USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1096 hydrogens (48 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 86 TYR OH : rot 180:sc= -0.931 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.55 K(o=-2.5,f=-3.1) USER MOD Set 2.1: A 59 GLN : amide:sc= -0.0848 K(o=-0.38,f=-3!) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.298 K(o=-0.38,f=-1.2) USER MOD Set 3.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 29 TYR OH : rot 163:sc= 0.874 USER MOD Set 4.2: A 97 THR OG1 : rot 35:sc= 0.28 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.278 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.511 K(o=-0.51,f=-2.5!) USER MOD Single : A 33 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-9.3!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.13 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.669 USER MOD Single : A 54 SER OG : rot 180:sc= 0.133 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.215 USER MOD Single : A 65 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.059) USER MOD Single : A 67 SER OG : rot 144:sc= -1.58! USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.433 USER MOD Single : A 80 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -140:sc= -1.42 USER MOD Single : A 89 HIS : +bothHN:sc= 0.884 K(o=0.88,f=-4.1!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.5!) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 117 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.6!) USER MOD Single : A 122 THR OG1 : rot 33:sc= 0.434 USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 126 SER OG : rot -58:sc= 0.32 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 9:sc= 0.631! USER MOD Single : A 130 GLN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.0647 K(o=-0.065,f=-1.1) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -5.085 8.508 -0.824 1.00 13.00 N ATOM 2 CA GLY A 2 -5.487 7.165 -1.195 1.00 45.03 C ATOM 3 C GLY A 2 -4.446 6.125 -0.829 1.00 21.52 C ATOM 4 O GLY A 2 -3.252 6.422 -0.782 1.00 25.13 O ATOM 0 HA2 GLY A 2 -6.428 6.922 -0.702 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -5.671 7.128 -2.269 1.00 45.03 H new ATOM 8 N ALA A 3 -4.898 4.903 -0.567 1.00 73.20 N ATOM 9 CA ALA A 3 -3.997 3.817 -0.203 1.00 21.42 C ATOM 10 C ALA A 3 -3.838 2.827 -1.354 1.00 31.04 C ATOM 11 O ALA A 3 -2.725 2.412 -1.678 1.00 21.44 O ATOM 12 CB ALA A 3 -4.504 3.105 1.041 1.00 52.14 C ATOM 0 H ALA A 3 -5.883 4.641 -0.600 1.00 73.20 H new ATOM 0 HA ALA A 3 -3.018 4.246 0.011 1.00 21.42 H new ATOM 0 HB1 ALA A 3 -3.821 2.296 1.301 1.00 52.14 H new ATOM 0 HB2 ALA A 3 -4.560 3.813 1.868 1.00 52.14 H new ATOM 0 HB3 ALA A 3 -5.495 2.695 0.847 1.00 52.14 H new ATOM 18 N ARG A 4 -4.957 2.454 -1.965 1.00 31.11 N ATOM 19 CA ARG A 4 -4.941 1.512 -3.078 1.00 72.24 C ATOM 20 C ARG A 4 -4.964 2.248 -4.414 1.00 34.42 C ATOM 21 O ARG A 4 -4.929 3.478 -4.458 1.00 54.24 O ATOM 22 CB ARG A 4 -6.136 0.562 -2.987 1.00 41.32 C ATOM 23 CG ARG A 4 -5.765 -0.903 -3.156 1.00 3.30 C ATOM 24 CD ARG A 4 -6.939 -1.815 -2.837 1.00 52.13 C ATOM 25 NE ARG A 4 -7.933 -1.823 -3.907 1.00 35.53 N ATOM 26 CZ ARG A 4 -9.000 -2.613 -3.913 1.00 61.51 C ATOM 27 NH1 ARG A 4 -9.212 -3.454 -2.912 1.00 41.44 N1+ ATOM 28 NH2 ARG A 4 -9.860 -2.561 -4.924 1.00 31.10 N ATOM 0 H ARG A 4 -5.886 2.789 -1.709 1.00 31.11 H new ATOM 0 HA ARG A 4 -4.019 0.933 -3.017 1.00 72.24 H new ATOM 0 HB2 ARG A 4 -6.623 0.696 -2.021 1.00 41.32 H new ATOM 0 HB3 ARG A 4 -6.864 0.834 -3.751 1.00 41.32 H new ATOM 0 HG2 ARG A 4 -5.433 -1.080 -4.179 1.00 3.30 H new ATOM 0 HG3 ARG A 4 -4.927 -1.145 -2.503 1.00 3.30 H new ATOM 0 HD2 ARG A 4 -6.576 -2.829 -2.672 1.00 52.13 H new ATOM 0 HD3 ARG A 4 -7.409 -1.490 -1.909 1.00 52.13 H new ATOM 0 HE ARG A 4 -7.800 -1.187 -4.693 1.00 35.53 H new ATOM 0 HH11 ARG A 4 -8.555 -3.496 -2.133 1.00 41.44 H new ATOM 0 HH12 ARG A 4 -10.033 -4.060 -2.920 1.00 41.44 H new ATOM 0 HH21 ARG A 4 -9.701 -1.914 -5.696 1.00 31.10 H new ATOM 0 HH22 ARG A 4 -10.680 -3.168 -4.928 1.00 31.10 H new ATOM 42 N ALA A 5 -5.023 1.487 -5.503 1.00 54.21 N ATOM 43 CA ALA A 5 -5.051 2.067 -6.839 1.00 61.31 C ATOM 44 C ALA A 5 -6.477 2.401 -7.262 1.00 42.41 C ATOM 45 O ALA A 5 -7.120 1.631 -7.976 1.00 0.51 O ATOM 46 CB ALA A 5 -4.411 1.116 -7.841 1.00 3.41 C ATOM 0 H ALA A 5 -5.052 0.468 -5.485 1.00 54.21 H new ATOM 0 HA ALA A 5 -4.479 2.994 -6.818 1.00 61.31 H new ATOM 0 HB1 ALA A 5 -4.439 1.562 -8.835 1.00 3.41 H new ATOM 0 HB2 ALA A 5 -3.376 0.930 -7.556 1.00 3.41 H new ATOM 0 HB3 ALA A 5 -4.960 0.174 -7.851 1.00 3.41 H new ATOM 52 N SER A 6 -6.967 3.553 -6.816 1.00 22.23 N ATOM 53 CA SER A 6 -8.321 3.988 -7.145 1.00 75.24 C ATOM 54 C SER A 6 -8.303 5.359 -7.813 1.00 1.25 C ATOM 55 O SER A 6 -7.344 6.118 -7.676 1.00 13.32 O ATOM 56 CB SER A 6 -9.184 4.034 -5.884 1.00 53.42 C ATOM 57 OG SER A 6 -10.396 3.323 -6.069 1.00 34.24 O ATOM 0 H SER A 6 -6.447 4.203 -6.226 1.00 22.23 H new ATOM 0 HA SER A 6 -8.748 3.268 -7.843 1.00 75.24 H new ATOM 0 HB2 SER A 6 -8.632 3.607 -5.046 1.00 53.42 H new ATOM 0 HB3 SER A 6 -9.402 5.070 -5.627 1.00 53.42 H new ATOM 0 HG SER A 6 -10.929 3.366 -5.248 1.00 34.24 H new ATOM 63 N VAL A 7 -9.372 5.669 -8.539 1.00 21.24 N ATOM 64 CA VAL A 7 -9.482 6.950 -9.229 1.00 43.30 C ATOM 65 C VAL A 7 -10.678 7.748 -8.720 1.00 52.32 C ATOM 66 O VAL A 7 -10.517 8.791 -8.087 1.00 11.43 O ATOM 67 CB VAL A 7 -9.619 6.756 -10.752 1.00 12.52 C ATOM 68 CG1 VAL A 7 -9.622 8.101 -11.462 1.00 62.10 C ATOM 69 CG2 VAL A 7 -8.501 5.868 -11.278 1.00 5.52 C ATOM 0 H VAL A 7 -10.174 5.052 -8.665 1.00 21.24 H new ATOM 0 HA VAL A 7 -8.566 7.502 -9.021 1.00 43.30 H new ATOM 0 HB VAL A 7 -10.569 6.263 -10.955 1.00 12.52 H new ATOM 0 HG11 VAL A 7 -9.719 7.945 -12.536 1.00 62.10 H new ATOM 0 HG12 VAL A 7 -10.460 8.699 -11.105 1.00 62.10 H new ATOM 0 HG13 VAL A 7 -8.688 8.624 -11.255 1.00 62.10 H new ATOM 0 HG21 VAL A 7 -8.613 5.741 -12.355 1.00 5.52 H new ATOM 0 HG22 VAL A 7 -7.538 6.331 -11.065 1.00 5.52 H new ATOM 0 HG23 VAL A 7 -8.550 4.894 -10.791 1.00 5.52 H new ATOM 79 N LEU A 8 -11.878 7.249 -9.000 1.00 54.41 N ATOM 80 CA LEU A 8 -13.102 7.915 -8.569 1.00 60.41 C ATOM 81 C LEU A 8 -13.600 7.338 -7.248 1.00 64.23 C ATOM 82 O LEU A 8 -13.753 6.125 -7.108 1.00 41.31 O ATOM 83 CB LEU A 8 -14.185 7.776 -9.641 1.00 34.23 C ATOM 84 CG LEU A 8 -13.866 8.397 -11.001 1.00 63.42 C ATOM 85 CD1 LEU A 8 -14.984 8.113 -11.992 1.00 23.42 C ATOM 86 CD2 LEU A 8 -13.640 9.896 -10.864 1.00 25.44 C ATOM 0 H LEU A 8 -12.029 6.386 -9.523 1.00 54.41 H new ATOM 0 HA LEU A 8 -12.879 8.972 -8.421 1.00 60.41 H new ATOM 0 HB2 LEU A 8 -14.389 6.715 -9.787 1.00 34.23 H new ATOM 0 HB3 LEU A 8 -15.102 8.228 -9.263 1.00 34.23 H new ATOM 0 HG LEU A 8 -12.949 7.945 -11.379 1.00 63.42 H new ATOM 0 HD11 LEU A 8 -14.740 8.563 -12.955 1.00 23.42 H new ATOM 0 HD12 LEU A 8 -15.098 7.036 -12.113 1.00 23.42 H new ATOM 0 HD13 LEU A 8 -15.917 8.537 -11.620 1.00 23.42 H new ATOM 0 HD21 LEU A 8 -13.414 10.321 -11.842 1.00 25.44 H new ATOM 0 HD22 LEU A 8 -14.539 10.364 -10.464 1.00 25.44 H new ATOM 0 HD23 LEU A 8 -12.805 10.078 -10.188 1.00 25.44 H new ATOM 98 N SER A 9 -13.855 8.216 -6.284 1.00 54.20 N ATOM 99 CA SER A 9 -14.335 7.794 -4.973 1.00 54.44 C ATOM 100 C SER A 9 -15.785 7.327 -5.050 1.00 2.04 C ATOM 101 O SER A 9 -16.357 7.216 -6.134 1.00 14.15 O ATOM 102 CB SER A 9 -14.207 8.938 -3.967 1.00 11.35 C ATOM 103 OG SER A 9 -15.361 9.762 -3.981 1.00 73.45 O ATOM 0 H SER A 9 -13.737 9.224 -6.386 1.00 54.20 H new ATOM 0 HA SER A 9 -13.720 6.958 -4.640 1.00 54.44 H new ATOM 0 HB2 SER A 9 -14.059 8.532 -2.967 1.00 11.35 H new ATOM 0 HB3 SER A 9 -13.327 9.536 -4.202 1.00 11.35 H new ATOM 0 HG SER A 9 -15.255 10.485 -3.328 1.00 73.45 H new ATOM 109 N GLY A 10 -16.376 7.056 -3.890 1.00 13.24 N ATOM 110 CA GLY A 10 -17.754 6.605 -3.847 1.00 23.13 C ATOM 111 C GLY A 10 -18.709 7.597 -4.484 1.00 51.50 C ATOM 112 O GLY A 10 -19.511 7.232 -5.343 1.00 2.23 O ATOM 0 H GLY A 10 -15.924 7.141 -2.979 1.00 13.24 H new ATOM 0 HA2 GLY A 10 -17.836 5.646 -4.359 1.00 23.13 H new ATOM 0 HA3 GLY A 10 -18.046 6.438 -2.810 1.00 23.13 H new ATOM 116 N GLY A 11 -18.623 8.855 -4.061 1.00 65.15 N ATOM 117 CA GLY A 11 -19.493 9.881 -4.606 1.00 13.42 C ATOM 118 C GLY A 11 -19.248 10.125 -6.081 1.00 62.55 C ATOM 119 O GLY A 11 -20.191 10.303 -6.851 1.00 22.10 O ATOM 0 H GLY A 11 -17.967 9.181 -3.351 1.00 65.15 H new ATOM 0 HA2 GLY A 11 -20.532 9.588 -4.457 1.00 13.42 H new ATOM 0 HA3 GLY A 11 -19.342 10.810 -4.057 1.00 13.42 H new ATOM 123 N GLU A 12 -17.979 10.135 -6.475 1.00 72.32 N ATOM 124 CA GLU A 12 -17.614 10.363 -7.869 1.00 53.34 C ATOM 125 C GLU A 12 -18.064 9.198 -8.746 1.00 51.21 C ATOM 126 O GLU A 12 -18.453 9.388 -9.899 1.00 42.34 O ATOM 127 CB GLU A 12 -16.101 10.558 -7.999 1.00 45.34 C ATOM 128 CG GLU A 12 -15.521 11.509 -6.966 1.00 71.42 C ATOM 129 CD GLU A 12 -14.067 11.846 -7.237 1.00 74.23 C ATOM 130 OE1 GLU A 12 -13.193 11.032 -6.871 1.00 73.43 O ATOM 131 OE2 GLU A 12 -13.803 12.921 -7.813 1.00 20.43 O1- ATOM 0 H GLU A 12 -17.187 9.988 -5.850 1.00 72.32 H new ATOM 0 HA GLU A 12 -18.120 11.267 -8.207 1.00 53.34 H new ATOM 0 HB2 GLU A 12 -15.609 9.590 -7.907 1.00 45.34 H new ATOM 0 HB3 GLU A 12 -15.876 10.936 -8.996 1.00 45.34 H new ATOM 0 HG2 GLU A 12 -16.107 12.428 -6.954 1.00 71.42 H new ATOM 0 HG3 GLU A 12 -15.608 11.062 -5.976 1.00 71.42 H new ATOM 138 N LEU A 13 -18.008 7.992 -8.192 1.00 51.03 N ATOM 139 CA LEU A 13 -18.410 6.794 -8.923 1.00 12.51 C ATOM 140 C LEU A 13 -19.878 6.870 -9.327 1.00 42.55 C ATOM 141 O LEU A 13 -20.232 6.605 -10.476 1.00 75.31 O ATOM 142 CB LEU A 13 -18.167 5.548 -8.071 1.00 51.43 C ATOM 143 CG LEU A 13 -18.176 4.213 -8.816 1.00 52.22 C ATOM 144 CD1 LEU A 13 -17.146 4.218 -9.934 1.00 32.41 C ATOM 145 CD2 LEU A 13 -17.915 3.063 -7.855 1.00 51.41 C ATOM 0 H LEU A 13 -17.688 7.817 -7.239 1.00 51.03 H new ATOM 0 HA LEU A 13 -17.806 6.731 -9.828 1.00 12.51 H new ATOM 0 HB2 LEU A 13 -17.204 5.656 -7.572 1.00 51.43 H new ATOM 0 HB3 LEU A 13 -18.928 5.511 -7.292 1.00 51.43 H new ATOM 0 HG LEU A 13 -19.162 4.074 -9.259 1.00 52.22 H new ATOM 0 HD11 LEU A 13 -17.167 3.260 -10.453 1.00 32.41 H new ATOM 0 HD12 LEU A 13 -17.377 5.017 -10.638 1.00 32.41 H new ATOM 0 HD13 LEU A 13 -16.154 4.381 -9.514 1.00 32.41 H new ATOM 0 HD21 LEU A 13 -17.925 2.121 -8.403 1.00 51.41 H new ATOM 0 HD22 LEU A 13 -16.942 3.197 -7.383 1.00 51.41 H new ATOM 0 HD23 LEU A 13 -18.691 3.045 -7.089 1.00 51.41 H new ATOM 157 N ASP A 14 -20.731 7.235 -8.375 1.00 14.02 N ATOM 158 CA ASP A 14 -22.161 7.349 -8.631 1.00 64.13 C ATOM 159 C ASP A 14 -22.426 8.230 -9.849 1.00 12.41 C ATOM 160 O ASP A 14 -23.149 7.839 -10.766 1.00 33.11 O ATOM 161 CB ASP A 14 -22.877 7.921 -7.407 1.00 3.11 C ATOM 162 CG ASP A 14 -23.261 6.848 -6.407 1.00 75.33 C ATOM 163 OD1 ASP A 14 -24.045 5.948 -6.774 1.00 3.23 O1- ATOM 164 OD2 ASP A 14 -22.777 6.907 -5.257 1.00 72.45 O ATOM 0 H ASP A 14 -20.455 7.457 -7.418 1.00 14.02 H new ATOM 0 HA ASP A 14 -22.549 6.351 -8.835 1.00 64.13 H new ATOM 0 HB2 ASP A 14 -22.231 8.652 -6.921 1.00 3.11 H new ATOM 0 HB3 ASP A 14 -23.773 8.451 -7.729 1.00 3.11 H new ATOM 169 N LYS A 15 -21.838 9.422 -9.849 1.00 40.12 N ATOM 170 CA LYS A 15 -22.009 10.359 -10.952 1.00 43.03 C ATOM 171 C LYS A 15 -21.358 9.827 -12.226 1.00 51.43 C ATOM 172 O LYS A 15 -21.922 9.936 -13.314 1.00 50.43 O ATOM 173 CB LYS A 15 -21.409 11.720 -10.591 1.00 42.14 C ATOM 174 CG LYS A 15 -22.445 12.820 -10.436 1.00 61.22 C ATOM 175 CD LYS A 15 -22.561 13.278 -8.992 1.00 51.34 C ATOM 176 CE LYS A 15 -23.987 13.680 -8.647 1.00 64.52 C ATOM 177 NZ LYS A 15 -24.473 13.001 -7.414 1.00 61.24 N1+ ATOM 0 H LYS A 15 -21.239 9.761 -9.097 1.00 40.12 H new ATOM 0 HA LYS A 15 -23.078 10.476 -11.133 1.00 43.03 H new ATOM 0 HB2 LYS A 15 -20.850 11.626 -9.660 1.00 42.14 H new ATOM 0 HB3 LYS A 15 -20.696 12.010 -11.363 1.00 42.14 H new ATOM 0 HG2 LYS A 15 -22.175 13.667 -11.067 1.00 61.22 H new ATOM 0 HG3 LYS A 15 -23.414 12.460 -10.783 1.00 61.22 H new ATOM 0 HD2 LYS A 15 -22.237 12.477 -8.328 1.00 51.34 H new ATOM 0 HD3 LYS A 15 -21.893 14.122 -8.822 1.00 51.34 H new ATOM 0 HE2 LYS A 15 -24.036 14.760 -8.510 1.00 64.52 H new ATOM 0 HE3 LYS A 15 -24.645 13.434 -9.480 1.00 64.52 H new ATOM 0 HZ1 LYS A 15 -25.448 13.302 -7.213 1.00 61.24 H new ATOM 0 HZ2 LYS A 15 -24.450 11.971 -7.553 1.00 61.24 H new ATOM 0 HZ3 LYS A 15 -23.861 13.256 -6.613 1.00 61.24 H new ATOM 191 N TRP A 16 -20.171 9.251 -12.080 1.00 73.44 N ATOM 192 CA TRP A 16 -19.444 8.700 -13.219 1.00 2.25 C ATOM 193 C TRP A 16 -20.325 7.745 -14.017 1.00 3.21 C ATOM 194 O TRP A 16 -20.438 7.865 -15.236 1.00 43.43 O ATOM 195 CB TRP A 16 -18.185 7.974 -12.744 1.00 12.41 C ATOM 196 CG TRP A 16 -17.476 7.234 -13.838 1.00 3.23 C ATOM 197 CD1 TRP A 16 -17.594 5.907 -14.139 1.00 75.10 C ATOM 198 CD2 TRP A 16 -16.541 7.779 -14.775 1.00 52.10 C ATOM 199 NE1 TRP A 16 -16.787 5.594 -15.206 1.00 30.15 N ATOM 200 CE2 TRP A 16 -16.131 6.726 -15.615 1.00 25.51 C ATOM 201 CE3 TRP A 16 -16.012 9.055 -14.986 1.00 73.10 C ATOM 202 CZ2 TRP A 16 -15.217 6.912 -16.648 1.00 62.53 C ATOM 