USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 681 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.655 K(o=-0.65,f=-2.5) USER MOD Single : A 5 THR OG1 : rot -140:sc= -0.551 USER MOD Single : A 10 LYS NZ :NH3+ -147:sc= -0.231 (180deg=-1.21!) USER MOD Single : A 14 SER OG : rot -100:sc= -0.12 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00444) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -3.57! C(o=-3.6!,f=-4.3!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 36 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.053) USER MOD Single : A 37 SER OG : rot 104:sc= -1.8 USER MOD Single : A 38 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.94) USER MOD Single : A 44 GLN : amide:sc= -0.981 K(o=-0.98,f=-2) USER MOD Single : A 47 MET CE :methyl 157:sc= -0.0143 (180deg=-0.31) USER MOD Single : A 48 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.8!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -61:sc= 0.799 USER MOD Single : A 68 ASN : amide:sc= -3.83! C(o=-3.8!,f=-16!) USER MOD Single : A 75 THR OG1 : rot 57:sc= 1.22 USER MOD Single : A 76 GLN : amide:sc= -7.48! C(o=-7.5!,f=-12!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N VAL A 3 -4.821 -17.946 17.816 1.00 0.00 N ATOM 28 CA VAL A 3 -3.944 -18.396 16.741 1.00 0.00 C ATOM 29 C VAL A 3 -2.508 -17.957 17.009 1.00 0.00 C ATOM 30 O VAL A 3 -1.568 -18.735 16.842 1.00 0.00 O ATOM 31 CB VAL A 3 -4.417 -17.819 15.405 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.429 -18.204 14.300 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.801 -18.377 15.069 1.00 0.00 C ATOM 0 HA VAL A 3 -3.979 -19.485 16.697 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.471 -16.733 15.479 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.768 -17.792 13.349 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.443 -17.804 14.538 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.372 -19.290 14.225 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.138 -17.966 14.117 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.748 -19.463 14.996 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.505 -18.100 15.853 1.00 0.00 H new ATOM 43 N TRP A 4 -2.348 -16.704 17.421 1.00 0.00 N ATOM 44 CA TRP A 4 -1.024 -16.160 17.707 1.00 0.00 C ATOM 45 C TRP A 4 -0.580 -16.527 19.118 1.00 0.00 C ATOM 46 O TRP A 4 -1.345 -16.404 20.075 1.00 0.00 O ATOM 47 CB TRP A 4 -1.046 -14.636 17.560 1.00 0.00 C ATOM 48 CG TRP A 4 -2.241 -14.090 18.273 1.00 0.00 C ATOM 49 CD1 TRP A 4 -3.503 -14.086 17.784 1.00 0.00 C ATOM 50 CD2 TRP A 4 -2.311 -13.467 19.589 1.00 0.00 C ATOM 51 NE1 TRP A 4 -4.343 -13.506 18.717 1.00 0.00 N ATOM 52 CE2 TRP A 4 -3.654 -13.106 19.846 1.00 0.00 C ATOM 53 CE3 TRP A 4 -1.348 -13.185 20.574 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -4.031 -12.486 21.038 1.00 0.00 C ATOM 55 CZ3 TRP A 4 -1.722 -12.560 21.776 1.00 0.00 C ATOM 56 CH2 TRP A 4 -3.061 -12.213 22.007 1.00 0.00 C ATOM 0 H TRP A 4 -3.115 -16.047 17.564 1.00 0.00 H new ATOM 0 HA TRP A 4 -0.317 -16.588 16.996 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -0.134 -14.206 17.973 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.080 -14.361 16.506 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.805 -14.473 16.822 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.348 -13.388 18.588 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.315 -13.450 20.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.063 -12.219 21.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.974 -12.346 22.526 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -3.343 -11.735 22.933 1.00 0.00 H new ATOM 67 N THR A 5 0.669 -16.963 19.237 1.00 0.00 N ATOM 68 CA THR A 5 1.230 -17.333 20.530 1.00 0.00 C ATOM 69 C THR A 5 2.753 -17.217 20.496 1.00 0.00 C ATOM 70 O THR A 5 3.464 -18.119 20.938 1.00 0.00 O ATOM 71 CB THR A 5 0.825 -18.767 20.887 1.00 0.00 C ATOM 72 OG1 THR A 5 -0.530 -18.979 20.521 1.00 0.00 O ATOM 73 CG2 THR A 5 0.986 -18.993 22.391 1.00 0.00 C ATOM 0 H THR A 5 1.312 -17.069 18.453 1.00 0.00 H new ATOM 0 HA THR A 5 0.840 -16.654 21.288 1.00 0.00 H new ATOM 0 HB THR A 5 1.465 -19.466 20.348 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.976 -19.511 21.212 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.696 -20.014 22.639 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.026 -18.832 22.674 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.350 -18.294 22.934 1.00 0.00 H new ATOM 81 N PRO A 6 3.261 -16.124 19.985 1.00 0.00 N ATOM 82 CA PRO A 6 4.733 -15.874 19.893 1.00 0.00 C ATOM 83 C PRO A 6 5.367 -15.705 21.272 1.00 0.00 C ATOM 84 O PRO A 6 4.693 -15.804 22.296 1.00 0.00 O ATOM 85 CB PRO A 6 4.828 -14.577 19.069 1.00 0.00 C ATOM 86 CG PRO A 6 3.527 -13.884 19.305 1.00 0.00 C ATOM 87 CD PRO A 6 2.488 -14.994 19.434 1.00 0.00 C ATOM 0 HA PRO A 6 5.270 -16.706 19.438 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.668 -13.963 19.392 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.977 -14.790 18.010 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.565 -13.276 20.209 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.284 -13.214 18.480 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.672 -14.705 20.096 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.044 -15.243 18.470 1.00 0.00 H new ATOM 95 N GLU A 7 6.669 -15.451 21.288 1.00 0.00 N ATOM 96 CA GLU A 7 7.390 -15.266 22.542 1.00 0.00 C ATOM 97 C GLU A 7 6.599 -14.363 23.486 1.00 0.00 C ATOM 98 O GLU A 7 6.867 -14.318 24.687 1.00 0.00 O ATOM 99 CB GLU A 7 8.761 -14.646 22.274 1.00 0.00 C ATOM 100 CG GLU A 7 9.629 -15.647 21.512 1.00 0.00 C ATOM 101 CD GLU A 7 10.983 -15.025 21.191 1.00 0.00 C ATOM 102 OE1 GLU A 7 11.006 -13.865 20.815 1.00 0.00 O ATOM 103 OE2 GLU A 7 11.978 -15.717 21.328 1.00 0.00 O ATOM 0 H GLU A 7 7.246 -15.368 20.451 1.00 0.00 H new ATOM 0 HA GLU A 7 7.519 -16.242 23.010 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.651 -13.729 21.696 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.240 -14.374 23.215 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.766 -16.549 22.108 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.130 -15.946 20.591 1.00 0.00 H new ATOM 110 N VAL A 8 5.629 -13.636 22.935 1.00 0.00 N ATOM 111 CA VAL A 8 4.818 -12.732 23.743 1.00 0.00 C ATOM 112 C VAL A 8 4.240 -13.480 24.940 1.00 0.00 C ATOM 113 O VAL A 8 4.240 -12.973 26.060 1.00 0.00 O ATOM 114 CB VAL A 8 3.674 -12.144 22.900 1.00 0.00 C ATOM 115 CG1 VAL A 8 2.603 -13.212 22.643 1.00 0.00 C ATOM 116 CG2 VAL A 8 3.045 -10.968 23.647 1.00 0.00 C ATOM 0 H VAL A 8 5.388 -13.655 21.944 1.00 0.00 H new ATOM 0 HA VAL A 8 5.451 -11.919 24.098 1.00 0.00 H new ATOM 0 HB VAL A 8 4.076 -11.804 21.945 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.798 -12.784 22.045 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.047 -14.051 22.107 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.202 -13.561 23.594 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.234 -10.550 23.051 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.652 -11.313 24.603 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.800 -10.201 23.820 1.00 0.00 H new ATOM 126 N LEU A 9 3.757 -14.696 24.693 1.00 0.00 N ATOM 127 CA LEU A 9 3.190 -15.506 25.763 1.00 0.00 C ATOM 128 C LEU A 9 4.262 -15.810 26.801 1.00 0.00 C ATOM 129 O LEU A 9 4.022 -15.724 28.005 1.00 0.00 O ATOM 130 CB LEU A 9 2.631 -16.816 25.193 1.00 0.00 C ATOM 131 CG LEU A 9 2.059 -17.692 26.321 1.00 0.00 C ATOM 132 CD1 LEU A 9 0.964 -16.930 27.085 1.00 0.00 C ATOM 133 CD2 LEU A 9 1.467 -18.968 25.712 1.00 0.00 C ATOM 0 H LEU A 9 3.747 -15.136 23.773 1.00 0.00 H new ATOM 0 HA LEU A 9 2.379 -14.952 26.235 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.852 -16.599 24.462 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.418 -17.357 24.668 1.00 0.00 H new ATOM 0 HG LEU A 9 2.858 -17.948 27.017 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.568 -17.562 27.880 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.386 -16.023 27.518 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.160 -16.664 26.399 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.059 -19.595 26.505 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.673 -18.703 25.014 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.248 -19.515 25.183 1.00 0.00 H new ATOM 145 N LYS A 10 5.453 -16.156 26.321 1.00 0.00 N ATOM 146 CA LYS A 10 6.566 -16.461 27.210 1.00 0.00 C ATOM 147 C LYS A 10 6.926 -15.243 28.043 1.00 0.00 C ATOM 148 O LYS A 10 7.209 -15.357 29.231 1.00 0.00 O ATOM 149 CB LYS A 10 7.782 -16.910 26.399 1.00 0.00 C ATOM 150 CG LYS A 10 8.949 -17.208 27.349 1.00 0.00 C ATOM 151 CD LYS A 10 10.103 -17.877 26.578 1.00 0.00 C ATOM 152 CE LYS A 10 9.924 -19.399 26.581 1.00 0.00 C ATOM 153 NZ LYS A 10 9.964 -19.899 27.986 1.00 0.00 N ATOM 0 H LYS A 10 5.670 -16.232 25.327 1.00 0.00 H new ATOM 0 HA LYS A 10 6.264 -17.269 27.877 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.537 -17.799 25.817 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.066 -16.133 25.689 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.297 -16.284 27.810 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.614 -17.860 28.155 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.128 -17.508 25.553 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.057 -17.614 27.035 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.975 -19.666 26.115 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.712 -19.870 25.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.393 -20.846 28.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.530 -19.251 28.