.420 3.751 1.00 0.00 C ATOM 1191 CG PRO A 75 7.911 -6.664 4.024 1.00 0.00 C ATOM 1192 CD PRO A 75 6.578 -6.482 3.357 1.00 0.00 C ATOM 0 HA PRO A 75 7.719 -3.728 2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.745 -5.659 3.547 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.689 -4.754 4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.424 -7.542 3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.790 -6.818 5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.149 -7.433 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.853 -6.010 4.020 1.00 0.00 H new ATOM 1200 N GLU A 76 9.487 -5.795 0.881 1.00 0.00 N ATOM 1201 CA GLU A 76 10.420 -5.815 -0.238 1.00 0.00 C ATOM 1202 C GLU A 76 9.723 -5.306 -1.491 1.00 0.00 C ATOM 1203 O GLU A 76 10.291 -4.544 -2.275 1.00 0.00 O ATOM 1204 CB GLU A 76 10.952 -7.228 -0.470 1.00 0.00 C ATOM 1205 CG GLU A 76 11.647 -7.826 0.744 1.00 0.00 C ATOM 1206 CD GLU A 76 12.693 -6.899 1.335 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.225 -6.052 0.588 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.978 -7.022 2.545 1.00 0.00 O ATOM 0 H GLU A 76 9.228 -6.716 1.236 1.00 0.00 H new ATOM 0 HA GLU A 76 11.264 -5.166 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.124 -7.875 -0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.651 -7.211 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.903 -8.060 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.119 -8.767 0.461 1.00 0.00 H new ATOM 1215 N LEU A 77 8.474 -5.725 -1.655 1.00 0.00 N ATOM 1216 CA LEU A 77 7.668 -5.310 -2.793 1.00 0.00 C ATOM 1217 C LEU A 77 7.573 -3.791 -2.845 1.00 0.00 C ATOM 1218 O LEU A 77 7.859 -3.173 -3.870 1.00 0.00 O ATOM 1219 CB LEU A 77 6.267 -5.923 -2.687 1.00 0.00 C ATOM 1220 CG LEU A 77 5.170 -5.214 -3.485 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.027 -6.172 -3.765 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.670 -3.980 -2.738 1.00 0.00 C ATOM 0 H LEU A 77 7.997 -6.355 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 77 8.142 -5.660 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.318 -6.960 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.975 -5.937 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 77 5.589 -4.885 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.252 -5.658 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.396 -7.021 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.611 -6.527 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.891 -3.491 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.264 -4.279 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.497 -3.287 -2.585 1.00 0.00 H new ATOM 1234 N VAL A 78 7.169 -3.197 -1.724 1.00 0.00 N ATOM 1235 CA VAL A 78 7.037 -1.753 -1.633 1.00 0.00 C ATOM 1236 C VAL A 78 8.307 -1.075 -2.128 1.00 0.00 C ATOM 1237 O VAL A 78 8.256 -0.013 -2.746 1.00 0.00 O ATOM 1238 CB VAL A 78 6.726 -1.298 -0.194 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.633 0.217 -0.118 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.434 -1.937 0.301 1.00 0.00 C ATOM 0 H VAL A 78 6.928 -3.697 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 78 6.199 -1.460 -2.266 1.00 0.00 H new ATOM 0 HB VAL A 78 7.542 -1.624 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.413 0.517 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.581 0.656 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.838 0.566 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.230 -1.604 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.610 -1.642 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.536 -3.022 0.288 1.00 0.00 H new ATOM 1250 N ASN A 79 9.446 -1.714 -1.877 1.00 0.00 N ATOM 1251 CA ASN A 79 10.723 -1.182 -2.328 1.00 0.00 C ATOM 1252 C ASN A 79 10.702 -1.047 -3.845 1.00 0.00 C ATOM 1253 O ASN A 79 11.185 -0.062 -4.406 1.00 0.00 O ATOM 1254 CB ASN A 79 11.870 -2.097 -1.892 1.00 0.00 C ATOM 1255 CG ASN A 79 13.053 -1.320 -1.344 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.681 -0.538 -2.058 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.361 -1.533 -0.070 1.00 0.00 N ATOM 0 H ASN A 79 9.509 -2.595 -1.367 1.00 0.00 H new ATOM 0 HA ASN A 79 10.882 -0.202 -1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.510 -2.790 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.195 -2.698 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.146 -1.039 0.354 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.812 -2.191 0.484 1.00 0.00 H new ATOM 1264 N TYR A 80 10.104 -2.039 -4.501 1.00 0.00 N ATOM 1265 CA TYR A 80 9.982 -2.030 -5.952 1.00 0.00 C ATOM 1266 C TYR A 80 8.895 -1.049 -6.369 1.00 0.00 C ATOM 1267 O TYR A 80 8.966 -0.434 -7.434 1.00 0.00 O ATOM 1268 CB TYR A 80 9.657 -3.432 -6.468 1.00 0.00 C ATOM 1269 CG TYR A 80 9.461 -3.500 -7.966 1.00 0.00 C ATOM 1270 CD1 TYR A 80 8.217 -3.262 -8.536 1.00 0.00 C ATOM 1271 CD2 TYR A 80 10.522 -3.802 -8.811 1.00 0.00 C ATOM 1272 CE1 TYR A 80 8.035 -3.324 -9.904 1.00 0.00 C ATOM 1273 CE2 TYR A 80 10.348 -3.866 -10.180 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.103 -3.626 -10.722 1.00 0.00 C ATOM 1275 OH TYR A 80 8.926 -3.689 -12.085 1.00 0.00 O ATOM 0 H TYR A 80 9.697 -2.858 -4.049 1.00 0.00 H new ATOM 0 HA TYR A 80 10.931 -1.716 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.463 -4.109 -6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.753 -3.790 -5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.378 -3.024 -7.899 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.499 -3.990 -8.391 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.061 -3.137 -10.331 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.183 -4.103 -10.823 1.00 0.00 H new ATOM 0 HH TYR A 80 9.778 -3.912 -12.516 1.00 0.00 H new ATOM 1285 N HIS A 81 7.892 -0.902 -5.508 1.00 0.00 N ATOM 1286 CA HIS A 81 6.788 0.010 -5.762 1.00 0.00 C ATOM 1287 C HIS A 81 7.235 1.454 -5.559 1.00 0.00 C ATOM 1288 O HIS A 81 6.692 2.373 -6.172 1.00 0.00 O ATOM 1289 CB HIS A 81 5.612 -0.307 -4.831 1.00 0.00 C ATOM 1290 CG HIS A 81 4.455 -0.967 -5.516 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.219 -0.858 -6.869 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.466 -1.754 -5.027 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.141 -1.549 -7.184 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.665 -2.103 -6.086 1.00 0.00 N ATOM 0 H HIS A 81 7.824 -1.407 -4.624 1.00 0.00 H new ATOM 0 HA HIS A 81 6.466 -0.118 -6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.962 -0.954 -4.027 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.268 0.618 -4.369 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.790 -0.325 -7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.333 -2.051 -3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.719 -1.645 -8.174 1.00 0.00 H new ATOM 1303 N ARG A 82 8.227 1.647 -4.693 1.00 0.00 N ATOM 1304 CA ARG A 82 8.739 2.982 -4.415 1.00 0.00 C ATOM 1305 C ARG A 82 9.595 3.482 -5.559 1.00 0.00 C ATOM 1306 O ARG A 82 9.658 4.679 -5.827 1.00 0.00 O ATOM 1307 CB ARG A 82 9.536 3.002 -3.111 1.00 0.00 C ATOM 1308 CG ARG A 82 10.233 4.330 -2.851 1.00 0.00 C ATOM 1309 CD ARG A 82 10.852 4.379 -1.463 1.00 