203 CZ3 TRP A 16 -15.103 9.237 -16.012 1.00 1.31 C ATOM 204 CH2 TRP A 16 -14.714 8.171 -16.833 1.00 43.25 C ATOM 0 H TRP A 16 -19.691 9.153 -11.185 1.00 73.44 H new ATOM 0 HA TRP A 16 -19.155 9.527 -13.868 1.00 2.25 H new ATOM 0 HB2 TRP A 16 -17.501 8.699 -12.303 1.00 12.41 H new ATOM 0 HB3 TRP A 16 -18.455 7.271 -11.956 1.00 12.41 H new ATOM 0 HD1 TRP A 16 -18.228 5.207 -13.615 1.00 75.10 H new ATOM 0 HE1 TRP A 16 -16.692 4.669 -15.626 1.00 30.15 H new ATOM 0 HE3 TRP A 16 -16.308 9.884 -14.359 1.00 73.10 H new ATOM 0 HZ2 TRP A 16 -14.915 6.091 -17.282 1.00 62.53 H new ATOM 0 HZ3 TRP A 16 -14.686 10.218 -16.183 1.00 1.31 H new ATOM 0 HH2 TRP A 16 -14.003 8.346 -17.627 1.00 43.25 H new ATOM 215 N GLU A 17 -20.948 6.800 -13.321 1.00 52.15 N ATOM 216 CA GLU A 17 -21.819 5.824 -13.967 1.00 33.15 C ATOM 217 C GLU A 17 -23.000 6.514 -14.644 1.00 14.32 C ATOM 218 O GLU A 17 -23.567 5.998 -15.607 1.00 12.41 O ATOM 219 CB GLU A 17 -22.327 4.805 -12.945 1.00 14.13 C ATOM 220 CG GLU A 17 -21.345 3.678 -12.671 1.00 70.21 C ATOM 221 CD GLU A 17 -22.016 2.449 -12.089 1.00 41.43 C ATOM 222 OE1 GLU A 17 -22.622 1.680 -12.865 1.00 11.15 O ATOM 223 OE2 GLU A 17 -21.936 2.255 -10.858 1.00 12.02 O1- ATOM 0 H GLU A 17 -20.866 6.689 -12.310 1.00 52.15 H new ATOM 0 HA GLU A 17 -21.238 5.304 -14.729 1.00 33.15 H new ATOM 0 HB2 GLU A 17 -22.547 5.320 -12.010 1.00 14.13 H new ATOM 0 HB3 GLU A 17 -23.265 4.380 -13.303 1.00 14.13 H new ATOM 0 HG2 GLU A 17 -20.840 3.407 -13.598 1.00 70.21 H new ATOM 0 HG3 GLU A 17 -20.577 4.029 -11.981 1.00 70.21 H new ATOM 230 N LYS A 18 -23.366 7.685 -14.131 1.00 64.53 N ATOM 231 CA LYS A 18 -24.480 8.448 -14.685 1.00 53.32 C ATOM 232 C LYS A 18 -24.070 9.149 -15.975 1.00 12.25 C ATOM 233 O LYS A 18 -24.783 9.091 -16.978 1.00 14.52 O ATOM 234 CB LYS A 18 -24.975 9.478 -13.667 1.00 53.45 C ATOM 235 CG LYS A 18 -26.486 9.620 -13.632 1.00 52.44 C ATOM 236 CD LYS A 18 -26.940 10.459 -12.448 1.00 61.35 C ATOM 237 CE LYS A 18 -27.334 11.863 -12.880 1.00 13.41 C ATOM 238 NZ LYS A 18 -28.508 12.369 -12.116 1.00 11.51 N1+ ATOM 0 H LYS A 18 -22.908 8.126 -13.333 1.00 64.53 H new ATOM 0 HA LYS A 18 -25.288 7.752 -14.911 1.00 53.32 H new ATOM 0 HB2 LYS A 18 -24.622 9.195 -12.675 1.00 53.45 H new ATOM 0 HB3 LYS A 18 -24.533 10.447 -13.898 1.00 53.45 H new ATOM 0 HG2 LYS A 18 -26.831 10.080 -14.558 1.00 52.44 H new ATOM 0 HG3 LYS A 18 -26.944 8.632 -13.576 1.00 52.44 H new ATOM 0 HD2 LYS A 18 -27.787 9.976 -11.961 1.00 61.35 H new ATOM 0 HD3 LYS A 18 -26.139 10.515 -11.711 1.00 61.35 H new ATOM 0 HE2 LYS A 18 -26.490 12.537 -12.737 1.00 13.41 H new ATOM 0 HE3 LYS A 18 -27.566 11.864 -13.945 1.00 13.41 H new ATOM 0 HZ1 LYS A 18 -28.745 13.328 -12.440 1.00 11.51 H new ATOM 0 HZ2 LYS A 18 -29.321 11.740 -12.272 1.00 11.51 H new ATOM 0 HZ3 LYS A 18 -28.278 12.393 -11.102 1.00 11.51 H new ATOM 252 N ILE A 19 -22.917 9.810 -15.944 1.00 40.13 N ATOM 253 CA ILE A 19 -22.412 10.520 -17.113 1.00 42.21 C ATOM 254 C ILE A 19 -22.389 9.613 -18.339 1.00 34.24 C ATOM 255 O ILE A 19 -22.006 8.446 -18.254 1.00 14.55 O ATOM 256 CB ILE A 19 -20.995 11.071 -16.867 1.00 71.43 C ATOM 257 CG1 ILE A 19 -20.991 12.012 -15.662 1.00 1.52 C ATOM 258 CG2 ILE A 19 -20.484 11.788 -18.108 1.00 24.42 C ATOM 259 CD1 ILE A 19 -19.613 12.251 -15.085 1.00 51.42 C ATOM 0 H ILE A 19 -22.315 9.868 -15.122 1.00 40.13 H new ATOM 0 HA ILE A 19 -23.090 11.354 -17.295 1.00 42.21 H new ATOM 0 HB ILE A 19 -20.328 10.236 -16.653 1.00 71.43 H new ATOM 0 HG12 ILE A 19 -21.423 12.968 -15.957 1.00 1.52 H new ATOM 0 HG13 ILE A 19 -21.634 11.597 -14.886 1.00 1.52 H new ATOM 0 HG21 ILE A 19 -19.482 12.172 -17.919 1.00 24.42 H new ATOM 0 HG22 ILE A 19 -20.454 11.090 -18.945 1.00 24.42 H new ATOM 0 HG23 ILE A 19 -21.150 12.616 -18.350 1.00 24.42 H new ATOM 0 HD11 ILE A 19 -19.687 12.928 -14.234 1.00 51.42 H new ATOM 0 HD12 ILE A 19 -19.186 11.303 -14.759 1.00 51.42 H new ATOM 0 HD13 ILE A 19 -18.972 12.695 -15.846 1.00 51.42 H new ATOM 271 N ARG A 20 -22.798 10.159 -19.479 1.00 12.14 N ATOM 272 CA ARG A 20 -22.823 9.400 -20.724 1.00 14.21 C ATOM 273 C ARG A 20 -21.596 9.713 -21.576 1.00 31.51 C ATOM 274 O ARG A 20 -20.955 10.751 -21.403 1.00 53.04 O ATOM 275 CB ARG A 20 -24.096 9.711 -21.511 1.00 3.24 C ATOM 276 CG ARG A 20 -25.374 9.366 -20.763 1.00 1.34 C ATOM 277 CD ARG A 20 -26.606 9.613 -21.620 1.00 11.10 C ATOM 278 NE ARG A 20 -27.656 8.630 -21.366 1.00 13.33 N ATOM 279 CZ ARG A 20 -28.923 8.799 -21.726 1.00 30.24 C ATOM 280 NH1 ARG A 20 -29.296 9.906 -22.354 1.00 12.22 N1+ ATOM 281 NH2 ARG A 20 -29.820 7.859 -21.459 1.00 65.44 N ATOM 0 H ARG A 20 -23.117 11.124 -19.567 1.00 12.14 H new ATOM 0 HA ARG A 20 -22.810 8.339 -20.474 1.00 14.21 H new ATOM 0 HB2 ARG A 20 -24.107 10.771 -21.763 1.00 3.24 H new ATOM 0 HB3 ARG A 20 -24.075 9.160 -22.451 1.00 3.24 H new ATOM 0 HG2 ARG A 20 -25.346 8.320 -20.457 1.00 1.34 H new ATOM 0 HG3 ARG A 20 -25.437 9.963 -19.853 1.00 1.34 H new ATOM 0 HD2 ARG A 20 -26.991 10.613 -21.422 1.00 11.10 H new ATOM 0 HD3 ARG A 20 -26.327 9.581 -22.673 1.00 11.10 H new ATOM 0 HE ARG A 20 -27.402 7.767 -20.886 1.00 13.33 H new ATOM 0 HH11 ARG A 20 -28.609 10.631 -22.562 1.00 12.22 H new ATOM 0 HH12 ARG A 20 -30.270 10.033 -22.629 1.00 12.22 H new ATOM 0 HH21 ARG A 20 -29.537 7.006 -20.977 1.00 65.44 H new ATOM 0 HH22 ARG A 20 -30.793 7.989 -21.736 1.00 65.44 H new ATOM 295 N LEU A 21 -21.276 8.811 -22.496 1.00 61.15 N ATOM 296 CA LEU A 21 -20.126 8.990 -23.376 1.00 45.03 C ATOM 297 C LEU A 21 -20.451 9.962 -24.506 1.00 54.42 C ATOM 298 O LEU A 21 -19.564 10.628 -25.039 1.00 31.11 O ATOM 299 CB LEU A 21 -19.689 7.644 -23.957 1.00 41.24 C ATOM 300 CG LEU A 21 -19.357 6.551 -22.940 1.00 74.24 C ATOM 301 CD1 LEU A 21 -19.920 5.212 -23.393 1.00 14.23 C ATOM 302 CD2 LEU A 21 -17.852 6.455 -22.732 1.00 20.22 C ATOM 0 H LEU A 21 -21.796 7.948 -22.653 1.00 61.15 H new ATOM 0 HA LEU A 21 -19.310 9.407 -22.786 1.00 45.03 H new ATOM 0 HB2 LEU A 21 -20.482 7.277 -24.609 1.00 41.24 H new ATOM 0 HB3 LEU A 21 -18.812 7.808 -24.583 1.00 41.24 H new ATOM 0 HG LEU A 21 -19.819 6.814 -21.989 1.00 74.24 H new ATOM 0 HD11 LEU A 21 -19.674 4.446 -22.657 1.00 14.23 H new ATOM 0 HD12 LEU A 21 -21.003 5.287 -23.491 1.00 14.23 H new ATOM 0 HD13 LEU A 21 -19.487 4.942 -24.356 1.00 14.23 H new ATOM 0 HD21 LEU A 21 -17.634 5.672 -22.005 1.00 20.22 H new ATOM 0 HD22 LEU A 21 -17.368 6.216 -23.679 1.00 20.22 H new ATOM 0 HD23 LEU A 21 -17.474 7.408 -22.363 1.00 20.22 H new ATOM 314 N ARG A 22 -21.729 10.039 -24.864 1.00 32.00 N ATOM 315 CA ARG A 22 -22.171 10.932 -25.929 1.00 72.13 C ATOM 316 C ARG A 22 -23.516 11.564 -25.585 1.00 50.34 C ATOM 317 O ARG A 22 -24.326 10.998 -24.849 1.00 74.20 O ATOM 318 CB ARG A 22 -22.275 10.168 -27.250 1.00 23.43 C ATOM 319 CG ARG A 22 -23.295 9.042 -27.225 1.00 51.51 C ATOM 320 CD ARG A 22 -22.646 7.697 -27.510 1.00 43.53 C ATOM 321 NE ARG A 22 -23.523 6.818 -28.280 1.00 11.00 N ATOM 322 CZ ARG A 22 -23.222 5.560 -28.580 1.00 25.42 C ATOM 323 NH1 ARG A 22 -22.073 5.035 -28.176 1.00 61.41 N1+ ATOM 324 NH2 ARG A 22 -24.072 4.823 -29.286 1.00 34.12 N ATOM 0 H ARG A 22 -22.476 9.494 -24.433 1.00 32.00 H new ATOM 0 HA ARG A 22 -21.433 11.728 -26.034 1.00 72.13 H new ATOM 0 HB2 ARG A 22 -22.538 10.867 -28.044 1.00 23.43 H new ATOM 0 HB3 ARG A 22 -21.297 9.755 -27.499 1.00 23.43 H new ATOM 0 HG2 ARG A 22 -23.783 9.013 -26.251 1.00 51.51 H new ATOM 0 HG3 ARG A 22 -24.072 9.237 -27.965 1.00 51.51 H new ATOM 0 HD2 ARG A 22 -21.716 7.852 -28.058 1.00 43.53 H new ATOM 0 HD3 ARG A 22 -22.385 7.214 -26.569 1.00 43.53 H new ATOM 0 HE ARG A 22 -24.415 7.191 -28.605 1.00 11.00 H new ATOM 0 HH11 ARG A 22 -21.418 5.598 -27.633 1.00 61.41 H new ATOM 0 HH12 ARG A 22 -21.844 4.068 -28.408 1.00 61.41 H new ATOM 0 HH21 ARG A 22 -24.957 5.223 -29.598 1.00 34.12 H new ATOM 0 HH22 ARG A 22 -23.840 3.857 -29.516 1.00 34.12 H new ATOM 338 N PRO A 23 -23.762 12.763 -26.130 1.00 25.25 N ATOM 339 CA PRO A 23 -25.010 13.498 -25.895 1.00 32.12 C ATOM 340 C PRO A 23 -26.207 12.838 -26.570 1.00 4.53 C ATOM 341 O PRO A 23 -27.321 12.869 -26.047 1.00 73.31 O ATOM 342 CB PRO A 23 -24.735 14.870 -26.518 1.00 52.33 C ATOM 343 CG PRO A 23 -23.694 14.615 -27.552 1.00 12.11 C ATOM 344 CD PRO A 23 -22.844 13.497 -27.017 1.00 61.34 C ATOM 0 HA PRO A 23 -25.267 13.538 -24.836 1.00 32.12 H new ATOM 0 HB2 PRO A 23 -25.637 15.292 -26.960 1.00 52.33 H new ATOM 0 HB3 PRO A 23 -24.384 15.581 -25.770 1.00 52.33 H new ATOM 0 HG2 PRO A 23 -24.149 14.339 -28.503 1.00 12.11 H new ATOM 0 HG3 PRO A 23 -23.096 15.508 -27.732 1.00 12.11 H new ATOM 0 HD2 PRO A 23 -22.466 12.862 -27.818 1.00 61.34 H new ATOM 0 HD3 PRO A 23 -21.978 13.875 -26.474 1.00 61.34 H new ATOM 352 N GLY A 24 -25.971 12.240 -27.733 1.00 73.42 N ATOM 353 CA GLY A 24 -27.040 11.580 -28.458 1.00 25.21 C ATOM 354 C GLY A 24 -26.867 10.074 -28.504 1.00 21.31 C ATOM 355 O GLY A 24 -26.833 9.479 -29.580 1.00 41.40 O ATOM 0 H GLY A 24 -25.058 12.201 -28.186 1.00 73.42 H new ATOM 0 HA2 GLY A 24 -27.994 11.819 -27.989 1.00 25.21 H new ATOM 0 HA3 GLY A 24 -27.079 11.969 -29.475 1.00 25.21 H new ATOM 359 N GLY A 25 -26.755 9.458 -27.332 1.00 52.23 N ATOM 360 CA GLY A 25 -26.583 8.018 -27.264 1.00 1.21 C ATOM 361 C GLY A 25 -27.543 7.365 -26.290 1.00 65.24 C ATOM 362 O GLY A 25 -28.432 8.022 -25.747 1.00 22.11 O ATOM 0 H GLY A 25 -26.780 9.930 -26.428 1.00 52.23 H new ATOM 0 HA2 GLY A 25 -26.730 7.590 -28.256 1.00 1.21 H new ATOM 0 HA3 GLY A 25 -25.559 7.791 -26.967 1.00 1.21 H new ATOM 366 N LYS A 26 -27.368 6.066 -26.070 1.00 50.22 N ATOM 367 CA LYS A 26 -28.225 5.322 -25.155 1.00 2.24 C ATOM 368 C LYS A 26 -27.394 4.488 -24.185 1.00 0.15 C ATOM 369 O LYS A 26 -27.839 3.445 -23.708 1.00 51.42 O ATOM 370 CB LYS A 26 -29.176 4.414 -25.939 1.00 73.03 C ATOM 371 CG LYS A 26 -30.470 4.110 -25.205 1.00 22.40 C ATOM 372 CD LYS A 26 -30.714 2.613 -25.102 1.00 1.13 C ATOM 373 CE LYS A 26 -31.669 2.282 -23.966 1.00 11.45 C ATOM 374 NZ LYS A 26 -30.979 1.583 -22.847 1.00 60.15 N1+ ATOM 0 H LYS A 26 -26.640 5.507 -26.514 1.00 50.22 H new ATOM 0 HA LYS A 26 -28.809 6.041 -24.580 1.00 2.24 H new ATOM 0 HB2 LYS A 26 -29.411 4.886 -26.893 1.00 73.03 H new ATOM 0 HB3 LYS A 26 -28.667 3.477 -26.164 1.00 73.03 H new ATOM 0 HG2 LYS A 26 -30.433 4.543 -24.205 1.00 22.40 H new ATOM 0 HG3 LYS A 26 -31.304 4.581 -25.726 1.00 22.40 H new ATOM 0 HD2 LYS A 26 -31.124 2.244 -26.042 1.00 1.13 H new ATOM 0 HD3 LYS A 26 -29.766 2.099 -24.944 1.00 1.13 H new ATOM 0 HE2 LYS A 26 -32.124 3.200 -23.595 1.00 11.45 H new ATOM 0 HE3 LYS A 26 -32.477 1.655 -24.342 1.00 11.45 H new ATOM 0 HZ1 LYS A 26 -31.664 1.375 -22.093 1.00 60.15 H new ATOM 0 HZ2 LYS A 26 -30.566 0.694 -23.195 1.00 60.15 H new ATOM 0 HZ3 LYS A 26 -30.224 2.191 -22.471 1.00 60.15 H new ATOM 388 N LYS A 27 -26.184 4.957 -23.898 1.00 53.12 N ATOM 389 CA LYS A 27 -25.290 4.256 -22.983 1.00 5.45 C ATOM 390 C LYS A 27 -24.764 5.201 -21.907 1.00 2.33 C ATOM 391 O LYS A 27 -25.057 6.397 -21.921 1.00 73.51 O ATOM 392 CB LYS A 27 -24.120 3.640 -23.752 1.00 12.13 C ATOM 393 CG LYS A 27 -24.155 2.123 -23.801 1.00 52.14 C ATOM 394 CD LYS A 27 -22.847 1.551 -24.323 1.00 21.10 C ATOM 395 CE LYS A 27 -22.500 0.238 -23.638 1.00 11.24 C ATOM 396 NZ LYS A 27 -21.401 -0.480 -24.340 1.00 41.10 N1+ ATOM 0 H LYS A 27 -25.800 5.819 -24.285 1.00 53.12 H new ATOM 0 HA LYS A 27 -25.857 3.461 -22.499 1.00 5.45 H new ATOM 0 HB2 LYS A 27 -24.121 4.028 -24.771 1.00 12.13 H new ATOM 0 HB3 LYS A 27 -23.185 3.959 -23.291 1.00 12.13 H new ATOM 0 HG2 LYS A 27 -24.352 1.730 -22.803 1.00 52.14 H new ATOM 0 HG3 LYS A 27 -24.976 1.798 -24.440 1.00 52.14 H new ATOM 0 HD2 LYS A 27 -22.922 1.393 -25.399 1.00 21.10 H new ATOM 0 HD3 LYS A 27 -22.044 2.270 -24.162 1.00 21.10 H new ATOM 0 HE2 LYS A 27 -22.206 0.433 -22.607 1.00 11.24 H new ATOM 0 HE3 LYS A 27 -23.385 -0.398 -23.602 1.00 11.24 H new ATOM 0 HZ1 LYS A 27 -21.194 -1.370 -23.842 1.00 41.10 H new ATOM 0 HZ2 LYS A 27 -21.691 -0.689 -25.317 1.00 41.10 H new ATOM 0 HZ3 LYS A 27 -20.549 0.116 -24.352 1.00 41.10 H new ATOM 410 N GLN A 28 -23.987 4.657 -20.976 1.00 32.31 N ATOM 411 CA GLN A 28 -23.421 5.452 -19.894 1.00 14.25 C ATOM 412 C GLN A 28 -21.953 5.102 -19.671 1.00 15.14 C ATOM 413 O GLN A 28 -21.414 4.205 -20.318 1.00 73.22 O ATOM 414 CB GLN A 28 -24.211 5.232 -18.603 1.00 35.14 C ATOM 415 CG GLN A 28 -25.718 5.274 -18.798 1.00 12.11 C ATOM 416 CD GLN A 28 -26.295 3.923 -19.172 1.00 63.14 C ATOM 417 OE1 GLN A 28 -25.568 2.938 -19.300 1.00 62.54 O ATOM 418 NE2 GLN A 28 -27.610 3.869 -19.350 1.00 73.31 N ATOM 0 H GLN A 28 -23.735 3.669 -20.950 1.00 32.31 H new ATOM 0 HA GLN A 28 -23.487 6.503 -20.177 1.00 14.25 H new ATOM 0 HB2 GLN A 28 -23.935 4.267 -18.178 1.00 35.14 H new ATOM 0 HB3 GLN A 28 -23.925 5.994 -17.878 1.00 35.14 H new ATOM 0 HG2 GLN A 28 -26.190 5.625 -17.880 1.00 12.11 H new ATOM 0 HG3 GLN A 28 -25.960 5.997 -19.577 1.00 12.11 H new ATOM 0 HE21 GLN A 28 -28.175 4.710 -19.234 1.00 73.31 H new ATOM 0 HE22 GLN A 28 -28.055 2.987 -19.603 1.00 73.31 H new ATOM 427 N TYR A 29 -21.312 5.817 -18.752 1.00 43.02 N