USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 882 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 57 GLN : amide:sc= 0.426 K(o=0.62,f=-1.6) USER MOD Set 1.2: A 79 SER OG : rot -60:sc= 0.19 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 48:sc= 0.459 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.06) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00535 X(o=-0.0053,f=0) USER MOD Single : A 21 SER OG : rot 111:sc= 1.2 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 46 THR OG1 : rot -130:sc= -0.156 USER MOD Single : A 47 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -50:sc= -6.86! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.68 K(o=-1.7,f=-2.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.81! C(o=-2.8!,f=-11!) USER MOD Single : A 77 ASN : amide:sc= -0.698 X(o=-0.7,f=-1) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.153 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -4.83! C(o=-4.8!,f=-6.3!) USER MOD Single : A 107 TYR OH : rot 165:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.112 -25.809 -16.060 1.00 0.00 N ATOM 2 CA GLY A 1 -35.749 -25.956 -16.540 1.00 0.00 C ATOM 3 C GLY A 1 -35.227 -24.641 -17.122 1.00 0.00 C ATOM 4 O GLY A 1 -35.734 -24.162 -18.135 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.442 -26.715 -15.670 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.142 -25.081 -15.318 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.729 -25.526 -16.848 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.104 -26.277 -15.722 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.710 -26.735 -17.301 1.00 0.00 H new ATOM 8 N SER A 2 -34.221 -24.094 -16.455 1.00 0.00 N ATOM 9 CA SER A 2 -33.625 -22.844 -16.893 1.00 0.00 C ATOM 10 C SER A 2 -32.278 -22.635 -16.199 1.00 0.00 C ATOM 11 O SER A 2 -32.135 -22.925 -15.012 1.00 0.00 O ATOM 12 CB SER A 2 -34.555 -21.662 -16.612 1.00 0.00 C ATOM 13 OG SER A 2 -34.167 -20.494 -17.330 1.00 0.00 O ATOM 0 H SER A 2 -33.804 -24.494 -15.614 1.00 0.00 H new ATOM 0 HA SER A 2 -33.467 -22.900 -17.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.576 -21.932 -16.883 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.555 -21.447 -15.543 1.00 0.00 H new ATOM 0 HG SER A 2 -34.787 -19.763 -17.125 1.00 0.00 H new ATOM 19 N SER A 3 -31.323 -22.133 -16.968 1.00 0.00 N ATOM 20 CA SER A 3 -29.992 -21.882 -16.442 1.00 0.00 C ATOM 21 C SER A 3 -29.176 -21.069 -17.449 1.00 0.00 C ATOM 22 O SER A 3 -29.421 -21.138 -18.652 1.00 0.00 O ATOM 23 CB SER A 3 -29.274 -23.192 -16.112 1.00 0.00 C ATOM 24 OG SER A 3 -29.335 -23.498 -14.721 1.00 0.00 O ATOM 0 H SER A 3 -31.445 -21.893 -17.952 1.00 0.00 H new ATOM 0 HA SER A 3 -30.091 -21.311 -15.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.723 -24.005 -16.682 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.232 -23.122 -16.423 1.00 0.00 H new ATOM 0 HG SER A 3 -30.258 -23.401 -14.405 1.00 0.00 H new ATOM 30 N GLY A 4 -28.222 -20.317 -16.920 1.00 0.00 N ATOM 31 CA GLY A 4 -27.368 -19.492 -17.757 1.00 0.00 C ATOM 32 C GLY A 4 -26.472 -18.591 -16.906 1.00 0.00 C ATOM 33 O GLY A 4 -25.530 -19.065 -16.273 1.00 0.00 O ATOM 0 H GLY A 4 -28.022 -20.262 -15.921 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.752 -20.128 -18.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.982 -18.880 -18.418 1.00 0.00 H new ATOM 37 N SER A 5 -26.796 -17.306 -16.919 1.00 0.00 N ATOM 38 CA SER A 5 -26.032 -16.334 -16.156 1.00 0.00 C ATOM 39 C SER A 5 -26.964 -15.536 -15.241 1.00 0.00 C ATOM 40 O SER A 5 -28.149 -15.386 -15.536 1.00 0.00 O ATOM 41 CB SER A 5 -25.262 -15.390 -17.082 1.00 0.00 C ATOM 42 OG SER A 5 -26.134 -14.556 -17.840 1.00 0.00 O ATOM 0 H SER A 5 -27.577 -16.916 -17.446 1.00 0.00 H new ATOM 0 HA SER A 5 -25.307 -16.872 -15.545 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.591 -14.769 -16.489 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.640 -15.975 -17.760 1.00 0.00 H new ATOM 0 HG SER A 5 -25.604 -13.967 -18.417 1.00 0.00 H new ATOM 48 N SER A 6 -26.394 -15.047 -14.150 1.00 0.00 N ATOM 49 CA SER A 6 -27.159 -14.269 -13.191 1.00 0.00 C ATOM 50 C SER A 6 -26.213 -13.504 -12.264 1.00 0.00 C ATOM 51 O SER A 6 -25.628 -14.085 -11.351 1.00 0.00 O ATOM 52 CB SER A 6 -28.093 -15.165 -12.374 1.00 0.00 C ATOM 53 OG SER A 6 -29.231 -14.454 -11.895 1.00 0.00 O ATOM 0 H SER A 6 -25.411 -15.174 -13.909 1.00 0.00 H new ATOM 0 HA SER A 6 -27.773 -13.556 -13.742 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.421 -16.003 -12.989 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.546 -15.585 -11.530 1.00 0.00 H new ATOM 0 HG SER A 6 -29.803 -15.061 -11.380 1.00 0.00 H new ATOM 59 N GLY A 7 -26.092 -12.211 -12.530 1.00 0.00 N ATOM 60 CA GLY A 7 -25.226 -11.361 -11.731 1.00 0.00 C ATOM 61 C GLY A 7 -25.311 -9.904 -12.192 1.00 0.00 C ATOM 62 O GLY A 7 -26.346 -9.468 -12.694 1.00 0.00 O ATOM 0 H GLY A 7 -26.579 -11.732 -13.287 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.510 -11.431 -10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.196 -11.711 -11.807 1.00 0.00 H new ATOM 66 N MET A 8 -24.209 -9.193 -12.006 1.00 0.00 N ATOM 67 CA MET A 8 -24.145 -7.795 -12.398 1.00 0.00 C ATOM 68 C MET A 8 -22.808 -7.474 -13.069 1.00 0.00 C ATOM 69 O MET A 8 -22.778 -6.987 -14.198 1.00 0.00 O ATOM 70 CB MET A 8 -24.322 -6.911 -11.162 1.00 0.00 C ATOM 71 CG MET A 8 -25.778 -6.909 -10.692 1.00 0.00 C ATOM 72 SD MET A 8 -25.849 -6.683 -8.923 1.00 0.00 S ATOM 73 CE MET A 8 -26.552 -8.251 -8.438 1.00 0.00 C ATOM 0 H MET A 8 -23.353 -9.559 -11.589 1.00 0.00 H new ATOM 0 HA MET A 8 -24.944 -7.600 -13.113 1.00 0.00 H new ATOM 0 HB2 MET A 8 -23.678 -7.269 -10.359 1.00 0.00 H new ATOM 0 HB3 MET A 8 -24.009 -5.892 -11.391 1.00 0.00 H new ATOM 0 HG2 MET A 8 -26.329 -6.112 -11.191 1.00 0.00 H new ATOM 0 HG3 MET A 8 -26.258 -7.848 -10.966 1.00 0.00 H new ATOM 0 HE1 MET A 8 -26.665 -8.279 -7.354 1.00 0.00 H new ATOM 0 HE2 MET A 8 -27.528 -8.373 -8.908 1.00 0.00 H new ATOM 0 HE3 MET A 8 -25.893 -9.059 -8.755 1.00 0.00 H new ATOM 83 N SER A 9 -21.736 -7.759 -12.345 1.00 0.00 N ATOM 84 CA SER A 9 -20.399 -7.506 -12.856 1.00 0.00 C ATOM 85 C SER A 9 -19.623 -8.820 -12.965 1.00 0.00 C ATOM 86 O SER A 9 -19.903 -9.772 -12.237 1.00 0.00 O ATOM 87 CB SER A 9 -19.646 -6.517 -11.965 1.00 0.00 C ATOM 88 OG SER A 9 -18.829 -5.629 -12.723 1.00 0.00 O ATOM 0 H SER A 9 -21.766 -8.163 -11.409 1.00 0.00 H new ATOM 0 HA SER A 9 -20.491 -7.062 -13.847 1.00 0.00 H new ATOM 0 HB2 SER A 9 -20.361 -5.940 -11.379 1.00 0.00 H new ATOM 0 HB3 SER A 9 -19.025 -7.067 -11.258 1.00 0.00 H new ATOM 0 HG SER A 9 -18.367 -5.013 -12.117 1.00 0.00 H new ATOM 94 N GLN A 10 -18.664 -8.830 -13.879 1.00 0.00 N ATOM 95 CA GLN A 10 -17.846 -10.012 -14.091 1.00 0.00 C ATOM 96 C GLN A 10 -16.362 -9.656 -13.983 1.00 0.00 C ATOM 97 O GLN A 10 -15.767 -9.162 -14.939 1.00 0.00 O ATOM 98 CB GLN A 10 -18.157 -10.658 -15.443 1.00 0.00 C ATOM 99 CG GLN A 10 -18.030 -12.181 -15.364 1.00 0.00 C ATOM 100 CD GLN A 10 -18.028 -12.804 -16.762 1.00 0.00 C ATOM 101 OE1 GLN A 10 -17.248 -12.444 -17.628 1.00 0.00 O ATOM 102 NE2 GLN A 10 -18.942 -13.755 -16.932 1.00 0.00 N ATOM 0 H GLN A 10 -18.435 -8.039 -14.481 1.00 0.00 H new ATOM 0 HA GLN A 10 -18.083 -10.739 -13.314 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -19.166 -10.389 -15.755 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.475 -10.271 -16.201 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.110 -12.446 -14.842 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -18.856 -12.589 -14.781 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.564 -14.008 -16.164 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -19.021 -14.232 -17.830 1.00 0.00 H new ATOM 111 N LEU A 11 -15.807 -9.923 -12.809 1.00 0.00 N ATOM 112 CA LEU A 11 -14.403 -9.637 -12.563 1.00 0.00 C ATOM 113 C LEU A 11 -13.849 -10.651 -11.561 1.00 0.00 C ATOM 114 O LEU A 11 -12.938 -11.412 -11.883 1.00 0.00 O ATOM 115 CB LEU A 11 -14.221 -8.181 -12.130 1.00 0.00 C ATOM 116 CG LEU A 11 -14.852 -7.126 -13.040 1.00 0.00 C ATOM 117 CD1 LEU A 11 -14.902 -5.763 -12.347 1.00 0.00 C ATOM 118 CD2 LEU A 11 -14.126 -7.058 -14.386 1.00 0.00 C ATOM 0 H LEU A 11 -16.304 -10.334 -12.019 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.825 -9.747 -13.480 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.638 -8.066 -11.130 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.153 -7.976 -12.056 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.881 -7.422 -13.243 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.355 -5.031 -13.016 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -15.496 -5.839 -11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.890 -5.446 -12.094 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.594 -6.300 -15.014 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.080 -6.798 -14.223 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.186 -8.027 -14.881 1.00 0.00 H new ATOM 130 N GLY A 12 -14.422 -10.629 -10.367 1.00 0.00 N ATOM 131 CA GLY A 12 -13.997 -11.537 -9.316 1.00 0.00 C ATOM 132 C GLY A 12 -12.472 -11.660 -9.281 1.00 0.00 C ATOM 133 O GLY A 12 -11.903 -12.557 -9.901 1.00 0.00 O ATOM 0 H GLY A 12 -15.178 -9.996 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.359 -11.178 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.441 -12.519 -9.478 1.00 0.00 H new ATOM 137 N SER A 13 -11.853 -10.745 -8.549 1.00 0.00 N ATOM 138 CA SER A 13 -10.406 -10.739 -8.425 1.00 0.00 C ATOM 139 C SER A 13 -9.915 -12.111 -7.959 1.00 0.00 C ATOM 140 O SER A 13 -10.716 -12.967 -7.585 1.00 0.00 O ATOM 141 CB SER A 13 -9.940 -9.651 -7.455 1.00 0.00 C ATOM 142 OG SER A 13 -10.561 -8.397 -7.722 1.00 0.00 O ATOM 0 H SER A 13 -12.328 -10.002 -8.036 1.00 0.00 H new ATOM 0 HA SER A 13 -9.980 -10.521 -9.404 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.164 -9.956 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.858 -9.542 -7.525 1.00 0.00 H new ATOM 0 HG SER A 13 -10.239 -7.729 -7.081 1.00 0.00 H new ATOM 148 N ARG A 14 -8.601 -12.278 -7.996 1.00 0.00 N ATOM 149 CA ARG A 14 -7.994 -13.532 -7.582 1.00 0.00 C ATOM 150 C ARG A 14 -7.224 -13.342 -6.273 1.00 0.00 C ATOM 151 O ARG A 14 -6.511 -14.242 -5.832 1.00 0.00 O ATOM 152 CB ARG A 14 -7.040 -14.062 -8.654 1.00 0.00 C ATOM 153 CG ARG A 14 -7.798 -14.416 -9.935 1.00 0.00 C ATOM 154 CD ARG A 14 -7.355 -15.777 -10.477 1.00 0.00 C ATOM 155 NE ARG A 14 -8.539 -16.604 -10.799 1.00 0.00 N ATOM 156 CZ ARG A 14 -9.354 -17.140 -9.881 1.00 0.00 C ATOM 157 NH1 ARG A 14 -9.118 -16.939 -8.577 1.00 0.00 N ATOM 158 NH2 ARG A 14 -10.405 -17.876 -10.266 1.00 0.00 N ATOM 0 H ARG A 14 -7.940 -11.566 -8.306 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.795 -14.256 -7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.280 -13.312 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.520 -14.944 -8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.869 -14.432 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.625 -13.647 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.743 -15.641 -11.369 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.735 -16.287 -9.740 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.748 -16.777 -11.782 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.318 -16.378 -8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.738 -17.347 -7.878 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.585 -18.028 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.025 -18.284 -9.567 1.00 0.00 H new ATOM 172 N GLY A 15 -7.395 -12.165 -5.689 1.00 0.00 N ATOM 173 CA GLY A 15 -6.725 -11.846 -4.439 1.00 0.00 C ATOM 174 C GLY A 15 -7.092 -10.438 -3.964 1.00 0.00 C ATOM 175 O GLY A 15 -7.985 -9.804 -4.524 1.00 0.00 O ATOM 0 H GLY A 15 -7.987 -11.421 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.003 -12.575 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.646 -11.919 -4.572 1.00 0.00 H new ATOM 179 N ARG A 16 -6.384 -9.992 -2.937 1.00 0.00 N ATOM 180 CA ARG A 16 -6.625 -8.671 -2.380 1.00 0.00 C ATOM 181 C ARG A 16 -5.299 -7.997 -2.021 1.00 0.00 C ATOM 182 O ARG A 16 -4.376 -8.652 -1.539 1.00 0.00 O ATOM 183 CB ARG A 16 -7.503 -8.752 -1.130 1.00 0.00 C ATOM 184 CG ARG A 16 -8.623 -7.711 -1.179 1.00 0.00 C ATOM 185 CD ARG A 16 -9.901 -8.249 -0.531 1.00 0.00 C ATOM 186 NE ARG A 16 -10.900 -8.572 -1.574 1.00 0.00 N ATOM 187 CZ ARG A 16 -12.113 -9.081 -1.320 1.00 0.00 C ATOM 188 NH1 ARG A 16 -12.484 -9.329 -0.057 1.00 0.00 N ATOM 189 NH2 ARG A 16 -12.954 -9.343 -2.330 1.00 0.00 N ATOM 0 H ARG A 16 -5.644 -10.521 -2.476 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.143 -8.082 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.933 -9.750 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.892 -8.593 -0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.304 -6.804 -0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.824 -7.436 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.674 -9.140 0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.309 -7.509 0.158 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.649 -8.396 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.843 -9.130 0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.407 -9.716 0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.670 -9.155 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.878 -9.731 -2.137 1.00 0.00 H new ATOM 203 N LEU A 17 -5.246 -6.697 -2.270 1.00 0.00 N ATOM 204 CA LEU A 17 -4.049 -5.927 -1.979 1.00 0.00 C ATOM 205 C LEU A 17 -4.081 -5.475 -0.517 1.00 0.00 C ATOM 206 O LEU A 17 -5.154 -5.300 0.058 1.00 0.00 O ATOM 207 CB LEU A 17 -3.896 -4.776 -2.975 1.00 0.00 C ATOM 208 CG LEU A 17 -3.505 -5.171 -4.401 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.092 -4.194 -5.421 1.00 0.00 C ATOM 210 CD2 LEU A 17 -1.987 -5.298 -4.537 1.00 0.00 C ATOM 0 H LEU A 17 -6.013 -6.157 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.160 -6.545 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.838 -4.229 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.144 -4.087 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.931 -6.152 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.799 -4.498 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.179 -4.197 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.717 -3.190 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.736 -5.580 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.519 -4.343 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.623 -6.062 -3.850 1.00 0.00 H new ATOM 222 N TRP A 18 -2.893 -5.299 0.041 1.00 0.00 N ATOM 223 CA TRP A 18 -2.771 -4.871 1.424 1.00 0.00 C ATOM 224 C TRP A 18 -1.321 -4.446 1.662 1.00 0.00 C ATOM 225 O TRP A 18 -0.426 -4.833 0.912 1.00 0.00 O ATOM 226 CB TRP A 18 -3.237 -5.969 2.381 1.00 0.00 C ATOM 227 CG TRP A 18 -2.629 -7.344 2.095 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.041 -8.260 1.208 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.474 -7.924 2.737 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.240 -9.383 1.232 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.257 -9.172 2.192 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.641 -7.410 3.747 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.210 -10.012 2.591 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.401 -8.261 4.134 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.633 -9.521 3.595 1.00 0.00 C ATOM 0 H TRP A 18 -2.005 -5.445 -0.440 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.420 -4.018 1.622 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.987 -5.678 3.401 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.323 -6.045 2.329 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.893 -8.135 0.556 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.349 -10.215 0.652 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.793 -6.436 4.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.061 -10.986 2.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.072 -7.914 4.906 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.460 -10.119 3.949 1.00 0.00 H new ATOM 246 N LEU A 19 -1.133 -3.656 2.709 1.00 0.00 N ATOM 247 CA LEU A 19 0.193 -3.175 3.055 1.00 0.00 C ATOM 248 C LEU A 19 0.687 -3.908 4.304 1.00 0.00 C ATOM 249 O LEU A 19 0.000 -3.936 5.324 1.00 0.00 O ATOM 250 CB LEU A 19 0.191 -1.652 3.197 1.00 0.00 C ATOM 251 CG LEU A 19 -0.455 -0.873 2.050 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.835 0.542 2.493 1.00 0.00 C ATOM 253 CD2 LEU A 19 0.449 -0.863 0.816 1.00 0.00 C ATOM 0 H LEU A 19 -1.878 -3.337 3.329 1.00 0.00 H new ATOM 0 HA LEU A 19 0.899 -3.396 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.325 -1.394 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.222 -1.315 3.303 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.377 -1.381 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.292 1.074 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.543 0.487 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.059 1.074 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.034 -0.303 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.400 -0.392 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.626 -1.887 0.486 1.00 0.00 H new ATOM 265 N GLN A 20 1.874 -4.484 4.183 1.00 0.00 N ATOM 266 CA GLN A 20 2.468 -5.215 5.290 1.00 0.00 C ATOM 267 C GLN A 20 3.419 -4.310 6.075 1.00 0.00 C ATOM 268 O GLN A 20 4.563 -4.108 5.673 1.00 0.00 O ATOM 269 CB GLN A 20 3.190 -6.469 4.793 1.00 0.00 C ATOM 270 CG GLN A 20 3.447 -7.445 5.943 1.00 0.00 C ATOM 271 CD GLN A 20 4.150 -8.709 5.443 1.00 0.00 C ATOM 272 OE1 GLN A 20 5.261 -8.675 4.941 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.443 -9.823 5.609 1.00 0.00 N ATOM 0 H GLN A 20 2.441 -4.459 3.335 1.00 0.00 H new ATOM 0 HA GLN A 20 1.669 -5.536 5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.591 -6.957 4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.136 -6.189 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.059 -6.962 6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.502 -7.713 6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.518 -9.781 6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.826 -10.719 5.309 1.00 0.00 H new ATOM 282 N SER A 21 2.909 -3.788 7.181 1.00 0.00 N ATOM 283 CA SER A 21 3.698 -2.908 8.026 1.00 0.00 C ATOM 284 C SER A 21 4.833 -3.695 8.685 1.00 0.00 C ATOM 285 O SER A 21 4.687 -4.883 8.968 1.00 0.00 O ATOM 286 CB SER A 21 2.827 -2.241 9.093 1.00 0.00 C ATOM 287 OG SER A 21 1.522 -2.810 9.148 1.00 0.00 O ATOM 0 H SER A 21 1.959 -3.958 7.511 1.00 0.00 H new ATOM 0 HA SER A 21 4.123 -2.124 7.400 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.307 -2.340 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.749 -1.174 8.883 1.00 0.00 H new ATOM 0 HG SER A 21 1.419 -3.311 9.984 1.00 0.00 H new ATOM 293 N PRO A 22 5.969 -2.983 8.915 1.00 0.00 N ATOM 294 CA PRO A 22 7.128 -3.602 9.534 1.00 0.00 C ATOM 295 C PRO A 22 6.907 -3.801 11.035 1.00 0.00 C ATOM 296 O PRO A 22 6.052 -3.148 11.632 1.00 0.00 O ATOM 297 CB PRO A 22 8.286 -2.668 9.223 1.00 0.00 C ATOM 298 CG PRO A 22 7.658 -1.337 8.845 1.00 0.00 C ATOM 299 CD PRO A 22 6.178 -1.575 8.592 1.00 0.00 C ATOM 0 HA PRO A 22 7.326 -4.602 9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.942 -2.559 10.086 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.894 -3.058 8.407 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.796 -0.609 9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.137 -0.928 7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.561 -0.929 9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.914 -1.363 7.556 1.00 0.00 H new ATOM 307 N THR A 23 7.693 -4.704 11.602 1.00 0.00 N ATOM 308 CA THR A 23 7.594 -4.996 13.022 1.00 0.00 C ATOM 309 C THR A 23 7.378 -3.708 13.818 1.00 0.00 C ATOM 310 O THR A 23 7.670 -2.617 13.331 1.00 0.00 O ATOM 311 CB THR A 23 8.852 -5.763 13.436 1.00 0.00 C ATOM 312 OG1 THR A 23 8.646 -6.049 14.816 1.00 0.00 O ATOM 313 CG2 THR A 23 10.104 -4.884 13.421 1.00 0.00 C ATOM 0 H THR A 23 8.401 -5.243 11.104 1.00 0.00 H new ATOM 0 HA THR A 23 6.728 -5.622 13.237 1.00 0.00 H new ATOM 0 HB THR A 23 8.996 -6.612 12.768 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.414 -6.547 15.165 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.968 -5.476 13.722 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.264 -4.495 12.415 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.974 -4.053 14.115 1.00 0.00 H new ATOM 321 N GLY A 24 6.868 -3.877 15.030 1.00 0.00 N ATOM 322 CA GLY A 24 6.610 -2.741 15.898 1.00 0.00 C ATOM 323 C GLY A 24 5.745 -1.696 15.191 1.00 0.00 C ATOM 324 O GLY A 24 5.992 -0.497 15.310 1.00 0.00 O ATOM 0 H GLY A 24 6.627 -4.783 15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.110 -3.079 16.806 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.554 -2.290 16.203 1.00 0.00 H new ATOM 328 N GLY A 25 4.748 -2.189 14.470 1.00 0.00 N ATOM 329 CA GLY A 25 3.845 -1.313 13.743 1.00 0.00 C ATOM 330 C GLY A 25 2.415 -1.854 13.773 1.00 0.00 C ATOM 331 O GLY A 25 2.126 -2.817 14.481 1.00 0.00 O ATOM 0 H GLY A 25 4.546 -3.184 14.374 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.869 -0.315 14.181 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.179 -1.216 12.710 1.00 0.00 H new ATOM 335 N PRO A 26 1.534 -1.193 12.974 1.00 0.00 N ATOM 336 CA PRO A 26 0.140 -1.598 12.901 1.00 0.00 C ATOM 337 C PRO A 26 -0.017 -2.877 12.077 1.00 0.00 C ATOM 338 O PRO A 26 0.946 -3.361 11.485 1.00 0.00 O ATOM 339 CB PRO A 26 -0.584 -0.407 12.295 1.00 0.00 C ATOM 340 CG PRO A 26 0.488 0.435 11.624 1.00 0.00 C ATOM 341 CD PRO A 26 1.841 -0.048 12.121 1.00 0.00 C ATOM 0 HA PRO A 26 -0.278 -1.847 13.877 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.334 -0.732 11.574 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.106 0.165 13.062 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.424 0.341 10.540 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.349 1.490 11.861 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.489 -0.334 11.292 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.361 0.732 12.677 1.00 0.00 H new ATOM 349 N PRO A 27 -1.272 -3.401 12.063 1.00 0.00 N ATOM 350 CA PRO A 27 -1.568 -4.614 11.321 1.00 0.00 C ATOM 351 C PRO A 27 -1.631 -4.336 9.818 1.00 0.00 C ATOM 352 O PRO A 27 -1.554 -3.184 9.392 1.00 0.00 O ATOM 353 CB PRO A 27 -2.888 -5.111 11.889 1.00 0.00 C ATOM 354 CG PRO A 27 -3.512 -3.919 12.596 1.00 0.00 C ATOM 355 CD PRO A 27 -2.438 -2.855 12.752 1.00 0.00 C ATOM 0 HA PRO A 27 -0.793 -5.372 11.429 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.540 -5.481 11.097 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.729 -5.937 12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.353 -3.531 12.021 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.901 -4.214 13.570 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.751 -1.909 12.311 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.222 -2.661 13.803 1.00 0.00 H new ATOM 363 N PRO A 28 -1.774 -5.439 9.034 1.00 0.00 N ATOM 364 CA PRO A 28 -1.848 -5.325 7.588 1.00 0.00 C ATOM 365 C PRO A 28 -3.214 -4.793 7.149 1.00 0.00 C ATOM 366 O PRO A 28 -4.228 -5.471 7.309 1.00 0.00 O ATOM 367 CB PRO A 28 -1.559 -6.723 7.068 1.00 0.00 C ATOM 368 CG PRO A 28 -1.794 -7.661 8.241 1.00 0.00 C ATOM 369 CD PRO A 28 -1.868 -6.818 9.503 1.00 0.00 C ATOM 0 HA PRO A 28 -1.132 -4.609 7.185 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.213 -6.972 6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.534 -6.801 6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.718 -8.222 8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.987 -8.389 8.315 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.800 -6.991 10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.056 -7.059 10.189 1.00 0.00 H new ATOM 377 N ILE A 29 -3.197 -3.586 6.603 1.00 0.00 N ATOM 378 CA ILE A 29 -4.421 -2.956 6.140 1.00 0.00 C ATOM 379 C ILE A 29 -4.714 -3.412 4.709 1.00 0.00 C ATOM 380 O ILE A 29 -3.796 -3.596 3.912 1.00 0.00 O ATOM 381 CB ILE A 29 -4.335 -1.437 6.296 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.161 -1.045 7.765 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.545 -0.750 5.659 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.781 -0.430 8.009 1.00 0.00 C ATOM 0 H ILE A 29 -2.354 -3.027 6.471 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.266 -3.268 6.754 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.450 -1.089 5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.936 -0.333 8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.288 -1.924 8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.458 0.329 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.582 -0.990 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.458 -1.099 6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.684 -0.160 9.061 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.009 -1.153 7.747 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.666 0.462 7.394 1.00 0.00 H new ATOM 396 N PHE A 30 -5.998 -3.581 4.427 1.00 0.00 N ATOM 397 CA PHE A 30 -6.423 -4.012 3.106 1.00 0.00 C ATOM 398 C PHE A 30 -7.056 -2.855 2.330 1.00 0.00 C ATOM 399 O PHE A 30 -8.183 -2.453 2.616 1.00 0.00 O ATOM 400 CB PHE A 30 -7.472 -5.107 3.309 1.00 0.00 C ATOM 401 CG PHE A 30 -6.883 -6.471 3.676 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.327 -6.665 4.901 1.00 0.00 C ATOM 403 CD2 PHE A 30 -6.916 -7.490 2.775 1.00 0.00 C ATOM 404 CE1 PHE A 30 -5.781 -7.931 5.241 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.370 -8.756 3.115 1.00 0.00 C ATOM 406 CZ PHE A 30 -5.814 -8.950 4.341 1.00 0.00 C ATOM 0 H PHE A 30 -6.757 -3.427 5.091 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.565 -4.370 2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.160 -4.796 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.058 -5.209 2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.300 -5.856 5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.357 -7.336 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.339 -8.085 6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.396 -9.565 2.400 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.399 -9.913 4.600 1.00 0.00 H new ATOM 416 N LEU A 31 -6.303 -2.352 1.362 1.00 0.00 N ATOM 417 CA LEU A 31 -6.776 -1.250 0.543 1.00 0.00 C ATOM 418 C LEU A 31 -8.112 -1.632 -0.097 1.00 0.00 C ATOM 419 O LEU A 31 -8.455 -2.811 -0.170 1.00 0.00 O ATOM 420 CB LEU A 31 -5.705 -0.837 -0.469 1.00 0.00 C ATOM 421 CG LEU A 31 -4.254 -0.986 -0.009 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.304 -0.225 -0.936 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.095 -0.558 1.451 1.00 0.00 C ATOM 0 H LEU A 31 -5.369 -2.688 1.127 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.958 -0.369 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.841 -1.429 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.874 0.205 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.984 -2.040 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.279 -0.347 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.391 -0.618 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.564 0.834 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.054 -0.674 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.390 0.486 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.728 -1.181 2.084 1.00 0.00 H new ATOM 435 N PRO A 32 -8.850 -0.586 -0.556 1.00 0.00 N ATOM 436 CA PRO A 32 -10.141 -0.800 -1.187 1.00 0.00 C ATOM 437 C PRO A 32 -9.973 -1.349 -2.605 1.00 0.00 C ATOM 438 O PRO A 32 -8.930 -1.161 -3.228 1.00 0.00 O ATOM 439 CB PRO A 32 -10.826 0.556 -1.152 1.00 0.00 C ATOM 440 CG PRO A 32 -9.721 1.576 -0.927 1.00 0.00 C ATOM 441 CD PRO A 32 -8.476 0.824 -0.486 1.00 0.00 C ATOM 0 HA PRO A 32 -10.743 -1.548 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.353 0.751 -2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.566 0.599 -0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.525 2.135 -1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.018 2.300 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.630 1.042 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.181 1.106 0.525 1.00 0.00 H new ATOM 449 N SER A 33 -11.017 -2.016 -3.075 1.00 0.00 N ATOM 450 CA SER A 33 -10.999 -2.593 -4.408 1.00 0.00 C ATOM 451 C SER A 33 -11.856 -1.751 -5.355 1.00 0.00 C ATOM 452 O SER A 33 -11.536 -1.617 -6.535 1.00 0.00 O ATOM 453 CB SER A 33 -11.496 -4.040 -4.389 1.00 0.00 C ATOM 454 OG SER A 33 -12.848 -4.135 -3.949 1.00 0.00 O ATOM 0 H SER A 33 -11.881 -2.170 -2.556 1.00 0.00 H new ATOM 0 HA SER A 33 -9.969 -2.595 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.409 -4.466 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.859 -4.633 -3.733 1.00 0.00 H new ATOM 0 HG SER A 33 -13.128 -5.074 -3.953 1.00 0.00 H new ATOM 460 N ASP A 34 -12.930 -1.205 -4.802 1.00 0.00 N ATOM 461 CA ASP A 34 -13.835 -0.379 -5.583 1.00 0.00 C ATOM 462 C ASP A 34 -13.021 0.571 -6.464 1.00 0.00 C ATOM 463 O ASP A 34 -13.474 0.970 -7.535 1.00 0.00 O ATOM 464 CB ASP A 34 -14.729 0.468 -4.675 1.00 0.00 C ATOM 465 CG ASP A 34 -15.507 1.577 -5.386 1.00 0.00 C ATOM 466 OD1 ASP A 34 -15.944 1.321 -6.529 1.00 0.00 O ATOM 467 OD2 ASP A 34 -15.647 2.656 -4.771 1.00 0.00 O ATOM 0 H ASP A 34 -13.193 -1.319 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.457 -1.039 -6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.439 -0.190 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.110 0.919 -3.899 1.00 0.00 H new ATOM 472 N GLY A 35 -11.834 0.904 -5.980 1.00 0.00 N ATOM 473 CA GLY A 35 -10.952 1.799 -6.710 1.00 0.00 C ATOM 474 C GLY A 35 -10.637 3.050 -5.887 1.00 0.00 C ATOM 475 O GLY A 35 -9.873 3.909 -6.325 1.00 0.00 O ATOM 0 H GLY A 35 -11.462 0.570 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.026 1.280 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.419 2.087 -7.652 1.00 0.00 H new ATOM 479 N GLN A 36 -11.240 3.112 -4.709 1.00 0.00 N ATOM 480 CA GLN A 36 -11.033 4.243 -3.821 1.00 0.00 C ATOM 481 C GLN A 36 -9.541 4.430 -3.539 1.00 0.00 C ATOM 482 O GLN A 36 -8.718 3.626 -3.975 1.00 0.00 O ATOM 483 CB GLN A 36 -11.820 4.071 -2.521 1.00 0.00 C ATOM 484 CG GLN A 36 -13.230 4.649 -2.652 1.00 0.00 C ATOM 485 CD GLN A 36 -14.082 4.301 -1.430 1.00 0.00 C ATOM 486 OE1 GLN A 36 -13.790 4.682 -0.309 1.00 0.00 O ATOM 487 NE2 GLN A 36 -15.149 3.557 -1.708 1.00 0.00 N ATOM 0 H GLN A 36 -11.872 2.397 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.405 5.141 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.879 3.013 -2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.294 4.567 -1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.174 5.732 -2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.704 4.260 -3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.336 3.272 -2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.781 3.272 -0.960 1.00 0.00 H new ATOM 496 N ALA A 37 -9.237 5.494 -2.810 1.00 0.00 N ATOM 497 CA ALA A 37 -7.859 5.796 -2.464 1.00 0.00 C ATOM 498 C ALA A 37 -7.736 5.925 -0.945 1.00 0.00 C ATOM 499 O ALA A 37 -8.461 6.701 -0.323 1.00 0.00 O ATOM 500 CB ALA A 37 -7.415 7.065 -3.195 1.00 0.00 C ATOM 0 H ALA A 37 -9.922 6.158 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.198 4.989 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.381 7.292 -2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.494 6.911 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.054 7.897 -2.900 1.00 0.00 H new ATOM 506 N LEU A 38 -6.812 5.154 -0.390 1.00 0.00 N ATOM 507 CA LEU A 38 -6.585 5.172 1.044 1.00 0.00 C ATOM 508 C LEU A 38 -5.454 6.152 1.365 1.00 0.00 C ATOM 509 O LEU A 38 -4.283 5.851 1.134 1.00 0.00 O ATOM 510 CB LEU A 38 -6.337 3.756 1.566 1.00 0.00 C ATOM 511 CG LEU A 38 -6.717 3.502 3.026 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.120 4.034 3.328 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.578 2.020 3.380 1.00 0.00 C ATOM 0 H LEU A 38 -6.212 4.513 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.474 5.528 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.892 3.057 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.279 3.524 1.441 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.021 4.051 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.365 3.841 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.150 5.107 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.845 3.533 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.854 1.868 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.235 1.430 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.546 1.705 3.228 1.00 0.00 H new ATOM 525 N VAL A 39 -5.842 7.304 1.891 1.00 0.00 N ATOM 526 CA VAL A 39 -4.876 8.329 2.245 1.00 0.00 C ATOM 527 C VAL A 39 -4.125 7.901 3.508 1.00 0.00 C ATOM 528 O VAL A 39 -4.738 7.651 4.544 1.00 0.00 O ATOM 529 CB VAL A 39 -5.577 9.680 2.396 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.894 10.537 3.464 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.638 10.419 1.057 1.00 0.00 C ATOM 0 H VAL A 39 -6.813 7.550 2.081 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.138 8.448 1.452 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.600 9.491 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.413 11.492 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.926 10.018 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.856 10.712 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.141 11.376 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.626 10.590 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.190 9.818 0.335 1.00 0.00 H new ATOM 541 N LEU A 40 -2.808 7.831 3.379 1.00 0.00 N ATOM 542 CA LEU A 40 -1.967 7.438 4.497 1.00 0.00 C ATOM 543 C LEU A 40 -1.288 8.679 5.080 1.00 0.00 C ATOM 544 O LEU A 40 -1.353 9.759 4.494 1.00 0.00 O ATOM 545 CB LEU A 40 -0.986 6.343 4.071 1.00 0.00 C ATOM 546 CG LEU A 40 -1.562 4.929 3.969 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.448 3.894 3.799 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.459 4.615 5.167 1.00 0.00 C ATOM 0 H LEU A 40 -2.303 8.040 2.518 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.571 7.001 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.568 6.614 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.159 6.327 4.781 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.187 4.878 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.885 2.898 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.113 4.109 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.223 3.937 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.855 3.604 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.878 4.690 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.284 5.327 5.200 1.00 0.00 H new ATOM 560 N GLY A 41 -0.652 8.483 6.225 1.00 0.00 N ATOM 561 CA GLY A 41 0.039 9.573 6.894 1.00 0.00 C ATOM 562 C GLY A 41 0.014 9.388 8.412 1.00 0.00 C ATOM 563 O GLY A 41 0.104 8.265 8.906 1.00 0.00 O ATOM 0 H GLY A 41 -0.600 7.586 6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.071 9.621 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.430 10.521 6.632 1.00 0.00 H new ATOM 567 N ARG A 42 -0.107 10.507 9.111 1.00 0.00 N ATOM 568 CA ARG A 42 -0.144 10.483 10.563 1.00 0.00 C ATOM 569 C ARG A 42 -1.470 9.894 11.050 1.00 0.00 C ATOM 570 O ARG A 42 -2.525 10.181 10.487 1.00 0.00 O ATOM 571 CB ARG A 42 0.025 11.889 11.142 1.00 0.00 C ATOM 572 CG ARG A 42 1.371 12.030 11.855 1.00 0.00 C ATOM 573 CD ARG A 42 1.351 13.202 12.838 1.00 0.00 C ATOM 574 NE ARG A 42 0.635 12.814 14.073 1.00 0.00 N ATOM 575 CZ ARG A 42 0.206 13.684 14.998 1.00 0.00 C ATOM 576 NH1 ARG A 42 0.418 14.997 14.832 1.00 0.00 N ATOM 577 NH2 ARG A 42 -0.436 13.242 16.088 1.00 0.00 N ATOM 0 H ARG A 42 -0.181 11.437 8.698 1.00 0.00 H new ATOM 0 HA ARG A 42 0.682 9.860 10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.046 12.626 10.342 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.785 12.098 11.841 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.603 11.108 12.388 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.162 12.181 11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.371 13.503 13.078 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.864 14.063 12.380 1.00 0.00 H new ATOM 0 HE ARG A 42 0.457 11.822 14.231 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.906 15.334 14.002 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.092 15.659 15.536 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.598 12.243 16.214 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.762 13.905 16.792 1.00 0.00 H new ATOM 591 N GLY A 43 -1.372 9.081 12.092 1.00 0.00 N ATOM 592 CA GLY A 43 -2.550 8.450 12.662 1.00 0.00 C ATOM 593 C GLY A 43 -2.284 6.977 12.979 1.00 0.00 C ATOM 594 O GLY A 43 -1.163 6.496 12.817 1.00 0.00 O ATOM 0 H GLY A 43 -0.495 8.845 12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.843 8.974 13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.384 8.531 11.964 1.00 0.00 H new ATOM 598 N PRO A 44 -3.361 6.283 13.436 1.00 0.00 N ATOM 599 CA PRO A 44 -3.254 4.875 13.776 1.00 0.00 C ATOM 600 C PRO A 44 -3.188 4.009 12.517 1.00 0.00 C ATOM 601 O PRO A 44 -3.100 2.785 12.604 1.00 0.00 O ATOM 602 CB PRO A 44 -4.475 4.584 14.633 1.00 0.00 C ATOM 603 CG PRO A 44 -5.457 5.711 14.357 1.00 0.00 C ATOM 604 CD PRO A 44 -4.703 6.819 13.639 1.00 0.00 C ATOM 0 HA PRO A 44 -2.338 4.642 14.318 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.909 3.617 14.379 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.210 4.547 15.690 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.286 5.354 13.745 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.885 6.082 15.289 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.177 7.070 12.690 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.679 7.732 14.234 1.00 0.00 H new ATOM 612 N LEU A 45 -3.232 4.679 11.374 1.00 0.00 N ATOM 613 CA LEU A 45 -3.178 3.986 10.098 1.00 0.00 C ATOM 614 C LEU A 45 -1.857 3.221 9.993 1.00 0.00 C ATOM 615 O LEU A 45 -1.853 1.999 9.858 1.00 0.00 O ATOM 616 CB LEU A 45 -3.415 4.965 8.947 1.00 0.00 C ATOM 617 CG LEU A 45 -4.866 5.395 8.718 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.257 6.530 9.666 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.104 5.763 7.253 1.00 0.00 C ATOM 0 H LEU A 45 -3.304 5.694 11.305 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.979 3.250 10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.817 5.858 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.042 4.512 8.028 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.514 4.548 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.292 6.817 9.483 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.150 6.195 10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.607 7.388 9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.143 6.065 7.118 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.447 6.587 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.892 4.900 6.622 1.00 0.00 H new ATOM 631 N THR A 46 -0.768 3.973 10.059 1.00 0.00 N ATOM 632 CA THR A 46 0.556 3.381 9.974 1.00 0.00 C ATOM 633 C THR A 46 1.323 3.600 11.279 1.00 0.00 C ATOM 634 O THR A 46 2.525 3.345 11.347 1.00 0.00 O ATOM 635 CB THR A 46 1.259 3.971 8.749 1.00 0.00 C ATOM 636 OG1 THR A 46 1.210 5.379 8.965 1.00 0.00 O ATOM 637 CG2 THR A 46 0.462 3.764 7.460 1.00 0.00 C ATOM 0 H THR A 46 -0.776 4.987 10.170 1.00 0.00 H new ATOM 0 HA THR A 46 0.499 2.300 9.845 1.00 0.00 H new ATOM 0 HB THR A 46 2.244 3.517 8.643 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.867 5.822 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.005 4.201 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.323 2.697 7.285 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.511 4.246 7.553 1.00 0.00 H new ATOM 645 N GLN A 47 0.598 4.070 12.283 