0.00 C ATOM 1310 NE ARG A 82 12.108 5.126 -1.454 1.00 0.00 N ATOM 1311 CZ ARG A 82 12.562 5.806 -0.404 1.00 0.00 C ATOM 1312 NH1 ARG A 82 11.878 5.828 0.734 1.00 0.00 N ATOM 1313 NH2 ARG A 82 13.710 6.466 -0.490 1.00 0.00 N ATOM 0 H ARG A 82 8.689 0.899 -4.175 1.00 0.00 H new ATOM 0 HA ARG A 82 7.884 3.649 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.865 2.783 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.282 2.207 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.008 4.487 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.516 5.144 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.150 4.840 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.031 3.364 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 82 12.671 5.126 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.996 5.321 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.234 6.352 1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.243 6.452 -1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.060 6.988 0.314 1.00 0.00 H new ATOM 1327 N ALA A 83 10.234 2.560 -6.238 1.00 0.00 N ATOM 1328 CA ALA A 83 11.064 2.905 -7.371 1.00 0.00 C ATOM 1329 C ALA A 83 10.173 3.188 -8.566 1.00 0.00 C ATOM 1330 O ALA A 83 10.104 4.311 -9.059 1.00 0.00 O ATOM 1331 CB ALA A 83 12.043 1.781 -7.682 1.00 0.00 C ATOM 0 H ALA A 83 10.196 1.563 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 83 11.648 3.795 -7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.658 2.060 -8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.683 1.606 -6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.490 0.871 -7.915 1.00 0.00 H new ATOM 1337 N GLN A 84 9.476 2.153 -9.008 1.00 0.00 N ATOM 1338 CA GLN A 84 8.553 2.263 -10.129 1.00 0.00 C ATOM 1339 C GLN A 84 7.112 2.428 -9.649 1.00 0.00 C ATOM 1340 O GLN A 84 6.730 1.889 -8.611 1.00 0.00 O ATOM 1341 CB GLN A 84 8.669 1.036 -11.038 1.00 0.00 C ATOM 1342 CG GLN A 84 8.986 1.380 -12.484 1.00 0.00 C ATOM 1343 CD GLN A 84 9.514 0.191 -13.262 1.00 0.00 C ATOM 1344 OE1 GLN A 84 8.809 -0.388 -14.087 1.00 0.00 O ATOM 1345 NE2 GLN A 84 10.763 -0.179 -13.001 1.00 0.00 N ATOM 0 H GLN A 84 9.533 1.218 -8.604 1.00 0.00 H new ATOM 0 HA GLN A 84 8.824 3.153 -10.697 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.447 0.379 -10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.734 0.478 -11.002 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.086 1.757 -12.970 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.723 2.183 -12.510 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.312 0.330 -12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.173 -0.973 -13.493 1.00 0.00 H new ATOM 1354 N SER A 85 6.307 3.141 -10.430 1.00 0.00 N ATOM 1355 CA SER A 85 4.897 3.332 -10.103 1.00 0.00 C ATOM 1356 C SER A 85 4.044 2.293 -10.834 1.00 0.00 C ATOM 1357 O SER A 85 2.832 2.458 -10.979 1.00 0.00 O ATOM 1358 CB SER A 85 4.444 4.743 -10.483 1.00 0.00 C ATOM 1359 OG SER A 85 5.332 5.331 -11.417 1.00 0.00 O ATOM 0 H SER A 85 6.606 3.596 -11.293 1.00 0.00 H new ATOM 0 HA SER A 85 4.770 3.205 -9.028 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.440 4.704 -10.906 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.389 5.364 -9.589 1.00 0.00 H new ATOM 0 HG SER A 85 5.019 6.231 -11.644 1.00 0.00 H new ATOM 1365 N LEU A 86 4.695 1.225 -11.307 1.00 0.00 N ATOM 1366 CA LEU A 86 4.019 0.155 -12.038 1.00 0.00 C ATOM 1367 C LEU A 86 2.725 -0.267 -11.352 1.00 0.00 C ATOM 1368 O LEU A 86 2.730 -0.683 -10.193 1.00 0.00 O ATOM 1369 CB LEU A 86 4.947 -1.054 -12.177 1.00 0.00 C ATOM 1370 CG LEU A 86 4.794 -1.844 -13.477 1.00 0.00 C ATOM 1371 CD1 LEU A 86 6.036 -2.681 -13.742 1.00 0.00 C ATOM 1372 CD2 LEU A 86 3.555 -2.726 -13.422 1.00 0.00 C ATOM 0 H LEU A 86 5.698 1.081 -11.194 1.00 0.00 H new ATOM 0 HA LEU A 86 3.766 0.540 -13.026 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.979 -0.711 -12.098 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.769 -1.727 -11.338 1.00 0.00 H new ATOM 0 HG LEU A 86 4.676 -1.137 -14.298 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.909 -3.236 -14.671 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.904 -2.027 -13.826 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.186 -3.380 -12.919 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.462 -3.281 -14.355 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.643 -3.426 -12.591 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.671 -2.104 -13.280 1.00 0.00 H new ATOM 1384 N SER A 87 1.618 -0.159 -12.080 1.00 0.00 N ATOM 1385 CA SER A 87 0.310 -0.531 -11.551 1.00 0.00 C ATOM 1386 C SER A 87 0.072 0.099 -10.181 1.00 0.00 C ATOM 1387 O SER A 87 -0.691 -0.424 -9.371 1.00 0.00 O ATOM 1388 CB SER A 87 0.190 -2.053 -11.451 1.00 0.00 C ATOM 1389 OG SER A 87 -1.134 -2.441 -11.129 1.00 0.00 O ATOM 0 H SER A 87 1.601 0.184 -13.040 1.00 0.00 H new ATOM 0 HA SER A 87 -0.448 -0.156 -12.238 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.485 -2.507 -12.397 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.876 -2.426 -10.691 1.00 0.00 H new ATOM 0 HG SER A 87 -1.441 -1.939 -10.345 1.00 0.00 H new ATOM 1395 N HIS A 88 0.732 1.225 -9.932 1.00 0.00 N ATOM 1396 CA HIS A 88 0.590 1.924 -8.665 1.00 0.00 C ATOM 1397 C HIS A 88 0.628 3.435 -8.884 1.00 0.00 C ATOM 1398 O HIS A 88 1.587 3.972 -9.439 1.00 0.00 O ATOM 1399 CB HIS A 88 1.685 1.481 -7.692 1.00 0.00 C ATOM 1400 CG HIS A 88 1.373 1.793 -6.264 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.247 2.977 -5.625 1.00 0.00 N flip ATOM 1402 CD2 HIS A 88 1.149 0.820 -5.313 1.00 0.00 C flip ATOM 1403 CE1 HIS A 88 0.949 2.704 -4.316 1.00 0.00 C flip ATOM 1404 NE2 HIS A 88 0.894 1.397 -4.153 1.00 0.00 N flip ATOM 0 H HIS A 88 1.369 1.671 -10.592 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.376 1.671 -8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.840 0.407 -7.796 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.622 1.966 -7.966 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.354 3.902 -6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.178 -0.245 -5.489 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.786 3.440 -3.543 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.444 4.101 -8.463 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.573 5.543 -8.626 1.00 0.00 C ATOM 1415 C GLY A 89 0.727 6.321 -8.476 1.00 0.00 C ATOM 1416 O GLY A 89 1.119 7.058 -9.380 1.00 0.00 O ATOM 0 H GLY A 89 -1.240 3.659 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.991 5.747 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.289 5.915 -7.893 1.00 0.00 H new ATOM 1420 N LEU A 90 1.382 6.178 -7.331 1.00 0.00 N ATOM 1421 CA LEU A 90 2.624 6.896 -7.068 1.00 0.00 C ATOM 1422 C LEU A 90 3.658 5.990 -6.411 1.00 0.00 C ATOM 1423 O LEU A 90 3.337 4.901 -5.933 1.00 0.00 O ATOM 1424 CB LEU A 90 2.345 8.101 -6.164 1.00 0.00 C ATOM 1425 CG LEU A 90 2.683 9.470 -6.761 1.00 0.00 C ATOM 1426 CD1 LEU A 90 1.440 10.114 -7.357 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.301 10.376 -5.705 1.00 0.00 C ATOM 0 H LEU A 90 1.075 5.572 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 90 3.027 7.237 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.289 