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.997 -19.949 28.364 1.00 0.00 H new ATOM 167 N ALA A 11 6.914 -14.077 27.414 1.00 0.00 N ATOM 168 CA ALA A 11 7.242 -12.847 28.120 1.00 0.00 C ATOM 169 C ALA A 11 6.239 -12.598 29.241 1.00 0.00 C ATOM 170 O ALA A 11 6.607 -12.150 30.327 1.00 0.00 O ATOM 171 CB ALA A 11 7.228 -11.668 27.146 1.00 0.00 C ATOM 0 H ALA A 11 6.684 -13.956 26.428 1.00 0.00 H new ATOM 0 HA ALA A 11 8.238 -12.947 28.552 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.474 -10.751 27.681 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.963 -11.837 26.359 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.237 -11.574 26.703 1.00 0.00 H new ATOM 177 N ARG A 12 4.970 -12.889 28.969 1.00 0.00 N ATOM 178 CA ARG A 12 3.923 -12.687 29.965 1.00 0.00 C ATOM 179 C ARG A 12 4.149 -13.587 31.177 1.00 0.00 C ATOM 180 O ARG A 12 4.149 -13.122 32.317 1.00 0.00 O ATOM 181 CB ARG A 12 2.556 -13.005 29.350 1.00 0.00 C ATOM 182 CG ARG A 12 1.426 -12.521 30.283 1.00 0.00 C ATOM 183 CD ARG A 12 1.059 -11.070 29.952 1.00 0.00 C ATOM 184 NE ARG A 12 0.438 -11.001 28.634 1.00 0.00 N ATOM 185 CZ ARG A 12 0.272 -9.839 28.011 1.00 0.00 C ATOM 186 NH1 ARG A 12 0.676 -8.733 28.574 1.00 0.00 N ATOM 187 NH2 ARG A 12 -0.294 -9.806 26.836 1.00 0.00 N ATOM 0 H ARG A 12 4.644 -13.262 28.077 1.00 0.00 H new ATOM 0 HA ARG A 12 3.952 -11.646 30.288 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.466 -12.522 28.377 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.465 -14.078 29.183 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.551 -13.161 30.170 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.744 -12.596 31.323 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.376 -10.678 30.706 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.952 -10.446 29.975 1.00 0.00 H new ATOM 0 HE ARG A 12 0.125 -11.860 28.182 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.119 -8.761 29.492 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.549 -7.841 28.096 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.608 -10.671 26.397 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.422 -8.915 26.357 1.00 0.00 H new ATOM 201 N ALA A 13 4.348 -14.878 30.922 1.00 0.00 N ATOM 202 CA ALA A 13 4.578 -15.832 32.003 1.00 0.00 C ATOM 203 C ALA A 13 5.979 -15.658 32.578 1.00 0.00 C ATOM 204 O ALA A 13 6.166 -15.625 33.793 1.00 0.00 O ATOM 205 CB ALA A 13 4.412 -17.261 31.480 1.00 0.00 C ATOM 0 H ALA A 13 4.355 -15.284 29.986 1.00 0.00 H new ATOM 0 HA ALA A 13 3.848 -15.646 32.791 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.585 -17.968 32.292 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.401 -17.392 31.094 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.132 -17.442 30.682 1.00 0.00 H new ATOM 211 N SER A 14 6.957 -15.539 31.687 1.00 0.00 N ATOM 212 CA SER A 14 8.343 -15.358 32.099 1.00 0.00 C ATOM 213 C SER A 14 8.544 -13.966 32.683 1.00 0.00 C ATOM 214 O SER A 14 9.501 -13.727 33.416 1.00 0.00 O ATOM 215 CB SER A 14 9.277 -15.553 30.905 1.00 0.00 C ATOM 216 OG SER A 14 10.610 -15.716 31.375 1.00 0.00 O ATOM 0 H SER A 14 6.816 -15.565 30.677 1.00 0.00 H new ATOM 0 HA SER A 14 8.576 -16.101 32.862 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.973 -16.427 30.329 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.217 -14.694 30.237 1.00 0.00 H new ATOM 0 HG SER A 14 11.096 -14.871 31.279 1.00 0.00 H new ATOM 222 N VAL A 15 7.635 -13.053 32.343 1.00 0.00 N ATOM 223 CA VAL A 15 7.713 -11.678 32.827 1.00 0.00 C ATOM 224 C VAL A 15 8.974 -10.995 32.308 1.00 0.00 C ATOM 225 O VAL A 15 8.901 -10.055 31.515 1.00 0.00 O ATOM 226 CB VAL A 15 7.711 -11.655 34.357 1.00 0.00 C ATOM 227 CG1 VAL A 15 7.427 -10.235 34.848 1.00 0.00 C ATOM 228 CG2 VAL A 15 6.626 -12.602 34.879 1.00 0.00 C ATOM 0 H VAL A 15 6.838 -13.242 31.735 1.00 0.00 H new ATOM 0 HA VAL A 15 6.842 -11.137 32.457 1.00 0.00 H new ATOM 0 HB VAL A 15 8.685 -11.977 34.726 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.426 -10.220 35.938 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.199 -9.561 34.477 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.454 -9.911 34.480 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.623 -12.587 35.969 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.653 -12.279 34.509 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.829 -13.615 34.531 1.00 0.00 H new ATOM 238 N ILE A 16 10.129 -11.473 32.760 1.00 0.00 N ATOM 239 CA ILE A 16 11.404 -10.903 32.338 1.00 0.00 C ATOM 240 C ILE A 16 11.872 -11.556 31.042 1.00 0.00 C ATOM 241 O ILE A 16 11.791 -12.773 30.884 1.00 0.00 O ATOM 242 CB ILE A 16 12.452 -11.119 33.435 1.00 0.00 C ATOM 243 CG1 ILE A 16 13.742 -10.384 33.064 1.00 0.00 C ATOM 244 CG2 ILE A 16 12.743 -12.614 33.581 1.00 0.00 C ATOM 245 CD1 ILE A 16 14.669 -10.336 34.282 1.00 0.00 C ATOM 0 H ILE A 16 10.209 -12.250 33.416 1.00 0.00 H new ATOM 0 HA ILE A 16 11.274 -9.835 32.165 1.00 0.00 H new ATOM 0 HB ILE A 16 12.070 -10.730 34.379 1.00 0.00 H new ATOM 0 HG12 ILE A 16 14.237 -10.891 32.236 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.513 -9.373 32.727 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.489 -12.765 34.362 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.826 -13.139 33.849 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.122 -13.005 32.637 1.00 0.00 H new ATOM 0 HD11 ILE A 16 15.588 -9.813 34.019 1.00 0.00 H new ATOM 0 HD12 ILE A 16 14.172 -9.810 35.097 1.00 0.00 H new ATOM 0 HD13 ILE A 16 14.907 -11.352 34.598 1.00 0.00 H new ATOM 257 N GLY A 17 12.356 -10.736 30.113 1.00 0.00 N ATOM 258 CA GLY A 17 12.826 -11.248 28.830 1.00 0.00 C ATOM 259 C GLY A 17 13.778 -12.415 29.039 1.00 0.00 C ATOM 260 O GLY A 17 14.452 -12.500 30.064 1.00 0.00 O ATOM 0 H GLY A 17 12.433 -9.725 30.223 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.977 -11.567 28.226 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.330 -10.455 28.278 1.00 0.00 H new ATOM 264 N LYS A 18 13.819 -13.328 28.067 1.00 0.00 N ATOM 265 CA LYS A 18 14.684 -14.506 28.163 1.00 0.00 C ATOM 266 C LYS A 18 15.413 -14.751 26.835 1.00 0.00 C ATOM 267 O LYS A 18 14.912 -14.383 25.772 1.00 0.00 O ATOM 268 CB LYS A 18 13.822 -15.730 28.518 1.00 0.00 C ATOM 269 CG LYS A 18 13.552 -15.772 30.034 1.00 0.00 C ATOM 270 CD LYS A 18 14.743 -16.396 30.776 1.00 0.00 C ATOM 271 CE LYS A 18 14.337 -16.701 32.216 1.00 0.00 C ATOM 272 NZ LYS A 18 15.507 -17.245 32.960 1.00 0.00 N ATOM 0 H LYS A 18 13.268 -13.276 27.210 1.00 0.00 H new ATOM 0 HA LYS A 18 15.432 -14.339 28.938 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.878 -15.688 27.975 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.329 -16.643 28.207 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.373 -14.763 30.405 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.649 -16.350 30.233 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.060 -17.310 30.274 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.593 -15.713 30.762 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.973 -15.795 32.702 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.518 -17.420 32.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.229 -17.452 33.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.835 -18.119 32.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.275 -16.544 32.959 1.00 0.00 H new ATOM 286 N PRO A 19 16.574 -15.367 26.874 1.00 0.00 N ATOM 287 CA PRO A 19 17.368 -15.665 25.643 1.00 0.00 C ATOM 288 C PRO A 19 16.629 -16.614 24.699 1.00 0.00 C ATOM 289 O PRO A 19 15.852 -17.462 25.135 1.00 0.00 O ATOM 290 CB PRO A 19 18.666 -16.298 26.180 1.00 0.00 C ATOM 291 CG PRO A 19 18.312 -16.809 27.538 1.00 0.00 C ATOM 292 CD PRO A 19 17.262 -15.848 28.087 1.00 0.00 C ATOM 0 HA PRO A 19 17.553 -14.771 25.047 1.00 0.00 H new ATOM 0 HB2 PRO A 19 19.010 -17.104 25.532 1.00 0.00 H new ATOM 0 HB3 PRO A 19 19.471 -15.565 26.231 1.00 0.00 H new ATOM 0 HG2 PRO A 19 17.921 -17.825 27.483 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.189 -16.840 28.184 1.00 0.00 H new ATOM 0 HD2 PRO A 19 16.574 -16.350 28.767 1.00 0.00 H new ATOM 0 HD3 PRO A 19 17.718 -15.028 28.642 1.00 0.00 H new ATOM 300 N ILE A 20 16.881 -16.455 23.403 1.00 0.00 N ATOM 301 CA ILE A 20 16.240 -17.295 22.398 1.00 0.00 C ATOM 302 C ILE A 20 17.001 -18.606 22.220 1.00 0.00 C ATOM 303 O ILE A 20 18.227 -18.620 22.110 1.00 0.00 O ATOM 304 CB ILE A 20 16.160 -16.540 21.065 1.00 0.00 C ATOM 305 CG1 ILE A 20 15.643 -17.495 19.938 1.00 0.00 C ATOM 306 CG2 ILE A 20 17.531 -15.931 20.729 1.00 0.00 C ATOM 307 CD1 ILE A 20 16.790 -18.066 19.074 1.00 0.00 C ATOM 0 H ILE A 20 17.521 -15.756 23.026 1.00 0.00 H new ATOM 0 HA ILE A 20 15.231 -17.533 22.735 1.00 0.00 H new ATOM 0 HB ILE A 20 15.447 -15.719 21.146 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.088 -18.318 20.389 1.00 0.00 H new ATOM 0 HG13 ILE A 20 14.946 -16.953 19.299 1.00 0.00 H new ATOM 0 HG21 ILE A 20 17.469 -15.396 19.781 1.00 0.00 H new ATOM 0 HG22 ILE A 20 17.825 -15.239 21.518 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.272 -16.726 20.649 1.00 0.00 H new ATOM 0 HD11 ILE A 20 16.377 -18.722 18.308 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.329 -17.247 18.598 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.474 -18.632 19.706 1.00 0.00 H new ATOM 319 N GLY A 21 16.261 -19.708 22.192 1.00 0.00 N ATOM 320 CA GLY A 21 16.863 -21.026 22.019 1.00 0.00 C ATOM 321 C GLY A 21 17.018 -21.348 20.537 1.00 0.00 C ATOM 322 O GLY A 21 16.259 -20.850 19.707 1.00 0.00 O ATOM 0 H GLY A 21 15.245 -19.716 22.287 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.837 -21.055 22.508 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.242 -21.782 22.499 1.00 0.00 H new ATOM 326 N GLU A 22 18.009 -22.171 20.211 1.00 0.00 N ATOM 327 CA GLU A 22 18.262 -22.542 18.821 1.00 0.00 C ATOM 328 C GLU A 22 17.020 -23.197 18.202 1.00 0.00 C ATOM 329 O GLU A 22 15.925 -22.638 18.243 1.00 0.00 O ATOM 330 CB GLU A 22 19.450 -23.508 18.762 1.00 0.00 C ATOM 331 CG GLU A 22 20.027 -23.559 17.338 1.00 0.00 C ATOM 332 CD GLU A 22 21.148 -24.589 17.265 1.00 0.00 C ATOM 333 OE1 GLU A 22 21.604 -25.014 18.313 1.00 0.00 O ATOM 334 OE2 GLU A 22 21.532 -24.940 16.161 1.00 0.00 O ATOM 0 H GLU A 22 18.648 -22.593 20.885 1.00 0.00 H new ATOM 0 HA GLU A 22 18.494 -21.643 18.250 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.222 -23.189 19.463 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.133 -24.505 19.069 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.241 -23.814 16.627 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.406 -22.577 17.055 1.00 0.00 H new ATOM 341 N SER A 23 17.199 -24.383 17.625 1.00 0.00 N ATOM 342 CA SER A 23 16.092 -25.097 17.001 1.00 0.00 C ATOM 343 C SER A 23 15.120 -25.610 18.057 1.00 0.00 C ATOM 344 O SER A 23 13.958 -25.890 17.760 1.00 0.00 O ATOM 345 CB SER A 23 16.626 -26.270 16.178 1.00 0.00 C ATOM 346 OG SER A 23 15.542 -26.905 15.511 1.00 0.00 O ATOM 0 H SER A 23 18.096 -24.866 17.577 1.00 0.00 H new ATOM 0 HA SER A 23 15.562 -24.406 16.345 1.00 0.00 H new ATOM 0 HB2 SER A 23 17.359 -25.917 15.452 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.137 -26.982 16.826 1.00 0.00 H new ATOM 0 HG