ATOM 428 CA TYR A 29 -19.907 5.583 -18.446 1.00 75.33 C ATOM 429 C TYR A 29 -19.746 4.426 -17.465 1.00 24.23 C ATOM 430 O TYR A 29 -20.613 4.186 -16.624 1.00 41.33 O ATOM 431 CB TYR A 29 -19.272 6.848 -17.867 1.00 34.54 C ATOM 432 CG TYR A 29 -18.489 7.653 -18.882 1.00 45.43 C ATOM 433 CD1 TYR A 29 -17.227 7.244 -19.295 1.00 34.43 C ATOM 434 CD2 TYR A 29 -19.011 8.819 -19.425 1.00 63.14 C ATOM 435 CE1 TYR A 29 -16.507 7.976 -20.221 1.00 2.13 C ATOM 436 CE2 TYR A 29 -18.301 9.555 -20.353 1.00 33.05 C ATOM 437 CZ TYR A 29 -17.049 9.130 -20.747 1.00 72.43 C ATOM 438 OH TYR A 29 -16.337 9.862 -21.670 1.00 33.13 O ATOM 0 H TYR A 29 -21.744 6.563 -18.207 1.00 43.02 H new ATOM 0 HA TYR A 29 -19.400 5.321 -19.374 1.00 75.33 H new ATOM 0 HB2 TYR A 29 -20.055 7.477 -17.444 1.00 34.54 H new ATOM 0 HB3 TYR A 29 -18.609 6.569 -17.048 1.00 34.54 H new ATOM 0 HD1 TYR A 29 -16.801 6.340 -18.886 1.00 34.43 H new ATOM 0 HD2 TYR A 29 -19.989 9.156 -19.116 1.00 63.14 H new ATOM 0 HE1 TYR A 29 -15.526 7.646 -20.530 1.00 2.13 H new ATOM 0 HE2 TYR A 29 -18.723 10.458 -20.768 1.00 33.05 H new ATOM 0 HH TYR A 29 -16.942 10.475 -22.138 1.00 33.13 H new ATOM 448 N LYS A 30 -18.632 3.712 -17.578 1.00 22.41 N ATOM 449 CA LYS A 30 -18.355 2.580 -16.701 1.00 2.02 C ATOM 450 C LYS A 30 -16.854 2.412 -16.488 1.00 24.32 C ATOM 451 O LYS A 30 -16.045 3.035 -17.176 1.00 23.13 O ATOM 452 CB LYS A 30 -18.944 1.296 -17.289 1.00 4.44 C ATOM 453 CG LYS A 30 -20.265 0.888 -16.657 1.00 35.24 C ATOM 454 CD LYS A 30 -20.317 -0.606 -16.388 1.00 31.52 C ATOM 455 CE LYS A 30 -21.561 -1.238 -16.992 1.00 21.33 C ATOM 456 NZ LYS A 30 -21.286 -2.597 -17.534 1.00 63.32 N1+ ATOM 0 H LYS A 30 -17.905 3.897 -18.269 1.00 22.41 H new ATOM 0 HA LYS A 30 -18.822 2.778 -15.736 1.00 2.02 H new ATOM 0 HB2 LYS A 30 -19.090 1.430 -18.361 1.00 4.44 H new ATOM 0 HB3 LYS A 30 -18.225 0.486 -17.164 1.00 4.44 H new ATOM 0 HG2 LYS A 30 -20.406 1.432 -15.723 1.00 35.24 H new ATOM 0 HG3 LYS A 30 -21.087 1.169 -17.316 1.00 35.24 H new ATOM 0 HD2 LYS A 30 -19.428 -1.082 -16.802 1.00 31.52 H new ATOM 0 HD3 LYS A 30 -20.303 -0.784 -15.313 1.00 31.52 H new ATOM 0 HE2 LYS A 30 -22.341 -1.301 -16.233 1.00 21.33 H new ATOM 0 HE3 LYS A 30 -21.942 -0.600 -17.789 1.00 21.33 H new ATOM 0 HZ1 LYS A 30 -22.159 -2.993 -17.937 1.00 63.32 H new ATOM 0 HZ2 LYS A 30 -20.560 -2.534 -18.276 1.00 63.32 H new ATOM 0 HZ3 LYS A 30 -20.947 -3.214 -16.769 1.00 63.32 H new ATOM 470 N LEU A 31 -16.488 1.564 -15.533 1.00 21.11 N ATOM 471 CA LEU A 31 -15.083 1.312 -15.230 1.00 5.00 C ATOM 472 C LEU A 31 -14.320 0.907 -16.487 1.00 3.24 C ATOM 473 O LEU A 31 -13.118 1.145 -16.600 1.00 75.14 O ATOM 474 CB LEU A 31 -14.959 0.218 -14.169 1.00 53.34 C ATOM 475 CG LEU A 31 -14.326 0.639 -12.843 1.00 52.45 C ATOM 476 CD1 LEU A 31 -15.341 1.366 -11.974 1.00 72.42 C ATOM 477 CD2 LEU A 31 -13.765 -0.572 -12.110 1.00 63.00 C ATOM 0 H LEU A 31 -17.144 1.039 -14.955 1.00 21.11 H new ATOM 0 HA LEU A 31 -14.648 2.234 -14.845 1.00 5.00 H new ATOM 0 HB2 LEU A 31 -15.954 -0.177 -13.965 1.00 53.34 H new ATOM 0 HB3 LEU A 31 -14.371 -0.600 -14.586 1.00 53.34 H new ATOM 0 HG LEU A 31 -13.504 1.322 -13.056 1.00 52.45 H new ATOM 0 HD11 LEU A 31 -14.872 1.658 -11.034 1.00 72.42 H new ATOM 0 HD12 LEU A 31 -15.695 2.256 -12.495 1.00 72.42 H new ATOM 0 HD13 LEU A 31 -16.184 0.706 -11.769 1.00 72.42 H new ATOM 0 HD21 LEU A 31 -13.318 -0.253 -11.168 1.00 63.00 H new ATOM 0 HD22 LEU A 31 -14.569 -1.280 -11.909 1.00 63.00 H new ATOM 0 HD23 LEU A 31 -13.005 -1.051 -12.728 1.00 63.00 H new ATOM 489 N LYS A 32 -15.027 0.296 -17.432 1.00 40.03 N ATOM 490 CA LYS A 32 -14.419 -0.139 -18.683 1.00 73.15 C ATOM 491 C LYS A 32 -13.657 1.005 -19.344 1.00 72.14 C ATOM 492 O LYS A 32 -12.641 0.787 -20.006 1.00 62.34 O ATOM 493 CB LYS A 32 -15.490 -0.672 -19.637 1.00 23.14 C ATOM 494 CG LYS A 32 -15.975 -2.069 -19.290 1.00 31.23 C ATOM 495 CD LYS A 32 -17.435 -2.261 -19.666 1.00 41.33 C ATOM 496 CE LYS A 32 -17.704 -3.680 -20.143 1.00 1.12 C ATOM 497 NZ LYS A 32 -19.058 -4.152 -19.742 1.00 42.12 N1+ ATOM 0 H LYS A 32 -16.023 0.091 -17.354 1.00 40.03 H new ATOM 0 HA LYS A 32 -13.714 -0.939 -18.456 1.00 73.15 H new ATOM 0 HB2 LYS A 32 -16.340 0.010 -19.632 1.00 23.14 H new ATOM 0 HB3 LYS A 32 -15.091 -0.677 -20.651 1.00 23.14 H new ATOM 0 HG2 LYS A 32 -15.364 -2.807 -19.810 1.00 31.23 H new ATOM 0 HG3 LYS A 32 -15.847 -2.245 -18.222 1.00 31.23 H new ATOM 0 HD2 LYS A 32 -18.066 -2.039 -18.805 1.00 41.33 H new ATOM 0 HD3 LYS A 32 -17.706 -1.554 -20.450 1.00 41.33 H new ATOM 0 HE2 LYS A 32 -17.611 -3.722 -21.228 1.00 1.12 H new ATOM 0 HE3 LYS A 32 -16.949 -4.351 -19.732 1.00 1.12 H new ATOM 0 HZ1 LYS A 32 -19.203 -5.123 -20.086 1.00 42.12 H new ATOM 0 HZ2 LYS A 32 -19.138 -4.136 -18.705 1.00 42.12 H new ATOM 0 HZ3 LYS A 32 -19.780 -3.527 -20.155 1.00 42.12 H new ATOM 511 N HIS A 33 -14.151 2.224 -19.160 1.00 2.15 N ATOM 512 CA HIS A 33 -13.516 3.404 -19.737 1.00 53.53 C ATOM 513 C HIS A 33 -12.367 3.886 -18.856 1.00 30.32 C ATOM 514 O HIS A 33 -11.415 4.429 -19.416 1.00 73.21 O ATOM 515 CB HIS A 33 -14.540 4.525 -19.917 1.00 64.33 C ATOM 516 CG HIS A 33 -15.791 4.085 -20.615 1.00 31.03 C ATOM 517 ND1 HIS A 33 -17.036 4.128 -20.024 1.00 32.55 N ATOM 518 CD2 HIS A 33 -15.984 3.594 -21.861 1.00 41.42 C ATOM 519 CE1 HIS A 33 -17.941 3.681 -20.876 1.00 31.40 C ATOM 520 NE2 HIS A 33 -17.329 3.351 -21.999 1.00 53.12 N ATOM 0 H HIS A 33 -14.990 2.422 -18.615 1.00 2.15 H new ATOM 0 HA HIS A 33 -13.114 3.130 -20.713 1.00 53.53 H new ATOM 0 HB2 HIS A 33 -14.802 4.928 -18.939 1.00 64.33 H new ATOM 0 HB3 HIS A 33 -14.083 5.336 -20.484 1.00 64.33 H new ATOM 0 HD2 HIS A 33 -15.222 3.425 -22.608 1.00 41.42 H new ATOM 0 HE1 HIS A 33 -19.001 3.599 -20.687 1.00 31.40 H new ATOM 0 HE2 HIS A 33 -17.781 2.977 -22.833 1.00 53.12 H new ATOM 528 N ILE A 34 -12.428 3.710 -17.540 1.00 61.10 N ATOM 529 CA ILE A 34 -11.354 4.153 -16.660 1.00 24.24 C ATOM 530 C ILE A 34 -10.126 3.261 -16.799 1.00 1.03 C ATOM 531 O ILE A 34 -8.991 3.735 -16.745 1.00 5.42 O ATOM 532 CB ILE A 34 -11.803 4.165 -15.187 1.00 43.43 C ATOM 533 CG1 ILE A 34 -13.085 4.985 -15.027 1.00 34.34 C ATOM 534 CG2 ILE A 34 -10.698 4.721 -14.301 1.00 44.41 C ATOM 535 CD1 ILE A 34 -13.687 4.903 -13.642 1.00 71.44 C ATOM 0 H ILE A 34 -13.210 3.264 -17.060 1.00 61.10 H new ATOM 0 HA ILE A 34 -11.097 5.169 -16.961 1.00 24.24 H new ATOM 0 HB ILE A 34 -12.009 3.140 -14.878 1.00 43.43 H new ATOM 0 HG12 ILE A 34 -12.871 6.028 -15.260 1.00 34.34 H new ATOM 0 HG13 ILE A 34 -13.820 4.641 -15.755 1.00 34.34 H new ATOM 0 HG21 ILE A 34 -11.030 4.723 -13.263 1.00 44.41 H new ATOM 0 HG22 ILE A 34 -9.808 4.099 -14.396 1.00 44.41 H new ATOM 0 HG23 ILE A 34 -10.463 5.740 -14.609 1.00 44.41 H new ATOM 0 HD11 ILE A 34 -14.593 5.508 -13.602 1.00 71.44 H new ATOM 0 HD12 ILE A 34 -13.933 3.866 -13.413 1.00 71.44 H new ATOM 0 HD13 ILE A 34 -12.969 5.275 -12.911 1.00 71.44 H new ATOM 547 N VAL A 35 -10.360 1.965 -16.979 1.00 64.31 N ATOM 548 CA VAL A 35 -9.272 1.006 -17.129 1.00 43.13 C ATOM 549 C VAL A 35 -8.547 1.200 -18.457 1.00 50.44 C ATOM 550 O VAL A 35 -7.326 1.067 -18.532 1.00 32.41 O ATOM 551 CB VAL A 35 -9.788 -0.444 -17.046 1.00 34.32 C ATOM 552 CG1 VAL A 35 -8.644 -1.428 -17.234 1.00 51.42 C ATOM 553 CG2 VAL A 35 -10.494 -0.683 -15.720 1.00 21.55 C ATOM 0 H VAL A 35 -11.293 1.555 -17.024 1.00 64.31 H new ATOM 0 HA VAL A 35 -8.576 1.185 -16.309 1.00 43.13 H new ATOM 0 HB VAL A 35 -10.508 -0.602 -17.849 1.00 34.32 H new ATOM 0 HG11 VAL A 35 -9.027 -2.447 -17.172 1.00 51.42 H new ATOM 0 HG12 VAL A 35 -8.186 -1.271 -18.210 1.00 51.42 H new ATOM 0 HG13 VAL A 35 -7.899 -1.273 -16.454 1.00 51.42 H new ATOM 0 HG21 VAL A 35 -10.852 -1.712 -15.679 1.00 21.55 H new ATOM 0 HG22 VAL A 35 -9.797 -0.508 -14.900 1.00 21.55 H new ATOM 0 HG23 VAL A 35 -11.339 -0.001 -15.630 1.00 21.55 H new ATOM 563 N TRP A 36 -9.308 1.515 -19.498 1.00 71.53 N ATOM 564 CA TRP A 36 -8.736 1.727 -20.824 1.00 30.23 C ATOM 565 C TRP A 36 -7.745 2.886 -20.810 1.00 4.23 C ATOM 566 O TRP A 36 -6.603 2.743 -21.243 1.00 1.33 O ATOM 567 CB TRP A 36 -9.845 2.001 -21.842 1.00 53.33 C ATOM 568 CG TRP A 36 -9.339 2.165 -23.242 1.00 74.20 C ATOM 569 CD1 TRP A 36 -8.851 1.185 -24.058 1.00 54.22 C ATOM 570 CD2 TRP A 36 -9.268 3.383 -23.990 1.00 30.54 C ATOM 571 NE1 TRP A 36 -8.481 1.720 -25.269 1.00 0.53 N ATOM 572 CE2 TRP A 36 -8.728 3.068 -25.252 1.00 64.24 C ATOM 573 CE3 TRP A 36 -9.611 4.711 -23.718 1.00 62.33 C ATOM 574 CZ2 TRP A 36 -8.523 4.030 -26.237 1.00 10.23 C ATOM 575 CZ3 TRP A 36 -9.406 5.665 -24.696 1.00 20.13 C ATOM 576 CH2 TRP A 36 -8.867 5.322 -25.943 1.00 21.22 C ATOM 0 H TRP A 36 -10.320 1.629 -19.451 1.00 71.53 H new ATOM 0 HA TRP A 36 -8.203 0.821 -21.112 1.00 30.23 H new ATOM 0 HB2 TRP A 36 -10.562 1.181 -21.816 1.00 53.33 H new ATOM 0 HB3 TRP A 36 -10.382 2.903 -21.549 1.00 53.33 H new ATOM 0 HD1 TRP A 36 -8.768 0.142 -23.791 1.00 54.22 H new ATOM 0 HE1 TRP A 36 -8.087 1.199 -26.052 1.00 0.53 H new ATOM 0 HE3 TRP A 36 -10.029 4.986 -22.761 1.00 62.33 H new ATOM 0 HZ2 TRP A 36 -8.108 3.767 -27.198 1.00 10.23 H new ATOM 0 HZ3 TRP A 36 -9.666 6.694 -24.496 1.00 20.13 H new ATOM 0 HH2 TRP A 36 -8.720 6.092 -26.686 1.00 21.22 H new ATOM 587 N ALA A 37 -8.191 4.034 -20.309 1.00 32.14 N ATOM 588 CA ALA A 37 -7.342 5.217 -20.237 1.00 11.45 C ATOM 589 C ALA A 37 -6.016 4.899 -19.556 1.00 33.24 C ATOM 590 O ALA A 37 -4.951 5.289 -20.036 1.00 3.22 O ATOM 591 CB ALA A 37 -8.061 6.338 -19.501 1.00 15.03 C ATOM 0 H ALA A 37 -9.135 4.170 -19.947 1.00 32.14 H new ATOM 0 HA ALA A 37 -7.128 5.544 -21.255 1.00 11.45 H new ATOM 0 HB1 ALA A 37 -7.416 7.215 -19.454 1.00 15.03 H new ATOM 0 HB2 ALA A 37 -8.979 6.591 -20.031 1.00 15.03 H new ATOM 0 HB3 ALA A 37 -8.304 6.012 -18.490 1.00 15.03 H new ATOM 597 N SER A 38 -6.086 4.190 -18.433 1.00 62.30 N ATOM 598 CA SER A 38 -4.890 3.824 -17.683 1.00 22.42 C ATOM 599 C SER A 38 -3.866 3.151 -18.591 1.00 73.22 C ATOM 600 O SER A 38 -2.677 3.469 -18.546 1.00 22.43 O ATOM 601 CB SER A 38 -5.254 2.893 -16.527 1.00 51.53 C ATOM 602 OG SER A 38 -4.253 1.910 -16.330 1.00 53.22 O ATOM 0 H SER A 38 -6.959 3.858 -18.023 1.00 62.30 H new ATOM 0 HA SER A 38 -4.449 4.736 -17.280 1.00 22.42 H new ATOM 0 HB2 SER A 38 -5.382 3.474 -15.614 1.00 51.53 H new ATOM 0 HB3 SER A 38 -6.209 2.409 -16.733 1.00 51.53 H new ATOM 0 HG SER A 38 -4.508 1.328 -15.584 1.00 53.22 H new ATOM 608 N ARG A 39 -4.334 2.218 -19.413 1.00 23.23 N ATOM 609 CA ARG A 39 -3.459 1.499 -20.331 1.00 63.32 C ATOM 610 C ARG A 39 -2.843 2.449 -21.353 1.00 60.23 C ATOM 611 O ARG A 39 -1.622 2.559 -21.455 1.00 72.35 O ATOM 612 CB ARG A 39 -4.237 0.394 -21.050 1.00 54.11 C ATOM 613 CG ARG A 39 -3.785 -1.009 -20.677 1.00 23.11 C ATOM 614 CD ARG A 39 -2.491 -1.382 -21.381 1.00 75.34 C ATOM 615 NE ARG A 39 -1.608 -2.167 -20.523 1.00 51.33 N ATOM 616 CZ ARG A 39 -0.341 -2.436 -20.820 1.00 42.24 C ATOM 617 NH1 ARG A 39 0.189 -1.984 -21.948 1.00 51.11 N1+ ATOM 618 NH2 ARG A 39 0.398 -3.157 -19.987 1.00 51.15 N ATOM 0 H ARG A 39 -5.315 1.942 -19.462 1.00 23.23 H new ATOM 0 HA ARG A 39 -2.655 1.049 -19.749 1.00 63.32 H new ATOM 0 HB2 ARG A 39 -5.297 0.499 -20.820 1.00 54.11 H new ATOM 0 HB3 ARG A 39 -4.130 0.527 -22.127 1.00 54.11 H new ATOM 0 HG2 ARG A 39 -3.645 -1.073 -19.598 1.00 23.11 H new ATOM 0 HG3 ARG A 39 -4.563 -1.725 -20.940 1.00 23.11 H new ATOM 0 HD2 ARG A 39 -2.720 -1.950 -22.283 1.00 75.34 H new ATOM 0 HD3 ARG A 39 -1.976 -0.475 -21.698 1.00 75.34 H new ATOM 0 HE ARG A 39 -1.985 -2.529 -19.647 1.00 51.33 H new ATOM 0 HH11 ARG A 39 -0.376 -1.428 -22.590 1.00 51.11 H new ATOM 0 HH12 ARG A 39 1.162 -2.192 -22.174 1.00 51.11 H new ATOM 0 HH21 ARG A 39 -0.006 -3.505 -19.118 1.00 51.15 H new ATOM 0 HH22 ARG A 39 1.370 -3.363 -20.216 1.00 51.15 H new ATOM 632 N GLU A 40 -3.698 3.133 -22.108 1.00 75.32 N ATOM 633 CA GLU A 40 -3.236 4.072 -23.123 1.00 30.53 C ATOM 634 C GLU A 40 -2.286 5.103 -22.519 1.00 71.20 C ATOM 635 O GLU A 40 -1.395 5.617 -23.198 1.00 2.55 O ATOM 636 CB GLU A 40 -4.426 4.781 -23.773 1.00 64.32 C ATOM 637 CG GLU A 40 -4.254 5.015 -25.265 1.00 42.11 C ATOM 638 CD GLU A 40 -4.052 3.727 -26.038 1.00 44.00 C ATOM 639 OE1 GLU A 40 -5.013 2.936 -26.138 1.00 1.32 O1- ATOM 640 OE2 GLU A 40 -2.932 3.510 -26.545 1.00 71.40 O ATOM 0 H GLU A 40 -4.712 3.054 -22.036 1.00 75.32 H new ATOM 0 HA GLU A 40 -2.697 3.508 -23.884 1.00 30.53 H new ATOM 0 HB2 GLU A 40 -5.326 4.188 -23.608 1.00 64.32 H new ATOM 0 HB3 GLU A 40 -4.581 5.740 -23.279 1.00 64.32 H new ATOM 0 HG2 GLU A 40 -5.132 5.532 -25.651 1.00 42.11 H new ATOM 0 HG3 GLU A 40 -3.399 5.671 -25.430 1.00 42.11 H new ATOM 647 N LEU A 41 -2.481 5.400 -21.239 1.00 3.05 N ATOM 648 CA LEU A 41 -1.643 6.369 -20.542 1.00 54.12 C ATOM 649 C LEU A 41 -0.207 5.867 -20.430 1.00 63.24 C ATOM 650 O LEU A 41 0.729 6.528 -20.879 1.00 23.11 O ATOM 651 CB LEU A 41 -2.206 6.651 -19.148 1.00 1.42 C ATOM 652 CG LEU A 41 -3.140 7.855 -19.033 1.00 13.21 C ATOM 653 CD1 LEU A 41 -3.669 7.986 -17.613 1.00 2.43 C ATOM 654 CD2 LEU A 41 -2.423 9.130 -19.456 1.00 54.44 C ATOM 0 H LEU A 41 -3.212 4.984 -20.663 1.00 3.05 H new ATOM 0 HA LEU A 41 -1.642 7.293 -21.121 1.00 54.12 H new ATOM 0 HB2 LEU A 41 -2.744 5.766 -18.809 1.00 1.42 H new ATOM 0 HB3 LEU A 41 -1.371 6.798 -18.463 1.00 1.42 H new ATOM 0 HG LEU A 41 -3.986 7.699 -19.702 1.00 13.21 H new ATOM 0 HD11 LEU A 41 -4.332 8.849 -17.550 1.00 2.43 H new ATOM 0 HD12 LEU A 41 -4.220 7.084 -17.345 1.00 2.43 H new ATOM 0 HD13 LEU A 41 -2.834 8.119 -16.925 1.00 2.43 H new ATOM 0 HD21 LEU A 41 -3.104 9.977 -19.368 1.00 54.44 H new ATOM 0 HD22 LEU A 41 -1.558 9.291 -18.813 1.00 54.44 H new ATOM 0 HD23 LEU A 41 -2.094 9.036 -20.491 1.00 54.44 H new ATOM 666 N GLU A 42 -0.042 4.691 -19.832 1.00 52.15 N ATOM 667 CA GLU A 42 1.281 4.099 -19.664 1.00 14.12 C ATOM 668 C GLU A 42 2.008 4.001 -21.002 1.00 25.30 C ATOM 669 O GLU A 42 3.237 4.022 -21.056 1.00 60.23 O ATOM 670 CB GLU A 42 1.166 2.712 -19.030 1.00 72.30 C ATOM 671 CG GLU A 42 1.847 2.603 -17.676 1.00 5.13 C ATOM 672 CD GLU A 42 1.299 1.464 -16.838 1.00 74.10 C ATOM 673 OE1 GLU A 42 0.156 1.035 -17.096 1.00 42.03 O ATOM 674 OE2 GLU A 42 2.015 1.002 -15.924 1.00 21.25 O1- ATOM 0 H GLU A 42 -0.806 4.130 -19.456 1.00 52.15 H new ATOM 0 HA GLU A 42 1.859 4.746 -19.004 1.00 14.12 H new ATOM 0 HB2 GLU A 42 0.112 2.459 -18.918 1.00 72.30 H new ATOM 0 HB3 GLU A 42 1.600 1.976 -19.706 1.00 72.30 H new ATOM 0 HG2 GLU A 42 2.918 2.459 -17.822 1.00 5.13 H new ATOM 0 HG3 GLU A 42 1.722 3.541 -17.134 1.00 5.13 H new ATOM 681 N ARG A 43 1.237 3.894 -22.081 1.00 44.53 N ATOM 682 CA ARG A 43 1.806 3.789 -23.418 1.00 23.23 C ATOM 683 C ARG A 43 2.510 5.085 -23.812 1.00 12.33 C ATOM 684 O ARG A 43 3.474 5.072 -24.578 1.00 41.24 O ATOM 685 CB ARG A 43 0.712 3.462 -24.437 1.00 71.32 C ATOM 686 CG ARG A 43 0.952 2.165 -25.193 1.00 32.53 C ATOM 687 CD ARG A 43 1.537 2.426 -26.573 1.00 11.01 C ATOM 688 NE ARG A 43 0.566 2.175 -27.635 1.00 41.51 N ATOM 689 CZ ARG A 43 0.865 2.215 -28.928 1.00 42.23 C ATOM 690 NH1 ARG A 43 2.101 2.494 -29.318 1.00 50.00 N1+ ATOM 691 NH2 ARG A 43 -0.074 1.973 -29.835 1.00 31.33 N ATOM 0 H ARG A 43 0.217 3.878 -22.054 1.00 44.53 H new ATOM 0 HA ARG A 43 2.540 2.983 -23.411 1.00 23.23 H new ATOM 0 HB2 ARG A 43 -0.246 3.400 -23.921 1.00 71.32 H new ATOM 0 HB3 ARG A 43 0.637 4.281 -25.152 1.00 71.32 H new ATOM 0 HG2 ARG A 43 1.630 1.530 -24.623 1.00 32.53 H new ATOM 0 HG3 ARG A 43 0.013 1.621 -25.291 1.00 32.53 H new ATOM 0 HD2 ARG A 43 1.880 3.459 -26.632 1.00 11.01 H new ATOM 0 HD3 ARG A 43 2.410 1.791 -26.723 1.00 11.01 H new ATOM 0 HE ARG A 43 -0.394 1.957 -27.369 1.00 41.51 H new ATOM 0 HH11 ARG A 43 2.825 2.679 -28.624 1.00 50.00 H new ATOM 0 HH12 ARG A 43 2.328 2.524 -30.312 1.00 50.00 H new ATOM 0 HH21 ARG A 43 -1.026 1.756 -29.539 1.00 31.33 H new ATOM 0 HH22 ARG A 43 0.156 2.004 -30.828 1.00 31.33 H new ATOM 705 N PHE A 44 2.023 6.202 -23.282 1.00 13.21 N ATOM 706 CA PHE A 44 2.604 7.506 -23.578 1.00 32.01 C ATOM 707 C PHE A 44 3.600 7.916 -22.497 1.00 0.14 C ATOM 708 O PHE A 44 3.828 9.103 -22.266 1.00 22.32 O ATOM 709 CB PHE A 44 1.504 8.562 -23.702 1.00 31.33 C ATOM 710 CG PHE A 44 0.562 8.314 -24.846 1.00 3.42 C ATOM 711 CD1 PHE A 44 1.022 8.306 -26.152 1.00 72.03 C ATOM 712 CD2 PHE A 44 -0.786 8.090 -24.612 1.00 22.14 C ATOM 713 CE1 PHE A 44 0.158 8.077 -27.205 1.00 21.42 C ATOM 714 CE2 PHE A 44 -1.655 7.861 -25.662 1.00 33.25 C ATOM 715 CZ PHE A 44 -1.184 7.856 -26.960 1.00 73.22 C ATOM 0 H PHE A 44 1.227 6.230 -22.645 1.00 13.21 H new ATOM 0 HA PHE A 44 3.135 7.432 -24.527 1.00 32.01 H new ATOM 0 HB2 PHE A 44 0.935 8.593 -22.773 1.00 31.33 H new ATOM 0 HB3 PHE A 44 1.964 9.542 -23.827 1.00 31.33 H new ATOM 0 HD1 PHE A 44 2.069 8.481 -26.350 1.00 72.03 H new ATOM 0 HD2 PHE A 44 -1.161 8.094 -23.599 1.00 22.14 H new ATOM 0 HE1 PHE A 44 0.531 8.071 -28.219 1.00 21.42 H new ATOM 0 HE2 PHE A 44 -2.703 7.686 -25.467 1.00 33.25 H new ATOM 0 HZ PHE A 44 -1.863 7.680 -27.782 1.00 73.22 H new ATOM 725 N ALA A 45 4.188 6.924 -21.836 1.00 21.43 N ATOM 726 CA ALA A 45 5.160 7.182 -20.780 1.00 62.22 C ATOM 727 C ALA A 45 4.515 7.912 -19.607 1.00 54.13 C ATOM 728 O ALA A 45 5.199 8.563 -18.816 1.00 3.20 O ATOM 729 CB ALA A 45 6.332 7.984 -21.325 1.00 13.32 C ATOM 0 H ALA A 45 4.009 5.936 -22.013 1.00 21.43 H new ATOM 0 HA ALA A 45 5.529 6.223 -20.418 1.00 62.22 H new ATOM 0 HB1 ALA A 45 7.049 8.169 -20.525 1.00 13.32 H new ATOM 0 HB2 ALA A 45 6.816 7.423 -22.124 1.00 13.32 H new ATOM 0 HB3 ALA A 45 5.971 8.935 -21.716 1.00 13.32 H new ATOM 735 N VAL A 46 3.195 7.802 -19.501 1.00 42.42 N ATOM 736 CA VAL A 46 2.457 8.452 -18.423 1.00 61.02 C ATOM 737 C VAL A 46 1.766 7.425 -17.533 1.00 20.23 C ATOM 738 O VAL A 46 0.971 6.615 -18.005 1.00 45.23 O ATOM 739 CB VAL A 46 1.403 9.430 -18.975 1.00 50.15 C ATOM 740 CG1 VAL A 46 0.613 10.061 -17.839 1.00 15.23 C ATOM 741 CG2 VAL A 46 2.064 10.497 -19.834 1.00 74.14 C ATOM 0 H VAL A 46 2.614 7.269 -20.148 1.00 42.42 H new ATOM 0 HA VAL A 46 3.184 9.009 -17.832 1.00 61.02 H new ATOM 0 HB VAL A 46 0.708 8.872 -19.602 1.00 50.15 H new ATOM 0 HG11 VAL A 46 -0.127 10.749 -18.248 1.00 15.23 H new ATOM 0 HG12 VAL A 46 0.107 9.281 -17.270 1.00 15.23 H new ATOM 0 HG13 VAL A 46 1.292 10.606 -17.183 1.00 15.23 H new ATOM 0 HG21 VAL A 46 1.304 11.179 -20.216 1.00 74.14 H new ATOM 0 HG22 VAL A 46 2.783 11.054 -19.233 1.00 74.14 H new ATOM 0 HG23 VAL A 46 2.579 10.024 -20.670 1.00 74.14 H new ATOM 751 N ASN A 47 2.075 7.467 -16.241 1.00 61.31 N ATOM 752 CA ASN A 47 1.484 6.540 -15.283 1.00 30.12 C ATOM 753 C ASN A 47 -0.025 6.745 -15.188 1.00 31.50 C ATOM 754 O ASN A 47 -0.532 7.863 -15.279 1.00 21.25 O ATOM 755 CB ASN A 47 2.122 6.722 -13.905 1.00 0.32 C ATOM 756 CG ASN A 47 3.300 5.793 -13.685 1.00 63.02 C ATOM 757 OD1 ASN A 47 4.385 6.010 -14.224 1.00 23.15 O ATOM 758 ND2 ASN A 47 3.090 4.750 -12.890 1.00 21.11 N ATOM 0 H ASN A 47 2.731 8.133 -15.833 1.00 61.31 H new ATOM 0 HA ASN A 47 1.674 5.525 -15.633 1.00 30.12 H new ATOM 0 HB2 ASN A 47 2.452 7.755 -13.794 1.00 0.32 H new ATOM 0 HB3 ASN A 47 1.372 6.542 -13.134 1.00 0.32 H new ATOM 0 HD21 ASN A 47 3.845 4.090 -12.705 1.00 21.11 H new ATOM 0 HD22 ASN A 47 2.174 4.610 -12.464 1.00 21.11 H new ATOM 765 N PRO A 48 -0.762 5.640 -15.002 1.00 73.33 N ATOM 766 CA PRO A 48 -2.223 5.672 -14.890 1.00 15.10 C ATOM 767 C PRO A 48 -2.691 6.322 -13.592 1.00 73.44 C ATOM 768 O PRO A 48 -3.881 6.572 -13.405 1.00 42.13 O ATOM 769 CB PRO A 48 -2.614 4.191 -14.918 1.00 35.44 C ATOM 770 CG PRO A 48 -1.408 3.472 -14.418 1.00 4.54 C ATOM 771 CD PRO A 48 -0.225 4.273 -14.884 1.00 20.35 C ATOM 0 HA PRO A 48 -2.680 6.263 -15.684 1.00 15.10 H new ATOM 0 HB2 PRO A 48 -3.481 3.998 -14.286 1.00 35.44 H new ATOM 0 HB3 PRO A 48 -2.877 3.870 -15.926 1.00 35.44 H new ATOM 0 HG2 PRO A 48 -1.423 3.394 -13.331 1.00 4.54 H new ATOM 0 HG3 PRO A 48 -1.370 2.455 -14.810 1.00 4.54 H new ATOM 0 HD2 PRO A 48 0.598 4.225 -14.171 1.00 20.35 H new ATOM 0 HD3 PRO A 48 0.157 3.908 -15.837 1.00 20.35 H new ATOM 779 N GLY A 49 -1.745 6.593 -12.697 1.00 3.43 N ATOM 780 CA GLY A 49 -2.081 7.213 -11.428 1.00 44.43 C ATOM 781 C GLY A 49 -2.239 8.715 -11.540 1.00 21.23 C ATOM 782 O GLY A 49 -2.335 9.414 -10.530 1.00 33.41 O ATOM 0 H GLY A 49 -0.753 6.394 -12.828 1.00 3.43 H new ATOM 0 HA2 GLY A 49 -3.008 6.781 -11.050 1.00 44.43 H new ATOM 0 HA3 GLY A 49 -1.303 6.986 -10.699 1.00 44.43 H new ATOM 786 N LEU A 50 -2.264 9.216 -12.770 1.00 60.11 N ATOM 787 CA LEU A 50 -2.408 10.648 -13.011 1.00 42.24 C ATOM 788 C LEU A 50 -3.846 10.993 -13.389 1.00 35.05 C ATOM 789 O LEU A 50 -4.099 11.996 -14.058 1.00 33.01 O ATOM 790 CB LEU A 50 -1.455 11.097 -14.120 1.00 2.33 C ATOM 791 CG LEU A 50 0.034 10.861 -13.862 1.00 4.34 C ATOM 792 CD1 LEU A 50 0.871 11.466 -14.977 1.00 63.42 C ATOM 793 CD2 LEU A 50 0.439 11.439 -12.514 1.00 14.44 C ATOM 0 H LEU A 50 -2.186 8.652 -13.616 1.00 60.11 H new ATOM 0 HA LEU A 50 -2.157 11.174 -12.090 1.00 42.24 H new ATOM 0 HB2 LEU A 50 -1.730 10.580 -15.039 1.00 2.33 H new ATOM 0 HB3 LEU A 50 -1.609 12.162 -14.295 1.00 2.33 H new ATOM 0 HG LEU A 50 0.215 9.786 -13.843 1.00 4.34 H new ATOM 0 HD11 LEU A 50 1.928 11.288 -14.776 1.00 63.42 H new ATOM 0 HD12 LEU A 50 0.600 11.005 -15.927 1.00 63.42 H new ATOM 0 HD13 LEU A 50 0.687 12.539 -15.029 1.00 63.42 H new ATOM 0 HD21 LEU A 50 1.501 11.262 -12.347 1.00 14.44 H new ATOM 0 HD22 LEU A 50 0.244 12.511 -12.504 1.00 14.44 H new ATOM 0 HD23 LEU A 50 -0.138 10.958 -11.724 1.00 14.44 H new ATOM 805 N LEU A 51 -4.783 10.159 -12.954 1.00 73.31 N ATOM 806 CA LEU A 51 -6.196 10.377 -13.245 1.00 53.23 C ATOM 807 C LEU A 51 -6.985 10.616 -11.962 1.00 51.32 C ATOM 808 O LEU A 51 -8.025 11.272 -11.975 1.00 12.33 O ATOM 809 CB LEU A 51 -6.774 9.177 -13.998 1.00 54.42 C ATOM 810 CG LEU A 51 -5.990 8.714 -15.226 1.00 11.43 C ATOM 811 CD1 LEU A 51 -6.238 7.237 -15.492 1.00 13.15 C ATOM 812 CD2 LEU A 51 -6.365 9.548 -16.442 1.00 63.13 C ATOM 0 H LEU A 51 -4.591 9.325 -12.399 1.00 73.31 H new ATOM 0 HA LEU A 51 -6.280 11.265 -13.872 1.00 53.23 H new ATOM 0 HB2 LEU A 51 -6.850 8.340 -13.304 1.00 54.42 H new ATOM 0 HB3 LEU A 51 -7.788 9.424 -14.311 1.00 54.42 H new ATOM 0 HG LEU A 51 -4.927 8.852 -15.029 1.00 11.43 H new ATOM 0 HD11 LEU A 51 -5.672 6.925 -16.370 1.00 13.15 H new ATOM 0 HD12 LEU A 51 -5.919 6.653 -14.628 1.00 13.15 H new ATOM 0 HD13 LEU A 51 -7.301 7.073 -15.669 1.00 13.15 H new ATOM 0 HD21 LEU A 51 -5.798 9.205 -17.307 1.00 63.13 H new ATOM 0 HD22 LEU A 51 -7.431 9.441 -16.642 1.00 63.13 H new ATOM 0 HD23 LEU A 51 -6.135 10.596 -16.249 1.00 63.13 H new ATOM 824 N GLU A 52 -6.482 10.078 -10.855 1.00 33.41 N ATOM 825 CA GLU A 52 -7.139 10.234 -9.563 1.00 2.22 C ATOM 826 C GLU A 52 -6.898 11.630 -8.995 1.00 51.21 C ATOM 827 O GLU A 52 -7.455 11.996 -7.959 1.00 54.10 O ATOM 828 CB GLU A 52 -6.637 9.177 -8.579 1.00 53.34 C ATOM 829 CG GLU A 52 -5.205 9.401 -8.124 1.00 53.14 C ATOM 830 CD GLU A 52 -4.606 8.177 -7.455 1.00 30.12 C ATOM 831 OE1 GLU A 52 -4.749 7.068 -8.013 1.00 11.12 O ATOM 832 OE2 GLU A 52 -3.997 8.328 -6.376 1.00 12.15 O1- ATOM 0 H GLU A 52 -5.622 9.530 -10.827 1.00 33.41 H new ATOM 0 HA GLU A 52 -8.211 10.101 -9.711 1.00 2.22 H new ATOM 0 HB2 GLU A 52 -7.289 9.167 -7.706 1.00 53.34 H new ATOM 0 HB3 GLU A 52 -6.712 8.194 -9.045 1.00 53.34 H new ATOM 0 HG2 GLU A 52 -4.594 9.676 -8.983 1.00 53.14 H new ATOM 0 HG3 GLU A 52 -5.176 10.241 -7.430 1.00 53.14 H new ATOM 839 N THR A 53 -6.064 12.406 -9.679 1.00 61.11 N ATOM 840 CA THR A 53 -5.747 13.760 -9.244 1.00 40.13 C ATOM 841 C THR A 53 -6.111 14.781 -10.315 1.00 51.21 C ATOM 842 O THR A 53 -5.756 14.623 -11.483 1.00 4.30 O ATOM 843 CB THR A 53 -4.252 13.904 -8.900 1.00 50.44 C ATOM 844 OG1 THR A 53 -3.471 13.905 -10.100 1.00 4.20 O ATOM 845 CG2 THR A 53 -3.795 12.772 -7.992 1.00 72.25 C ATOM 0 H THR A 53 -5.595 12.119 -10.538 1.00 61.11 H new ATOM 0 HA THR A 53 -6.338 13.951 -8.348 1.00 40.13 H new ATOM 0 HB THR A 53 -4.111 14.849 -8.375 1.00 50.44 H new ATOM 0 HG1 THR A 53 -2.522 13.999 -9.873 1.00 4.20 H new ATOM 0 HG21 THR A 53 -2.737 12.894 -7.762 1.00 72.25 H new ATOM 0 HG22 THR A 53 -4.372 12.792 -7.067 1.00 72.25 H new ATOM 0 HG23 THR A 53 -3.949 11.817 -8.495 1.00 72.25 H new ATOM 853 N SER A 54 -6.819 15.831 -9.908 1.00 64.14 N ATOM 854 CA SER A 54 -7.234 16.877 -10.835 1.00 31.34 C ATOM 855 C SER A 54 -6.030 17.461 -11.568 1.00 31.22 C ATOM 856 O SER A 54 -6.156 17.968 -12.682 1.00 22.54 O ATOM 857 CB SER A 54 -7.976 17.986 -10.086 1.00 11.31 C ATOM 858 OG SER A 54 -7.913 17.784 -8.685 1.00 13.32 O ATOM 0 H SER A 54 -7.116 15.979 -8.944 1.00 64.14 H new ATOM 0 HA SER A 54 -7.905 16.432 -11.570 1.00 31.34 H new ATOM 0 HB2 SER A 54 -7.541 18.953 -10.337 1.00 11.31 H new ATOM 0 HB3 SER A 54 -9.017 18.012 -10.407 1.00 11.31 H new ATOM 0 HG SER A 54 -8.393 18.506 -8.228 1.00 13.32 H new ATOM 864 N GLU A 55 -4.865 17.384 -10.935 1.00 34.24 N ATOM 865 CA GLU A 55 -3.638 17.906 -11.527 1.00 12.51 C ATOM 866 C GLU A 55 -3.122 16.974 -12.620 1.00 24.11 C ATOM 867 O GLU A 55 -2.752 17.418 -13.706 1.00 2.53 O ATOM 868 CB GLU A 55 -2.566 18.092 -10.452 1.00 73.22 C ATOM 869 CG GLU A 55 -1.827 19.417 -10.551 1.00 52.41 C ATOM 870 CD GLU A 55 -2.657 20.585 -10.055 1.00 23.13 C ATOM 871 OE1 GLU A 55 -3.896 20.448 -9.990 1.00 5.00 O1- ATOM 872 OE2 GLU A 55 -2.066 21.637 -9.732 1.00 53.13 O ATOM 0 H GLU A 55 -4.744 16.966 -10.013 1.00 34.24 H new ATOM 0 HA GLU A 55 -3.864 18.873 -11.975 1.00 12.51 H new ATOM 0 HB2 GLU A 55 -3.032 18.018 -9.469 1.00 73.22 H new ATOM 0 HB3 GLU A 55 -1.845 17.277 -10.525 1.00 73.22 H new ATOM 0 HG2 GLU A 55 -0.905 19.359 -9.972 1.00 52.41 H new ATOM 0 HG3 GLU A 55 -1.541 19.593 -11.588 1.00 52.41 H new ATOM 879 N GLY A 56 -3.101 15.679 -12.323 1.00 45.42 N ATOM 880 CA GLY A 56 -2.629 14.704 -13.290 1.00 12.22 C ATOM 881 C GLY A 56 -3.360 14.799 -14.614 1.00 22.15 C ATOM 882 O GLY A 56 -2.734 14.863 -15.673 1.00 41.21 O ATOM 0 H GLY A 56 -3.402 15.287 -11.431 1.00 45.42 H new ATOM 0 HA2 GLY A 56 -1.562 14.850 -13.457 1.00 12.22 H new ATOM 0 HA3 GLY A 56 -2.754 13.701 -12.881 1.00 12.22 H new ATOM 886 N CYS A 57 -4.687 14.808 -14.556 1.00 10.10 N ATOM 887 