8.093 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.911 7.978 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 90 3.412 9.327 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.699 11.086 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.040 9.474 -8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.688 10.244 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.534 11.344 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.596 10.513 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.216 9.921 -5.325 1.00 0.00 H new ATOM 1439 N ARG A 91 4.900 6.454 -6.385 1.00 0.00 N ATOM 1440 CA ARG A 91 5.988 5.699 -5.781 1.00 0.00 C ATOM 1441 C ARG A 91 5.905 5.746 -4.256 1.00 0.00 C ATOM 1442 O ARG A 91 5.890 6.822 -3.657 1.00 0.00 O ATOM 1443 CB ARG A 91 7.334 6.252 -6.246 1.00 0.00 C ATOM 1444 CG ARG A 91 7.796 5.693 -7.579 1.00 0.00 C ATOM 1445 CD ARG A 91 8.875 6.564 -8.197 1.00 0.00 C ATOM 1446 NE ARG A 91 10.085 6.610 -7.380 1.00 0.00 N ATOM 1447 CZ ARG A 91 11.266 7.028 -7.829 1.00 0.00 C ATOM 1448 NH1 ARG A 91 11.402 7.434 -9.086 1.00 0.00 N ATOM 1449 NH2 ARG A 91 12.317 7.040 -7.019 1.00 0.00 N ATOM 0 H ARG A 91 5.179 7.353 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 91 5.898 4.660 -6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.264 7.337 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.088 6.033 -5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.178 4.682 -7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.948 5.622 -8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.123 6.184 -9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.491 7.575 -8.330 1.00 0.00 H new ATOM 0 HE ARG A 91 10.021 6.304 -6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.598 7.427 -9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.310 7.753 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.220 6.729 -6.053 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.222 7.360 -7.363 1.00 0.00 H new ATOM 1463 N LEU A 92 5.853 4.571 -3.639 1.00 0.00 N ATOM 1464 CA LEU A 92 5.774 4.463 -2.185 1.00 0.00 C ATOM 1465 C LEU A 92 6.972 5.127 -1.526 1.00 0.00 C ATOM 1466 O LEU A 92 8.012 4.510 -1.307 1.00 0.00 O ATOM 1467 CB LEU A 92 5.656 3.000 -1.798 1.00 0.00 C ATOM 1468 CG LEU A 92 4.518 2.290 -2.521 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.384 0.848 -2.061 1.00 0.00 C ATOM 1470 CD2 LEU A 92 3.208 3.044 -2.326 1.00 0.00 C ATOM 0 H LEU A 92 5.864 3.674 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 92 4.888 4.988 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.595 2.493 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.500 2.925 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 92 4.754 2.276 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.563 0.370 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.311 0.313 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.181 0.825 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.407 2.522 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.973 3.097 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.306 4.053 -2.726 1.00 0.00 H new ATOM 1482 N ALA A 93 6.807 6.410 -1.242 1.00 0.00 N ATOM 1483 CA ALA A 93 7.866 7.219 -0.637 1.00 0.00 C ATOM 1484 C ALA A 93 7.905 7.101 0.887 1.00 0.00 C ATOM 1485 O ALA A 93 8.698 6.335 1.436 1.00 0.00 O ATOM 1486 CB ALA A 93 7.704 8.676 -1.047 1.00 0.00 C ATOM 0 H ALA A 93 5.943 6.921 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 93 8.816 6.833 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.496 9.272 