1.00 0.00 N ATOM 646 CA GLN A 47 1.195 4.326 13.583 1.00 0.00 C ATOM 647 C GLN A 47 2.219 5.459 13.482 1.00 0.00 C ATOM 648 O GLN A 47 3.108 5.574 14.325 1.00 0.00 O ATOM 649 CB GLN A 47 1.835 3.058 14.151 1.00 0.00 C ATOM 650 CG GLN A 47 0.767 2.040 14.558 1.00 0.00 C ATOM 651 CD GLN A 47 0.712 1.883 16.079 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.596 2.306 16.806 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.374 1.254 16.519 1.00 0.00 N ATOM 0 H GLN A 47 -0.398 4.280 12.223 1.00 0.00 H new ATOM 0 HA GLN A 47 0.407 4.635 14.270 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.499 2.617 13.407 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.449 3.312 15.015 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.206 2.360 14.186 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.983 1.076 14.097 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.076 0.925 15.857 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.505 1.101 17.519 1.00 0.00 H new ATOM 662 N VAL A 48 2.060 6.267 12.445 1.00 0.00 N ATOM 663 CA VAL A 48 2.959 7.387 12.223 1.00 0.00 C ATOM 664 C VAL A 48 2.457 8.601 13.008 1.00 0.00 C ATOM 665 O VAL A 48 1.299 8.993 12.878 1.00 0.00 O ATOM 666 CB VAL A 48 3.097 7.659 10.724 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.768 9.011 10.472 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.860 6.530 10.030 1.00 0.00 C ATOM 0 H VAL A 48 1.321 6.169 11.748 1.00 0.00 H new ATOM 0 HA VAL A 48 3.958 7.153 12.590 1.00 0.00 H new ATOM 0 HB VAL A 48 2.095 7.698 10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.854 9.180 9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.167 9.804 10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.761 9.013 10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.944 6.748 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.857 6.445 10.463 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.324 5.591 10.167 1.00 0.00 H new ATOM 678 N THR A 49 3.355 9.162 13.805 1.00 0.00 N ATOM 679 CA THR A 49 3.018 10.324 14.610 1.00 0.00 C ATOM 680 C THR A 49 4.021 11.453 14.364 1.00 0.00 C ATOM 681 O THR A 49 4.110 12.392 15.154 1.00 0.00 O ATOM 682 CB THR A 49 2.948 9.881 16.073 1.00 0.00 C ATOM 683 OG1 THR A 49 4.175 9.186 16.284 1.00 0.00 O ATOM 684 CG2 THR A 49 1.873 8.820 16.313 1.00 0.00 C ATOM 0 H THR A 49 4.315 8.834 13.910 1.00 0.00 H new ATOM 0 HA THR A 49 2.046 10.730 14.331 1.00 0.00 H new ATOM 0 HB THR A 49 2.751 10.747 16.705 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.214 8.865 17.209 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.866 8.541 17.367 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.898 9.221 16.037 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.088 7.940 15.706 1.00 0.00 H new ATOM 692 N ASP A 50 4.750 11.324 13.265 1.00 0.00 N ATOM 693 CA ASP A 50 5.743 12.322 12.905 1.00 0.00 C ATOM 694 C ASP A 50 5.037 13.564 12.359 1.00 0.00 C ATOM 695 O ASP A 50 4.125 13.455 11.542 1.00 0.00 O ATOM 696 CB ASP A 50 6.683 11.796 11.818 1.00 0.00 C ATOM 697 CG ASP A 50 8.054 12.472 11.767 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.350 13.230 12.716 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.777 12.216 10.779 1.00 0.00 O ATOM 0 H ASP A 50 4.673 10.544 12.612 1.00 0.00 H new ATOM 0 HA ASP A 50 6.321 12.560 13.798 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.827 10.726 11.970 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.198 11.918 10.849 1.00 0.00 H new ATOM 704 N ARG A 51 5.486 14.717 12.834 1.00 0.00 N ATOM 705 CA ARG A 51 4.908 15.979 12.404 1.00 0.00 C ATOM 706 C ARG A 51 5.159 16.196 10.910 1.00 0.00 C ATOM 707 O ARG A 51 4.279 16.664 10.190 1.00 0.00 O ATOM 708 CB ARG A 51 5.499 17.152 13.189 1.00 0.00 C ATOM 709 CG ARG A 51 5.112 17.072 14.667 1.00 0.00 C ATOM 710 CD ARG A 51 6.001 17.983 15.516 1.00 0.00 C ATOM 711 NE ARG A 51 5.375 19.317 15.652 1.00 0.00 N ATOM 712 CZ ARG A 51 5.490 20.297 14.745 1.00 0.00 C ATOM 713 NH1 ARG A 51 6.207 20.097 13.630 1.00 0.00 N ATOM 714 NH2 ARG A 51 4.887 21.476 14.952 1.00 0.00 N ATOM 0 H ARG A 51 6.243 14.803 13.512 1.00 0.00 H new ATOM 0 HA ARG A 51 3.836 15.934 12.593 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.585 17.149 13.093 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.145 18.092 12.767 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.068 17.360 14.789 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.202 16.043 15.015 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.153 17.541 16.501 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.984 18.079 15.054 1.00 0.00 H new ATOM 0 HE ARG A 51 4.821 19.502 16.488 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.665 19.199 13.472 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.295 20.843 12.939 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.341 21.627 15.800 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.975 22.222 14.262 1.00 0.00 H new ATOM 728 N LYS A 52 6.365 15.845 10.488 1.00 0.00 N ATOM 729 CA LYS A 52 6.744 15.995 9.094 1.00 0.00 C ATOM 730 C LYS A 52 5.692 15.322 8.209 1.00 0.00 C ATOM 731 O LYS A 52 5.452 15.757 7.084 1.00 0.00 O ATOM 732 CB LYS A 52 8.164 15.476 8.865 1.00 0.00 C ATOM 733 CG LYS A 52 9.203 16.461 9.405 1.00 0.00 C ATOM 734 CD LYS A 52 9.769 17.331 8.281 1.00 0.00 C ATOM 735 CE LYS A 52 11.293 17.423 8.374 1.00 0.00 C ATOM 736 NZ LYS A 52 11.722 18.836 8.478 1.00 0.00 N ATOM 0 H LYS A 52 7.093 15.457 11.088 1.00 0.00 H new ATOM 0 HA LYS A 52 6.767 17.049 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.285 14.510 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.329 15.316 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.748 17.095 10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.012 15.913 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.485 16.914 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.337 18.330 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.645 16.865 9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.745 16.963 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.759 18.880 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.403 19.358 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.306 19.263 9.330 1.00 0.00 H new ATOM 750 N CYS A 53 5.094 14.271 8.751 1.00 0.00 N ATOM 751 CA CYS A 53 4.074 13.534 8.025 1.00 0.00 C ATOM 752 C CYS A 53 2.815 14.400 7.954 1.00 0.00 C ATOM 753 O CYS A 53 2.768 15.482 8.535 1.00 0.00 O ATOM 754 CB CYS A 53 3.796 12.173 8.667 1.00 0.00 C ATOM 755 SG CYS A 53 4.051 10.839 7.441 1.00 0.00 S ATOM 0 H CYS A 53 5.296 13.913 9.684 1.00 0.00 H new ATOM 0 HA CYS A 53 4.424 13.321 7.015 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.456 12.023 9.522 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.774 12.141 9.044 1.00 0.00 H new ATOM 0 HG CYS A 53 3.401 11.121 6.351 1.00 0.00 H new ATOM 761 N SER A 54 1.825 13.890 7.235 1.00 0.00 N ATOM 762 CA SER A 54 0.569 14.603 7.080 1.00 0.00 C ATOM 763 C SER A 54 -0.568 13.611 6.825 1.00 0.00 C ATOM 764 O SER A 54 -0.438 12.712 5.996 1.00 0.00 O ATOM 765 CB SER A 54 0.650 15.621 5.941 1.00 0.00 C ATOM 766 OG SER A 54 0.036 16.859 6.287 1.00 0.00 O ATOM 0 H SER A 54 1.868 12.992 6.754 1.00 0.00 H new ATOM 0 HA SER A 54 0.369 15.147 8.003 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.695 15.794 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.166 15.212 5.054 1.00 0.00 H new ATOM 0 HG SER A 54 0.110 17.483 5.535 1.00 0.00 H new ATOM 772 N ARG A 55 -1.657 13.808 7.554 1.00 0.00 N ATOM 773 CA ARG A 55 -2.816 12.942 7.417 1.00 0.00 C ATOM 774 C ARG A 55 -3.030 12.570 5.948 1.00 0.00 C ATOM 775 O ARG A 55 -3.459 11.459 5.642 1.00 0.00 O ATOM 776 CB ARG A 55 -4.077 13.621 7.953 1.00 0.00 C ATOM 777 CG ARG A 55 -4.502 13.011 9.290 1.00 0.00 C ATOM 778 CD ARG A 55 -6.027 12.968 9.414 1.00 0.00 C ATOM 779 NE ARG A 55 -6.449 11.692 10.034 1.00 0.00 N ATOM 780 CZ ARG A 55 -6.486 11.476 11.356 1.00 0.00 C ATOM 781 NH1 ARG A 55 -6.127 12.449 12.205 1.00 0.00 N ATOM 782 NH2 ARG A 55 -6.882 10.287 11.830 1.00 0.00 N ATOM 0 H ARG A 55 -1.761 14.555 8.241 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.627 12.040 8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.895 14.688 8.078 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.885 13.518 7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.098 12.003 9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.083 13.595 10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.375 13.807 10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.483 13.072 8.430 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.729 10.930 9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.825 13.354 11.845 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.155 12.284 13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.155 9.546 11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.910 10.123 12.836 1.00 0.00 H new ATOM 796 N ASN A 56 -2.721 13.521 5.079 1.00 0.00 N ATOM 797 CA ASN A 56 -2.874 13.308 3.650 1.00 0.00 C ATOM 798 C ASN A 56 -1.511 13.441 2.969 1.00 0.00 C ATOM 799 O ASN A 56 -1.355 14.222 2.032 1.00 0.00 O ATOM 800 CB ASN A 56 -3.813 14.347 3.035 1.00 0.00 C ATOM 801 CG ASN A 56 -5.276 13.932 3.202 1.00 0.00 C ATOM 802 OD1 ASN A 56 -5.954 13.558 2.259 1.00 0.00 O ATOM 803 ND2 ASN A 56 -5.724 14.018 4.452 1.00 0.00 N ATOM 0 H ASN A 56 -2.365 14.441 5.337 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.291 12.312 3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.650 15.315 3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.584 14.467 1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.688 13.763 4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.103 14.339 5.195 1.00 0.00 H new ATOM 810 N GLN A 57 -0.558 12.667 3.468 1.00 0.00 N ATOM 811 CA GLN A 57 0.788 12.690 2.920 1.00 0.00 C ATOM 812 C GLN A 57 0.780 12.191 1.473 1.00 0.00 C ATOM 813 O GLN A 57 1.303 12.856 0.581 1.00 0.00 O ATOM 814 CB GLN A 57 1.744 11.861 3.780 1.00 0.00 C ATOM 815 CG GLN A 57 3.114 11.734 3.110 1.00 0.00 C ATOM 816 CD GLN A 57 3.844 13.078 3.096 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.533 13.991 3.844 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.830 13.149 2.206 1.00 0.00 N ATOM 0 H GLN A 57 -0.691 12.020 4.245 1.00 0.00 H new ATOM 0 HA GLN A 57 1.145 13.720 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.856 12.327 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.323 10.869 3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.715 10.995 3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.991 11.372 2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.038 12.348 1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.378 14.005 2.119 1.00 0.00 H new ATOM 827 N VAL A 58 0.181 11.024 1.287 1.00 0.00 N ATOM 828 CA VAL A 58 0.098 10.429 -0.036 1.00 0.00 C ATOM 829 C VAL A 58 -1.269 9.761 -0.206 1.00 0.00 C ATOM 830 O VAL A 58 -2.014 9.610 0.761 1.00 0.00 O ATOM 831 CB VAL A 58 1.265 9.463 -0.250 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.568 10.226 -0.500 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.409 8.506 0.935 1.00 0.00 C ATOM 0 H VAL A 58 -0.251 10.475 2.030 1.00 0.00 H new ATOM 0 HA VAL A 58 0.183 11.197 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 58 1.049 8.867 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.382 9.517 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.461 10.848 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.790 10.858 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.246 7.830 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.592 9.078 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.493 7.927 1.048 1.00 0.00 H new ATOM 843 N GLU A 59 -1.556 9.380 -1.442 1.00 0.00 N ATOM 844 CA GLU A 59 -2.820 8.732 -1.750 1.00 0.00 C ATOM 845 C GLU A 59 -2.573 7.364 -2.388 1.00 0.00 C ATOM 846 O GLU A 59 -2.101 7.279 -3.521 1.00 0.00 O ATOM 847 CB GLU A 59 -3.680 9.613 -2.658 1.00 0.00 C ATOM 848 CG GLU A 59 -5.100 9.056 -2.777 1.00 0.00 C ATOM 849 CD GLU A 59 -6.141 10.162 -2.593 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.469 10.442 -1.420 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.585 10.702 -3.629 1.00 0.00 O ATOM 0 H GLU A 59 -0.936 9.507 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.367 8.584 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.715 10.627 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.226 9.675 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.230 8.588 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.254 8.279 -2.028 1.00 0.00 H new ATOM 858 N LEU A 60 -2.903 6.326 -1.633 1.00 0.00 N ATOM 859 CA LEU A 60 -2.723 4.966 -2.111 1.00 0.00 C ATOM 860 C LEU A 60 -4.018 4.484 -2.766 1.00 0.00 C ATOM 861 O LEU A 60 -5.111 4.812 -2.305 1.00 0.00 O ATOM 862 CB LEU A 60 -2.233 4.061 -0.978 1.00 0.00 C ATOM 863 CG LEU A 60 -0.725 4.072 -0.715 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.399 4.833 0.571 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.162 2.649 -0.698 1.00 0.00 C ATOM 0 H LEU A 60 -3.294 6.400 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.947 4.931 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.744 4.352 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.536 3.038 