CA CYS A 57 -5.505 14.893 -15.760 1.00 75.44 C ATOM 888 C CYS A 57 -5.167 16.148 -16.559 1.00 10.32 C ATOM 889 O CYS A 57 -5.136 16.124 -17.789 1.00 13.35 O ATOM 890 CB CYS A 57 -6.989 14.890 -15.396 1.00 42.44 C ATOM 891 SG CYS A 57 -7.721 13.239 -15.295 1.00 50.35 S ATOM 0 H CYS A 57 -5.219 14.757 -13.687 1.00 10.10 H new ATOM 0 HA CYS A 57 -5.289 14.021 -16.378 1.00 75.44 H new ATOM 0 HB2 CYS A 57 -7.118 15.392 -14.437 1.00 42.44 H new ATOM 0 HB3 CYS A 57 -7.535 15.473 -16.137 1.00 42.44 H new ATOM 0 HG CYS A 57 -8.978 13.340 -14.979 1.00 50.35 H new ATOM 897 N ARG A 58 -4.917 17.245 -15.849 1.00 25.00 N ATOM 898 CA ARG A 58 -4.586 18.510 -16.491 1.00 35.41 C ATOM 899 C ARG A 58 -3.425 18.338 -17.467 1.00 42.52 C ATOM 900 O ARG A 58 -3.500 18.769 -18.617 1.00 1.44 O ATOM 901 CB ARG A 58 -4.229 19.563 -15.439 1.00 42.03 C ATOM 902 CG ARG A 58 -4.535 20.987 -15.873 1.00 43.35 C ATOM 903 CD ARG A 58 -4.531 21.942 -14.690 1.00 0.10 C ATOM 904 NE ARG A 58 -3.332 22.777 -14.665 1.00 43.33 N ATOM 905 CZ ARG A 58 -3.035 23.605 -13.670 1.00 63.23 C ATOM 906 NH1 ARG A 58 -3.844 23.709 -12.625 1.00 72.34 N1+ ATOM 907 NH2 ARG A 58 -1.926 24.331 -13.720 1.00 74.50 N ATOM 0 H ARG A 58 -4.938 17.282 -14.830 1.00 25.00 H new ATOM 0 HA ARG A 58 -5.461 18.845 -17.049 1.00 35.41 H new ATOM 0 HB2 ARG A 58 -4.776 19.347 -14.521 1.00 42.03 H new ATOM 0 HB3 ARG A 58 -3.168 19.484 -15.204 1.00 42.03 H new ATOM 0 HG2 ARG A 58 -3.797 21.312 -16.607 1.00 43.35 H new ATOM 0 HG3 ARG A 58 -5.508 21.018 -16.364 1.00 43.35 H new ATOM 0 HD2 ARG A 58 -5.415 22.578 -14.735 1.00 0.10 H new ATOM 0 HD3 ARG A 58 -4.595 21.372 -13.763 1.00 0.10 H new ATOM 0 HE ARG A 58 -2.688 22.721 -15.454 1.00 43.33 H new ATOM 0 HH11 ARG A 58 -4.698 23.152 -12.583 1.00 72.34 H new ATOM 0 HH12 ARG A 58 -3.613 24.346 -11.863 1.00 72.34 H new ATOM 0 HH21 ARG A 58 -1.301 24.253 -14.523 1.00 74.50 H new ATOM 0 HH22 ARG A 58 -1.698 24.967 -12.956 1.00 74.50 H new ATOM 921 N GLN A 59 -2.355 17.705 -17.000 1.00 11.53 N ATOM 922 CA GLN A 59 -1.178 17.476 -17.831 1.00 4.24 C ATOM 923 C GLN A 59 -1.511 16.558 -19.003 1.00 15.41 C ATOM 924 O GLN A 59 -0.929 16.677 -20.081 1.00 15.55 O ATOM 925 CB GLN A 59 -0.048 16.871 -16.996 1.00 61.21 C ATOM 926 CG GLN A 59 1.149 17.793 -16.835 1.00 14.01 C ATOM 927 CD GLN A 59 2.180 17.609 -17.930 1.00 30.31 C ATOM 928 OE1 GLN A 59 1.977 16.835 -18.867 1.00 10.52 O ATOM 929 NE2 GLN A 59 3.296 18.320 -17.819 1.00 62.43 N ATOM 0 H GLN A 59 -2.278 17.341 -16.050 1.00 11.53 H new ATOM 0 HA GLN A 59 -0.851 18.437 -18.228 1.00 4.24 H new ATOM 0 HB2 GLN A 59 -0.434 16.614 -16.009 1.00 61.21 H new ATOM 0 HB3 GLN A 59 0.280 15.942 -17.462 1.00 61.21 H new ATOM 0 HG2 GLN A 59 0.808 18.828 -16.833 1.00 14.01 H new ATOM 0 HG3 GLN A 59 1.616 17.610 -15.867 1.00 14.01 H new ATOM 0 HE21 GLN A 59 3.423 18.949 -17.026 1.00 62.43 H new ATOM 0 HE22 GLN A 59 4.026 18.237 -18.526 1.00 62.43 H new ATOM 938 N ILE A 60 -2.448 15.643 -18.783 1.00 51.54 N ATOM 939 CA ILE A 60 -2.857 14.705 -19.821 1.00 43.13 C ATOM 940 C ILE A 60 -3.659 15.408 -20.912 1.00 62.03 C ATOM 941 O ILE A 60 -3.516 15.103 -22.097 1.00 61.11 O ATOM 942 CB ILE A 60 -3.700 13.554 -19.240 1.00 31.52 C ATOM 943 CG1 ILE A 60 -2.914 12.815 -18.156 1.00 52.54 C ATOM 944 CG2 ILE A 60 -4.119 12.596 -20.345 1.00 42.52 C ATOM 945 CD1 ILE A 60 -3.778 11.944 -17.271 1.00 42.01 C ATOM 0 H ILE A 60 -2.938 15.531 -17.896 1.00 51.54 H new ATOM 0 HA ILE A 60 -1.944 14.294 -20.252 1.00 43.13 H new ATOM 0 HB ILE A 60 -4.599 13.973 -18.788 1.00 31.52 H new ATOM 0 HG12 ILE A 60 -2.152 12.195 -18.629 1.00 52.54 H new ATOM 0 HG13 ILE A 60 -2.392 13.544 -17.536 1.00 52.54 H new ATOM 0 HG21 ILE A 60 -4.714 11.788 -19.920 1.00 42.52 H new ATOM 0 HG22 ILE A 60 -4.712 13.132 -21.086 1.00 42.52 H new ATOM 0 HG23 ILE A 60 -3.231 12.181 -20.822 1.00 42.52 H new ATOM 0 HD11 ILE A 60 -3.154 11.451 -16.526 1.00 42.01 H new ATOM 0 HD12 ILE A 60 -4.523 12.561 -16.769 1.00 42.01 H new ATOM 0 HD13 ILE A 60 -4.280 11.192 -17.879 1.00 42.01 H new ATOM 957 N LEU A 61 -4.502 16.351 -20.504 1.00 73.14 N ATOM 958 CA LEU A 61 -5.326 17.099 -21.447 1.00 11.43 C ATOM 959 C LEU A 61 -4.502 18.165 -22.163 1.00 42.21 C ATOM 960 O LEU A 61 -4.706 18.429 -23.348 1.00 43.44 O ATOM 961 CB LEU A 61 -6.503 17.751 -20.719 1.00 53.20 C ATOM 962 CG LEU A 61 -7.567 16.798 -20.175 1.00 1.41 C ATOM 963 CD1 LEU A 61 -8.457 17.509 -19.167 1.00 32.22 C ATOM 964 CD2 LEU A 61 -8.399 16.223 -21.312 1.00 2.21 C ATOM 0 H LEU A 61 -4.633 16.615 -19.528 1.00 73.14 H new ATOM 0 HA LEU A 61 -5.709 16.401 -22.192 1.00 11.43 H new ATOM 0 HB2 LEU A 61 -6.111 18.338 -19.888 1.00 53.20 H new ATOM 0 HB3 LEU A 61 -6.985 18.450 -21.403 1.00 53.20 H new ATOM 0 HG LEU A 61 -7.064 15.975 -19.667 1.00 1.41 H new ATOM 0 HD11 LEU A 61 -9.208 16.814 -18.791 1.00 32.22 H new ATOM 0 HD12 LEU A 61 -7.850 17.871 -18.337 1.00 32.22 H new ATOM 0 HD13 LEU A 61 -8.952 18.352 -19.649 1.00 32.22 H new ATOM 0 HD21 LEU A 61 -9.151 15.547 -20.906 1.00 2.21 H new ATOM 0 HD22 LEU A 61 -8.891 17.034 -21.849 1.00 2.21 H new ATOM 0 HD23 LEU A 61 -7.751 15.676 -21.997 1.00 2.21 H new ATOM 976 N GLY A 62 -3.570 18.773 -21.437 1.00 52.55 N ATOM 977 CA GLY A 62 -2.728 19.801 -22.020 1.00 44.31 C ATOM 978 C GLY A 62 -1.934 19.295 -23.208 1.00 2.03 C ATOM 979 O GLY A 62 -1.465 20.083 -24.029 1.00 12.40 O ATOM 0 H GLY A 62 -3.383 18.572 -20.455 1.00 52.55 H new ATOM 0 HA2 GLY A 62 -3.349 20.641 -22.333 1.00 44.31 H new ATOM 0 HA3 GLY A 62 -2.041 20.177 -21.262 1.00 44.31 H new ATOM 983 N GLN A 63 -1.782 17.978 -23.299 1.00 2.20 N ATOM 984 CA GLN A 63 -1.037 17.369 -24.394 1.00 55.34 C ATOM 985 C GLN A 63 -1.972 16.959 -25.527 1.00 14.13 C ATOM 986 O GLN A 63 -1.563 16.882 -26.686 1.00 42.33 O ATOM 987 CB GLN A 63 -0.257 16.151 -23.894 1.00 30.35 C ATOM 988 CG GLN A 63 1.225 16.421 -23.690 1.00 44.53 C ATOM 989 CD GLN A 63 1.486 17.723 -22.961 1.00 35.41 C ATOM 990 OE1 GLN A 63 1.584 18.785 -23.578 1.00 75.23 O ATOM 991 NE2 GLN A 63 1.601 17.651 -21.640 1.00 52.45 N ATOM 0 H GLN A 63 -2.165 17.312 -22.628 1.00 2.20 H new ATOM 0 HA GLN A 63 -0.334 18.109 -24.777 1.00 55.34 H new ATOM 0 HB2 GLN A 63 -0.690 15.814 -22.952 1.00 30.35 H new ATOM 0 HB3 GLN A 63 -0.375 15.336 -24.608 1.00 30.35 H new ATOM 0 HG2 GLN A 63 1.666 15.599 -23.126 1.00 44.53 H new ATOM 0 HG3 GLN A 63 1.723 16.446 -24.659 1.00 44.53 H new ATOM 0 HE21 GLN A 63 1.513 16.751 -21.169 1.00 52.45 H new ATOM 0 HE22 GLN A 63 1.777 18.496 -21.097 1.00 52.45 H new ATOM 1000 N LEU A 64 -3.228 16.696 -25.184 1.00 32.43 N ATOM 1001 CA LEU A 64 -4.223 16.293 -26.173 1.00 12.32 C ATOM 1002 C LEU A 64 -4.877 17.512 -26.815 1.00 13.02 C ATOM 1003 O LEU A 64 -5.356 17.447 -27.946 1.00 61.14 O ATOM 1004 CB LEU A 64 -5.289 15.412 -25.522 1.00 40.35 C ATOM 1005 CG LEU A 64 -4.803 14.075 -24.959 1.00 62.32 C ATOM 1006 CD1 LEU A 64 -5.947 13.331 -24.286 1.00 32.01 C ATOM 1007 CD2 LEU A 64 -4.188 13.224 -26.062 1.00 2.22 C ATOM 0 H LEU A 64 -3.582 16.754 -24.229 1.00 32.43 H new ATOM 0 HA LEU A 64 -3.716 15.724 -26.952 1.00 12.32 H new ATOM 0 HB2 LEU A 64 -5.754 15.976 -24.714 1.00 40.35 H new ATOM 0 HB3 LEU A 64 -6.066 15.212 -26.259 1.00 40.35 H new ATOM 0 HG LEU A 64 -4.036 14.275 -24.210 1.00 62.32 H new ATOM 0 HD11 LEU A 64 -5.582 12.383 -23.892 1.00 32.01 H new ATOM 0 HD12 LEU A 64 -6.343 13.935 -23.470 1.00 32.01 H new ATOM 0 HD13 LEU A 64 -6.736 13.142 -25.014 1.00 32.01 H new ATOM 0 HD21 LEU A 64 -3.848 12.277 -25.644 1.00 2.22 H new ATOM 0 HD22 LEU A 64 -4.934 13.033 -26.833 1.00 2.22 H new ATOM 0 HD23 LEU A 64 -3.341 13.752 -26.500 1.00 2.22 H new ATOM 1019 N GLN A 65 -4.892 18.623 -26.085 1.00 73.54 N ATOM 1020 CA GLN A 65 -5.486 19.857 -26.585 1.00 50.45 C ATOM 1021 C GLN A 65 -4.917 20.221 -27.952 1.00 72.33 C ATOM 1022 O GLN A 65 -5.632 20.291 -28.951 1.00 34.32 O ATOM 1023 CB GLN A 65 -5.245 21.000 -25.598 1.00 41.22 C ATOM 1024 CG GLN A 65 -6.511 21.486 -24.909 1.00 54.03 C ATOM 1025 CD GLN A 65 -6.638 22.996 -24.921 1.00 3.43 C ATOM 1026 OE1 GLN A 65 -7.461 23.556 -25.645 1.00 63.13 O ATOM 1027 NE2 GLN A 65 -5.822 23.666 -24.115 1.00 1.30 N ATOM 0 H GLN A 65 -4.500 18.694 -25.146 1.00 73.54 H new ATOM 0 HA GLN A 65 -6.559 19.697 -26.690 1.00 50.45 H new ATOM 0 HB2 GLN A 65 -4.533 20.671 -24.841 1.00 41.22 H new ATOM 0 HB3 GLN A 65 -4.786 21.835 -26.127 1.00 41.22 H new ATOM 0 HG2 GLN A 65 -7.379 21.048 -25.402 1.00 54.03 H new ATOM 0 HG3 GLN A 65 -6.518 21.133 -23.878 1.00 54.03 H new ATOM 0 HE21 GLN A 65 -5.154 23.162 -23.531 1.00 1.30 H new ATOM 0 HE22 GLN A 65 -5.863 24.685 -24.080 1.00 1.30 H new ATOM 1036 N PRO A 66 -3.597 20.458 -27.999 1.00 35.33 N ATOM 1037 CA PRO A 66 -2.902 20.818 -29.238 1.00 35.45 C ATOM 1038 C PRO A 66 -2.827 19.655 -30.221 1.00 14.44 C ATOM 1039 O PRO A 66 -2.594 19.852 -31.413 1.00 74.53 O ATOM 1040 CB PRO A 66 -1.500 21.205 -28.759 1.00 3.41 C ATOM 1041 CG PRO A 66 -1.320 20.464 -27.479 1.00 1.34 C ATOM 1042 CD PRO A 66 -2.682 20.392 -26.847 1.00 3.13 C ATOM 0 HA PRO A 66 -3.418 21.612 -29.778 1.00 35.45 H new ATOM 0 HB2 PRO A 66 -0.741 20.925 -29.489 1.00 3.41 H new ATOM 0 HB3 PRO A 66 -1.416 22.281 -28.609 1.00 3.41 H new ATOM 0 HG2 PRO A 66 -0.920 19.466 -27.659 1.00 1.34 H new ATOM 0 HG3 PRO A 66 -0.614 20.978 -26.827 1.00 1.34 H new ATOM 0 HD2 PRO A 66 -2.814 19.470 -26.281 1.00 3.13 H new ATOM 0 HD3 PRO A 66 -2.848 21.217 -26.154 1.00 3.13 H new ATOM 1050 N SER A 67 -3.027 18.444 -29.713 1.00 54.43 N ATOM 1051 CA SER A 67 -2.978 17.248 -30.545 1.00 61.12 C ATOM 1052 C SER A 67 -4.300 17.044 -31.280 1.00 40.41 C ATOM 1053 O SER A 67 -4.341 16.439 -32.352 1.00 64.21 O ATOM 1054 CB SER A 67 -2.661 16.018 -29.692 1.00 14.32 C ATOM 1055 OG SER A 67 -2.024 15.013 -30.462 1.00 30.14 O ATOM 0 H SER A 67 -3.225 18.265 -28.729 1.00 54.43 H new ATOM 0 HA SER A 67 -2.187 17.382 -31.283 1.00 61.12 H new ATOM 0 HB2 SER A 67 -2.018 16.305 -28.860 1.00 14.32 H new ATOM 0 HB3 SER A 67 -3.581 15.623 -29.262 1.00 14.32 H new ATOM 0 HG SER A 67 -1.355 14.554 -29.912 1.00 30.14 H new ATOM 1061 N LEU A 68 -5.379 17.552 -30.695 1.00 50.12 N ATOM 1062 CA LEU A 68 -6.703 17.427 -31.292 1.00 24.32 C ATOM 1063 C LEU A 68 -6.700 17.921 -32.735 1.00 74.30 C ATOM 1064 O LEU A 68 -7.472 17.444 -33.567 1.00 51.23 O ATOM 1065 CB LEU A 68 -7.730 18.213 -30.475 1.00 21.00 C ATOM 1066 CG LEU A 68 -8.199 17.557 -29.176 1.00 54.01 C ATOM 1067 CD1 LEU A 68 -8.443 18.608 -28.104 1.00 63.23 C ATOM 1068 CD2 LEU A 68 -9.458 16.737 -29.418 1.00 53.41 C ATOM 0 H LEU A 68 -5.363 18.054 -29.807 1.00 50.12 H new ATOM 0 HA LEU A 68 -6.976 16.372 -31.289 1.00 24.32 H new ATOM 0 HB2 LEU A 68 -7.304 19.187 -30.233 1.00 21.00 H new ATOM 0 HB3 LEU A 68 -8.603 18.394 -31.103 1.00 21.00 H new ATOM 0 HG LEU A 68 -7.414 16.887 -28.826 1.00 54.01 H new ATOM 0 HD11 LEU A 68 -8.776 18.122 -27.187 1.00 63.23 H new ATOM 0 HD12 LEU A 68 -7.519 19.152 -27.911 1.00 63.23 H new ATOM 0 HD13 LEU A 68 -9.209 19.304 -28.445 1.00 63.23 H new ATOM 0 HD21 LEU A 68 -9.778 16.277 -28.483 1.00 53.41 H new ATOM 0 HD22 LEU A 68 -10.249 17.387 -29.792 1.00 53.41 H new ATOM 0 HD23 LEU A 68 -9.250 15.959 -30.152 1.00 53.41 H new ATOM 1080 N GLN A 69 -5.824 18.878 -33.025 1.00 62.52 N ATOM 1081 CA GLN A 69 -5.718 19.435 -34.368 1.00 62.32 C ATOM 1082 C GLN A 69 -5.551 18.328 -35.405 1.00 63.40 C ATOM 1083 O GLN A 69 -6.128 18.389 -36.492 1.00 72.02 O ATOM 1084 CB GLN A 69 -4.541 20.407 -34.449 1.00 70.11 C ATOM 1085 CG GLN A 69 -4.545 21.266 -35.704 1.00 24.00 C ATOM 1086 CD GLN A 69 -3.595 22.443 -35.609 1.00 71.12 C ATOM 1087 OE1 GLN A 69 -3.994 23.550 -35.248 1.00 21.43 O ATOM 1088 NE2 GLN A 69 -2.329 22.209 -35.933 1.00 61.30 N ATOM 0 H GLN A 69 -5.178 19.283 -32.348 1.00 62.52 H new ATOM 0 HA GLN A 69 -6.640 19.974 -34.584 1.00 62.32 H new ATOM 0 HB2 GLN A 69 -4.557 21.057 -33.574 1.00 70.11 H new ATOM 0 HB3 GLN A 69 -3.610 19.841 -34.409 1.00 70.11 H new ATOM 0 HG2 GLN A 69 -4.271 20.651 -36.561 1.00 24.00 H new ATOM 0 HG3 GLN A 69 -5.555 21.633 -35.885 1.00 24.00 H new ATOM 0 HE21 GLN A 69 -2.042 21.275 -36.227 1.00 61.30 H new ATOM 0 HE22 GLN A 69 -1.643 22.963 -35.888 1.00 61.30 H new ATOM 1097 N THR A 70 -4.759 17.318 -35.063 1.00 14.21 N ATOM 1098 CA THR A 70 -4.514 16.199 -35.964 1.00 4.41 C ATOM 1099 C THR A 70 -4.409 14.887 -35.195 1.00 34.11 C ATOM 1100 O THR A 70 -3.528 14.070 -35.460 1.00 64.14 O ATOM 1101 CB THR A 70 -3.225 16.407 -36.781 1.00 62.11 C ATOM 1102 OG1 THR A 70 -3.015 17.803 -37.018 1.00 30.11 O ATOM 1103 CG2 THR A 70 -3.300 15.667 -38.108 1.00 22.52 C ATOM 0 H THR A 70 -4.275 17.252 -34.167 1.00 14.21 H new ATOM 0 HA THR A 70 -5.363 16.150 -36.646 1.00 4.41 H new ATOM 0 HB THR A 70 -2.389 16.007 -36.207 1.00 62.11 H new ATOM 0 HG1 THR A 70 -2.193 17.927 -37.537 1.00 30.11 H new ATOM 0 HG21 THR A 70 -2.379 15.829 -38.667 1.00 22.52 H new ATOM 0 HG22 THR A 70 -3.430 14.601 -37.923 1.00 22.52 H new ATOM 0 HG23 THR A 70 -4.145 16.041 -38.686 1.00 22.52 H new ATOM 1111 N GLY A 71 -5.314 14.690 -34.241 1.00 13.45 N ATOM 1112 CA GLY A 71 -5.306 13.475 -33.449 1.00 50.02 C ATOM 1113 