SER A 23 15.879 -27.657 14.981 1.00 0.00 H new ATOM 352 N TYR A 24 15.604 -25.740 19.288 1.00 0.00 N ATOM 353 CA TYR A 24 14.766 -26.231 20.377 1.00 0.00 C ATOM 354 C TYR A 24 13.587 -25.291 20.621 1.00 0.00 C ATOM 355 O TYR A 24 12.438 -25.726 20.687 1.00 0.00 O ATOM 356 CB TYR A 24 15.598 -26.351 21.657 1.00 0.00 C ATOM 357 CG TYR A 24 14.709 -26.792 22.796 1.00 0.00 C ATOM 358 CD1 TYR A 24 14.342 -28.136 22.909 1.00 0.00 C ATOM 359 CD2 TYR A 24 14.249 -25.858 23.734 1.00 0.00 C ATOM 360 CE1 TYR A 24 13.514 -28.551 23.958 1.00 0.00 C ATOM 361 CE2 TYR A 24 13.421 -26.272 24.783 1.00 0.00 C ATOM 362 CZ TYR A 24 13.054 -27.620 24.895 1.00 0.00 C ATOM 363 OH TYR A 24 12.236 -28.029 25.928 1.00 0.00 O ATOM 0 H TYR A 24 16.562 -25.515 19.555 1.00 0.00 H new ATOM 0 HA TYR A 24 14.378 -27.211 20.097 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.405 -27.069 21.513 1.00 0.00 H new ATOM 0 HB3 TYR A 24 16.062 -25.393 21.893 1.00 0.00 H new ATOM 0 HD1 TYR A 24 14.698 -28.855 22.186 1.00 0.00 H new ATOM 0 HD2 TYR A 24 14.533 -24.820 23.647 1.00 0.00 H new ATOM 0 HE1 TYR A 24 13.230 -29.590 24.044 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.065 -25.553 25.506 1.00 0.00 H new ATOM 0 HH TYR A 24 12.008 -27.259 26.489 1.00 0.00 H new ATOM 373 N LYS A 25 13.885 -24.002 20.757 1.00 0.00 N ATOM 374 CA LYS A 25 12.847 -22.999 20.999 1.00 0.00 C ATOM 375 C LYS A 25 12.197 -22.552 19.695 1.00 0.00 C ATOM 376 O LYS A 25 11.045 -22.119 19.684 1.00 0.00 O ATOM 377 CB LYS A 25 13.449 -21.784 21.702 1.00 0.00 C ATOM 378 CG LYS A 25 12.331 -20.796 22.060 1.00 0.00 C ATOM 379 CD LYS A 25 12.922 -19.596 22.797 1.00 0.00 C ATOM 380 CE LYS A 25 11.801 -18.630 23.181 1.00 0.00 C ATOM 381 NZ LYS A 25 12.379 -17.471 23.920 1.00 0.00 N ATOM 0 H LYS A 25 14.832 -23.626 20.704 1.00 0.00 H new ATOM 0 HA LYS A 25 12.084 -23.454 21.631 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.976 -22.096 22.604 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.182 -21.302 21.055 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.822 -20.465 21.155 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.585 -21.287 22.684 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.451 -19.929 23.690 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.651 -19.090 22.164 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.282 -18.284 22.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.063 -19.139 23.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.623 -16.796 24.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.826 -17.806 24.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.092 -17.001 23.326 1.00 0.00 H new ATOM 395 N ARG A 26 12.944 -22.646 18.599 1.00 0.00 N ATOM 396 CA ARG A 26 12.438 -22.234 17.299 1.00 0.00 C ATOM 397 C ARG A 26 11.019 -22.730 17.112 1.00 0.00 C ATOM 398 O ARG A 26 10.255 -22.174 16.326 1.00 0.00 O ATOM 399 CB ARG A 26 13.334 -22.795 16.193 1.00 0.00 C ATOM 400 CG ARG A 26 12.853 -22.309 14.823 1.00 0.00 C ATOM 401 CD ARG A 26 13.757 -22.886 13.731 1.00 0.00 C ATOM 402 NE ARG A 26 15.100 -22.322 13.831 1.00 0.00 N ATOM 403 CZ ARG A 26 16.058 -22.668 12.977 1.00 0.00 C ATOM 404 NH1 ARG A 26 15.806 -23.527 12.026 1.00 0.00 N ATOM 405 NH2 ARG A 26 17.251 -22.151 13.088 1.00 0.00 N ATOM 0 H ARG A 26 13.899 -23.003 18.588 1.00 0.00 H new ATOM 0 HA ARG A 26 12.442 -21.145 17.246 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.365 -22.481 16.356 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.323 -23.884 16.224 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.821 -22.619 14.657 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.869 -21.220 14.785 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.804 -23.971 13.824 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.336 -22.668 12.749 1.00 0.00 H new ATOM 0 HE ARG A 26 15.307 -21.650 14.570 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.874 -23.932 11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.541 -23.793 11.371 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.449 -21.481 13.831 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.985 -22.417 12.432 1.00 0.00 H new ATOM 419 N ILE A 27 10.667 -23.772 17.851 1.00 0.00 N ATOM 420 CA ILE A 27 9.331 -24.316 17.754 1.00 0.00 C ATOM 421 C ILE A 27 8.316 -23.302 18.264 1.00 0.00 C ATOM 422 O ILE A 27 7.292 -23.054 17.626 1.00 0.00 O ATOM 423 CB ILE A 27 9.225 -25.607 18.568 1.00 0.00 C ATOM 424 CG1 ILE A 27 7.851 -26.240 18.333 1.00 0.00 C ATOM 425 CG2 ILE A 27 9.397 -25.294 20.058 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.853 -27.674 18.867 1.00 0.00 C ATOM 0 H ILE A 27 11.280 -24.248 18.513 1.00 0.00 H new ATOM 0 HA ILE A 27 9.120 -24.538 16.708 1.00 0.00 H new ATOM 0 HB ILE A 27 10.006 -26.300 18.255 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.079 -25.655 18.833 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.614 -26.237 17.269 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.321 -26.216 20.635 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.375 -24.842 20.224 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.618 -24.601 20.377 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.875 -28.126 18.700 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.615 -28.255 18.347 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.071 -27.664 19.935 1.00 0.00 H new ATOM 438 N LEU A 28 8.619 -22.706 19.413 1.00 0.00 N ATOM 439 CA LEU A 28 7.739 -21.706 20.001 1.00 0.00 C ATOM 440 C LEU A 28 7.700 -20.450 19.137 1.00 0.00 C ATOM 441 O LEU A 28 6.638 -19.870 18.909 1.00 0.00 O ATOM 442 CB LEU A 28 8.226 -21.352 21.411 1.00 0.00 C ATOM 443 CG LEU A 28 7.350 -20.247 22.020 1.00 0.00 C ATOM 444 CD1 LEU A 28 5.875 -20.678 22.026 1.00 0.00 C ATOM 445 CD2 LEU A 28 7.815 -19.981 23.456 1.00 0.00 C ATOM 0 H LEU A 28 9.463 -22.898 19.952 1.00 0.00 H new ATOM 0 HA LEU A 28 6.732 -22.119 20.058 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.198 -22.238 22.045 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.264 -21.021 21.372 1.00 0.00 H new ATOM 0 HG LEU A 28 7.445 -19.340 21.423 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.266 -19.885 22.460 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.547 -20.869 21.004 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.764 -21.586 22.618 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.200 -19.198 23.898 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.719 -20.894 24.044 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.857 -19.662 23.448 1.00 0.00 H new ATOM 457 N ALA A 29 8.870 -20.029 18.670 1.00 0.00 N ATOM 458 CA ALA A 29 8.970 -18.837 17.838 1.00 0.00 C ATOM 459 C ALA A 29 8.379 -19.100 16.460 1.00 0.00 C ATOM 460 O ALA A 29 8.068 -18.169 15.717 1.00 0.00 O ATOM 461 CB ALA A 29 10.431 -18.412 17.703 1.00 0.00 C ATOM 0 H ALA A 29 9.759 -20.494 18.853 1.00 0.00 H new ATOM 0 HA ALA A 29 8.407 -18.034 18.314 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.494 -17.520 17.079 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.839 -18.194 18.690 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.003 -19.218 17.243 1.00 0.00 H new ATOM 467 N LYS A 30 8.231 -20.377 16.126 1.00 0.00 N ATOM 468 CA LYS A 30 7.681 -20.759 14.831 1.00 0.00 C ATOM 469 C LYS A 30 6.365 -20.038 14.576 1.00 0.00 C ATOM 470 O LYS A 30 6.013 -19.764 13.430 1.00 0.00 O ATOM 471 CB LYS A 30 7.444 -22.274 14.781 1.00 0.00 C ATOM 472 CG LYS A 30 7.298 -22.735 13.317 1.00 0.00 C ATOM 473 CD LYS A 30 8.676 -23.046 12.721 1.00 0.00 C ATOM 474 CE LYS A 30 8.507 -23.559 11.291 1.00 0.00 C ATOM 475 NZ LYS A 30 9.846 -23.863 10.714 1.00 0.00 N ATOM 0 H LYS A 30 8.482 -21.160 16.729 1.00 0.00 H new ATOM 0 HA LYS A 30 8.399 -20.477 14.061 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.275 -22.797 15.255 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.545 -22.529 15.343 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.664 -23.620 13.268 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.807 -21.959 12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.297 -22.150 12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.187 -23.793 13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.884 -24.454 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.997 -22.812 10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.734 -24.212 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.425 -22.999 10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.316 -24.590 11.291 1.00 0.00 H new ATOM 489 N LEU A 31 5.649 -19.733 15.650 1.00 0.00 N ATOM 490 CA LEU A 31 4.368 -19.048 15.536 1.00 0.00 C ATOM 491 C LEU A 31 4.552 -17.703 14.842 1.00 0.00 C ATOM 492 O LEU A 31 3.716 -17.292 14.036 1.00 0.00 O ATOM 493 CB LEU A 31 3.766 -18.828 16.934 1.00 0.00 C ATOM 494 CG LEU A 31 3.055 -20.103 17.412 1.00 0.00 C ATOM 495 CD1 LEU A 31 1.792 -20.376 16.562 1.00 0.00 C ATOM 496 CD2 LEU A 31 4.022 -21.292 17.309 1.00 0.00 C ATOM 0 H LEU A 31 5.932 -19.948 16.606 1.00 0.00 H new ATOM 0 HA LEU A 31 3.692 -19.665 14.945 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.552 -18.556 17.638 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.060 -17.998 16.908 1.00 0.00 H new ATOM 0 HG LEU A 31 2.747 -19.968 18.449 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.304 -21.283 16.917 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.104 -19.535 16.651 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.077 -20.502 15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.521 -22.199 17.647 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.337 -21.416 16.273 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.896 -21.106 17.934 1.00 0.00 H new ATOM 508 N GLN A 32 5.646 -17.026 15.154 1.00 0.00 N ATOM 509 CA GLN A 32 5.920 -15.734 14.547 1.00 0.00 C ATOM 510 C GLN A 32 5.807 -15.838 13.029 1.00 0.00 C ATOM 511 O GLN A 32 5.266 -14.945 12.375 1.00 0.00 O ATOM 512 CB GLN A 32 7.328 -15.268 14.933 1.00 0.00 C ATOM 513 CG GLN A 32 7.632 -13.911 14.278 1.00 0.00 C ATOM 514 CD GLN A 32 8.094 -14.108 12.837 1.00 0.00 C ATOM 515 OE1 GLN A 32 7.386 -13.736 11.901 1.00 0.00 O ATOM 516 NE2 GLN A 32 9.245 -14.676 12.602 1.00 0.00 N ATOM 0 H GLN A 32 6.352 -17.346 15.817 1.00 0.00 H new ATOM 0 HA GLN A 32 5.191 -15.009 14.909 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.407 -15.184 16.017 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.064 -16.007 