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.765 8.758 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.735 9.043 -0.710 1.00 0.00 H new ATOM 1492 N ALA A 94 7.060 7.874 1.569 1.00 0.00 N ATOM 1493 CA ALA A 94 7.019 7.863 3.030 1.00 0.00 C ATOM 1494 C ALA A 94 5.834 7.051 3.558 1.00 0.00 C ATOM 1495 O ALA A 94 5.070 6.483 2.783 1.00 0.00 O ATOM 1496 CB ALA A 94 6.958 9.291 3.553 1.00 0.00 C ATOM 0 H ALA A 94 6.396 8.514 1.134 1.00 0.00 H new ATOM 0 HA ALA A 94 7.929 7.383 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.928 9.278 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.840 9.838 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.062 9.781 3.171 1.00 0.00 H new ATOM 1502 N PRO A 95 5.673 6.981 4.895 1.00 0.00 N ATOM 1503 CA PRO A 95 4.588 6.238 5.526 1.00 0.00 C ATOM 1504 C PRO A 95 3.354 7.103 5.763 1.00 0.00 C ATOM 1505 O PRO A 95 3.446 8.329 5.819 1.00 0.00 O ATOM 1506 CB PRO A 95 5.208 5.832 6.858 1.00 0.00 C ATOM 1507 CG PRO A 95 6.123 6.962 7.207 1.00 0.00 C ATOM 1508 CD PRO A 95 6.542 7.612 5.906 1.00 0.00 C ATOM 0 HA PRO A 95 4.237 5.407 4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.445 5.689 7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.753 4.892 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.618 7.681 7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.993 6.599 7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.400 8.692 5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.596 7.435 5.693 1.00 0.00 H new ATOM 1516 N CYS A 96 2.202 6.458 5.911 1.00 0.00 N ATOM 1517 CA CYS A 96 0.957 7.177 6.152 1.00 0.00 C ATOM 1518 C CYS A 96 0.969 7.827 7.532 1.00 0.00 C ATOM 1519 O CYS A 96 1.877 7.592 8.330 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.240 6.230 6.029 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.299 4.946 7.302 1.00 0.00 S ATOM 0 H CYS A 96 2.105 5.444 5.869 1.00 0.00 H new ATOM 0 HA CYS A 96 0.865 7.960 5.399 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.159 6.815 6.075 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.214 5.754 5.049 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.346 4.198 7.116 1.00 0.00 H new ATOM 1527 N ARG A 97 -0.042 8.644 7.809 1.00 0.00 N ATOM 1528 CA ARG A 97 -0.142 9.325 9.096 1.00 0.00 C ATOM 1529 C ARG A 97 -1.551 9.863 9.322 1.00 0.00 C ATOM 1530 O ARG A 97 -2.386 9.843 8.417 1.00 0.00 O ATOM 1531 CB ARG A 97 0.873 10.468 9.171 1.00 0.00 C ATOM 1532 CG ARG A 97 2.203 10.062 9.786 1.00 0.00 C ATOM 1533 CD ARG A 97 3.013 11.275 10.214 1.00 0.00 C ATOM 1534 NE ARG A 97 4.093 10.917 11.129 1.00 0.00 N ATOM 1535 CZ ARG A 97 3.917 10.687 12.429 1.00 0.00 C ATOM 1536 NH1 ARG A 97 2.708 10.776 12.969 1.00 0.00 N ATOM 1537 NH2 ARG A 97 4.955 10.366 13.191 1.00 0.00 N ATOM 0 H ARG A 97 -0.802 8.851 7.161 1.00 0.00 H new ATOM 0 HA ARG A 97 0.078 8.600 9.880 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.049 10.853 8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.446 11.284 9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.025 9.419 10.648 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.775 9.477 9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.431 11.761 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.355 11.999 10.695 1.00 0.00 H new ATOM 0 HE ARG A 97 5.037 10.838 10.751 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.907 11.022 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.580 10.599 13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.886 10.296 12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.822 10.190 14.187 1.00 0.00 H new