C GLY A 71 -6.027 12.331 -34.134 1.00 42.11 C ATOM 1114 O GLY A 71 -6.698 12.529 -35.147 1.00 74.52 O ATOM 0 H GLY A 71 -6.053 15.351 -34.003 1.00 13.45 H new ATOM 0 HA2 GLY A 71 -4.275 13.183 -33.249 1.00 50.02 H new ATOM 0 HA3 GLY A 71 -5.775 13.671 -32.485 1.00 50.02 H new ATOM 1118 N SER A 72 -5.888 11.130 -33.581 1.00 62.40 N ATOM 1119 CA SER A 72 -6.527 9.949 -34.149 1.00 0.10 C ATOM 1120 C SER A 72 -7.675 9.475 -33.265 1.00 2.52 C ATOM 1121 O SER A 72 -8.027 10.128 -32.283 1.00 23.01 O ATOM 1122 CB SER A 72 -5.505 8.825 -34.324 1.00 55.42 C ATOM 1123 OG SER A 72 -5.209 8.208 -33.083 1.00 71.05 O ATOM 0 H SER A 72 -5.339 10.950 -32.741 1.00 62.40 H new ATOM 0 HA SER A 72 -6.931 10.218 -35.125 1.00 0.10 H new ATOM 0 HB2 SER A 72 -5.893 8.081 -35.020 1.00 55.42 H new ATOM 0 HB3 SER A 72 -4.591 9.225 -34.762 1.00 55.42 H new ATOM 0 HG SER A 72 -4.555 7.492 -33.222 1.00 71.05 H new ATOM 1129 N GLU A 73 -8.256 8.333 -33.620 1.00 41.10 N ATOM 1130 CA GLU A 73 -9.365 7.771 -32.859 1.00 61.13 C ATOM 1131 C GLU A 73 -8.983 7.589 -31.393 1.00 0.34 C ATOM 1132 O GLU A 73 -9.779 7.863 -30.495 1.00 61.40 O ATOM 1133 CB GLU A 73 -9.794 6.429 -33.455 1.00 53.45 C ATOM 1134 CG GLU A 73 -11.301 6.262 -33.562 1.00 35.02 C ATOM 1135 CD GLU A 73 -11.703 5.252 -34.618 1.00 1.32 C ATOM 1136 OE1 GLU A 73 -11.665 5.600 -35.817 1.00 13.43 O ATOM 1137 OE2 GLU A 73 -12.055 4.113 -34.246 1.00 23.23 O1- ATOM 0 H GLU A 73 -7.977 7.779 -34.430 1.00 41.10 H new ATOM 0 HA GLU A 73 -10.200 8.469 -32.915 1.00 61.13 H new ATOM 0 HB2 GLU A 73 -9.354 6.325 -34.447 1.00 53.45 H new ATOM 0 HB3 GLU A 73 -9.391 5.623 -32.841 1.00 53.45 H new ATOM 0 HG2 GLU A 73 -11.697 5.949 -32.596 1.00 35.02 H new ATOM 0 HG3 GLU A 73 -11.754 7.226 -33.795 1.00 35.02 H new ATOM 1144 N GLU A 74 -7.759 7.127 -31.159 1.00 72.31 N ATOM 1145 CA GLU A 74 -7.271 6.908 -29.802 1.00 24.23 C ATOM 1146 C GLU A 74 -7.140 8.230 -29.051 1.00 62.31 C ATOM 1147 O GLU A 74 -7.398 8.302 -27.849 1.00 33.02 O ATOM 1148 CB GLU A 74 -5.922 6.188 -29.831 1.00 10.11 C ATOM 1149 CG GLU A 74 -6.008 4.716 -29.466 1.00 5.22 C ATOM 1150 CD GLU A 74 -6.714 3.893 -30.527 1.00 41.44 C ATOM 1151 OE1 GLU A 74 -6.866 4.391 -31.661 1.00 73.43 O1- ATOM 1152 OE2 GLU A 74 -7.114 2.750 -30.221 1.00 50.32 O ATOM 0 H GLU A 74 -7.087 6.897 -31.891 1.00 72.31 H new ATOM 0 HA GLU A 74 -7.996 6.284 -29.279 1.00 24.23 H new ATOM 0 HB2 GLU A 74 -5.492 6.282 -30.828 1.00 10.11 H new ATOM 0 HB3 GLU A 74 -5.240 6.685 -29.141 1.00 10.11 H new ATOM 0 HG2 GLU A 74 -5.002 4.323 -29.316 1.00 5.22 H new ATOM 0 HG3 GLU A 74 -6.536 4.611 -28.518 1.00 5.22 H new ATOM 1159 N LEU A 75 -6.737 9.273 -29.769 1.00 55.15 N ATOM 1160 CA LEU A 75 -6.569 10.593 -29.171 1.00 63.43 C ATOM 1161 C LEU A 75 -7.918 11.190 -28.784 1.00 21.11 C ATOM 1162 O LEU A 75 -8.064 11.774 -27.710 1.00 1.21 O ATOM 1163 CB LEU A 75 -5.847 11.526 -30.144 1.00 34.41 C ATOM 1164 CG LEU A 75 -4.964 12.603 -29.511 1.00 74.01 C ATOM 1165 CD1 LEU A 75 -3.544 12.514 -30.049 1.00 5.30 C ATOM 1166 CD2 LEU A 75 -5.546 13.986 -29.763 1.00 45.31 C ATOM 0 H LEU A 75 -6.521 9.230 -30.765 1.00 55.15 H new ATOM 0 HA LEU A 75 -5.968 10.483 -28.268 1.00 63.43 H new ATOM 0 HB2 LEU A 75 -5.228 10.920 -30.806 1.00 34.41 H new ATOM 0 HB3 LEU A 75 -6.594 12.017 -30.767 1.00 34.41 H new ATOM 0 HG LEU A 75 -4.934 12.434 -28.435 1.00 74.01 H new ATOM 0 HD11 LEU A 75 -2.931 13.288 -29.587 1.00 5.30 H new ATOM 0 HD12 LEU A 75 -3.127 11.534 -29.816 1.00 5.30 H new ATOM 0 HD13 LEU A 75 -3.555 12.656 -31.130 1.00 5.30 H new ATOM 0 HD21 LEU A 75 -4.905 14.739 -29.306 1.00 45.31 H new ATOM 0 HD22 LEU A 75 -5.607 14.165 -30.836 1.00 45.31 H new ATOM 0 HD23 LEU A 75 -6.544 14.046 -29.328 1.00 45.31 H new ATOM 1178 N ARG A 76 -8.902 11.037 -29.665 1.00 53.40 N ATOM 1179 CA ARG A 76 -10.239 11.561 -29.414 1.00 45.43 C ATOM 1180 C ARG A 76 -10.872 10.879 -28.204 1.00 14.22 C ATOM 1181 O ARG A 76 -11.380 11.543 -27.299 1.00 34.40 O ATOM 1182 CB ARG A 76 -11.127 11.362 -30.644 1.00 22.44 C ATOM 1183 CG ARG A 76 -11.912 12.604 -31.034 1.00 25.23 C ATOM 1184 CD ARG A 76 -13.154 12.772 -30.172 1.00 63.15 C ATOM 1185 NE ARG A 76 -14.067 13.773 -30.716 1.00 3.02 N ATOM 1186 CZ ARG A 76 -14.796 13.585 -31.810 1.00 32.30 C ATOM 1187 NH1 ARG A 76 -14.719 12.440 -32.473 1.00 63.33 N1+ ATOM 1188 NH2 ARG A 76 -15.605 14.544 -32.243 1.00 55.21 N ATOM 0 H ARG A 76 -8.798 10.555 -30.558 1.00 53.40 H new ATOM 0 HA ARG A 76 -10.150 12.627 -29.205 1.00 45.43 H new ATOM 0 HB2 ARG A 76 -10.505 11.056 -31.485 1.00 22.44 H new ATOM 0 HB3 ARG A 76 -11.825 10.547 -30.450 1.00 22.44 H new ATOM 0 HG2 ARG A 76 -11.276 13.484 -30.934 1.00 25.23 H new ATOM 0 HG3 ARG A 76 -12.202 12.538 -32.083 1.00 25.23 H new ATOM 0 HD2 ARG A 76 -13.671 11.816 -30.091 1.00 63.15 H new ATOM 0 HD3 ARG A 76 -12.859 13.061 -29.163 1.00 63.15 H new ATOM 0 HE ARG A 76 -14.149 14.666 -30.229 1.00 3.02 H new ATOM 0 HH11 ARG A 76 -14.099 11.700 -32.143 1.00 63.33 H new ATOM 0 HH12 ARG A 76 -15.280 12.298 -33.313 1.00 63.33 H new ATOM 0 HH21 ARG A 76 -15.667 15.427 -31.735 1.00 55.21 H new ATOM 0 HH22 ARG A 76 -16.164 14.398 -33.083 1.00 55.21 H new ATOM 1202 N SER A 77 -10.838 9.551 -28.193 1.00 63.34 N ATOM 1203 CA SER A 77 -11.411 8.779 -27.097 1.00 22.15 C ATOM 1204 C SER A 77 -10.862 9.252 -25.755 1.00 54.02 C ATOM 1205 O SER A 77 -11.609 9.424 -24.790 1.00 33.44 O ATOM 1206 CB SER A 77 -11.117 7.290 -27.285 1.00 65.20 C ATOM 1207 OG SER A 77 -12.054 6.692 -28.166 1.00 13.10 O ATOM 0 H SER A 77 -10.419 8.986 -28.932 1.00 63.34 H new ATOM 0 HA SER A 77 -12.490 8.932 -27.103 1.00 22.15 H new ATOM 0 HB2 SER A 77 -10.109 7.162 -27.680 1.00 65.20 H new ATOM 0 HB3 SER A 77 -11.148 6.785 -26.319 1.00 65.20 H new ATOM 0 HG SER A 77 -11.843 5.741 -28.271 1.00 13.10 H new ATOM 1213 N LEU A 78 -9.550 9.459 -25.699 1.00 63.23 N ATOM 1214 CA LEU A 78 -8.898 9.912 -24.476 1.00 52.33 C ATOM 1215 C LEU A 78 -9.481 11.241 -24.008 1.00 25.14 C ATOM 1216 O LEU A 78 -9.978 11.353 -22.887 1.00 13.32 O ATOM 1217 CB LEU A 78 -7.392 10.054 -24.700 1.00 41.12 C ATOM 1218 CG LEU A 78 -6.521 8.930 -24.138 1.00 61.24 C ATOM 1219 CD1 LEU A 78 -6.735 8.787 -22.639 1.00 63.25 C ATOM 1220 CD2 LEU A 78 -6.820 7.618 -24.849 1.00 70.12 C ATOM 0 H LEU A 78 -8.917 9.320 -26.487 1.00 63.23 H new ATOM 0 HA LEU A 78 -9.075 9.166 -23.702 1.00 52.33 H new ATOM 0 HB2 LEU A 78 -7.210 10.126 -25.772 1.00 41.12 H new ATOM 0 HB3 LEU A 78 -7.066 10.995 -24.257 1.00 41.12 H new ATOM 0 HG LEU A 78 -5.476 9.185 -24.312 1.00 61.24 H new ATOM 0 HD11 LEU A 78 -6.107 7.982 -22.257 1.00 63.25 H new ATOM 0 HD12 LEU A 78 -6.470 9.721 -22.143 1.00 63.25 H new ATOM 0 HD13 LEU A 78 -7.782 8.555 -22.441 1.00 63.25 H new ATOM 0 HD21 LEU A 78 -6.191 6.829 -24.436 1.00 70.12 H new ATOM 0 HD22 LEU A 78 -7.869 7.358 -24.707 1.00 70.12 H new ATOM 0 HD23 LEU A 78 -6.614 7.726 -25.914 1.00 70.12 H new ATOM 1232 N TYR A 79 -9.420 12.246 -24.875 1.00 60.21 N ATOM 1233 CA TYR A 79 -9.942 13.569 -24.550 1.00 64.41 C ATOM 1234 C TYR A 79 -11.385 13.480 -24.065 1.00 25.45 C ATOM 1235 O TYR A 79 -11.831 14.292 -23.255 1.00 74.40 O ATOM 1236 CB TYR A 79 -9.858 14.487 -25.772 1.00 52.43 C ATOM 1237 CG TYR A 79 -9.692 15.947 -25.420 1.00 1.24 C ATOM 1238 CD1 TYR A 79 -8.544 16.404 -24.786 1.00 34.31 C ATOM 1239 CD2 TYR A 79 -10.686 16.871 -25.720 1.00 1.34 C ATOM 1240 CE1 TYR A 79 -8.389 17.738 -24.463 1.00 15.21 C ATOM 1241 CE2 TYR A 79 -10.540 18.208 -25.401 1.00 74.35 C ATOM 1242 CZ TYR A 79 -9.389 18.636 -24.772 1.00 32.33 C ATOM 1243 OH TYR A 79 -9.240 19.966 -24.452 1.00 14.21 O ATOM 0 H TYR A 79 -9.015 12.170 -25.808 1.00 60.21 H new ATOM 0 HA TYR A 79 -9.333 13.986 -23.748 1.00 64.41 H new ATOM 0 HB2 TYR A 79 -9.020 14.174 -26.394 1.00 52.43 H new ATOM 0 HB3 TYR A 79 -10.761 14.366 -26.370 1.00 52.43 H new ATOM 0 HD1 TYR A 79 -7.759 15.704 -24.541 1.00 34.31 H new ATOM 0 HD2 TYR A 79 -11.589 16.538 -26.211 1.00 1.34 H new ATOM 0 HE1 TYR A 79 -7.489 18.076 -23.971 1.00 15.21 H new ATOM 0 HE2 TYR A 79 -11.322 18.913 -25.643 1.00 74.35 H new ATOM 0 HH TYR A 79 -10.035 20.463 -24.739 1.00 14.21 H new ATOM 1253 N ASN A 80 -12.112 12.487 -24.568 1.00 31.14 N ATOM 1254 CA ASN A 80 -13.507 12.292 -24.187 1.00 52.33 C ATOM 1255 C ASN A 80 -13.613 11.814 -22.742 1.00 12.23 C ATOM 1256 O ASN A 80 -14.224 12.474 -21.901 1.00 3.12 O ATOM 1257 CB ASN A 80 -14.175 11.281 -25.120 1.00 71.05 C ATOM 1258 CG ASN A 80 -15.064 11.947 -26.152 1.00 21.20 C ATOM 1259 OD1 ASN A 80 -14.812 13.078 -26.569 1.00 54.43 O ATOM 1260 ND2 ASN A 80 -16.112 11.246 -26.571 1.00 73.13 N ATOM 0 H ASN A 80 -11.759 11.805 -25.240 1.00 31.14 H new ATOM 0 HA ASN A 80 -14.020 13.250 -24.274 1.00 52.33 H new ATOM 0 HB2 ASN A 80 -13.407 10.697 -25.628 1.00 71.05 H new ATOM 0 HB3 ASN A 80 -14.768 10.583 -24.530 1.00 71.05 H new ATOM 0 HD21 ASN A 80 -16.746 11.642 -27.265 1.00 73.13 H new ATOM 0 HD22 ASN A 80 -16.283 10.312 -26.198 1.00 73.13 H new ATOM 1267 N THR A 81 -13.014 10.662 -22.459 1.00 53.44 N ATOM 1268 CA THR A 81 -13.041 10.095 -21.116 1.00 21.41 C ATOM 1269 C THR A 81 -12.393 11.037 -20.109 1.00 43.43 C ATOM 1270 O THR A 81 -12.994 11.378 -19.089 1.00 52.13 O ATOM 1271 CB THR A 81 -12.321 8.734 -21.066 1.00 23.10 C ATOM 1272 OG1 THR A 81 -12.879 7.849 -22.044 1.00 74.43 O ATOM 1273 CG2 THR A 81 -12.439 8.110 -19.684 1.00 10.23 C ATOM 0 H THR A 81 -12.504 10.103 -23.142 1.00 53.44 H new ATOM 0 HA THR A 81 -14.089 9.953 -20.854 1.00 21.41 H new ATOM 0 HB THR A 81 -11.266 8.897 -21.284 1.00 23.10 H new ATOM 0 HG1 THR A 81 -12.415 6.987 -22.007 1.00 74.43 H new ATOM 0 HG21 THR A 81 -11.923 7.150 -19.673 1.00 10.23 H new ATOM 0 HG22 THR A 81 -11.988 8.773 -18.946 1.00 10.23 H new ATOM 0 HG23 THR A 81 -13.491 7.959 -19.441 1.00 10.23 H new ATOM 1281 N ILE A 82 -11.166 11.454 -20.401 1.00 12.55 N ATOM 1282 CA ILE A 82 -10.438 12.360 -19.519 1.00 60.31 C ATOM 1283 C ILE A 82 -11.270 13.594 -19.190 1.00 11.35 C ATOM 1284 O ILE A 82 -11.270 14.071 -18.055 1.00 22.12 O ATOM 1285 CB ILE A 82 -9.105 12.806 -20.147 1.00 20.43 C ATOM 1286 CG1 ILE A 82 -8.232 11.589 -20.462 1.00 22.15 C ATOM 1287 CG2 ILE A 82 -8.374 13.762 -19.216 1.00 24.22 C ATOM 1288 CD1 ILE A 82 -7.120 11.881 -21.444 1.00 32.11 C ATOM 0 H ILE A 82 -10.655 11.180 -21.240 1.00 12.55 H new ATOM 0 HA ILE A 82 -10.232 11.809 -18.601 1.00 60.31 H new ATOM 0 HB ILE A 82 -9.317 13.329 -21.080 1.00 20.43 H new ATOM 0 HG12 ILE A 82 -7.798 11.214 -19.535 1.00 22.15 H new ATOM 0 HG13 ILE A 82 -8.861 10.795 -20.864 1.00 22.15 H new ATOM 0 HG21 ILE A 82 -7.434 14.068 -19.674 1.00 24.22 H new ATOM 0 HG22 ILE A 82 -8.994 14.641 -19.037 1.00 24.22 H new ATOM 0 HG23 ILE A 82 -8.170 13.263 -18.269 1.00 24.22 H new ATOM 0 HD11 ILE A 82 -6.542 10.974 -21.620 1.00 32.11 H new ATOM 0 HD12 ILE A 82 -7.547 12.228 -22.385 1.00 32.11 H new ATOM 0 HD13 ILE A 82 -6.467 12.653 -21.036 1.00 32.11 H new ATOM 1300 N ALA A 83 -11.982 14.106 -20.190 1.00 73.21 N ATOM 1301 CA ALA A 83 -12.821 15.283 -20.005 1.00 63.41 C ATOM 1302 C ALA A 83 -13.860 15.050 -18.914 1.00 34.12 C ATOM 1303 O ALA A 83 -14.091 15.915 -18.068 1.00 22.31 O ATOM 1304 CB ALA A 83 -13.503 15.654 -21.314 1.00 24.30 C ATOM 0 H ALA A 83 -11.994 13.724 -21.136 1.00 73.21 H new ATOM 0 HA ALA A 83 -12.183 16.109 -19.692 1.00 63.41 H new ATOM 0 HB1 ALA A 83 -14.127 16.535 -21.162 1.00 24.30 H new ATOM 0 HB2 ALA A 83 -12.748 15.870 -22.069 1.00 24.30 H new ATOM 0 HB3 ALA A 83 -14.124 14.823 -21.649 1.00 24.30 H new ATOM 1310 N VAL A 84 -14.485 13.877 -18.936 1.00 60.33 N ATOM 1311 CA VAL A 84 -15.499 13.531 -17.948 1.00 51.41 C ATOM 1312 C VAL A 84 -14.871 13.286 -16.580 1.00 20.35 C ATOM 1313 O VAL A 84 -15.410 13.706 -15.554 1.00 71.43 O ATOM 1314 CB VAL A 84 -16.289 12.278 -18.369 1.00 61.32 C ATOM 1315 CG1 VAL A 84 -17.368 11.959 -17.347 1.00 63.00 C ATOM 1316 CG2 VAL A 84 -16.893 12.469 -19.752 1.00 32.23 C ATOM 0 H VAL A 84 -14.306 13.150 -19.628 1.00 60.33 H new ATOM 0 HA VAL A 84 -16.182 14.378 -17.886 1.00 51.41 H new ATOM 0 HB VAL A 84 -15.601 11.433 -18.411 1.00 61.32 H new ATOM 0 HG11 VAL A 84 -17.916 11.071 -17.661 1.00 63.00 H new ATOM 0 HG12 VAL A 84 -16.907 11.776 -16.376 1.00 63.00 H new ATOM 0 HG13 VAL A 84 -18.056 12.801 -17.269 1.00 63.00 H new ATOM 0 HG21 VAL A 84 -17.448 11.574 -20.034 1.00 32.23 H new ATOM 0 HG22 VAL A 84 -17.568 13.325 -19.739 1.00 32.23 H new ATOM 0 HG23 VAL A 84 -16.097 12.645 -20.476 1.00 32.23 H new ATOM 1326 N LEU A 85 -13.730 12.607 -16.571 1.00 64.52 N ATOM 1327 CA LEU A 85 -13.028 12.307 -15.328 1.00 71.45 C ATOM 1328 C LEU A 85 -12.553 13.587 -14.648 1.00 50.00 C ATOM 1329 O LEU A 85 -12.916 13.865 -13.506 1.00 5.25 O ATOM 1330 CB LEU A 85 -11.835 11.389 -15.603 1.00 23.42 C ATOM 1331 CG LEU A 85 -11.446 10.437 -14.471 1.00 65.22 C ATOM 1332 CD1 LEU A 85 -11.596 8.990 -14.916 1.00 31.14 C ATOM 1333 CD2 LEU A 85 -10.023 10.710 -14.009 1.00 32.04 C ATOM 0 H LEU A 85 -13.271 12.254 -17.410 1.00 64.52 H new ATOM 0 HA LEU A 85 -13.724 11.799 -14.660 1.00 71.45 H new ATOM 0 HB2 LEU A 85 -12.056 10.796 -16.490 1.00 23.42 H new ATOM 0 HB3 