14.616 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.742 -13.282 14.299 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.403 -13.390 14.846 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.830 -14.983 13.379 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.560 -14.813 11.641 1.00 0.00 H new ATOM 525 N ARG A 33 6.311 -16.937 12.475 1.00 0.00 N ATOM 526 CA ARG A 33 6.249 -17.147 11.032 1.00 0.00 C ATOM 527 C ARG A 33 4.804 -17.381 10.598 1.00 0.00 C ATOM 528 O ARG A 33 4.360 -16.866 9.572 1.00 0.00 O ATOM 529 CB ARG A 33 7.104 -18.353 10.633 1.00 0.00 C ATOM 530 CG ARG A 33 7.318 -18.343 9.118 1.00 0.00 C ATOM 531 CD ARG A 33 8.194 -19.531 8.716 1.00 0.00 C ATOM 532 NE ARG A 33 8.590 -19.410 7.315 1.00 0.00 N ATOM 533 CZ ARG A 33 9.684 -18.736 6.964 1.00 0.00 C ATOM 534 NH1 ARG A 33 10.412 -18.155 7.878 1.00 0.00 N ATOM 535 NH2 ARG A 33 10.026 -18.647 5.707 1.00 0.00 N ATOM 0 H ARG A 33 6.762 -17.688 12.997 1.00 0.00 H new ATOM 0 HA ARG A 33 6.635 -16.256 10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.064 -18.319 11.148 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.613 -19.278 10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.358 -18.396 8.605 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.791 -17.410 8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.080 -19.571 9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.650 -20.463 8.869 1.00 0.00 H new ATOM 0 HE ARG A 33 8.019 -19.849 6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.143 -18.217 8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.250 -17.639 7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.455 -19.094 4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.864 -18.130 5.442 1.00 0.00 H new ATOM 549 N ILE A 34 4.075 -18.158 11.397 1.00 0.00 N ATOM 550 CA ILE A 34 2.677 -18.456 11.100 1.00 0.00 C ATOM 551 C ILE A 34 1.851 -17.175 11.127 1.00 0.00 C ATOM 552 O ILE A 34 0.999 -16.960 10.271 1.00 0.00 O ATOM 553 CB ILE A 34 2.111 -19.447 12.122 1.00 0.00 C ATOM 554 CG1 ILE A 34 3.001 -20.701 12.187 1.00 0.00 C ATOM 555 CG2 ILE A 34 0.685 -19.837 11.730 1.00 0.00 C ATOM 556 CD1 ILE A 34 3.156 -21.336 10.799 1.00 0.00 C ATOM 0 H ILE A 34 4.428 -18.590 12.251 1.00 0.00 H new ATOM 0 HA ILE A 34 2.625 -18.901 10.106 1.00 0.00 H new ATOM 0 HB ILE A 34 2.094 -18.975 13.105 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.982 -20.435 12.581 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.566 -21.425 12.876 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.287 -20.542 12.460 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.058 -18.946 11.706 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.693 -20.301 10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.789 -22.220 10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.176 -21.622 10.418 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.613 -20.617 10.119 1.00 0.00 H new ATOM 568 N HIS A 35 2.104 -16.326 12.119 1.00 0.00 N ATOM 569 CA HIS A 35 1.368 -15.069 12.241 1.00 0.00 C ATOM 570 C HIS A 35 1.222 -14.395 10.877 1.00 0.00 C ATOM 571 O HIS A 35 0.114 -14.223 10.374 1.00 0.00 O ATOM 572 CB HIS A 35 2.104 -14.130 13.201 1.00 0.00 C ATOM 573 CG HIS A 35 1.322 -12.856 13.360 1.00 0.00 C ATOM 574 ND1 HIS A 35 0.091 -12.820 13.994 1.00 0.00 N ATOM 575 CD2 HIS A 35 1.585 -11.564 12.976 1.00 0.00 C ATOM 576 CE1 HIS A 35 -0.339 -11.545 13.975 1.00 0.00 C ATOM 577 NE2 HIS A 35 0.535 -10.738 13.366 1.00 0.00 N ATOM 0 H HIS A 35 2.805 -16.482 12.843 1.00 0.00 H new ATOM 0 HA HIS A 35 0.374 -15.286 12.631 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.233 -14.612 14.170 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.101 -13.911 12.819 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.471 -11.239 12.451 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.275 -11.215 14.400 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.451 -9.732 13.219 1.00 0.00 H new ATOM 585 N ASN A 36 2.349 -14.020 10.280 1.00 0.00 N ATOM 586 CA ASN A 36 2.331 -13.375 8.970 1.00 0.00 C ATOM 587 C ASN A 36 1.841 -14.343 7.892 1.00 0.00 C ATOM 588 O ASN A 36 1.081 -13.964 7.000 1.00 0.00 O ATOM 589 CB ASN A 36 3.735 -12.881 8.619 1.00 0.00 C ATOM 590 CG ASN A 36 4.114 -11.704 9.512 1.00 0.00 C ATOM 591 OD1 ASN A 36 5.276 -11.564 9.893 1.00 0.00 O ATOM 592 ND2 ASN A 36 3.200 -10.843 9.869 1.00 0.00 N ATOM 0 H ASN A 36 3.279 -14.150 10.678 1.00 0.00 H new ATOM 0 HA ASN A 36 1.645 -12.529 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.455 -13.689 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.772 -12.580 7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.448 -10.053 10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.237 -10.960 9.552 1.00 0.00 H new ATOM 599 N SER A 37 2.290 -15.592 7.981 1.00 0.00 N ATOM 600 CA SER A 37 1.913 -16.621 7.016 1.00 0.00 C ATOM 601 C SER A 37 0.597 -17.283 7.413 1.00 0.00 C ATOM 602 O SER A 37 0.304 -18.401 6.987 1.00 0.00 O ATOM 603 CB SER A 37 3.022 -17.671 6.917 1.00 0.00 C ATOM 604 OG SER A 37 2.958 -18.293 5.642 1.00 0.00 O ATOM 0 H SER A 37 2.919 -15.917 8.716 1.00 0.00 H new ATOM 0 HA SER A 37 1.776 -16.149 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.996 -17.204 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.907 -18.415 7.705 1.00 0.00 H new ATOM 0 HG SER A 37 3.674 -17.944 5.071 1.00 0.00 H new ATOM 610 N ASN A 38 -0.178 -16.605 8.254 1.00 0.00 N ATOM 611 CA ASN A 38 -1.441 -17.161 8.726 1.00 0.00 C ATOM 612 C ASN A 38 -2.210 -17.794 7.573 1.00 0.00 C ATOM 613 O ASN A 38 -2.539 -17.132 6.589 1.00 0.00 O ATOM 614 CB ASN A 38 -2.287 -16.057 9.363 1.00 0.00 C ATOM 615 CG ASN A 38 -3.597 -16.632 9.883 1.00 0.00 C ATOM 616 OD1 ASN A 38 -4.673 -16.230 9.441 1.00 0.00 O ATOM 617 ND2 ASN A 38 -3.572 -17.559 10.801 1.00 0.00 N ATOM 0 H ASN A 38 0.043 -15.679 8.620 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.227 -17.930 9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.736 -15.592 10.180 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.490 -15.276 8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.445 -17.952 11.153 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.679 -17.891 11.166 1.00 0.00 H new ATOM 624 N ILE A 39 -2.482 -19.087 7.705 1.00 0.00 N ATOM 625 CA ILE A 39 -3.202 -19.825 6.676 1.00 0.00 C ATOM 626 C ILE A 39 -2.706 -19.434 5.286 1.00 0.00 C ATOM 627 O ILE A 39 -3.468 -18.915 4.470 1.00 0.00 O ATOM 628 CB ILE A 39 -4.697 -19.552 6.786 1.00 0.00 C ATOM 629 CG1 ILE A 39 -5.101 -19.563 8.258 1.00 0.00 C ATOM 630 CG2 ILE A 39 -5.477 -20.636 6.036 1.00 0.00 C ATOM 631 CD1 ILE A 39 -4.606 -20.841 8.939 1.00 0.00 C ATOM 0 H ILE A 39 -2.214 -19.646 8.515 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.019 -20.889 6.825 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.922 -18.580 6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.685 -18.691 8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.185 -19.494 8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.546 -20.437 6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.186 -20.633 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.255 -21.611 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.903 -20.833 9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.043 -21.709 8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.519 -20.893 8.870 1.00 0.00 H new ATOM 643 N LEU A 40 -1.422 -19.678 5.023 1.00 0.00 N ATOM 644 CA LEU A 40 -0.829 -19.339 3.726 1.00 0.00 C ATOM 645 C LEU A 40 -0.608 -20.602 2.906 1.00 0.00 C ATOM 646 O LEU A 40 -0.013 -21.562 3.382 1.00 0.00 O ATOM 647 CB LEU A 40 0.512 -18.623 3.933 1.00 0.00 C ATOM 648 CG LEU A 40 1.040 -18.088 2.591 1.00 0.00 C ATOM 649 CD1 LEU A 40 0.102 -16.993 2.042 1.00 0.00 C ATOM 650 CD2 LEU A 40 2.443 -17.511 2.801 1.00 0.00 C ATOM 0 H LEU A 40 -0.775 -20.106 5.685 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.512 -18.679 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.389 -17.801 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.236 -19.311 4.369 1.00 0.00 H new ATOM 0 HG LEU A 40 1.079 -18.904 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.489 -16.625 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.894 -17.409 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.047 -16.170 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.825 -17.129 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.398 -16.700 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.106 -18.293 3.171 1.00 0.00 H new ATOM 662 N ASP A 41 -1.100 -20.597 1.674 1.00 0.00 N ATOM 663 CA ASP A 41 -0.961 -21.756 0.799 1.00 0.00 C ATOM 664 C ASP A 41 0.432 -22.374 0.912 1.00 0.00 C ATOM 665 O ASP A 41 0.621 -23.554 0.622 1.00 0.00 O ATOM 666 CB ASP A 41 -1.227 -21.346 -0.649 1.00 0.00 C ATOM 667 CG ASP A 41 -1.161 -22.567 -1.559 1.00 0.00 C ATOM 668 OD1 ASP A 41 -1.967 -23.463 -1.373 1.00 0.00 O ATOM 669 OD2 ASP A 41 -0.305 -22.590 -2.428 1.00 0.00 O ATOM 0 H ASP A 41 -1.596 -19.809 1.259 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.691 -22.504 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.207 -20.876 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.492 -20.606 -0.966 1.00 0.00 H new ATOM 674 N GLU A 42 1.402 -21.569 1.326 1.00 0.00 N ATOM 675 CA GLU A 42 2.776 -22.045 1.464 1.00 0.00 C ATOM 676 C GLU A 42 2.981 -22.750 2.808 1.00 0.00 C ATOM 677 O GLU A 42 3.387 -23.911 2.851 1.00 0.00 O ATOM 678 CB GLU A 42 3.733 -20.861 1.352 1.00 0.00 C ATOM 679 CG GLU A 42 5.170 -21.372 1.250 1.00 0.00 C ATOM 680 CD GLU A 42 6.127 -20.200 1.055 1.00 0.00 C ATOM 681 OE1 GLU A 42 5.651 -19.114 0.766 1.00 0.00 O ATOM 682 OE2 GLU A 42 7.322 -20.406 1.193 1.00 0.00 O ATOM 0 H GLU A 42 1.266 -20.588 1.571 1.00 0.00 H new ATOM 0 HA GLU A 42 2.977 -22.763 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.486 -20.262 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.628 -20.212 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.434 -21.922 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.259 -22.068 0.416 1.00 0.00 H new ATOM 689 N ARG A 43 2.693 -22.042 3.901 1.00 0.00 N ATOM 690 CA ARG A 43 2.848 -22.610 5.244 1.00 0.00 C ATOM 691 C ARG A 43 1.703 -23.574 5.562 1.00 0.00 C ATOM 692 O ARG A 43 1.817 -24.405 6.464 1.00 0.00 O ATOM 693 CB ARG A 43 2.917 -21.475 6.303 1.00 0.00 C ATOM 694 CG ARG A 43 4.376 -21.196 6.708 1.00 0.00 C ATOM 695 CD ARG A 43 5.160 -20.646 5.515 