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.238 4.601 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.679 4.826 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.746 5.863 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.897 4.354 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.911 2.684 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.650 2.074 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.345 2.174 -1.662 1.00 0.00 H new ATOM 877 N ILE A 61 -3.854 3.713 -3.831 1.00 0.00 N ATOM 878 CA ILE A 61 -4.998 3.183 -4.555 1.00 0.00 C ATOM 879 C ILE A 61 -4.707 1.741 -4.973 1.00 0.00 C ATOM 880 O ILE A 61 -3.762 1.485 -5.718 1.00 0.00 O ATOM 881 CB ILE A 61 -5.364 4.100 -5.723 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.844 5.464 -5.221 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.391 3.434 -6.642 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.944 6.468 -6.371 1.00 0.00 C ATOM 0 H ILE A 61 -2.947 3.442 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.878 3.158 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.465 4.273 -6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.817 5.357 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.155 5.840 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.634 4.107 -7.464 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.976 2.509 -7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.295 3.211 -6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.287 7.429 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.964 6.591 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.652 6.101 -7.114 1.00 0.00 H new ATOM 896 N ALA A 62 -5.537 0.835 -4.475 1.00 0.00 N ATOM 897 CA ALA A 62 -5.380 -0.575 -4.788 1.00 0.00 C ATOM 898 C ALA A 62 -5.847 -0.830 -6.222 1.00 0.00 C ATOM 899 O ALA A 62 -6.991 -0.538 -6.567 1.00 0.00 O ATOM 900 CB ALA A 62 -6.152 -1.413 -3.766 1.00 0.00 C ATOM 0 H ALA A 62 -6.320 1.050 -3.857 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.332 -0.868 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.035 -2.471 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.763 -1.217 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.209 -1.148 -3.802 1.00 0.00 H new ATOM 906 N ASP A 63 -4.938 -1.371 -7.019 1.00 0.00 N ATOM 907 CA ASP A 63 -5.242 -1.668 -8.409 1.00 0.00 C ATOM 908 C ASP A 63 -5.086 -3.171 -8.650 1.00 0.00 C ATOM 909 O ASP A 63 -4.012 -3.634 -9.032 1.00 0.00 O ATOM 910 CB ASP A 63 -4.285 -0.936 -9.351 1.00 0.00 C ATOM 911 CG ASP A 63 -4.896 -0.503 -10.685 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.890 0.254 -10.636 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.356 -0.940 -11.725 1.00 0.00 O ATOM 0 H ASP A 63 -3.990 -1.612 -6.729 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.263 -1.342 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.901 -0.053 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.432 -1.583 -9.553 1.00 0.00 H new ATOM 918 N PRO A 64 -6.202 -3.910 -8.412 1.00 0.00 N ATOM 919 CA PRO A 64 -6.200 -5.351 -8.599 1.00 0.00 C ATOM 920 C PRO A 64 -6.237 -5.711 -10.086 1.00 0.00 C ATOM 921 O PRO A 64 -6.260 -6.887 -10.444 1.00 0.00 O ATOM 922 CB PRO A 64 -7.417 -5.849 -7.837 1.00 0.00 C ATOM 923 CG PRO A 64 -8.312 -4.636 -7.642 1.00 0.00 C ATOM 924 CD PRO A 64 -7.492 -3.396 -7.959 1.00 0.00 C ATOM 0 HA PRO A 64 -5.292 -5.822 -8.224 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.934 -6.630 -8.394 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.128 -6.279 -6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.183 -4.695 -8.295 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.684 -4.596 -6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.970 -2.792 -8.730 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.379 -2.761 -7.080 1.00 0.00 H new ATOM 932 N GLU A 65 -6.242 -4.675 -10.913 1.00 0.00 N ATOM 933 CA GLU A 65 -6.276 -4.867 -12.352 1.00 0.00 C ATOM 934 C GLU A 65 -4.953 -5.460 -12.840 1.00 0.00 C ATOM 935 O GLU A 65 -4.941 -6.320 -13.720 1.00 0.00 O ATOM 936 CB GLU A 65 -6.588 -3.554 -13.073 1.00 0.00 C ATOM 937 CG GLU A 65 -8.049 -3.510 -13.525 1.00 0.00 C ATOM 938 CD GLU A 65 -8.350 -2.213 -14.280 1.00 0.00 C ATOM 939 OE1 GLU A 65 -7.458 -1.779 -15.040 1.00 0.00 O ATOM 940 OE2 GLU A 65 -9.466 -1.686 -14.080 1.00 0.00 O ATOM 0 H GLU A 65 -6.223 -3.700 -10.613 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.075 -5.571 -12.586 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.383 -2.713 -12.410 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.933 -3.445 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.261 -4.366 -14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.704 -3.591 -12.658 1.00 0.00 H new ATOM 947 N SER A 66 -3.871 -4.976 -12.249 1.00 0.00 N ATOM 948 CA SER A 66 -2.545 -5.447 -12.612 1.00 0.00 C ATOM 949 C SER A 66 -1.669 -5.560 -11.363 1.00 0.00 C ATOM 950 O SER A 66 -0.446 -5.464 -11.448 1.00 0.00 O ATOM 951 CB SER A 66 -1.892 -4.518 -13.637 1.00 0.00 C ATOM 952 OG SER A 66 -2.490 -4.637 -14.924 1.00 0.00 O ATOM 0 H SER A 66 -3.885 -4.262 -11.521 1.00 0.00 H new ATOM 0 HA SER A 66 -2.645 -6.432 -13.067 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.973 -3.486 -13.294 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.829 -4.748 -13.709 1.00 0.00 H new ATOM 0 HG SER A 66 -2.046 -4.026 -15.549 1.00 0.00 H new ATOM 958 N ARG A 67 -2.329 -5.762 -10.232 1.00 0.00 N ATOM 959 CA ARG A 67 -1.626 -5.889 -8.967 1.00 0.00 C ATOM 960 C ARG A 67 -0.679 -4.704 -8.765 1.00 0.00 C ATOM 961 O ARG A 67 0.480 -4.887 -8.395 1.00 0.00 O ATOM 962 CB ARG A 67 -0.823 -7.190 -8.911 1.00 0.00 C ATOM 963 CG ARG A 67 -1.750 -8.406 -8.873 1.00 0.00 C ATOM 964 CD ARG A 67 -1.794 -9.106 -10.232 1.00 0.00 C ATOM 965 NE ARG A 67 -0.986 -10.345 -10.190 1.00 0.00 N ATOM 966 CZ ARG A 67 -0.795 -11.154 -11.241 1.00 0.00 C ATOM 967 NH1 ARG A 67 -1.353 -10.860 -12.423 1.00 0.00 N ATOM 968 NH2 ARG A 67 -0.046 -12.258 -11.110 1.00 0.00 N ATOM 0 H ARG A 67 -3.344 -5.841 -10.166 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.372 -5.902 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.168 -7.255 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.183 -7.189 -8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.407 -9.106 -8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.755 -8.093 -8.589 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.825 -9.343 -10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.413 -8.440 -11.006 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.547 -10.599 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.923 -10.020 -12.523 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.207 -11.476 -13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.379 -12.482 -10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.099 -12.874 -11.910 1.00 0.00 H new ATOM 982 N THR A 68 -1.207 -3.516 -9.018 1.00 0.00 N ATOM 983 CA THR A 68 -0.424 -2.301 -8.869 1.00 0.00 C ATOM 984 C THR A 68 -1.077 -1.367 -7.848 1.00 0.00 C ATOM 985 O THR A 68 -2.158 -1.658 -7.338 1.00 0.00 O ATOM 986 CB THR A 68 -0.262 -1.670 -10.253 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.509 -1.917 -10.895 1.00 0.00 O ATOM 988 CG2 THR A 68 0.757 -2.413 -11.120 1.00 0.00 C ATOM 0 H THR A 68 -2.168 -3.369 -9.325 1.00 0.00 H new ATOM 0 HA THR A 68 0.570 -2.517 -8.476 1.00 0.00 H new ATOM 0 HB THR A 68 0.045 -0.630 -10.144 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.492 -1.539 -11.799 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.834 -1.924 -12.091 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.730 -2.400 -10.629 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.434 -3.445 -11.258 1.00 0.00 H new ATOM 996 N VAL A 69 -0.393 -0.265 -7.580 1.00 0.00 N ATOM 997 CA VAL A 69 -0.893 0.713 -6.629 1.00 0.00 C ATOM 998 C VAL A 69 -0.277 2.079 -6.937 1.00 0.00 C ATOM 999 O VAL A 69 0.944 2.209 -7.022 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.617 0.242 -5.199 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.025 1.310 -4.182 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.322 -1.085 -4.914 1.00 0.00 C ATOM 0 H VAL A 69 0.503 -0.027 -8.005 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.974 0.816 -6.720 1.00 0.00 H new ATOM 0 HB VAL A 69 0.456 0.079 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.819 0.950 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.457 2.222 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.090 1.519 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.110 -1.398 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.398 -0.960 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.962 -1.845 -5.608 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.149 3.064 -7.097 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.705 4.415 -7.395 1.00 0.00 C ATOM 1014 C ALA A 70 -0.476 5.172 -6.085 1.00 0.00 C ATOM 1015 O ALA A 70 -1.199 4.967 -5.111 1.00 0.00 O ATOM 1016 CB ALA A 70 -1.734 5.104 -8.294 1.00 0.00 C ATOM 0 H ALA A 70 -2.160 2.953 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 70 0.241 4.398 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.401 6.118 -8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.839 4.543 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.696 5.143 -7.783 1.00 0.00 H new ATOM 1022 N VAL A 71 0.532 6.031 -6.103 1.00 0.00 N ATOM 1023 CA VAL A 71 0.866 6.819 -4.929 1.00 0.00 C ATOM 1024 C VAL A 71 1.000 8.290 -5.329 1.00 0.00 C ATOM 1025 O VAL A 71 1.936 8.662 -6.035 1.00 0.00 O ATOM 1026 CB VAL A 71 2.127 6.262 -4.266 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.525 7.104 -3.051 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.940 4.794 -3.878 1.00 0.00 C ATOM 0 H VAL A 71 1.129 6.199 -6.913 1.00 0.00 H new ATOM 0 HA VAL A 71 0.070 6.755 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 71 2.939 6.316 -4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.424 6.687 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.720 8.129 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.715 7.097 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.851 4.423 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.109 4.706 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.726 4.206 -4.771 1.00 0.00 H new ATOM 1038 N LYS A 72 0.052 9.087 -4.859 1.00 0.00 N ATOM 1039 CA LYS A 72 0.052 10.509 -5.159 1.00 0.00 C ATOM 1040 C LYS A 72 0.363 11.294 -3.883 1.00 0.00 C ATOM 1041 O LYS A 72 -0.355 11.181 -2.891 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.262 10.916 -5.828 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.340 12.434 -6.005 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.781 12.884 -6.251 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.223 12.552 -7.678 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.172 13.760 -8.531 1.00 0.00 N ATOM 0 H LYS A 72 -0.722 8.775 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 72 0.835 10.747 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.346 10.428 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.103 10.573 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.948 12.928 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.712 12.739 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.445 12.396 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.865 13.957 -6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.578 11.778 -8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.236 12.150 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.475 13.517 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.806 14.487 -8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.199 14.127 -8.556 1.00 0.00 H new ATOM 1060 N GLN A 73 1.433 12.073 -3.951 1.00 0.00 N ATOM 1061 CA GLN A 73 1.847 12.877 -2.814 1.00 0.00 C ATOM 1062 C GLN A 73 0.950 14.109 -2.681 1.00 0.00 C ATOM 1063 O GLN A 73 0.860 14.918 -3.603 1.00 0.00 O ATOM 1064 CB GLN A 73 3.318 13.279 -2.934 1.00 0.00 C ATOM 1065 CG GLN A 73 3.664 14.393 -1.943 1.00 0.00 C ATOM 1066 CD GLN A 73 5.177 14.501 -1.747 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.881 13.517 -1.587 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.638 15.749 -1.769 1.00 0.00 N ATOM 0 H GLN A 73 2.026 12.164 -4.776 1.00 0.00 H new ATOM 0 HA GLN A 73 1.742 12.276 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.952 12.412 -2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.526 13.614 -3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.272 15.343 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.183 14.195 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.994 16.528 -1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.635 15.927 -1.648 1.00 0.00 H new ATOM 1077 N LEU A 74 0.309 14.213 -1.526 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.578 15.333 -1.260 1.00 0.00 C ATOM 1079 C LEU A 74 -0.044 16.128 -0.067 1.00 0.00 C ATOM 1080 O LEU A 74 -0.622 17.145 0.314 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.017 14.846 -1.081 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.365 13.519 -1.757 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.378 12.729 -0.925 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -2.852 13.744 -3.190 1.00 0.00 C ATOM 0 H LEU A 74 0.386 13.540 