LEU A 85 -10.972 12.010 -15.841 1.00 23.42 H new ATOM 0 HG LEU A 85 -12.118 10.609 -13.630 1.00 65.22 H new ATOM 0 HD11 LEU A 85 -11.315 8.327 -14.098 1.00 31.14 H new ATOM 0 HD12 LEU A 85 -12.632 8.801 -15.197 1.00 31.14 H new ATOM 0 HD13 LEU A 85 -10.948 8.804 -15.773 1.00 31.14 H new ATOM 0 HD21 LEU A 85 -9.764 10.023 -13.203 1.00 32.04 H new ATOM 0 HD22 LEU A 85 -9.336 10.567 -14.843 1.00 32.04 H new ATOM 0 HD23 LEU A 85 -9.948 11.736 -13.649 1.00 32.04 H new ATOM 1345 N TYR A 86 -11.742 14.362 -15.359 1.00 33.23 N ATOM 1346 CA TYR A 86 -11.218 15.613 -14.824 1.00 32.12 C ATOM 1347 C TYR A 86 -12.345 16.494 -14.294 1.00 41.00 C ATOM 1348 O TYR A 86 -12.254 17.044 -13.195 1.00 64.10 O ATOM 1349 CB TYR A 86 -10.432 16.364 -15.901 1.00 43.24 C ATOM 1350 CG TYR A 86 -10.010 17.754 -15.484 1.00 30.42 C ATOM 1351 CD1 TYR A 86 -10.850 18.844 -15.680 1.00 34.20 C ATOM 1352 CD2 TYR A 86 -8.772 17.979 -14.896 1.00 55.13 C ATOM 1353 CE1 TYR A 86 -10.469 20.117 -15.301 1.00 50.35 C ATOM 1354 CE2 TYR A 86 -8.383 19.248 -14.512 1.00 21.53 C ATOM 1355 CZ TYR A 86 -9.234 20.313 -14.718 1.00 1.55 C ATOM 1356 OH TYR A 86 -8.850 21.580 -14.339 1.00 72.35 O ATOM 0 H TYR A 86 -11.433 14.146 -16.307 1.00 33.23 H new ATOM 0 HA TYR A 86 -10.550 15.373 -13.997 1.00 32.12 H new ATOM 0 HB2 TYR A 86 -9.545 15.787 -16.160 1.00 43.24 H new ATOM 0 HB3 TYR A 86 -11.042 16.433 -16.802 1.00 43.24 H new ATOM 0 HD1 TYR A 86 -11.817 18.693 -16.136 1.00 34.20 H new ATOM 0 HD2 TYR A 86 -8.102 17.147 -14.736 1.00 55.13 H new ATOM 0 HE1 TYR A 86 -11.134 20.953 -15.460 1.00 50.35 H new ATOM 0 HE2 TYR A 86 -7.418 19.405 -14.053 1.00 21.53 H new ATOM 0 HH TYR A 86 -7.954 21.546 -13.944 1.00 72.35 H new ATOM 1366 N CYS A 87 -13.406 16.624 -15.083 1.00 21.01 N ATOM 1367 CA CYS A 87 -14.552 17.438 -14.695 1.00 41.23 C ATOM 1368 C CYS A 87 -15.062 17.036 -13.315 1.00 0.41 C ATOM 1369 O CYS A 87 -15.464 17.885 -12.519 1.00 11.14 O ATOM 1370 CB CYS A 87 -15.674 17.301 -15.725 1.00 63.44 C ATOM 1371 SG CYS A 87 -15.561 18.472 -17.099 1.00 43.42 S ATOM 0 H CYS A 87 -13.496 16.176 -15.995 1.00 21.01 H new ATOM 0 HA CYS A 87 -14.230 18.479 -14.655 1.00 41.23 H new ATOM 0 HB2 CYS A 87 -15.665 16.287 -16.124 1.00 63.44 H new ATOM 0 HB3 CYS A 87 -16.632 17.437 -15.223 1.00 63.44 H new ATOM 0 HG CYS A 87 -16.750 18.905 -17.399 1.00 43.42 H new ATOM 1377 N VAL A 88 -15.045 15.736 -13.038 1.00 35.24 N ATOM 1378 CA VAL A 88 -15.506 15.221 -11.754 1.00 31.44 C ATOM 1379 C VAL A 88 -14.655 15.759 -10.609 1.00 22.45 C ATOM 1380 O VAL A 88 -15.175 16.122 -9.553 1.00 52.24 O ATOM 1381 CB VAL A 88 -15.475 13.682 -11.723 1.00 50.03 C ATOM 1382 CG1 VAL A 88 -15.949 13.166 -10.373 1.00 3.12 C ATOM 1383 CG2 VAL A 88 -16.321 13.109 -12.850 1.00 14.34 C ATOM 0 H VAL A 88 -14.717 15.020 -13.686 1.00 35.24 H new ATOM 0 HA VAL A 88 -16.535 15.559 -11.628 1.00 31.44 H new ATOM 0 HB VAL A 88 -14.446 13.353 -11.870 1.00 50.03 H new ATOM 0 HG11 VAL A 88 -15.920 12.076 -10.370 1.00 3.12 H new ATOM 0 HG12 VAL A 88 -15.297 13.549 -9.588 1.00 3.12 H new ATOM 0 HG13 VAL A 88 -16.970 13.503 -10.193 1.00 3.12 H new ATOM 0 HG21 VAL A 88 -16.287 12.020 -12.813 1.00 14.34 H new ATOM 0 HG22 VAL A 88 -17.352 13.444 -12.738 1.00 14.34 H new ATOM 0 HG23 VAL A 88 -15.931 13.451 -13.808 1.00 14.34 H new ATOM 1393 N HIS A 89 -13.345 15.811 -10.825 1.00 31.52 N ATOM 1394 CA HIS A 89 -12.420 16.307 -9.812 1.00 11.50 C ATOM 1395 C HIS A 89 -12.498 17.827 -9.704 1.00 75.21 C ATOM 1396 O HIS A 89 -11.907 18.357 -8.764 1.00 60.20 O ATOM 1397 CB HIS A 89 -10.990 15.880 -10.143 1.00 72.30 C ATOM 1398 CG HIS A 89 -10.797 14.395 -10.165 1.00 22.03 C ATOM 1399 ND1 HIS A 89 -11.580 13.524 -9.437 1.00 12.14 N ATOM 1400 CD2 HIS A 89 -9.906 13.627 -10.835 1.00 10.11 C ATOM 1401 CE1 HIS A 89 -11.177 12.285 -9.657 1.00 1.35 C ATOM 1402 NE2 HIS A 89 -10.162 12.321 -10.502 1.00 64.02 N ATOM 0 H HIS A 89 -12.899 15.515 -11.694 1.00 31.52 H new ATOM 0 HA HIS A 89 -12.706 15.877 -8.852 1.00 11.50 H new ATOM 0 HB2 HIS A 89 -10.714 16.288 -11.115 1.00 72.30 H new ATOM 0 HB3 HIS A 89 -10.311 16.315 -9.410 1.00 72.30 H new ATOM 0 HD1 HIS A 89 -12.350 13.794 -8.825 1.00 12.14 H new ATOM 0 HD2 HIS A 89 -9.136 13.977 -11.507 1.00 10.11 H new ATOM 0 HE1 HIS A 89 -11.605 11.394 -9.220 1.00 1.35 H new ATOM 0 HE2 HIS A 89 -9.652 11.509 -10.850 1.00 64.02 H new ATOM 1411 N GLN A 90 -13.186 18.516 -10.609 1.00 41.01 N ATOM 1412 CA GLN A 90 -13.287 19.969 -10.546 1.00 32.21 C ATOM 1413 C GLN A 90 -14.691 20.400 -10.133 1.00 34.40 C ATOM 1414 O GLN A 90 -15.136 21.498 -10.467 1.00 15.24 O ATOM 1415 CB GLN A 90 -12.929 20.585 -11.899 1.00 22.43 C ATOM 1416 CG GLN A 90 -11.434 20.760 -12.113 1.00 53.12 C ATOM 1417 CD GLN A 90 -11.083 22.105 -12.718 1.00 11.40 C ATOM 1418 OE1 GLN A 90 -11.647 22.507 -13.735 1.00 50.24 O ATOM 1419 NE2 GLN A 90 -10.146 22.809 -12.092 1.00 23.33 N ATOM 0 H GLN A 90 -13.681 18.092 -11.393 1.00 41.01 H new ATOM 0 HA GLN A 90 -12.582 20.325 -9.795 1.00 32.21 H new ATOM 0 HB2 GLN A 90 -13.330 19.955 -12.693 1.00 22.43 H new ATOM 0 HB3 GLN A 90 -13.416 21.556 -11.987 1.00 22.43 H new ATOM 0 HG2 GLN A 90 -10.919 20.650 -11.159 1.00 53.12 H new ATOM 0 HG3 GLN A 90 -11.069 19.967 -12.765 1.00 53.12 H new ATOM 0 HE21 GLN A 90 -9.705 22.437 -11.251 1.00 23.33 H new ATOM 0 HE22 GLN A 90 -9.868 23.722 -12.452 1.00 23.33 H new ATOM 1428 N ARG A 91 -15.383 19.529 -9.407 1.00 71.55 N ATOM 1429 CA ARG A 91 -16.736 19.818 -8.951 1.00 32.42 C ATOM 1430 C ARG A 91 -17.647 20.155 -10.128 1.00 73.14 C ATOM 1431 O ARG A 91 -18.633 20.875 -9.977 1.00 0.44 O ATOM 1432 CB ARG A 91 -16.723 20.979 -7.955 1.00 45.22 C ATOM 1433 CG ARG A 91 -15.983 20.667 -6.665 1.00 60.35 C ATOM 1434 CD ARG A 91 -15.764 21.919 -5.830 1.00 62.21 C ATOM 1435 NE ARG A 91 -17.024 22.560 -5.466 1.00 24.14 N ATOM 1436 CZ ARG A 91 -17.869 22.063 -4.569 1.00 25.11 C ATOM 1437 NH1 ARG A 91 -17.590 20.925 -3.950 1.00 51.22 N1+ ATOM 1438 NH2 ARG A 91 -18.997 22.705 -4.291 1.00 71.22 N ATOM 0 H ARG A 91 -15.028 18.616 -9.122 1.00 71.55 H new ATOM 0 HA ARG A 91 -17.124 18.927 -8.457 1.00 32.42 H new ATOM 0 HB2 ARG A 91 -16.262 21.847 -8.427 1.00 45.22 H new ATOM 0 HB3 ARG A 91 -17.751 21.254 -7.717 1.00 45.22 H new ATOM 0 HG2 ARG A 91 -16.550 19.938 -6.087 1.00 60.35 H new ATOM 0 HG3 ARG A 91 -15.021 20.211 -6.898 1.00 60.35 H new ATOM 0 HD2 ARG A 91 -15.214 21.660 -4.925 1.00 62.21 H new ATOM 0 HD3 ARG A 91 -15.147 22.623 -6.387 1.00 62.21 H new ATOM 0 HE ARG A 91 -17.269 23.437 -5.925 1.00 24.14 H new ATOM 0 HH11 ARG A 91 -16.725 20.428 -4.162 1.00 51.22 H new ATOM 0 HH12 ARG A 91 -18.241 20.546 -3.262 1.00 51.22 H new ATOM 0 HH21 ARG A 91 -19.216 23.581 -4.766 1.00 71.22 H new ATOM 0 HH22 ARG A 91 -19.645 22.323 -3.602 1.00 71.22 H new ATOM 1452 N ILE A 92 -17.308 19.627 -11.301 1.00 11.14 N ATOM 1453 CA ILE A 92 -18.095 19.872 -12.503 1.00 43.11 C ATOM 1454 C ILE A 92 -19.063 18.723 -12.768 1.00 24.45 C ATOM 1455 O ILE A 92 -18.652 17.572 -12.910 1.00 0.21 O ATOM 1456 CB ILE A 92 -17.194 20.064 -13.737 1.00 12.31 C ATOM 1457 CG1 ILE A 92 -16.082 21.070 -13.430 1.00 62.53 C ATOM 1458 CG2 ILE A 92 -18.019 20.524 -14.929 1.00 11.14 C ATOM 1459 CD1 ILE A 92 -15.142 21.301 -14.592 1.00 35.33 C ATOM 0 H ILE A 92 -16.495 19.028 -11.443 1.00 11.14 H new ATOM 0 HA ILE A 92 -18.659 20.788 -12.330 1.00 43.11 H new ATOM 0 HB ILE A 92 -16.735 19.108 -13.987 1.00 12.31 H new ATOM 0 HG12 ILE A 92 -16.532 22.020 -13.142 1.00 62.53 H new ATOM 0 HG13 ILE A 92 -15.508 20.716 -12.573 1.00 62.53 H new ATOM 0 HG21 ILE A 92 -17.368 20.655 -15.793 1.00 11.14 H new ATOM 0 HG22 ILE A 92 -18.778 19.776 -15.157 1.00 11.14 H new ATOM 0 HG23 ILE A 92 -18.503 21.471 -14.692 1.00 11.14 H new ATOM 0 HD11 ILE A 92 -14.379 22.025 -14.305 1.00 35.33 H new ATOM 0 HD12 ILE A 92 -14.665 20.360 -14.866 1.00 35.33 H new ATOM 0 HD13 ILE A 92 -15.704 21.685 -15.444 1.00 35.33 H new ATOM 1471 N ASP A 93 -20.350 19.046 -12.837 1.00 32.31 N ATOM 1472 CA ASP A 93 -21.377 18.042 -13.089 1.00 2.54 C ATOM 1473 C ASP A 93 -21.876 18.124 -14.529 1.00 52.34 C ATOM 1474 O ASP A 93 -22.463 19.126 -14.937 1.00 45.51 O ATOM 1475 CB ASP A 93 -22.547 18.224 -12.120 1.00 63.24 C ATOM 1476 CG ASP A 93 -23.581 17.123 -12.249 1.00 11.50 C ATOM 1477 OD1 ASP A 93 -24.488 17.256 -13.097 1.00 52.14 O ATOM 1478 OD2 ASP A 93 -23.483 16.128 -11.500 1.00 64.01 O1- ATOM 0 H ASP A 93 -20.707 19.995 -12.722 1.00 32.31 H new ATOM 0 HA ASP A 93 -20.935 17.058 -12.932 1.00 2.54 H new ATOM 0 HB2 ASP A 93 -22.169 18.245 -11.098 1.00 63.24 H new ATOM 0 HB3 ASP A 93 -23.022 19.188 -12.305 1.00 63.24 H new ATOM 1483 N VAL A 94 -21.636 17.064 -15.294 1.00 4.41 N ATOM 1484 CA VAL A 94 -22.061 17.016 -16.688 1.00 51.41 C ATOM 1485 C VAL A 94 -22.953 15.807 -16.949 1.00 70.22 C ATOM 1486 O VAL A 94 -22.923 14.827 -16.205 1.00 44.35 O ATOM 1487 CB VAL A 94 -20.853 16.964 -17.641 1.00 73.23 C ATOM 1488 CG1 VAL A 94 -20.089 18.279 -17.609 1.00 2.15 C ATOM 1489 CG2 VAL A 94 -19.941 15.801 -17.282 1.00 72.13 C ATOM 0 H VAL A 94 -21.150 16.227 -14.972 1.00 4.41 H new ATOM 0 HA VAL A 94 -22.626 17.929 -16.879 1.00 51.41 H new ATOM 0 HB VAL A 94 -21.220 16.809 -18.656 1.00 73.23 H new ATOM 0 HG11 VAL A 94 -19.239 18.223 -18.289 1.00 2.15 H new ATOM 0 HG12 VAL A 94 -20.748 19.090 -17.918 1.00 2.15 H new ATOM 0 HG13 VAL A 94 -19.732 18.468 -16.597 1.00 2.15 H new ATOM 0 HG21 VAL A 94 -19.092 15.779 -17.966 1.00 72.13 H new ATOM 0 HG22 VAL A 94 -19.581 15.923 -16.260 1.00 72.13 H new ATOM 0 HG23 VAL A 94 -20.495 14.866 -17.362 1.00 72.13 H new ATOM 1499 N LYS A 95 -23.746 15.883 -18.012 1.00 63.34 N ATOM 1500 CA LYS A 95 -24.646 14.795 -18.376 1.00 51.43 C ATOM 1501 C LYS A 95 -23.997 13.871 -19.400 1.00 73.34 C ATOM 1502 O LYS A 95 -24.251 12.666 -19.412 1.00 64.14 O ATOM 1503 CB LYS A 95 -25.956 15.355 -18.935 1.00 41.01 C ATOM 1504 CG LYS A 95 -26.860 15.962 -17.876 1.00 11.12 C ATOM 1505 CD LYS A 95 -27.652 14.895 -17.139 1.00 35.44 C ATOM 1506 CE LYS A 95 -28.854 15.490 -16.422 1.00 62.01 C ATOM 1507 NZ LYS A 95 -29.140 14.784 -15.142 1.00 22.44 N1+ ATOM 0 H LYS A 95 -23.784 16.688 -18.637 1.00 63.34 H new ATOM 0 HA LYS A 95 -24.860 14.217 -17.477 1.00 51.43 H new ATOM 0 HB2 LYS A 95 -25.727 16.114 -19.683 1.00 41.01 H new ATOM 0 HB3 LYS A 95 -26.494 14.556 -19.445 1.00 41.01 H new ATOM 0 HG2 LYS A 95 -26.259 16.527 -17.164 1.00 11.12 H new ATOM 0 HG3 LYS A 95 -27.547 16.668 -18.344 1.00 11.12 H new ATOM 0 HD2 LYS A 95 -27.987 14.136 -17.846 1.00 35.44 H new ATOM 0 HD3 LYS A 95 -27.007 14.395 -16.417 1.00 35.44 H new ATOM 0 HE2 LYS A 95 -28.672 16.546 -16.222 1.00 62.01 H new ATOM 0 HE3 LYS A 95 -29.728 15.435 -17.071 1.00 62.01 H new ATOM 0 HZ1 LYS A 95 -29.966 15.218 -14.683 1.00 22.44 H new ATOM 0 HZ2 LYS A 95 -29.339 13.782 -15.335 1.00 22.44 H new ATOM 0 HZ3 LYS A 95 -28.315 14.858 -14.513 1.00 22.44 H new ATOM 1521 N ASP A 96 -23.157 14.441 -20.257 1.00 43.01 N ATOM 1522 CA ASP A 96 -22.469 13.667 -21.284 1.00 1.40 C ATOM 1523 C ASP A 96 -21.024 14.129 -21.435 1.00 74.40 C ATOM 1524 O ASP A 96 -20.576 15.043 -20.741 1.00 51.44 O ATOM 1525 CB ASP A 96 -23.200 13.792 -22.621 1.00 25.12 C ATOM 1526 CG ASP A 96 -23.642 15.214 -22.910 1.00 50.43 C ATOM 1527 OD1 ASP A 96 -22.810 16.005 -23.402 1.00 33.51 O ATOM 1528 OD2 ASP A 96 -24.818 15.535 -22.644 1.00 43.53 O1- ATOM 0 H ASP A 96 -22.936 15.437 -20.261 1.00 43.01 H new ATOM 0 HA ASP A 96 -22.467 12.621 -20.976 1.00 1.40 H new ATOM 0 HB2 ASP A 96 -22.546 13.448 -23.423 1.00 25.12 H new ATOM 0 HB3 ASP A 96 -24.072 13.137 -22.618 1.00 25.12 H new ATOM 1533 N THR A 97 -20.296 13.491 -22.346 1.00 41.03 N ATOM 1534 CA THR A 97 -18.900 13.834 -22.587 1.00 12.32 C ATOM 1535 C THR A 97 -18.778 15.184 -23.283 1.00 21.14 C ATOM 1536 O THR A 97 -17.819 15.924 -23.062 1.00 12.15 O ATOM 1537 CB THR A 97 -18.198 12.763 -23.443 1.00 14.11 C ATOM 1538 OG1 THR A 97 -18.279 11.489 -22.797 1.00 51.44 O ATOM 1539 CG2 THR A 97 -16.740 13.127 -23.677 1.00 35.24 C ATOM 0 H THR A 97 -20.651 12.733 -22.930 1.00 41.03 H new ATOM 0 HA THR A 97 -18.415 13.885 -21.612 1.00 12.32 H new ATOM 0 HB THR A 97 -18.703 12.713 -24.408 1.00 14.11 H new ATOM 0 HG1 THR A 97 -19.138 11.413 -22.331 1.00 51.44 H new ATOM 0 HG21 THR A 97 -16.265 12.356 -24.284 1.00 35.24 H new ATOM 0 HG22 THR A 97 -16.683 14.084 -24.196 1.00 35.24 H new ATOM 0 HG23 THR A 97 -16.226 13.203 -22.719 1.00 35.24 H new ATOM 1547 N LYS A 98 -19.757 15.502 -24.124 1.00 32.42 N ATOM 1548 CA LYS A 98 -19.760 16.766 -24.852 1.00 41.41 C ATOM 1549 C LYS A 98 -19.856 17.947 -23.891 1.00 53.21 C ATOM 1550 O LYS A 98 -19.085 18.899 -23.987 1.00 35.54 O ATOM 1551 CB LYS A 98 -20.927 16.804 -25.841 1.00 61.32 C ATOM 1552 CG LYS A 98 -20.649 17.642 -27.077 1.00 23.55 C ATOM 1553 CD LYS A 98 -21.936 18.132 -27.720 1.00 32.43 C ATOM 1554 CE LYS A 98 -22.085 19.640 -27.589 1.00 72.22 C ATOM 1555 NZ LYS A 98 -23.407 20.112 -28.085 1.00 65.51 N1+ ATOM 0 H LYS A 98 -20.558 14.902 -24.318 1.00 32.42 H new ATOM 0 HA LYS A 98 -18.822 16.843 -25.402 1.00 41.41 H new ATOM 0 HB2 LYS A 98 -21.165 15.786 -26.149 1.00 