1.00 0.00 C ATOM 696 NE ARG A 43 6.591 -20.689 5.798 1.00 0.00 N ATOM 697 CZ ARG A 43 7.485 -20.740 4.817 1.00 0.00 C ATOM 698 NH1 ARG A 43 7.086 -20.736 3.574 1.00 0.00 N ATOM 699 NH2 ARG A 43 8.758 -20.795 5.094 1.00 0.00 N ATOM 0 H ARG A 43 2.353 -21.080 3.885 1.00 0.00 H new ATOM 0 HA ARG A 43 3.781 -23.172 5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.466 -20.568 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.338 -21.756 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.402 -20.481 7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.843 -22.113 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.939 -21.232 4.623 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.852 -19.621 5.308 1.00 0.00 H new ATOM 0 HE ARG A 43 6.910 -20.680 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.090 -20.694 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.770 -20.775 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.069 -20.799 6.065 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.443 -20.834 4.339 1.00 0.00 H new ATOM 713 N GLN A 44 0.607 -23.463 4.820 1.00 0.00 N ATOM 714 CA GLN A 44 -0.545 -24.335 5.040 1.00 0.00 C ATOM 715 C GLN A 44 -0.084 -25.777 5.250 1.00 0.00 C ATOM 716 O GLN A 44 -0.636 -26.498 6.082 1.00 0.00 O ATOM 717 CB GLN A 44 -1.504 -24.250 3.831 1.00 0.00 C ATOM 718 CG GLN A 44 -2.586 -23.192 4.076 1.00 0.00 C ATOM 719 CD GLN A 44 -3.503 -23.099 2.860 1.00 0.00 C ATOM 720 OE1 GLN A 44 -3.664 -22.026 2.282 1.00 0.00 O ATOM 721 NE2 GLN A 44 -4.112 -24.173 2.436 1.00 0.00 N ATOM 0 H GLN A 44 0.490 -22.785 4.067 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.073 -24.007 5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.942 -24.002 2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.969 -25.221 3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.166 -23.451 4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.124 -22.224 4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.975 -25.061 2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.725 -24.124 1.622 1.00 0.00 H new ATOM 730 N GLY A 45 0.934 -26.186 4.502 1.00 0.00 N ATOM 731 CA GLY A 45 1.458 -27.533 4.632 1.00 0.00 C ATOM 732 C GLY A 45 2.170 -27.691 5.967 1.00 0.00 C ATOM 733 O GLY A 45 1.997 -28.693 6.661 1.00 0.00 O ATOM 0 H GLY A 45 1.407 -25.608 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.646 -28.256 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.149 -27.743 3.816 1.00 0.00 H new ATOM 737 N LEU A 46 2.976 -26.693 6.318 1.00 0.00 N ATOM 738 CA LEU A 46 3.714 -26.732 7.573 1.00 0.00 C ATOM 739 C LEU A 46 2.739 -26.719 8.755 1.00 0.00 C ATOM 740 O LEU A 46 2.916 -27.443 9.734 1.00 0.00 O ATOM 741 CB LEU A 46 4.674 -25.528 7.659 1.00 0.00 C ATOM 742 CG LEU A 46 5.894 -25.873 8.535 1.00 0.00 C ATOM 743 CD1 LEU A 46 6.848 -24.675 8.572 1.00 0.00 C ATOM 744 CD2 LEU A 46 5.451 -26.226 9.966 1.00 0.00 C ATOM 0 H LEU A 46 3.133 -25.856 5.756 1.00 0.00 H new ATOM 0 HA LEU A 46 4.300 -27.650 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.005 -25.247 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.151 -24.667 8.076 1.00 0.00 H new ATOM 0 HG LEU A 46 6.402 -26.737 8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.712 -24.917 9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.180 -24.443 7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.332 -23.811 8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.327 -26.467 10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.930 -25.376 10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.782 -27.086 9.938 1.00 0.00 H new ATOM 756 N MET A 47 1.706 -25.890 8.649 1.00 0.00 N ATOM 757 CA MET A 47 0.713 -25.781 9.712 1.00 0.00 C ATOM 758 C MET A 47 0.185 -27.161 10.089 1.00 0.00 C ATOM 759 O MET A 47 0.087 -27.496 11.269 1.00 0.00 O ATOM 760 CB MET A 47 -0.442 -24.886 9.251 1.00 0.00 C ATOM 761 CG MET A 47 -1.460 -24.736 10.382 1.00 0.00 C ATOM 762 SD MET A 47 -2.563 -23.344 10.025 1.00 0.00 S ATOM 763 CE MET A 47 -1.697 -22.109 11.028 1.00 0.00 C ATOM 0 H MET A 47 1.535 -25.288 7.844 1.00 0.00 H new ATOM 0 HA MET A 47 1.183 -25.337 10.590 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.062 -23.907 8.958 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.921 -25.318 8.372 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.039 -25.654 10.488 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.945 -24.572 11.329 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.933 -21.111 10.660 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.014 -22.197 12.067 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.622 -22.275 10.961 1.00 0.00 H new ATOM 773 N HIS A 48 -0.141 -27.965 9.083 1.00 0.00 N ATOM 774 CA HIS A 48 -0.641 -29.312 9.331 1.00 0.00 C ATOM 775 C HIS A 48 0.444 -30.183 9.959 1.00 0.00 C ATOM 776 O HIS A 48 0.187 -30.928 10.904 1.00 0.00 O ATOM 777 CB HIS A 48 -1.109 -29.943 8.022 1.00 0.00 C ATOM 778 CG HIS A 48 -1.621 -31.331 8.290 1.00 0.00 C ATOM 779 ND1 HIS A 48 -2.039 -31.736 9.548 1.00 0.00 N ATOM 780 CD2 HIS A 48 -1.788 -32.418 7.471 1.00 0.00 C ATOM 781 CE1 HIS A 48 -2.436 -33.018 9.450 1.00 0.00 C ATOM 782 NE2 HIS A 48 -2.302 -33.483 8.206 1.00 0.00 N ATOM 0 H HIS A 48 -0.069 -27.711 8.098 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.480 -29.245 10.023 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.894 -29.335 7.573 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.286 -29.979 7.308 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.556 -32.444 6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.816 -33.600 10.277 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.528 -34.418 7.867 1.00 0.00 H new ATOM 790 N GLU A 49 1.657 -30.080 9.427 1.00 0.00 N ATOM 791 CA GLU A 49 2.777 -30.859 9.943 1.00 0.00 C ATOM 792 C GLU A 49 3.189 -30.356 11.322 1.00 0.00 C ATOM 793 O GLU A 49 3.773 -31.095 12.115 1.00 0.00 O ATOM 794 CB GLU A 49 3.968 -30.766 8.986 1.00 0.00 C ATOM 795 CG GLU A 49 5.097 -31.671 9.486 1.00 0.00 C ATOM 796 CD GLU A 49 6.257 -31.652 8.496 1.00 0.00 C ATOM 797 OE1 GLU A 49 6.641 -30.569 8.086 1.00 0.00 O ATOM 798 OE2 GLU A 49 6.742 -32.719 8.163 1.00 0.00 O ATOM 0 H GLU A 49 1.889 -29.469 8.644 1.00 0.00 H new ATOM 0 HA GLU A 49 2.462 -31.899 10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.666 -31.065 7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.316 -29.735 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.438 -31.334 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.730 -32.690 9.610 1.00 0.00 H new ATOM 805 N LEU A 50 2.885 -29.091 11.597 1.00 0.00 N ATOM 806 CA LEU A 50 3.234 -28.491 12.880 1.00 0.00 C ATOM 807 C LEU A 50 2.528 -29.231 14.014 1.00 0.00 C ATOM 808 O LEU A 50 3.073 -29.372 15.109 1.00 0.00 O ATOM 809 CB LEU A 50 2.839 -27.002 12.895 1.00 0.00 C ATOM 810 CG LEU A 50 3.669 -26.239 13.951 1.00 0.00 C ATOM 811 CD1 LEU A 50 5.009 -25.800 13.347 1.00 0.00 C ATOM 812 CD2 LEU A 50 2.900 -24.996 14.428 1.00 0.00 C ATOM 0 H LEU A 50 2.401 -28.465 10.953 1.00 0.00 H new ATOM 0 HA LEU A 50 4.312 -28.570 13.023 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.002 -26.565 11.910 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.776 -26.903 13.116 1.00 0.00 H new ATOM 0 HG LEU A 50 3.850 -26.902 14.797 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.588 -25.263 14.098 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.566 -26.678 13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.827 -25.147 12.494 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.493 -24.465 15.172 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.709 -24.339 13.580 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.952 -25.302 14.871 1.00 0.00 H new ATOM 824 N MET A 51 1.315 -29.701 13.742 1.00 0.00 N ATOM 825 CA MET A 51 0.544 -30.426 14.746 1.00 0.00 C ATOM 826 C MET A 51 1.317 -31.652 15.216 1.00 0.00 C ATOM 827 O MET A 51 1.368 -31.944 16.411 1.00 0.00 O ATOM 828 CB MET A 51 -0.801 -30.856 14.152 1.00 0.00 C ATOM 829 CG MET A 51 -1.635 -31.567 15.221 1.00 0.00 C ATOM 830 SD MET A 51 -3.263 -31.976 14.543 1.00 0.00 S ATOM 831 CE MET A 51 -2.817 -33.572 13.817 1.00 0.00 C ATOM 0 H MET A 51 0.847 -29.594 12.842 1.00 0.00 H new ATOM 0 HA MET A 51 0.368 -29.772 15.600 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.339 -29.985 13.777 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.639 -31.520 13.303 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.128 -32.474 15.550 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.744 -30.928 16.097 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.692 -34.010 13.336 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.030 -33.428 13.077 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.460 -34.241 14.600 1.00 0.00 H new ATOM 841 N GLU A 52 1.927 -32.364 14.275 1.00 0.00 N ATOM 842 CA GLU A 52 2.702 -33.549 14.620 1.00 0.00 C ATOM 843 C GLU A 52 3.950 -33.158 15.408 1.00 0.00 C ATOM 844 O GLU A 52 4.299 -33.806 16.394 1.00 0.00 O ATOM 845 CB GLU A 52 3.112 -34.293 13.350 1.00 0.00 C ATOM 846 CG GLU A 52 1.870 -34.884 12.684 1.00 0.00 C ATOM 847 CD GLU A 52 2.256 -35.551 11.369 1.00 0.00 C ATOM 848 OE1 GLU A 52 3.436 -35.568 11.061 1.00 0.00 O ATOM 849 OE2 GLU A 52 1.365 -36.034 10.690 1.00 0.00 O ATOM 0 H GLU A 52 1.901 -32.145 13.279 1.00 0.00 H new ATOM 0 HA GLU A 52 2.083 -34.200 15.237 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.617 -33.613 12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.820 -35.085 13.592 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.402 -35.611 13.347 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.136 -34.099 12.502 1.00 0.00 H new ATOM 856 N LEU A 53 4.616 -32.092 14.968 1.00 0.00 N ATOM 857 CA LEU A 53 5.822 -31.623 15.644 1.00 0.00 C ATOM 858 C LEU A 53 5.502 -31.175 17.066 1.00 0.00 C ATOM 859 O LEU A 53 6.238 -31.479 18.004 1.00 0.00 O ATOM 860 CB LEU A 53 6.443 -30.455 14.865 1.00 0.00 C ATOM 861 CG LEU A 53 7.682 -29.917 15.601 1.00 0.00 C ATOM 862 CD1 LEU A 53 8.705 -31.043 15.826 1.00 0.00 C ATOM 863 CD2 LEU A 53 8.318 -28.806 14.760 1.00 0.00 C ATOM 0 H LEU A 53 4.343 -31.542 14.154 1.00 0.00 H new ATOM 0 HA LEU A 53 6.533 -32.448 15.687 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.722 -30.785 13.864 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.709 -29.658 14.745 1.00 0.00 H new ATOM 0 HG LEU A 53 7.379 -29.524 16.572 