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.600 16.013 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.217 14.751 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.690 15.613 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.458 12.918 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.608 11.790 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.957 12.520 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.291 13.314 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.093 12.784 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.742 14.373 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.069 14.235 -3.768 1.00 0.00 H new ATOM 1096 N GLY A 75 1.052 15.634 0.490 1.00 0.00 N ATOM 1097 CA GLY A 75 1.670 16.286 1.632 1.00 0.00 C ATOM 1098 C GLY A 75 2.665 17.357 1.180 1.00 0.00 C ATOM 1099 O GLY A 75 2.388 18.115 0.252 1.00 0.00 O ATOM 0 H GLY A 75 1.528 14.790 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.900 16.740 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.182 15.545 2.245 1.00 0.00 H new ATOM 1103 N VAL A 76 3.803 17.386 1.858 1.00 0.00 N ATOM 1104 CA VAL A 76 4.840 18.351 1.538 1.00 0.00 C ATOM 1105 C VAL A 76 6.159 17.615 1.294 1.00 0.00 C ATOM 1106 O VAL A 76 6.791 17.794 0.254 1.00 0.00 O ATOM 1107 CB VAL A 76 4.938 19.401 2.647 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.768 18.759 4.026 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.259 20.169 2.560 1.00 0.00 C ATOM 0 H VAL A 76 4.029 16.756 2.628 1.00 0.00 H new ATOM 0 HA VAL A 76 4.593 18.887 0.622 1.00 0.00 H new ATOM 0 HB VAL A 76 4.126 20.114 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.842 19.527 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.792 18.278 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.549 18.015 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.303 20.909 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.092 19.473 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.324 20.673 1.596 1.00 0.00 H new ATOM 1119 N ASN A 77 6.535 16.801 2.270 1.00 0.00 N ATOM 1120 CA ASN A 77 7.766 16.036 2.173 1.00 0.00 C ATOM 1121 C ASN A 77 7.662 15.054 1.005 1.00 0.00 C ATOM 1122 O ASN A 77 6.615 14.443 0.795 1.00 0.00 O ATOM 1123 CB ASN A 77 8.015 15.229 3.449 1.00 0.00 C ATOM 1124 CG ASN A 77 8.400 16.146 4.612 1.00 0.00 C ATOM 1125 OD1 ASN A 77 9.481 16.709 4.661 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.457 16.263 5.543 1.00 0.00 N ATOM 0 H ASN A 77 6.009 16.655 3.131 1.00 0.00 H new ATOM 0 HA ASN A 77 8.587 16.737 2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.119 14.665 3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.809 14.503 3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.617 16.852 6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.574 15.764 5.440 1.00 0.00 H new ATOM 1133 N PRO A 78 8.790 14.929 0.256 1.00 0.00 N ATOM 1134 CA PRO A 78 8.836 14.032 -0.885 1.00 0.00 C ATOM 1135 C PRO A 78 8.933 12.573 -0.433 1.00 0.00 C ATOM 1136 O PRO A 78 9.834 12.214 0.324 1.00 0.00 O ATOM 1137 CB PRO A 78 10.040 14.485 -1.694 1.00 0.00 C ATOM 1138 CG PRO A 78 10.892 15.311 -0.746 1.00 0.00 C ATOM 1139 CD PRO A 78 10.048 15.637 0.476 1.00 0.00 C ATOM 0 HA PRO A 78 7.929 14.073 -1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.598 13.630 -2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.731 15.075 -2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.786 14.758 -0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.227 16.226 -1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.534 15.305 1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.887 16.711 0.571 1.00 0.00 H new ATOM 1147 N SER A 79 7.994 11.773 -0.915 1.00 0.00 N ATOM 1148 CA SER A 79 7.963 10.362 -0.569 1.00 0.00 C ATOM 1149 C SER A 79 8.834 9.566 -1.543 1.00 0.00 C ATOM 1150 O SER A 79 9.120 10.028 -2.646 1.00 0.00 O ATOM 1151 CB SER A 79 6.531 9.825 -0.577 1.00 0.00 C ATOM 1152 OG SER A 79 5.966 9.791 0.731 1.00 0.00 O ATOM 0 H SER A 79 7.249 12.075 -1.542 1.00 0.00 H new ATOM 0 HA SER A 79 8.359 10.248 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.913 10.449 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.523 8.821 -1.002 1.00 0.00 H new ATOM 0 HG SER A 79 6.508 9.212 1.307 1.00 0.00 H new ATOM 1158 N THR A 80 9.232 8.383 -1.099 1.00 0.00 N ATOM 1159 CA THR A 80 10.065 7.518 -1.917 1.00 0.00 C ATOM 1160 C THR A 80 9.322 6.222 -2.250 1.00 0.00 C ATOM 1161 O THR A 80 9.145 5.364 -1.387 1.00 0.00 O ATOM 1162 CB THR A 80 11.382 7.289 -1.174 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.917 8.599 -1.005 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.423 6.570 -2.035 1.00 0.00 C ATOM 0 H THR A 80 8.993 8.003 -0.183 1.00 0.00 H new ATOM 0 HA THR A 80 10.293 7.981 -2.877 1.00 0.00 H new ATOM 0 HB THR A 80 11.193 6.708 -0.272 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.772 8.544 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.339 6.433 -1.460 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.035 5.597 -2.338 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.637 7.167 -2.921 1.00 0.00 H new ATOM 1172 N VAL A 81 8.908 6.121 -3.505 1.00 0.00 N ATOM 1173 CA VAL A 81 8.189 4.944 -3.963 1.00 0.00 C ATOM 1174 C VAL A 81 9.188 3.921 -4.506 1.00 0.00 C ATOM 1175 O VAL A 81 9.445 3.876 -5.709 1.00 0.00 O ATOM 1176 CB VAL A 81 7.127 5.346 -4.988 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.562 4.117 -5.703 1.00 0.00 C ATOM 1178 CG2 VAL A 81 6.011 6.160 -4.331 1.00 0.00 C ATOM 0 H VAL A 81 9.057 6.835 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 81 7.660 4.473 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 81 7.606 5.978 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.809 4.431 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.367 3.595 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.107 3.448 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.269 6.433 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.536 5.564 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.431 7.064 -3.891 1.00 0.00 H new ATOM 1188 N GLY A 82 9.724 3.123 -3.595 1.00 0.00 N ATOM 1189 CA GLY A 82 10.689 2.102 -3.968 1.00 0.00 C ATOM 1190 C GLY A 82 12.120 2.624 -3.828 1.00 0.00 C ATOM 1191 O GLY A 82 12.690 2.601 -2.738 1.00 0.00 O ATOM 0 H GLY A 82 9.509 3.162 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.555 1.223 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.512 1.787 -4.996 1.00 0.00 H new ATOM 1195 N VAL A 83 12.661 3.083 -4.947 1.00 0.00 N ATOM 1196 CA VAL A 83 14.015 3.610 -4.963 1.00 0.00 C ATOM 1197 C VAL A 83 14.031 4.942 -5.715 1.00 0.00 C ATOM 1198 O VAL A 83 15.086 5.401 -6.150 1.00 0.00 O ATOM 1199 CB VAL A 83 14.972 2.575 -5.560 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.709 2.383 -7.055 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.429 2.965 -5.305 1.00 0.00 C ATOM 0 H VAL A 83 12.186 3.101 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 83 14.360 3.806 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 83 14.788 1.623 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.402 1.643 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.686 2.039 -7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.852 3.331 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.088 2.213 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.632 3.933 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.607 3.027 -4.231 1.00 0.00 H new ATOM 1211 N GLN A 84 12.848 5.525 -5.845 1.00 0.00 N ATOM 1212 CA GLN A 84 12.712 6.796 -6.537 1.00 0.00 C ATOM 1213 C GLN A 84 12.020 7.820 -5.636 1.00 0.00 C ATOM 1214 O GLN A 84 11.063 7.491 -4.937 1.00 0.00 O ATOM 1215 CB GLN A 84 11.954 6.624 -7.855 1.00 0.00 C ATOM 1216 CG GLN A 84 11.511 7.978 -8.413 1.00 0.00 C ATOM 1217 CD GLN A 84 11.326 7.912 -9.931 1.00 0.00 C ATOM 1218 OE1 GLN A 84 12.275 7.873 -10.697 1.00 0.00 O ATOM 1219 NE2 GLN A 84 10.054 7.900 -10.320 1.00 0.00 N ATOM 0 H GLN A 84 11.975 5.141 -5.483 1.00 0.00 H new ATOM 0 HA GLN A 84 13.709 7.166 -6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.590 6.118 -8.581 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.082 5.989 -7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.576 8.281 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.253 8.737 -8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.308 7.935 -9.625 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.825 7.856 -11.313 1.00 0.00 H new ATOM 1228 N GLU A 85 12.532 9.041 -5.681 1.00 0.00 N ATOM 1229 CA GLU A 85 11.975 10.116 -4.876 1.00 0.00 C ATOM 1230 C GLU A 85 10.799 10.769 -5.605 1.00 0.00 C ATOM 1231 O GLU A 85 10.875 11.030 -6.805 1.00 0.00 O ATOM 1232 CB GLU A 85 13.046 11.150 -4.526 1.00 0.00 C ATOM 1233 CG GLU A 85 12.418 12.404 -3.914 1.00 0.00 C ATOM 1234 CD GLU A 85 13.464 13.504 -3.723 1.00 0.00 C ATOM 1235 OE1 GLU A 85 13.981 13.981 -4.757 1.00 0.00 O ATOM 1236 OE2 GLU A 85 13.723 13.844 -2.549 1.00 0.00 O ATOM 0 H GLU A 85 13.326 9.310 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 85 11.608 9.692 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.759 10.717 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.604 11.419 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.618 12.766 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.966 12.157 -2.954 1.00 0.00 H new ATOM 1243 N LEU A 86 9.739 11.015 -4.849 1.00 0.00 N ATOM 1244 CA LEU A 86 8.548 11.634 -5.408 1.00 0.00 C ATOM 1245 C LEU A 86 8.603 13.144 -5.170 1.00 0.00 C ATOM 1246 O LEU A 86 9.618 13.667 -4.710 1.00 0.00 O ATOM 1247 CB LEU A 86 7.288 10.969 -4.852 1.00 0.00 C ATOM 1248 CG LEU A 86 6.903 9.628 -5.482 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.472 9.237 -5.107 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.113 9.654 -6.997 1.00 0.00 C ATOM 0 H LEU A 86 9.680 10.797 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 86 8.511 11.483 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.423 10.819 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.453 11.659 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 86 7.562 8.859 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.224 8.281 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.391 9.150 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.781 10.001 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.832 8.689 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.495 10.437 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.162 9.854 -7.216 1.00 0.00 H new ATOM 1262 N LYS A 87 7.500 13.802 -5.492 1.00 0.00 N ATOM 1263 CA LYS A 87 7.409 15.242 -5.318 1.00 0.00 C ATOM 1264 C LYS A 87 5.981 15.614 -4.915 1.00 0.00 C ATOM 1265 O LYS A 87 5.090 14.766 -4.919 1.00 0.00 O ATOM 1266 CB LYS A 87 7.903 15.965 -6.573 1.00 0.00 C ATOM 1267 CG LYS A 87 9.264 16.620 -6.329 1.00 0.00 C ATOM 1268 CD LYS A 87 9.952 16.963 -7.651 1.00 0.00 C ATOM 1269 CE LYS A 87 9.688 18.418 -8.046 1.00 0.00 C ATOM 1270 NZ LYS A 87 10.920 19.042 -8.579 1.00 0.00 N ATOM 0 H LYS A 87 6.661 13.365 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 87 8.063 15.571 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.979 15.257 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.178 16.723 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.135 17.526 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.897 15.948 -5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.025 16.796 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.591 16.298 -8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.898 18.460 -8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.335 18.978 -7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.723 20.029 -8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.663 19.019 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.240 18.517 -9.418 1.00 0.00 H new ATOM 1284 N PRO A 88 5.803 16.917 -4.569 1.00 0.00 N ATOM 1285 CA PRO A 88 4.498 17.412 -4.165 1.00 0.00 C ATOM 1286 C PRO A 88 3.573 17.571 -5.373 1.00 0.00 C ATOM 1287 O PRO A 88 3.819 18.406 -6.242 1.00 0.00 O ATOM 1288 CB PRO A 88 4.778 18.727 -3.455 1.00 0.00 C ATOM 1289 CG PRO A 88 6.172 19.148 -3.892 1.00 0.00 C ATOM 1290 CD PRO A 88 6.835 17.950 -4.553 1.00 0.00 C ATOM 0 HA PRO A 88 3.973 16.722 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.039 19.482 -3.725 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.728 18.605 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.117 19.986 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.756 19.483 -3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.171 18.190 -5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.712 17.625 -3.994 1.00 0.00 H new ATOM 1298 N GLY A 89 2.528 16.756 -5.390 1.00 0.00 N ATOM 1299 CA GLY A 89 1.566 16.796 -6.477 1.00 0.00 C ATOM 1300 C GLY A 89 1.907 15.760 -7.550 1.00 0.00 C ATOM 1301 O GLY A 89 1.244 15.689 -8.583 1.00 0.00 O ATOM 0 H GLY A 89 2.327 16.064 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.565 16.607 -6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.553 17.792 -6.919 1.00 0.00 H new ATOM 1305 N LEU A 90 2.942 14.982 -7.268 1.00 0.00 N ATOM 1306 CA LEU A 90 3.380 13.953 -8.195 1.00 0.00 C ATOM 1307 C LEU A 90 2.562 12.681 -7.963 1.00 0.00 C ATOM 1308 O LEU A 90 1.707 12.642 -7.079 1.00 0.00 O ATOM 1309 CB LEU A 90 4.891 13.740 -8.086 1.00 0.00 C ATOM 1310 CG LEU A 90 5.608 13.344 -9.378 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.072 14.140 -10.569 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.124 13.486 -9.229 1.00 0.00 C ATOM 0 H LEU A 90 3.490 15.044 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 90 3.199 14.266 -9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.341 14.659 -7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.076 12.967 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 90 5.401 12.292 -9.575 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.599 13.839 -11.475 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.006 13.945 -10.687 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.229 15.205 -10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.610 13.198 -10.161 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.371 14.522 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.473 12.839 -8.424 1.00 0.00 H new ATOM 1324 N SER A 91 2.852 11.673 -8.772 1.00 0.00 N ATOM 1325 CA SER A 91 2.154 10.403 -8.665 1.00 0.00 C ATOM 1326 C SER A 91 2.977 9.296 -9.327 1.00 0.00 C ATOM 1327 O SER A 91 3.470 9.465 -10.441 1.00 0.00 O ATOM 1328 CB SER A 91 0.765 10.483 -9.301 1.00 0.00 C ATOM 1329 OG SER A 91 0.465 11.797 -9.765 1.00 0.00 O ATOM 0 H SER A 91 3.561 11.710 -9.504 1.00 0.00 H new ATOM 0 HA SER A 91 2.028 10.170 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.707 9.782 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.015 10.176 -8.573 1.00 0.00 H new ATOM 0 HG SER A 91 -0.429 11.806 -10.166 1.00 0.00 H new ATOM 1335 N GLY A 92 3.101 8.187 -8.612 1.00 0.00 N ATOM 1336 CA GLY A 92 3.856 7.052 -9.116 1.00 0.00 C ATOM 1337 C GLY A 92 3.075 5.750 -8.935 1.00 0.00 C ATOM 1338 O GLY A 92 1.888 5.773 -8.613 1.00 0.00 O ATOM 0 H GLY A 92 2.691 8.050 -7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.082 7.201 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.810 6.984 -8.593 1.00 0.00 H new ATOM 1342 N SER A 93 3.772 4.644 -9.150 1.00 0.00 N ATOM 1343 CA SER A 93 3.158 3.334 -9.015 1.00 0.00 C ATOM 1344 C SER A 93 4.003 2.452 -8.093 1.00 0.00 C ATOM 1345 O SER A 93 5.220 2.613 -8.019 1.00 0.00 O ATOM 1346 CB SER A 93 2.986 2.663 -10.379 1.00 0.00 C ATOM 1347 OG SER A 93 4.219 2.567 -11.086 1.00 0.00 O ATOM 0 H SER A 93 4.756 4.628 -9.417 1.00 0.00 H new ATOM 0 HA SER A 93 2.169 3.464 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.568 1.666 -10.242 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.270 3.230 -10.974 1.00 0.00 H new ATOM 0 HG SER A 93 4.067 2.132 -11.951 1.00 0.00 H new ATOM 1353 N LEU A 94 3.324 1.540 -7.413 1.00 0.00 N ATOM 1354 CA LEU A 94 3.997 0.634 -6.499 1.00 0.00 C ATOM 1355 C LEU A 94 3.675 -0.810 -6.891 1.00 0.00 C ATOM 1356 O LEU A 94 2.514 -1.214 -6.889 1.00 0.00 O ATOM 1357 CB LEU A 94 3.640 0.971 -5.050 1.00 0.00 C ATOM 1358 CG LEU A 94 4.808 1.381 -4.150 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.629 2.811 -3.636 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.997 0.380 -3.008 1.00 0.00 C ATOM 0 H LEU A 94 2.314 1.409 -7.477 1.00 0.00 H new ATOM 0 HA LEU A 94 5.078 0.752 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.910 1.780 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.152 0.104 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 94 5.721 1.366 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.473 3.077 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.581 3.498 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.705 2.878 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.833 0.694 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.089 0.339 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.203 -0.608 -3.420 1.00 0.00 H new ATOM 1372 N SER A 95 4.726 -1.549 -7.217 1.00 0.00 N ATOM 1373 CA SER A 95 4.570 -2.939 -7.611 1.00 0.00 C ATOM 1374 C SER A 95 4.580 -3.837 -6.372 1.00 0.00 C ATOM 1375 O SER A 95 5.184 -3.494 -5.357 1.00 0.00 O ATOM 1376 CB SER A 95 5.673 -3.363 -8.583 1.00 0.00 C ATOM 1377 OG SER A 95 5.969 -2.343 -9.532 1.00 0.00 O ATOM 0 H SER A 95 5.688 -1.211 -7.216 1.00 0.00 H new ATOM 0 HA SER A 95 3.613 -3.045 -8.122 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.575 -3.610 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.366 -4.268 -9.107 1.00 0.00 H new ATOM 0 HG SER A 95 6.679 -2.651 -10.133 1.00 0.00 H new ATOM 1383 N LEU A 96 3.903 -4.970 -6.497 1.00 0.00 N ATOM 1384 CA LEU A 96 3.826 -5.920 -5.400 1.00 0.00 C ATOM 1385 C LEU A 96 5.236 -6.203 -4.877 1.00 0.00 C ATOM 1386 O LEU A 96 5.997 -6.942 -5.500 1.00 0.00 O ATOM 1387 CB LEU A 96 3.067 -7.176 -5.832 1.00 0.00 C ATOM 1388 CG LEU A 96 1.616 -7.279 -5.358 1.00 0.00 C ATOM 1389 CD1 LEU A 96 0.871 -8.383 -6.110 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.547 -7.470 -3.842 1.00 0.00 C ATOM 0 H LEU A 96 3.403 -5.251 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 96 3.256 -5.500 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.077 -7.226 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.610 -8.048 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 96 1.114 -6.339 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.158 -8.435 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.875 -8.163 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.364 -9.339 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.505 -7.540 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.070 -8.386 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.017 -6.620 -3.346 1.00 0.00 H new ATOM 1402 N GLY A 97 5.541 -5.600 -3.737 1.00 0.00 N ATOM 1403 CA GLY A 97 6.846 -5.778 -3.122 1.00 0.00 C ATOM 1404 C GLY A 97 7.536 -4.431 -2.902 1.00 0.00 C ATOM 1405 O GLY A 97 8.287 -4.263 -1.942 1.00 0.00 O ATOM 0 H GLY A 97 4.907 -4.988 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.735 -6.294 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.468 -6.410 -3.756 1.00 0.00 H new ATOM 1409 N ASP A 98 7.258 -3.504 -3.807 1.00 0.00 N ATOM 1410 CA ASP A 98 7.843 -2.177 -3.724 1.00 0.00 C ATOM 1411 C ASP A 98 7.546 -1.579 -2.347 1.00 0.00 C ATOM 1412 O ASP A 98 6.564 -1.948 -1.705 1.00 0.00 O ATOM 1413 CB ASP A 98 7.249 -1.245 -4.782 1.00 0.00 C ATOM 1414 CG ASP A 98 7.899 -1.338 -6.164 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.105 -2.484 -6.619 1.00 0.00 O ATOM 1416 OD2 ASP A 98 8.177 -0.261 -6.735 1.00 0.00 O ATOM 0 H ASP A 98 6.635 -3.646 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 98 8.916 -2.271 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.186 -1.464 -4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.331 -0.218 -4.427 1.00 0.00 H new ATOM 1421 N VAL A 99 8.413 -0.665 -1.935 1.00 0.00 N ATOM 1422 CA VAL A 99 8.256 -0.013 -0.646 1.00 0.00 C ATOM 1423 C VAL A 99 7.646 1.375 -0.853 1.00 0.00 C ATOM 1424 O VAL A 99 7.633 1.891 -1.970 1.00 0.00 O ATOM 1425 CB VAL A 99 9.598 0.028 0.087 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.508 0.889 1.349 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.082 -1.385 0.421 1.00 0.00 C ATOM 0 H VAL A 99 9.226 -0.361 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 99 7.572 -0.578 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 99 10.330 0.485 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.475 0.901 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.228 1.906 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.756 0.474 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.038 -1.329 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.350 -1.879 1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.204 -1.955 -0.500 1.00 0.00 H new ATOM 1437 N LEU A 100 7.155 1.940 0.240 1.00 0.00 N ATOM 1438 CA LEU A 100 6.545 3.258 0.192 1.00 0.00 C ATOM 1439 C LEU A 100 6.892 4.022 1.471 1.00 0.00 C ATOM 1440 O LEU A 100 6.134 3.994 2.440 1.00 0.00 O ATOM 1441 CB LEU A 100 5.042 3.144 -0.068 1.00 0.00 C ATOM 1442 CG LEU A 100 4.255 4.456 -0.045 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.765 5.419 -1.119 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.753 4.197 -0.174 1.00 0.00 C ATOM 0 H LEU A 100 7.167 1.509 1.164 1.00 0.00 H new ATOM 0 HA LEU A 100 6.946 3.833 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.896 2.673 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.614 2.474 0.678 1.00 0.00 H new ATOM 0 HG LEU A 100 4.417 4.935 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.189 6.344 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.817 5.639 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.652 4.961 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.217 5.146 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.552 3.685 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.418 3.575 0.656 1.00 0.00 H new ATOM 1456 N TYR A 101 8.037 4.688 1.433 1.00 0.00 N ATOM 1457 CA TYR A 101 8.493 5.458 2.578 1.00 0.00 C ATOM 1458 C TYR A 101 7.545 6.624 2.867 1.00 0.00 C ATOM 1459 O TYR A 101 7.615 7.663 2.211 1.00 0.00 O ATOM 1460 CB TYR A 101 9.864 6.016 2.191 1.00 0.00 C ATOM 1461 CG TYR A 101 10.959 4.953 2.080 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.596 4.497 3.217 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.310 4.449 0.844 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.627 3.497 3.113 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.340 3.449 0.740 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.948 3.022 1.879 1.00 0.00 C ATOM 1467 OH TYR A 101 13.921 2.077 1.781 1.00 0.00 O ATOM 0 H TYR A 101 8.662 4.710 0.627 1.00 0.00 H new ATOM 0 HA TYR A 101 8.532 4.833 3.470 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.777 6.535 1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.165 6.758 2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.321 4.890 4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.812 4.805 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.134 3.132 3.994 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.624 3.047 -0.221 1.00 0.00 H new ATOM 0 HH TYR A 101 14.044 1.830 0.841 1.00 0.00 H new ATOM 1477 N LEU A 102 6.681 6.413 3.848 1.00 0.00 N ATOM 1478 CA LEU A 102 5.720 7.433 4.232 1.00 0.00 C ATOM 1479 C LEU A 102 6.365 8.814 4.091 1.00 0.00 C ATOM 1480 O LEU A 102 5.864 9.664 3.358 1.00 0.00 O ATOM 1481 CB LEU A 102 5.170 7.152 5.632 1.00 0.00 C ATOM 1482 CG LEU A 102 3.655 6.960 5.731 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.313 5.597 6.337 1.00 0.00 C ATOM 1484 CD2 LEU A 102 3.006 8.110 6.504 1.00 0.00 C ATOM 0 H LEU A 102 6.626 5.550 4.389 1.00 0.00 H new ATOM 0 HA LEU A 102 4.857 7.413 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.656 6.256 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.455 7.977 6.285 1.00 0.00 H new ATOM 0 HG LEU A 102 3.242 6.976 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.230 5.486 6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.725 4.806 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.740 5.526 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.929 7.949 6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.420 8.150 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.206 9.051 5.992 1.00 0.00 H new ATOM 1496 N VAL A 103 7.466 8.993 4.806 1.00 0.00 N ATOM 1497 CA VAL A 103 8.184 10.255 4.769 1.00 0.00 C ATOM 1498 C VAL A 103 9.568 10.068 5.395 1.00 0.00 C ATOM 1499 O VAL A 103 9.863 9.012 5.954 1.00 0.00 O ATOM 1500 CB VAL A 103 7.360 11.346 5.457 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.217 11.063 6.954 1.00 0.00 C ATOM 1502 CG2 VAL A 103 7.971 12.728 5.216 1.00 0.00 C ATOM 0 H VAL A 103 7.878 8.285 5.414 1.00 0.00 H new ATOM 0 HA VAL A 103 8.334 10.579 3.739 1.00 0.00 H new ATOM 0 HB VAL A 103 6.362 11.340 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.627 11.853 7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.717 10.105 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.205 11.029 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.367 13.485 5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.985 12.752 5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.997 12.933 4.146 1.00 0.00 H new ATOM 1512 N ASN A 104 10.380 11.108 5.279 1.00 0.00 N ATOM 1513 CA ASN A 104 11.726 11.071 5.826 1.00 0.00 C ATOM 1514 C ASN A 104 12.337 9.692 5.573 1.00 0.00 C ATOM 1515 O ASN A 104 12.927 9.096 6.472 1.00 0.00 O ATOM 1516 CB ASN A 104 11.713 11.313 7.337 1.00 0.00 C ATOM 1517 CG ASN A 104 10.571 12.250 7.733 1.00 0.00 C ATOM 1518 OD1 ASN A 104 9.697 11.910 8.514 1.00 0.00 O ATOM 1519 ND2 ASN A 104 10.626 13.445 7.152 1.00 0.00 N ATOM 0 H ASN A 104 10.132 11.982 4.814 1.00 0.00 H new ATOM 0 HA ASN A 104 12.309 11.854 5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.606 10.363 7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.665 11.743 7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.908 14.142 7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.386 13.664 6.508 1.00 0.00 H new ATOM 1526 N GLY A 105 12.175 9.225 4.344 1.00 0.00 N ATOM 1527 CA GLY A 105 12.704 7.927 3.961 1.00 0.00 C ATOM 1528 C GLY A 105 12.559 6.917 5.102 1.00 0.00 C ATOM 1529 O GLY A 105 13.356 5.988 5.218 1.00 0.00 O ATOM 0 H GLY A 105 11.685 9.722 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.178 7.562 