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.575 -30.645 16.348 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.252 -31.832 16.426 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.014 -31.451 14.864 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.197 -28.419 15.274 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.612 -29.207 13.790 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.598 -28.001 14.616 1.00 0.00 H new ATOM 875 N ILE A 54 4.399 -30.452 17.216 1.00 0.00 N ATOM 876 CA ILE A 54 3.990 -29.963 18.526 1.00 0.00 C ATOM 877 C ILE A 54 3.695 -31.134 19.459 1.00 0.00 C ATOM 878 O ILE A 54 4.048 -31.107 20.637 1.00 0.00 O ATOM 879 CB ILE A 54 2.754 -29.065 18.406 1.00 0.00 C ATOM 880 CG1 ILE A 54 3.123 -27.751 17.685 1.00 0.00 C ATOM 881 CG2 ILE A 54 2.191 -28.759 19.804 1.00 0.00 C ATOM 882 CD1 ILE A 54 3.773 -26.731 18.642 1.00 0.00 C ATOM 0 H ILE A 54 3.775 -30.193 16.452 1.00 0.00 H new ATOM 0 HA ILE A 54 4.808 -29.375 18.942 1.00 0.00 H new ATOM 0 HB ILE A 54 1.993 -29.585 17.824 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.808 -27.967 16.865 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.226 -27.315 17.244 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.313 -28.120 19.711 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.911 -29.691 20.296 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.949 -28.249 20.398 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.017 -25.821 18.093 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.078 -26.494 19.448 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.684 -27.156 19.062 1.00 0.00 H new ATOM 894 N ASP A 55 3.033 -32.153 18.925 1.00 0.00 N ATOM 895 CA ASP A 55 2.678 -33.315 19.719 1.00 0.00 C ATOM 896 C ASP A 55 3.921 -33.927 20.343 1.00 0.00 C ATOM 897 O ASP A 55 3.891 -34.393 21.480 1.00 0.00 O ATOM 898 CB ASP A 55 1.979 -34.354 18.841 1.00 0.00 C ATOM 899 CG ASP A 55 1.565 -35.553 19.688 1.00 0.00 C ATOM 900 OD1 ASP A 55 1.950 -35.599 20.845 1.00 0.00 O ATOM 901 OD2 ASP A 55 0.866 -36.407 19.167 1.00 0.00 O ATOM 0 H ASP A 55 2.734 -32.196 17.951 1.00 0.00 H new ATOM 0 HA ASP A 55 2.001 -33.000 20.513 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.103 -33.912 18.367 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.646 -34.675 18.041 1.00 0.00 H new ATOM 906 N LEU A 56 5.012 -33.925 19.591 1.00 0.00 N ATOM 907 CA LEU A 56 6.254 -34.491 20.086 1.00 0.00 C ATOM 908 C LEU A 56 6.766 -33.714 21.300 1.00 0.00 C ATOM 909 O LEU A 56 7.211 -34.305 22.284 1.00 0.00 O ATOM 910 CB LEU A 56 7.312 -34.466 18.983 1.00 0.00 C ATOM 911 CG LEU A 56 6.911 -35.427 17.852 1.00 0.00 C ATOM 912 CD1 LEU A 56 7.863 -35.233 16.666 1.00 0.00 C ATOM 913 CD2 LEU A 56 6.975 -36.892 18.337 1.00 0.00 C ATOM 0 H LEU A 56 5.061 -33.542 18.647 1.00 0.00 H new ATOM 0 HA LEU A 56 6.061 -35.520 20.389 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.418 -33.454 18.592 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.281 -34.754 19.390 1.00 0.00 H new ATOM 0 HG LEU A 56 5.888 -35.209 17.546 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.584 -35.912 15.860 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.798 -34.204 16.312 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.885 -35.445 16.981 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.688 -37.558 17.523 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.991 -37.126 18.656 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.291 -37.028 19.175 1.00 0.00 H new ATOM 925 N TYR A 57 6.698 -32.388 21.225 1.00 0.00 N ATOM 926 CA TYR A 57 7.157 -31.543 22.326 1.00 0.00 C ATOM 927 C TYR A 57 6.097 -31.446 23.419 1.00 0.00 C ATOM 928 O TYR A 57 6.348 -31.808 24.567 1.00 0.00 O ATOM 929 CB TYR A 57 7.496 -30.139 21.800 1.00 0.00 C ATOM 930 CG TYR A 57 8.857 -30.158 21.138 1.00 0.00 C ATOM 931 CD1 TYR A 57 8.998 -30.648 19.835 1.00 0.00 C ATOM 932 CD2 TYR A 57 9.978 -29.688 21.835 1.00 0.00 C ATOM 933 CE1 TYR A 57 10.260 -30.671 19.229 1.00 0.00 C ATOM 934 CE2 TYR A 57 11.238 -29.711 21.229 1.00 0.00 C ATOM 935 CZ TYR A 57 11.379 -30.202 19.926 1.00 0.00 C ATOM 936 OH TYR A 57 12.623 -30.226 19.328 1.00 0.00 O ATOM 0 H TYR A 57 6.333 -31.877 20.421 1.00 0.00 H new ATOM 0 HA TYR A 57 8.051 -31.995 22.756 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.738 -29.814 21.087 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.490 -29.421 22.620 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.134 -31.008 19.297 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.869 -29.308 22.840 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.370 -31.051 18.224 1.00 0.00 H new ATOM 0 HE2 TYR A 57 12.102 -29.350 21.766 1.00 0.00 H new ATOM 0 HH TYR A 57 13.291 -29.864 19.947 1.00 0.00 H new ATOM 946 N GLU A 58 4.909 -30.966 23.052 1.00 0.00 N ATOM 947 CA GLU A 58 3.817 -30.818 24.014 1.00 0.00 C ATOM 948 C GLU A 58 3.742 -32.038 24.931 1.00 0.00 C ATOM 949 O GLU A 58 3.144 -31.990 25.999 1.00 0.00 O ATOM 950 CB GLU A 58 2.473 -30.593 23.272 1.00 0.00 C ATOM 951 CG GLU A 58 1.690 -31.909 23.117 1.00 0.00 C ATOM 952 CD GLU A 58 0.519 -31.715 22.162 1.00 0.00 C ATOM 953 OE1 GLU A 58 0.247 -30.578 21.809 1.00 0.00 O ATOM 954 OE2 GLU A 58 -0.088 -32.705 21.797 1.00 0.00 O ATOM 0 H GLU A 58 4.679 -30.675 22.102 1.00 0.00 H new ATOM 0 HA GLU A 58 4.013 -29.944 24.635 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.869 -29.871 23.821 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.666 -30.165 22.288 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.350 -32.691 22.741 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.325 -32.240 24.089 1.00 0.00 H new ATOM 961 N GLU A 59 4.317 -33.139 24.490 1.00 0.00 N ATOM 962 CA GLU A 59 4.283 -34.354 25.290 1.00 0.00 C ATOM 963 C GLU A 59 5.250 -34.240 26.472 1.00 0.00 C ATOM 964 O GLU A 59 4.868 -34.465 27.620 1.00 0.00 O ATOM 965 CB GLU A 59 4.649 -35.552 24.417 1.00 0.00 C ATOM 966 CG GLU A 59 4.396 -36.847 25.190 1.00 0.00 C ATOM 967 CD GLU A 59 2.896 -37.057 25.375 1.00 0.00 C ATOM 968 OE1 GLU A 59 2.135 -36.313 24.778 1.00 0.00 O ATOM 969 OE2 GLU A 59 2.530 -37.955 26.114 1.00 0.00 O ATOM 0 H GLU A 59 4.806 -33.222 23.599 1.00 0.00 H new ATOM 0 HA GLU A 59 3.276 -34.494 25.684 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.058 -35.542 23.501 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.696 -35.492 24.121 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.827 -37.692 24.652 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.888 -36.803 26.161 1.00 0.00 H new ATOM 976 N SER A 60 6.508 -33.898 26.177 1.00 0.00 N ATOM 977 CA SER A 60 7.544 -33.762 27.214 1.00 0.00 C ATOM 978 C SER A 60 7.666 -32.320 27.736 1.00 0.00 C ATOM 979 O SER A 60 8.306 -32.081 28.760 1.00 0.00 O ATOM 980 CB SER A 60 8.887 -34.209 26.643 1.00 0.00 C ATOM 981 OG SER A 60 9.265 -33.326 25.593 1.00 0.00 O ATOM 0 H SER A 60 6.837 -33.710 25.230 1.00 0.00 H new ATOM 0 HA SER A 60 7.253 -34.391 28.056 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.646 -34.210 27.425 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.815 -35.230 26.268 1.00 0.00 H new ATOM 0 HG SER A 60 10.128 -33.607 25.224 1.00 0.00 H new ATOM 987 N GLN A 61 7.073 -31.366 27.019 1.00 0.00 N ATOM 988 CA GLN A 61 7.147 -29.948 27.406 1.00 0.00 C ATOM 989 C GLN A 61 6.430 -29.679 28.741 1.00 0.00 C ATOM 990 O GLN A 61 6.915 -28.900 29.564 1.00 0.00 O ATOM 991 CB GLN A 61 6.541 -29.071 26.282 1.00 0.00 C ATOM 992 CG GLN A 61 7.500 -27.937 25.900 1.00 0.00 C ATOM 993 CD GLN A 61 7.812 -27.085 27.124 1.00 0.00 C ATOM 994 OE1 GLN A 61 6.939 -26.856 27.960 1.00 0.00 O ATOM 995 NE2 GLN A 61 9.014 -26.600 27.280 1.00 0.00 N ATOM 0 H GLN A 61 6.537 -31.543 26.170 1.00 0.00 H new ATOM 0 HA GLN A 61 8.197 -29.690 27.546 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.332 -29.687 25.407 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.590 -28.653 26.613 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.421 -28.351 25.490 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.054 -27.319 25.121 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.736 -26.792 26.585 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.232 -26.029 28.097 1.00 0.00 H new ATOM 1004 N PRO A 62 5.307 -30.308 28.969 1.00 0.00 N ATOM 1005 CA PRO A 62 4.522 -30.149 30.213 1.00 0.00 C ATOM 1006 C PRO A 62 4.708 -31.319 31.174 1.00 0.00 C ATOM 1007 O PRO A 62 4.016 -32.332 31.105 1.00 0.00 O ATOM 1008 CB PRO A 62 3.088 -30.134 29.671 1.00 0.00 C ATOM 1009 CG PRO A 62 3.127 -30.983 28.417 1.00 0.00 C ATOM 1010 CD PRO A 62 4.614 -31.188 28.043 1.00 0.00 C ATOM 0 HA PRO A 62 4.810 -29.269 30.788 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.387 -30.541 30.400 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.762 -29.118 29.448 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.638 -31.942 28.588 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.591 -30.492 27.605 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.922 -32.226 28.166 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.810 -30.918 27.005 1.00 0.00 H new ATOM 1018 N SER A 63 5.667 -31.134 32.072 1.00 0.00 N ATOM 1019 CA SER A 63 5.995 -32.126 33.083 1.00 0.00 C ATOM 1020 C SER A 63 5.054 -31.992 34.276 1.00 0.00 C ATOM 1021 O SER A 63 5.057 -32.830 35.179 1.00 0.00 O ATOM 1022 CB SER A 63 7.440 -31.916 33.543 1.00 0.00 C ATOM 1023 OG SER A 63 7.522 -30.703 34.281 1.00 0.00 O ATOM 0 H SER A 63 6.239 -30.291 32.118 1.00 0.00 H new ATOM 0 HA SER A 63 5.884 -33.123 32.657 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.764 -32.754 34.160 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.107 -31.878 32.682 1.00 0.00 H new ATOM 0 HG SER A 63 8.445 -30.564 34.580 1.00 0.00 H new ATOM 1029 N SER A 64 4.250 -30.924 34.276 1.00 0.00 N ATOM 1030 CA SER A 64 3.297 -30.671 35.363 1.00 0.00 C ATOM 1031 C SER A 64 1.858 -30.799 34.862 1.00 0.00 C ATOM 1032 O SER A 64 0.930 -30.271 35.474 1.00 0.00 O ATOM 1033 CB SER A 64 3.516 -29.270 35.938 1.00 0.00 C ATOM 1034 OG SER A 64 2.397 -28.909 36.738 1.00 0.00 O ATOM 0 H SER A 64 4.240 -30.221 33.537 1.00 0.00 H new ATOM 0 HA SER A 64 3.464 -31.414 36.143 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.427 -29.248 36.536 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.648 -28.550 35.131 1.00 0.00 H new ATOM 0 HG SER A 64 1.590 -28.892 36.183 1.00 0.00 H new ATOM 1040 N GLU A 65 1.686 -31.499 33.746 1.00 0.00 N ATOM 1041 CA GLU A 65 0.361 -31.695 33.163 1.00 0.00 C ATOM 1042 C GLU A 65 -0.199 -30.363 32.663 1.00 0.00 C ATOM 1043 O GLU A 65 -1.400 -30.104 32.751 1.00 0.00 O ATOM 1044 CB GLU A 65 -0.586 -32.306 34.208 1.00 0.00 C ATOM 1045 CG GLU A 65 -1.786 -32.961 33.513 1.00 0.00 C ATOM 1046 CD GLU A 65 -2.685 -33.627 34.549 1.00 0.00 C ATOM 1047 OE1 GLU A 65 -2.237 -33.795 35.672 1.00 0.00 O ATOM 1048 OE2 GLU A 65 -3.807 -33.958 34.206 1.00 0.00 O ATOM 0 H GLU A 65 2.445 -31.940 33.227 1.00 0.00 H new ATOM 0 HA GLU A 65 0.446 -32.378 32.318 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.053 -33.046 34.805 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.931 -31.532 34.894 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.350 -32.211 32.958 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.440 -33.700 32.790 1.00 0.00 H new ATOM 1055 N ARG A 66 0.688 -29.514 32.152 1.00 0.00 N ATOM 1056 CA ARG A 66 0.290 -28.201 31.646 1.00 0.00 C ATOM 1057 C ARG A 66 -0.236 -28.302 30.215 1.00 0.00 C ATOM 1058 O ARG A 66 -0.830 -27.356 29.696 1.00 0.00 O ATOM 1059 CB ARG A 66 1.470 -27.228 31.713 1.00 0.00 C ATOM 1060 CG ARG A 66 0.961 -25.792 31.550 1.00 0.00 C ATOM 1061 CD ARG A 66 2.125 -24.819 31.722 1.00 0.00 C ATOM 1062 NE ARG A 66 2.656 -24.916 33.076 1.00 0.00 N ATOM 1063 CZ ARG A 66 2.085 -24.272 34.089 1.00 0.00 C ATOM 1064 NH1 ARG A 66 1.037 -23.520 33.880 1.00 0.00 N ATOM 1065 NH2 ARG A 66 2.570 -24.392 35.294 1.00 0.00 N ATOM 0 H ARG A 66 1.686 -29.710 32.077 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.515 -27.823 32.276 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.989 -27.335 32.666 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.191 -27.460 30.929 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.508 -25.664 30.567 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.186 -25.583 32.287 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.908 -25.043 30.998 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.791 -23.800 31.525 1.00 0.00 H new ATOM 0 HE ARG A 66 3.482 -25.489 33.250 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.656 -23.427 32.938 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.600 -23.027 34.658 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.387 -24.980 35.459 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.132 -23.898 36.072 1.00 0.00 H new ATOM 1079 N LEU A 67 -0.003 -29.446 29.568 1.00 0.00 N ATOM 1080 CA LEU A 67 -0.451 -29.643 28.187 1.00 0.00 C ATOM 1081 C LEU A 67 -1.848 -29.063 27.979 1.00 0.00 C ATOM 1082 O LEU A 67 -2.254 -28.787 26.851 1.00 0.00 O ATOM 1083 CB LEU A 67 -0.481 -31.137 27.838 1.00 0.00 C ATOM 1084 CG LEU A 67 -1.214 -31.939 28.956 1.00 0.00 C ATOM 1085 CD1 LEU A 67 -2.326 -32.803 28.351 1.00 0.00 C ATOM 1086 CD2 LEU A 67 -0.220 -32.850 29.685 1.00 0.00 C ATOM 0 H LEU A 67 0.488 -30.243 29.973 1.00 0.00 H new ATOM 0 HA LEU A 67 0.255 -29.127 27.537 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.987 -31.284 26.884 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.536 -31.510 27.720 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.648 -31.228 29.659 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.829 -33.357 29.144 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.047 -32.164 27.842 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.894 -33.504 27.636 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.741 -33.407 30.464 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.222 -33.548 28.974 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.566 -32.244 30.135 1.00 0.00 H new ATOM 1098 N ASN A 68 -2.575 -28.881 29.074 1.00 0.00 N ATOM 1099 CA ASN A 68 -3.920 -28.329 28.994 1.00 0.00 C ATOM 1100 C ASN A 68 -3.884 -26.969 28.302 1.00 0.00 C ATOM 1101 O ASN A 68 -4.720 -26.675 27.448 1.00 0.00 O ATOM 1102 CB ASN A 68 -4.500 -28.188 30.405 1.00 0.00 C ATOM 1103 CG ASN A 68 -3.439 -27.634 31.355 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -2.701 -26.716 30.996 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -3.315 -28.140 32.550 1.00 0.00 N ATOM 0 H ASN A 68 -2.260 -29.105 30.018 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.552 -29.000 28.413 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.365 -27.525 30.387 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.849 -29.157 30.762 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.607 -27.775 33.187 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.926 -28.900 32.848 1.00 0.00 H new ATOM 1112 N ALA A 69 -2.898 -26.152 28.663 1.00 0.00 N ATOM 1113 CA ALA A 69 -2.750 -24.835 28.055 1.00 0.00 C ATOM 1114 C ALA A 69 -2.295 -24.969 26.603 1.00 0.00 C ATOM 1115 O ALA A 69 -2.744 -24.230 25.729 1.00 0.00 O ATOM 1116 CB ALA A 69 -1.730 -24.007 28.838 1.00 0.00 C ATOM 0 H ALA A 69 -2.196 -26.377 29.368 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.717 -24.332 28.079 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.627 -23.025 28.376 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.070 -23.890 29.867 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.766 -24.515 28.830 1.00 0.00 H new ATOM 1122 N PHE A 70 -1.399 -25.922 26.359 1.00 0.00 N ATOM 1123 CA PHE A 70 -0.884 -26.150 25.013 1.00 0.00 C ATOM 1124 C PHE A 70 -1.997 -26.621 24.091 1.00 0.00 C ATOM 1125 O PHE A 70 -2.019 -26.286 22.907 1.00 0.00 O ATOM 1126 CB PHE A 70 0.227 -27.197 25.036 1.00 0.00 C ATOM 1127 CG PHE A 70 1.442 -26.632 25.740 1.00 0.00 C ATOM 1128 CD1 PHE A 70 1.463 -26.540 27.137 1.00 0.00 C ATOM 1129 CD2 PHE A 70 2.544 -26.197 24.994 1.00 0.00 C ATOM 1130 CE1 PHE A 70 2.585 -26.014 27.787 1.00 0.00 C ATOM 1131 CE2 PHE A 70 3.666 -25.673 25.644 1.00 0.00 C ATOM 1132 CZ PHE A 70 3.688 -25.581 27.041 1.00 0.00 C ATOM 0 H PHE A 70 -1.017 -26.545 27.071 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.483 -25.207 24.641 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.117 -28.096 25.548 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.487 -27.489 24.018 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.613 -26.875 27.713 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.528 -26.266 23.916 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.600 -25.942 28.864 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.516 -25.339 25.068 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.555 -25.177 27.543 1.00 0.00 H new ATOM 1142 N ARG A 71 -2.921 -27.408 24.636 1.00 0.00 N ATOM 1143 CA ARG A 71 -4.027 -27.922 23.840 1.00 0.00 C ATOM 1144 C ARG A 71 -4.651 -26.794 23.030 1.00 0.00 C ATOM 1145 O ARG A 71 -5.274 -27.030 21.996 1.00 0.00 O ATOM 1146 CB ARG A 71 -5.078 -28.567 24.748 1.00 0.00 C ATOM 1147 CG ARG A 71 -6.316 -28.964 23.937 1.00 0.00 C ATOM 1148 CD ARG A 71 -7.293 -29.719 24.841 1.00 0.00 C ATOM 1149 NE ARG A 71 -7.795 -28.836 25.891 1.00 0.00 N ATOM 1150 CZ ARG A 71 -8.835 -28.033 25.677 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -9.407 -28.007 24.505 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -9.279 -27.269 26.638 1.00 0.00 N ATOM 0 H ARG A 71 -2.925 -27.700 25.613 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.647 -28.680 23.155 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.657 -29.447 25.234 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.361 -27.871 25.538 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.796 -28.076 23.526 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.026 -29.590 23.093 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.125 -30.102 24.250 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.796 -30.580 25.287 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.341 -28.835 26.804 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.057 -28.602 23.754 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.204 -27.392 24.340 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.829 -27.287 27.553 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.076 -26.654 26.474 1.00 0.00 H new ATOM 1166 N GLU A 72 -4.467 -25.567 23.501 1.00 0.00 N ATOM 1167 CA GLU A 72 -5.006 -24.414 22.798 1.00 0.00 C ATOM 1168 C GLU A 72 -4.340 -24.281 21.438 1.00 0.00 C ATOM 1169 O GLU A 72 -5.009 -24.121 20.418 1.00 0.00 O ATOM 1170 CB GLU A 72 -4.760 -23.143 23.613 1.00 0.00 C ATOM 1171 CG GLU A 72 -5.604 -23.180 24.886 1.00 0.00 C ATOM 1172 CD GLU A 72 -7.083 -23.059 24.535 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -7.376 -22.566 23.459 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -7.899 -23.464 25.346 1.00 0.00 O ATOM 0 H GLU A 72 -3.955 -25.348 24.356 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.079 -24.553 22.663 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.703 -23.061 23.867 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.015 -22.264 23.021 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.425 -24.111 25.424 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.312 -22.366 25.550 1.00 0.00 H new ATOM 1181 N LEU A 73 -3.015 -24.358 21.431 1.00 0.00 N ATOM 1182 CA LEU A 73 -2.262 -24.250 20.189 1.00 0.00 C ATOM 1183 C LEU A 73 -2.604 -25.433 19.279 1.00 0.00 C ATOM 1184 O LEU A 73 -2.789 -25.276 18.072 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.754 -24.227 20.503 1.00 0.00 C ATOM 1186 CG LEU A 73 0.011 -23.418 19.438 1.00 0.00 C ATOM 1187 CD1 LEU A 73 -0.296 -23.964 18.034 1.00 0.00 C ATOM 1188 CD2 LEU A 73 -0.385 -21.921 19.519 1.00 0.00 C ATOM 0 H LEU A 73 -2.444 -24.494 22.265 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.527 -23.326 19.675 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.589 -23.789 21.488 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.369 -25.246 20.539 1.00 0.00 H new ATOM 0 HG LEU A 73 1.080 -23.514 19.629 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.251 -23.384 17.290 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.009 -25.009 17.975 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.366 -23.887 17.840 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.162 -21.359 18.762 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.456 -21.818 19.345 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.139 -21.533 20.507 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.703 -26.614 19.880 1.00 0.00 N ATOM 1201 CA ARG A 74 -3.036 -27.819 19.134 1.00 0.00 C ATOM 1202 C ARG A 74 -4.419 -27.686 18.528 1.00 0.00 C ATOM 1203 O ARG A 74 -4.645 -28.047 17.373 1.00 0.00 O ATOM 1204 CB ARG A 74 -2.970 -29.042 20.052 1.00 0.00 C ATOM 1205 CG ARG A 74 -3.450 -30.276 19.295 1.00 0.00 C ATOM 1206 CD ARG A 74 -3.096 -31.536 20.082 1.00 0.00 C ATOM 1207 NE ARG A 74 -3.806 -31.560 21.354 1.00 0.00 N ATOM 1208 CZ ARG A 74 -3.543 -32.491 22.263 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -2.636 -33.398 22.021 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -4.190 -32.499 23.395 1.00 0.00 N ATOM 0 H ARG A 74 -2.558 -26.761 20.879 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.313 -27.951 18.329 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.949 -29.192 20.402 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.589 -28.881 20.935 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.528 -30.223 19.141 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.988 -30.311 18.308 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.353 -32.420 19.499 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.021 -31.572 20.258 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.514 -30.852 21.549 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.131 -33.390 21.135 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.432 -34.114 22.718 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.899 -31.790 23.582 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.988 -33.215 24.093 1.00 0.00 H new ATOM 1224 N THR A 75 -5.339 -27.150 19.313 1.00 0.00 N ATOM 1225 CA THR A 75 -6.697 -26.954 18.846 1.00 0.00 C ATOM 1226 C THR A 75 -6.710 -26.001 17.657 1.00 0.00 C ATOM 1227 O THR A 75 -7.395 -26.242 16.662 1.00 0.00 O ATOM 1228 CB THR A 75 -7.549 -26.394 19.965 1.00 0.00 C ATOM 1229 OG1 THR A 75 -7.616 -27.334 21.029 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.951 -26.103 19.444 1.00 0.00 C ATOM 0 H THR A 75 -5.169 -26.845 20.271 1.00 0.00 H new ATOM 0 HA THR A 75 -7.105 -27.915 18.532 1.00 0.00 H new ATOM 0 HB THR A 75 -7.104 -25.469 20.331 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.709 -27.554 21.328 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.563 -25.700 20.251 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.894 -25.376 18.634 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.400 -27.025 19.074 1.00 0.00 H new ATOM 1238 N GLN A 76 -5.947 -24.917 17.766 1.00 0.00 N ATOM 1239 CA GLN A 76 -5.876 -23.933 16.691 1.00 0.00 C ATOM 1240 C GLN A 76 -5.377 -24.603 15.413 1.00 0.00 C ATOM 1241 O GLN A 76 -5.897 -24.350 14.327 1.00 0.00 O ATOM 1242 CB GLN A 76 -4.925 -22.788 17.092 1.00 0.00 C ATOM 1243 CG GLN A 76 -5.688 -21.723 17.889 1.00 0.00 C ATOM 1244 CD GLN A 76 -6.432 -22.367 19.054 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -7.295 -23.221 18.845 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -6.151 -22.005 20.275 1.00 0.00 N ATOM 0 H GLN A 76 -5.374 -24.699 18.581 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.870 -23.522 16.514 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.102 -23.181 17.690 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.486 -22.341 16.200 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.993 -20.971 18.263 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.394 -21.208 17.238 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.436 -21.298 20.446 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.646 -22.429 21.059 1.00 0.00 H new ATOM 1255 N LEU A 77 -4.380 -25.467 15.554 1.00 0.00 N ATOM 1256 CA LEU A 77 -3.834 -26.172 14.403 1.00 0.00 C ATOM 1257 C LEU A 77 -4.901 -27.061 13.779 1.00 0.00 C ATOM 1258 O LEU A 77 -5.037 -27.119 12.557 1.00 0.00 O ATOM 1259 CB LEU A 77 -2.638 -27.029 14.826 1.00 0.00 C ATOM 1260 CG LEU A 77 -1.443 -26.133 15.198 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -0.324 -26.996 15.784 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.922 -25.395 13.948 1.00 0.00 C ATOM 0 H LEU A 77 -3.937 -25.695 16.444 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.505 -25.436 13.670 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.912 -27.653 15.677 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.359 -27.701 14.015 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.766 -25.398 15.935 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.523 -26.363 16.048 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.687 -27.507 16.676 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.009 -27.734 15.046 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.077 -24.764 14.224 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.603 -26.123 13.202 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.717 -24.775 13.534 1.00 0.00 H new ATOM 1274 N GLU A 78 -5.658 -27.745 14.626 1.00 0.00 N ATOM 1275 CA GLU A 78 -6.717 -28.623 14.146 1.00 0.00 C ATOM 1276 C GLU A 78 -7.844 -27.803 13.526 1.00 0.00 C ATOM 1277 O GLU A 78 -8.404 -28.177 12.495 1.00 0.00 O ATOM 1278 CB GLU A 78 -7.262 -29.461 15.309 1.00 0.00 C ATOM 1279 CG GLU A 78 -8.180 -30.567 14.776 1.00 0.00 C ATOM 1280 CD GLU A 78 -9.518 -29.977 14.345 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -9.940 -29.008 14.954 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -10.100 -30.500 13.408 1.00 0.00 O ATOM 0 H GLU A 78 -5.560 -27.710 15.641 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.307 -29.286 13.385 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.437 -29.901 15.869 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.812 -28.823 16.001 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.706 -31.068 13.932 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.338 -31.322 15.547 1.00 0.00 H new ATOM 1289 N LYS A 79 -8.168 -26.678 14.160 1.00 0.00 N ATOM 1290 CA LYS A 79 -9.222 -25.806 13.666 1.00 0.00 C ATOM 1291 C LYS A 79 -8.811 -25.205 12.332 1.00 0.00 C ATOM 1292 O LYS A 79 -9.597 -25.161 11.386 1.00 0.00 O ATOM 1293 CB LYS A 79 -9.492 -24.691 14.677 1.00 0.00 C ATOM 1294 CG LYS A 79 -10.687 -23.851 14.209 1.00 0.00 C ATOM 1295 CD LYS A 79 -10.962 -22.719 15.209 1.00 0.00 C ATOM 1296 CE LYS A 79 -11.638 -23.264 16.473 1.00 0.00 C ATOM 1297 NZ LYS A 79 -12.170 -22.126 17.273 1.00 0.00 N ATOM 0 H LYS A 79 -7.715 -26.353 15.014 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.132 -26.390 13.529 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.697 -25.118 15.659 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.610 -24.060 14.782 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.484 -23.434 13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.570 -24.483 14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.027 -22.227 15.475 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.599 -21.965 14.746 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.446 -23.944 16.203 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.923 -23.837 17.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.630 -22.490 18.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.388 -21.494 17.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.864 -21.598 16.706 1.00 0.00 H new ATOM 1311 N ALA A 80 -7.567 -24.743 12.267 1.00 0.00 N ATOM 1312 CA ALA A 80 -7.051 -24.147 11.047 1.00 0.00 C ATOM 1313 C ALA A 80 -7.011 -25.179 9.930 1.00 0.00 C ATOM 1314 O ALA A 80 -6.992 -24.834 8.748 1.00 0.00 O ATOM 1315 CB ALA A 80 -5.648 -23.587 11.272 1.00 0.00 C ATOM 0 H ALA A 80 -6.903 -24.771 13.041 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.716 -23.332 10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.280 -23.145 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.681 -22.824 12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.980 -24.391 11.581 1.00 0.00 H new ATOM 1321 N LEU A 81 -6.987 -26.449 10.316 1.00 0.00 N ATOM 1322 CA LEU A 81 -6.932 -27.531 9.342 1.00 0.00 C ATOM 1323 C LEU A 81 -8.163 -27.472 8.435 1.00 0.00 C ATOM 1324 O LEU A 81 -8.071 -27.709 7.233 1.00 0.00 O ATOM 1325 CB LEU A 81 -6.865 -28.885 10.074 1.00 0.00 C ATOM 1326 CG LEU A 81 -6.051 -29.904 9.251 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -6.626 -30.012 7.829 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -4.562 -29.475 9.188 1.00 0.00 C ATOM 0 H LEU A 81 -7.005 -26.753 11.289 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.039 -27.422 8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.408 -28.753 11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.873 -29.265 10.241 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.117 -30.878 9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.045 -30.734 7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.664 -30.341 7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.577 -29.038 7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.998 -30.203 8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.485 -28.495 8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.154 -29.426 10.198 1.00 0.00 H new ATOM 1340 N GLY A 82 -9.310 -27.136 9.017 1.00 0.00 N ATOM 1341 CA GLY A 82 -10.541 -27.034 8.245 1.00 0.00 C ATOM 1342 C GLY A 82 -10.440 -25.901 7.228 1.00 0.00 C ATOM 1343 O GLY A 82 -11.418 -25.560 6.561 1.00 0.00 O ATOM 0 H GLY A 82 -9.412 -26.932 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.735 -27.976 7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.383 -26.857 8.914 1.00 0.00 H new ATOM 1347 N LEU A 83 -9.244 -25.323 7.114 1.00 0.00 N ATOM 1348 CA LEU A 83 -9.007 -24.233 6.176 1.00 0.00 C ATOM 1349 C LEU A 83 -9.930 -23.060 6.479 1.00 0.00 C ATOM 1350 O LEU A 83 -10.418 -22.388 5.570 1.00 0.00 O ATOM 1351 CB LEU A 83 -9.241 -24.718 4.743 1.00 0.00 C ATOM 1352 CG LEU A 83 -8.430 -25.994 4.487 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -8.709 -26.498 3.068 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -6.927 -25.708 4.645 1.00 0.00 C ATOM 0 H LEU A 83 -8.426 -25.594 7.661 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.974 -23.903 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.302 -24.912 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.949 -23.943 4.035 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.723 -26.754 5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.133 -27.405 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.772 -26.715 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.421 -25.733 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.361 -26.621 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.625 -24.944 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.728 -25.356 5.657 1.00 0.00 H new