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.755 8.025 3.688 1.00 0.00 H new ATOM 1533 N LEU A 106 11.536 7.135 5.915 1.00 0.00 N ATOM 1534 CA LEU A 106 11.277 6.256 7.043 1.00 0.00 C ATOM 1535 C LEU A 106 9.851 5.710 6.941 1.00 0.00 C ATOM 1536 O LEU A 106 9.181 5.899 5.927 1.00 0.00 O ATOM 1537 CB LEU A 106 11.568 6.976 8.361 1.00 0.00 C ATOM 1538 CG LEU A 106 13.029 6.984 8.813 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.159 7.519 10.240 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.657 5.596 8.662 1.00 0.00 C ATOM 0 H LEU A 106 10.877 7.907 5.815 1.00 0.00 H new ATOM 0 HA LEU A 106 11.949 5.398 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.231 8.009 8.270 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.969 6.513 9.145 1.00 0.00 H new ATOM 0 HG LEU A 106 13.584 7.661 8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.208 7.514 10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.775 8.538 10.283 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.587 6.887 10.919 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.696 5.629 8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.107 4.879 9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.616 5.290 7.617 1.00 0.00 H new ATOM 1552 N TYR A 107 9.429 5.044 8.006 1.00 0.00 N ATOM 1553 CA TYR A 107 8.095 4.470 8.050 1.00 0.00 C ATOM 1554 C TYR A 107 7.698 3.901 6.686 1.00 0.00 C ATOM 1555 O TYR A 107 6.716 4.340 6.089 1.00 0.00 O ATOM 1556 CB TYR A 107 7.152 5.621 8.403 1.00 0.00 C ATOM 1557 CG TYR A 107 7.713 6.588 9.448 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.085 6.119 10.692 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.848 7.928 9.147 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.614 7.028 11.676 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.377 8.837 10.131 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.733 8.342 11.347 1.00 0.00 C ATOM 1563 OH TYR A 107 9.232 9.201 12.276 1.00 0.00 O ATOM 0 H TYR A 107 9.988 4.889 8.845 1.00 0.00 H new ATOM 0 HA TYR A 107 8.051 3.657 8.774 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.920 6.178 7.495 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.213 5.208 8.772 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.979 5.070 10.927 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.557 8.295 8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.909 6.674 12.653 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.489 9.888 9.908 1.00 0.00 H new ATOM 0 HH TYR A 107 9.485 10.042 11.841 1.00 0.00 H new ATOM 1573 N PRO A 108 8.503 2.908 6.221 1.00 0.00 N ATOM 1574 CA PRO A 108 8.245 2.275 4.939 1.00 0.00 C ATOM 1575 C PRO A 108 7.056 1.317 5.029 1.00 0.00 C ATOM 1576 O PRO A 108 6.525 1.082 6.114 1.00 0.00 O ATOM 1577 CB PRO A 108 9.545 1.576 4.577 1.00 0.00 C ATOM 1578 CG PRO A 108 10.327 1.452 5.875 1.00 0.00 C ATOM 1579 CD PRO A 108 9.674 2.364 6.901 1.00 0.00 C ATOM 0 HA PRO A 108 7.964 2.990 4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.353 0.595 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.104 2.149 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.324 0.420 6.225 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.369 1.734 5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.391 1.813 7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.353 3.157 7.215 1.00 0.00 H new ATOM 1587 N LEU A 109 6.673 0.789 3.876 1.00 0.00 N ATOM 1588 CA LEU A 109 5.556 -0.139 3.812 1.00 0.00 C ATOM 1589 C LEU A 109 5.730 -1.056 2.599 1.00 0.00 C ATOM 1590 O LEU A 109 6.069 -0.594 1.511 1.00 0.00 O ATOM 1591 CB LEU A 109 4.228 0.620 3.823 1.00 0.00 C ATOM 1592 CG LEU A 109 3.770 1.150 5.184 1.00 0.00 C ATOM 1593 CD1 LEU A 109 4.014 2.656 5.296 1.00 0.00 C ATOM 1594 CD2 LEU A 109 2.308 0.785 5.451 1.00 0.00 C ATOM 0 H LEU A 109 7.116 0.986 2.979 1.00 0.00 H new ATOM 0 HA LEU A 109 5.539 -0.777 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.308 1.462 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.452 -0.039 3.432 1.00 0.00 H new ATOM 0 HG LEU A 109 4.369 0.668 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.680 3.007 6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.078 2.862 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.458 3.174 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.008 1.173 6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.677 1.220 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.196 -0.299 5.443 1.00 0.00 H new ATOM 1606 N THR A 110 5.490 -2.338 2.828 1.00 0.00 N ATOM 1607 CA THR A 110 5.616 -3.324 1.769 1.00 0.00 C ATOM 1608 C THR A 110 4.243 -3.650 1.178 1.00 0.00 C ATOM 1609 O THR A 110 3.317 -4.004 1.907 1.00 0.00 O ATOM 1610 CB THR A 110 6.336 -4.546 2.342 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.470 -3.999 3.010 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.939 -5.435 1.253 1.00 0.00 C ATOM 0 H THR A 110 5.209 -2.717 3.732 1.00 0.00 H new ATOM 0 HA THR A 110 6.210 -2.939 0.940 1.00 0.00 H new ATOM 0 HB THR A 110 5.638 -5.130 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.993 -4.723 3.413 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.438 -6.287 1.714 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.147 -5.791 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.662 -4.861 0.674 1.00 0.00 H new ATOM 1620 N LEU A 111 4.153 -3.519 -0.137 1.00 0.00 N ATOM 1621 CA LEU A 111 2.909 -3.796 -0.834 1.00 0.00 C ATOM 1622 C LEU A 111 2.780 -5.303 -1.061 1.00 0.00 C ATOM 1623 O LEU A 111 3.568 -5.893 -1.799 1.00 0.00 O ATOM 1624 CB LEU A 111 2.820 -2.971 -2.120 1.00 0.00 C ATOM 1625 CG LEU A 111 1.733 -3.390 -3.112 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.341 -3.248 -2.493 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.859 -2.612 -4.424 1.00 0.00 C ATOM 0 H LEU A 111 4.922 -3.224 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 111 2.057 -3.491 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.654 -1.928 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.784 -3.019 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 111 1.874 -4.445 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.413 -3.552 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.270 -3.881 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.173 -2.209 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.075 -2.929 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.758 -1.545 -4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.834 -2.807 -4.871 1.00 0.00 H new ATOM 1639 N ARG A 112 1.781 -5.884 -0.413 1.00 0.00 N ATOM 1640 CA ARG A 112 1.539 -7.311 -0.535 1.00 0.00 C ATOM 1641 C ARG A 112 0.158 -7.566 -1.142 1.00 0.00 C ATOM 1642 O ARG A 112 -0.676 -6.663 -1.197 1.00 0.00 O ATOM 1643 CB ARG A 112 1.625 -8.003 0.827 1.00 0.00 C ATOM 1644 CG ARG A 112 3.054 -7.965 1.372 1.00 0.00 C ATOM 1645 CD ARG A 112 3.918 -9.047 0.721 1.00 0.00 C ATOM 1646 NE ARG A 112 5.280 -9.022 1.298 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.212 -9.956 1.065 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.934 -10.995 0.266 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.422 -9.852 1.632 1.00 0.00 N ATOM 0 H ARG A 112 1.130 -5.392 0.198 1.00 0.00 H new ATOM 0 HA ARG A 112 2.308 -7.722 -1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.951 -7.514 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.295 -9.038 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.492 -6.984 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.039 -8.108 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.466 -10.027 0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.967 -8.886 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 112 5.525 -8.245 1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.013 -11.075 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.643 -11.706 0.089 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.634 -9.062 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.131 -10.563 1.454 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.042 -8.799 -1.583 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.308 -9.184 -2.183 1.00 0.00 C ATOM 1665 C TRP A 113 -1.691 -10.561 -1.638 1.00 0.00 C ATOM 1666 O TRP A 113 -0.852 -11.457 -1.561 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.223 -9.148 -3.711 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.130 -10.164 -4.408 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.146 -11.495 -4.258 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.159 -9.874 -5.378 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.106 -12.083 -5.057 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.741 -11.066 -5.759 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.584 -8.646 -5.915 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.781 -11.146 -6.693 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.624 -8.744 -6.847 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.221 -9.935 -7.242 1.00 0.00 C ATOM 0 H TRP A 113 0.652 -9.545 -1.537 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.092 -8.475 -1.918 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.483 -8.147 -4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.191 -9.331 -4.012 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.490 -12.040 -3.595 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.311 -13.080 -5.120 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.143 -7.702 -5.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.221 -12.091 -6.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.988 -7.829 -7.290 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.020 -9.927 -7.969 1.00 0.00 H new ATOM 1687 N SER A 114 -2.959 -10.686 -1.274 1.00 0.00 N ATOM 1688 CA SER A 114 -3.463 -11.939 -0.738 1.00 0.00 C ATOM 1689 C SER A 114 -3.746 -12.919 -1.878 1.00 0.00 C ATOM 1690 O SER A 114 -4.347 -12.549 -2.885 1.00 0.00 O ATOM 1691 CB SER A 114 -4.728 -11.713 0.094 1.00 0.00 C ATOM 1692 OG SER A 114 -4.991 -12.803 0.972 1.00 0.00 O ATOM 0 H SER A 114 -3.652 -9.940 -1.340 1.00 0.00 H new ATOM 0 HA SER A 114 -2.701 -12.363 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.621 -10.797 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.579 -11.570 -0.572 1.00 0.00 H new ATOM 0 HG SER A 114 -5.805 -12.620 1.486 1.00 0.00 H new ATOM 1698 N GLY A 115 -3.300 -14.151 -1.680 1.00 0.00 N ATOM 1699 CA GLY A 115 -3.498 -15.188 -2.679 1.00 0.00 C ATOM 1700 C GLY A 115 -3.453 -16.578 -2.042 1.00 0.00 C ATOM 1701 O GLY A 115 -2.990 -16.734 -0.914 1.00 0.00 O ATOM 0 H GLY A 115 -2.802 -14.454 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.458 -15.042 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.728 -15.111 -3.446 1.00 0.00 H new ATOM 1705 N PRO A 116 -3.954 -17.580 -2.814 1.00 0.00 N ATOM 1706 CA PRO A 116 -3.976 -18.952 -2.337 1.00 0.00 C ATOM 1707 C PRO A 116 -2.577 -19.571 -2.382 1.00 0.00 C ATOM 1708 O PRO A 116 -1.972 -19.671 -3.448 1.00 0.00 O ATOM 1709 CB PRO A 116 -4.970 -19.666 -3.239 1.00 0.00 C ATOM 1710 CG PRO A 116 -5.117 -18.790 -4.473 1.00 0.00 C ATOM 1711 CD PRO A 116 -4.511 -17.433 -4.156 1.00 0.00 C ATOM 0 HA PRO A 116 -4.278 -19.029 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.611 -20.660 -3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -5.929 -19.798 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.612 -19.244 -5.326 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.168 -18.685 -4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.739 -17.166 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.264 -16.646 -4.188 1.00 0.00 H new ATOM 1719 N SER A 117 -2.104 -19.969 -1.210 1.00 0.00 N ATOM 1720 CA SER A 117 -0.788 -20.575 -1.102 1.00 0.00 C ATOM 1721 C SER A 117 -0.498 -20.940 0.355 1.00 0.00 C ATOM 1722 O SER A 117 0.019 -20.121 1.113 1.00 0.00 O ATOM 1723 CB SER A 117 0.296 -19.639 -1.640 1.00 0.00 C ATOM 1724 OG SER A 117 1.046 -20.239 -2.693 1.00 0.00 O ATOM 0 H SER A 117 -2.608 -19.884 -0.328 1.00 0.00 H new ATOM 0 HA SER A 117 -0.779 -21.482 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.165 -18.720 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.969 -19.360 -0.829 1.00 0.00 H new ATOM 0 HG SER A 117 1.726 -19.609 -3.010 1.00 0.00 H new ATOM 1730 N SER A 118 -0.844 -22.171 0.704 1.00 0.00 N ATOM 1731 CA SER A 118 -0.627 -22.654 2.057 1.00 0.00 C ATOM 1732 C SER A 118 -0.183 -24.118 2.025 1.00 0.00 C ATOM 1733 O SER A 118 0.879 -24.460 2.544 1.00 0.00 O ATOM 1734 CB SER A 118 -1.891 -22.502 2.905 1.00 0.00 C ATOM 1735 OG SER A 118 -1.785 -23.189 4.149 1.00 0.00 O ATOM 0 H SER A 118 -1.273 -22.848 0.073 1.00 0.00 H new ATOM 0 HA SER A 118 0.159 -22.052 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.079 -21.444 3.090 1.00 0.00 H new ATOM 0 HB3 SER A 118 -2.748 -22.886 2.351 1.00 0.00 H new ATOM 0 HG SER A 118 -2.611 -23.067 4.662 1.00 0.00 H new ATOM 1741 N GLY A 119 -1.018 -24.943 1.410 1.00 0.00 N ATOM 1742 CA GLY A 119 -0.724 -26.362 1.304 1.00 0.00 C ATOM 1743 C GLY A 119 -1.338 -26.955 0.033 1.00 0.00 C ATOM 1744 O GLY A 119 -0.626 -27.247 -0.926 1.00 0.00 O ATOM 0 H GLY A 119 -1.897 -24.656 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.355 -26.514 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -1.113 -26.884 2.178 1.00 0.00 H new TER 1748 GLY A 119