61.32 H new ATOM 0 HB3 LYS A 98 -21.808 17.199 -25.335 1.00 61.32 H new ATOM 0 HG2 LYS A 98 -20.028 18.496 -26.806 1.00 23.55 H new ATOM 0 HG3 LYS A 98 -20.083 17.052 -27.798 1.00 23.55 H new ATOM 0 HD2 LYS A 98 -21.946 17.854 -28.774 1.00 32.43 H new ATOM 0 HD3 LYS A 98 -22.788 17.639 -27.252 1.00 32.43 H new ATOM 0 HE2 LYS A 98 -21.965 19.927 -26.544 1.00 72.22 H new ATOM 0 HE3 LYS A 98 -21.290 20.133 -28.148 1.00 72.22 H new ATOM 0 HZ1 LYS A 98 -23.469 21.145 -27.979 1.00 65.51 H new ATOM 0 HZ2 LYS A 98 -23.511 19.861 -29.089 1.00 65.51 H new ATOM 0 HZ3 LYS A 98 -24.165 19.661 -27.535 1.00 65.51 H new ATOM 1569 N GLU A 99 -20.807 17.874 -22.965 1.00 22.23 N ATOM 1570 CA GLU A 99 -21.001 18.939 -21.986 1.00 63.35 C ATOM 1571 C GLU A 99 -19.708 19.225 -21.229 1.00 63.54 C ATOM 1572 O GLU A 99 -19.357 20.380 -20.992 1.00 31.31 O ATOM 1573 CB GLU A 99 -22.109 18.559 -21.001 1.00 30.12 C ATOM 1574 CG GLU A 99 -23.478 19.094 -21.389 1.00 35.01 C ATOM 1575 CD GLU A 99 -24.104 19.940 -20.297 1.00 41.31 C ATOM 1576 OE1 GLU A 99 -23.653 21.089 -20.104 1.00 41.54 O1- ATOM 1577 OE2 GLU A 99 -25.046 19.452 -19.636 1.00 32.44 O ATOM 0 H GLU A 99 -21.454 17.091 -22.872 1.00 22.23 H new ATOM 0 HA GLU A 99 -21.294 19.842 -22.522 1.00 63.35 H new ATOM 0 HB2 GLU A 99 -22.160 17.473 -20.926 1.00 30.12 H new ATOM 0 HB3 GLU A 99 -21.848 18.935 -20.011 1.00 30.12 H new ATOM 0 HG2 GLU A 99 -23.387 19.689 -22.298 1.00 35.01 H new ATOM 0 HG3 GLU A 99 -24.139 18.258 -21.620 1.00 35.01 H new ATOM 1584 N ALA A 100 -19.003 18.162 -20.852 1.00 34.04 N ATOM 1585 CA ALA A 100 -17.749 18.298 -20.123 1.00 34.44 C ATOM 1586 C ALA A 100 -16.702 19.026 -20.962 1.00 40.24 C ATOM 1587 O ALA A 100 -15.812 19.687 -20.425 1.00 72.53 O ATOM 1588 CB ALA A 100 -17.232 16.931 -19.701 1.00 20.52 C ATOM 0 H ALA A 100 -19.280 17.198 -21.040 1.00 34.04 H new ATOM 0 HA ALA A 100 -17.940 18.893 -19.230 1.00 34.44 H new ATOM 0 HB1 ALA A 100 -16.295 17.048 -19.157 1.00 20.52 H new ATOM 0 HB2 ALA A 100 -17.967 16.447 -19.057 1.00 20.52 H new ATOM 0 HB3 ALA A 100 -17.064 16.317 -20.586 1.00 20.52 H new ATOM 1594 N LEU A 101 -16.815 18.900 -22.279 1.00 51.54 N ATOM 1595 CA LEU A 101 -15.878 19.545 -23.192 1.00 21.11 C ATOM 1596 C LEU A 101 -16.124 21.050 -23.251 1.00 72.24 C ATOM 1597 O LEU A 101 -15.181 21.841 -23.275 1.00 2.43 O ATOM 1598 CB LEU A 101 -16.003 18.942 -24.592 1.00 62.45 C ATOM 1599 CG LEU A 101 -14.689 18.586 -25.290 1.00 20.14 C ATOM 1600 CD1 LEU A 101 -13.796 19.812 -25.401 1.00 11.22 C ATOM 1601 CD2 LEU A 101 -13.975 17.469 -24.545 1.00 10.54 C ATOM 0 H LEU A 101 -17.546 18.357 -22.739 1.00 51.54 H new ATOM 0 HA LEU A 101 -14.869 19.374 -22.818 1.00 21.11 H new ATOM 0 HB2 LEU A 101 -16.611 18.040 -24.524 1.00 62.45 H new ATOM 0 HB3 LEU A 101 -16.547 19.646 -25.222 1.00 62.45 H new ATOM 0 HG LEU A 101 -14.917 18.235 -26.297 1.00 20.14 H new ATOM 0 HD11 LEU A 101 -12.866 19.541 -25.900 1.00 11.22 H new ATOM 0 HD12 LEU A 101 -14.306 20.583 -25.979 1.00 11.22 H new ATOM 0 HD13 LEU A 101 -13.575 20.193 -24.404 1.00 11.22 H new ATOM 0 HD21 LEU A 101 -13.042 17.229 -25.056 1.00 10.54 H new ATOM 0 HD22 LEU A 101 -13.758 17.791 -23.527 1.00 10.54 H new ATOM 0 HD23 LEU A 101 -14.612 16.585 -24.518 1.00 10.54 H new ATOM 1613 N ASP A 102 -17.394 21.436 -23.272 1.00 13.13 N ATOM 1614 CA ASP A 102 -17.763 22.845 -23.324 1.00 12.33 C ATOM 1615 C ASP A 102 -17.361 23.561 -22.038 1.00 42.10 C ATOM 1616 O ASP A 102 -16.993 24.735 -22.056 1.00 51.11 O ATOM 1617 CB ASP A 102 -19.269 22.992 -23.554 1.00 73.42 C ATOM 1618 CG ASP A 102 -19.633 22.967 -25.026 1.00 24.34 C ATOM 1619 OD1 ASP A 102 -18.861 22.390 -25.819 1.00 53.43 O1- ATOM 1620 OD2 ASP A 102 -20.692 23.525 -25.384 1.00 72.33 O ATOM 0 H ASP A 102 -18.186 20.793 -23.254 1.00 13.13 H new ATOM 0 HA ASP A 102 -17.229 23.304 -24.156 1.00 12.33 H new ATOM 0 HB2 ASP A 102 -19.793 22.187 -23.039 1.00 73.42 H new ATOM 0 HB3 ASP A 102 -19.612 23.928 -23.113 1.00 73.42 H new ATOM 1625 N LYS A 103 -17.435 22.845 -20.921 1.00 45.22 N ATOM 1626 CA LYS A 103 -17.079 23.409 -19.625 1.00 4.33 C ATOM 1627 C LYS A 103 -15.580 23.673 -19.539 1.00 33.34 C ATOM 1628 O LYS A 103 -15.152 24.803 -19.300 1.00 5.03 O ATOM 1629 CB LYS A 103 -17.505 22.463 -18.499 1.00 20.42 C ATOM 1630 CG LYS A 103 -18.562 23.050 -17.579 1.00 61.22 C ATOM 1631 CD LYS A 103 -19.963 22.660 -18.019 1.00 0.33 C ATOM 1632 CE LYS A 103 -20.723 21.962 -16.901 1.00 62.34 C ATOM 1633 NZ LYS A 103 -21.098 22.904 -15.811 1.00 35.45 N1+ ATOM 0 H LYS A 103 -17.739 21.872 -20.888 1.00 45.22 H new ATOM 0 HA LYS A 103 -17.605 24.357 -19.514 1.00 4.33 H new ATOM 0 HB2 LYS A 103 -17.887 21.540 -18.936 1.00 20.42 H new ATOM 0 HB3 LYS A 103 -16.628 22.197 -17.908 1.00 20.42 H new ATOM 0 HG2 LYS A 103 -18.391 22.705 -16.559 1.00 61.22 H new ATOM 0 HG3 LYS A 103 -18.473 24.136 -17.567 1.00 61.22 H new ATOM 0 HD2 LYS A 103 -20.509 23.550 -18.331 1.00 0.33 H new ATOM 0 HD3 LYS A 103 -19.904 22.002 -18.886 1.00 0.33 H new ATOM 0 HE2 LYS A 103 -21.623 21.500 -17.307 1.00 62.34 H new ATOM 0 HE3 LYS A 103 -20.110 21.159 -16.492 1.00 62.34 H new ATOM 0 HZ1 LYS A 103 -21.614 22.389 -15.069 1.00 35.45 H new ATOM 0 HZ2 LYS A 103 -20.238 23.326 -15.406 1.00 35.45 H new ATOM 0 HZ3 LYS A 103 -21.704 23.656 -16.196 1.00 35.45 H new ATOM 1647 N ILE A 104 -14.786 22.627 -19.739 1.00 62.24 N ATOM 1648 CA ILE A 104 -13.335 22.748 -19.687 1.00 34.34 C ATOM 1649 C ILE A 104 -12.835 23.794 -20.679 1.00 42.43 C ATOM 1650 O ILE A 104 -11.787 24.406 -20.473 1.00 63.43 O ATOM 1651 CB ILE A 104 -12.646 21.404 -19.986 1.00 43.23 C ATOM 1652 CG1 ILE A 104 -13.127 20.330 -19.007 1.00 12.13 C ATOM 1653 CG2 ILE A 104 -11.134 21.555 -19.914 1.00 43.32 C ATOM 1654 CD1 ILE A 104 -12.764 18.923 -19.426 1.00 44.21 C ATOM 0 H ILE A 104 -15.124 21.685 -19.939 1.00 62.24 H new ATOM 0 HA ILE A 104 -13.081 23.059 -18.674 1.00 34.34 H new ATOM 0 HB ILE A 104 -12.912 21.094 -20.996 1.00 43.23 H new ATOM 0 HG12 ILE A 104 -12.700 20.529 -18.024 1.00 12.13 H new ATOM 0 HG13 ILE A 104 -14.210 20.402 -18.905 1.00 12.13 H new ATOM 0 HG21 ILE A 104 -10.662 20.596 -20.128 1.00 43.32 H new ATOM 0 HG22 ILE A 104 -10.807 22.292 -20.647 1.00 43.32 H new ATOM 0 HG23 ILE A 104 -10.848 21.885 -18.915 1.00 43.32 H new ATOM 0 HD11 ILE A 104 -13.137 18.215 -18.685 1.00 44.21 H new ATOM 0 HD12 ILE A 104 -13.213 18.705 -20.395 1.00 44.21 H new ATOM 0 HD13 ILE A 104 -11.680 18.834 -19.500 1.00 44.21 H new ATOM 1666 N GLU A 105 -13.592 23.993 -21.753 1.00 43.24 N ATOM 1667 CA GLU A 105 -13.226 24.965 -22.776 1.00 31.22 C ATOM 1668 C GLU A 105 -13.446 26.390 -22.275 1.00 63.22 C ATOM 1669 O GLU A 105 -12.582 27.252 -22.427 1.00 60.12 O ATOM 1670 CB GLU A 105 -14.039 24.729 -24.051 1.00 51.12 C ATOM 1671 CG GLU A 105 -13.258 24.028 -25.150 1.00 10.04 C ATOM 1672 CD GLU A 105 -13.840 24.277 -26.528 1.00 53.41 C ATOM 1673 OE1 GLU A 105 -14.442 25.351 -26.734 1.00 2.41 O1- ATOM 1674 OE2 GLU A 105 -13.692 23.396 -27.401 1.00 61.31 O ATOM 0 H GLU A 105 -14.462 23.494 -21.937 1.00 43.24 H new ATOM 0 HA GLU A 105 -12.167 24.836 -23.001 1.00 31.22 H new ATOM 0 HB2 GLU A 105 -14.919 24.134 -23.806 1.00 51.12 H new ATOM 0 HB3 GLU A 105 -14.397 25.688 -24.426 1.00 51.12 H new ATOM 0 HG2 GLU A 105 -12.223 24.369 -25.130 1.00 10.04 H new ATOM 0 HG3 GLU A 105 -13.244 22.956 -24.954 1.00 10.04 H new ATOM 1681 N GLU A 106 -14.611 26.628 -21.680 1.00 0.22 N ATOM 1682 CA GLU A 106 -14.945 27.948 -21.159 1.00 12.22 C ATOM 1683 C GLU A 106 -13.944 28.383 -20.093 1.00 54.10 C ATOM 1684 O GLU A 106 -13.563 29.550 -20.024 1.00 32.31 O ATOM 1685 CB GLU A 106 -16.359 27.948 -20.575 1.00 43.44 C ATOM 1686 CG GLU A 106 -17.452 28.049 -21.625 1.00 23.53 C ATOM 1687 CD GLU A 106 -18.274 29.316 -21.491 1.00 21.33 C ATOM 1688 OE1 GLU A 106 -17.726 30.408 -21.749 1.00 32.42 O ATOM 1689 OE2 GLU A 106 -19.465 29.217 -21.129 1.00 51.25 O1- ATOM 0 H GLU A 106 -15.338 25.925 -21.547 1.00 0.22 H new ATOM 0 HA GLU A 106 -14.900 28.657 -21.986 1.00 12.22 H new ATOM 0 HB2 GLU A 106 -16.505 27.035 -19.998 1.00 43.44 H new ATOM 0 HB3 GLU A 106 -16.456 28.783 -19.881 1.00 43.44 H new ATOM 0 HG2 GLU A 106 -17.002 28.016 -22.617 1.00 23.53 H new ATOM 0 HG3 GLU A 106 -18.110 27.183 -21.544 1.00 23.53 H new ATOM 1696 N GLU A 107 -13.522 27.433 -19.263 1.00 72.32 N ATOM 1697 CA GLU A 107 -12.565 27.718 -18.201 1.00 44.51 C ATOM 1698 C GLU A 107 -11.262 28.266 -18.774 1.00 34.44 C ATOM 1699 O GLU A 107 -10.578 29.065 -18.133 1.00 63.14 O ATOM 1700 CB GLU A 107 -12.284 26.454 -17.385 1.00 2.42 C ATOM 1701 CG GLU A 107 -12.237 26.696 -15.886 1.00 10.52 C ATOM 1702 CD GLU A 107 -10.874 27.159 -15.411 1.00 71.11 C ATOM 1703 OE1 GLU A 107 -10.550 28.349 -15.607 1.00 5.31 O ATOM 1704 OE2 GLU A 107 -10.129 26.331 -14.845 1.00 32.41 O1- ATOM 0 H GLU A 107 -13.828 26.461 -19.306 1.00 72.32 H new ATOM 0 HA GLU A 107 -13.001 28.475 -17.548 1.00 44.51 H new ATOM 0 HB2 GLU A 107 -13.054 25.713 -17.601 1.00 2.42 H new ATOM 0 HB3 GLU A 107 -11.333 26.028 -17.706 1.00 2.42 H new ATOM 0 HG2 GLU A 107 -12.984 27.444 -15.619 1.00 10.52 H new ATOM 0 HG3 GLU A 107 -12.506 25.777 -15.365 1.00 10.52 H new ATOM 1711 N GLN A 108 -10.924 27.831 -19.983 1.00 51.05 N ATOM 1712 CA GLN A 108 -9.702 28.276 -20.643 1.00 4.41 C ATOM 1713 C GLN A 108 -9.879 29.673 -21.228 1.00 21.50 C ATOM 1714 O GLN A 108 -8.915 30.425 -21.366 1.00 13.13 O ATOM 1715 CB GLN A 108 -9.306 27.294 -21.746 1.00 54.51 C ATOM 1716 CG GLN A 108 -9.018 25.891 -21.236 1.00 64.42 C ATOM 1717 CD GLN A 108 -8.954 24.867 -22.353 1.00 42.03 C ATOM 1718 OE1 GLN A 108 -9.511 25.072 -23.432 1.00 42.43 O ATOM 1719 NE2 GLN A 108 -8.271 23.757 -22.099 1.00 43.14 N ATOM 0 H GLN A 108 -11.480 27.170 -20.526 1.00 51.05 H new ATOM 0 HA GLN A 108 -8.908 28.312 -19.897 1.00 4.41 H new ATOM 0 HB2 GLN A 108 -10.107 27.246 -22.484 1.00 54.51 H new ATOM 0 HB3 GLN A 108 -8.423 27.674 -22.259 1.00 54.51 H new ATOM 0 HG2 GLN A 108 -8.072 25.892 -20.694 1.00 64.42 H new ATOM 0 HG3 GLN A 108 -9.792 25.601 -20.525 1.00 64.42 H new ATOM 0 HE21 GLN A 108 -7.825 23.629 -21.191 1.00 43.14 H new ATOM 0 HE22 GLN A 108 -8.192 23.032 -22.812 1.00 43.14 H new ATOM 1728 N ASN A 109 -11.116 30.014 -21.572 1.00 23.31 N ATOM 1729 CA ASN A 109 -11.419 31.320 -22.144 1.00 21.42 C ATOM 1730 C ASN A 109 -11.381 32.406 -21.072 1.00 22.01 C ATOM 1731 O ASN A 109 -10.787 33.466 -21.266 1.00 31.44 O ATOM 1732 CB ASN A 109 -12.793 31.300 -22.818 1.00 12.03 C ATOM 1733 CG ASN A 109 -12.737 31.769 -24.258 1.00 4.04 C ATOM 1734 OD1 ASN A 109 -12.800 32.967 -24.535 1.00 20.11 O ATOM 1735 ND2 ASN A 109 -12.620 30.825 -25.184 1.00 14.31 N ATOM 0 H ASN A 109 -11.926 29.403 -21.464 1.00 23.31 H new ATOM 0 HA ASN A 109 -10.659 31.546 -22.892 1.00 21.42 H new ATOM 0 HB2 ASN A 109 -13.197 30.288 -22.784 1.00 12.03 H new ATOM 0 HB3 ASN A 109 -13.479 31.936 -22.258 1.00 12.03 H new ATOM 0 HD21 ASN A 109 -12.579 31.081 -26.171 1.00 14.31 H new ATOM 0 HD22 ASN A 109 -12.571 29.844 -24.909 1.00 14.31 H new ATOM 1742 N LYS A 110 -12.020 32.133 -19.940 1.00 42.34 N ATOM 1743 CA LYS A 110 -12.060 33.084 -18.835 1.00 73.13 C ATOM 1744 C LYS A 110 -10.650 33.421 -18.357 1.00 45.14 C ATOM 1745 O LYS A 110 -10.351 34.572 -18.039 1.00 62.54 O ATOM 1746 CB LYS A 110 -12.880 32.515 -17.675 1.00 10.21 C ATOM 1747 CG LYS A 110 -14.176 33.266 -17.422 1.00 11.10 C ATOM 1748 CD LYS A 110 -15.091 32.497 -16.485 1.00 44.51 C ATOM 1749 CE LYS A 110 -15.825 33.429 -15.532 1.00 2.22 C ATOM 1750 NZ LYS A 110 -16.972 32.752 -14.866 1.00 41.12 N1+ ATOM 0 H LYS A 110 -12.518 31.260 -19.763 1.00 42.34 H new ATOM 0 HA LYS A 110 -12.533 33.999 -19.192 1.00 73.13 H new ATOM 0 HB2 LYS A 110 -13.110 31.470 -17.882 1.00 10.21 H new ATOM 0 HB3 LYS A 110 -12.275 32.535 -16.769 1.00 10.21 H new ATOM 0 HG2 LYS A 110 -13.954 34.244 -16.994 1.00 11.10 H new ATOM 0 HG3 LYS A 110 -14.687 33.441 -18.369 1.00 11.10 H new ATOM 0 HD2 LYS A 110 -15.815 31.928 -17.068 1.00 44.51 H new ATOM 0 HD3 LYS A 110 -14.506 31.777 -15.913 1.00 44.51 H new ATOM 0 HE2 LYS A 110 -15.131 33.795 -14.776 1.00 2.22 H new ATOM 0 HE3 LYS A 110 -16.186 34.299 -16.081 1.00 2.22 H new ATOM 0 HZ1 LYS A 110 -17.445 33.421 -14.225 1.00 41.12 H new ATOM 0 HZ2 LYS A 110 -17.648 32.425 -15.586 1.00 41.12 H new ATOM 0 HZ3 LYS A 110 -16.625 31.937 -14.321 1.00 41.12 H new ATOM 1764 N SER A 111 -9.788 32.410 -18.310 1.00 44.33 N ATOM 1765 CA SER A 111 -8.412 32.600 -17.869 1.00 12.40 C ATOM 1766 C SER A 111 -7.660 33.529 -18.816 1.00 63.42 C ATOM 1767 O SER A 111 -6.731 34.227 -18.413 1.00 34.42 O ATOM 1768 CB SER A 111 -7.692 31.252 -17.779 1.00 64.42 C ATOM 1769 OG SER A 111 -6.665 31.285 -16.804 1.00 14.22 O ATOM 0 H SER A 111 -10.019 31.452 -18.572 1.00 44.33 H new ATOM 0 HA SER A 111 -8.434 33.059 -16.881 1.00 12.40 H new ATOM 0 HB2 SER A 111 -8.409 30.470 -17.530 1.00 64.42 H new ATOM 0 HB3 SER A 111 -7.267 30.998 -18.750 1.00 64.42 H new ATOM 0 HG SER A 111 -6.222 30.412 -16.766 1.00 14.22 H new ATOM 1775 N LYS A 112 -8.071 33.531 -20.080 1.00 21.12 N ATOM 1776 CA LYS A 112 -7.440 34.375 -21.089 1.00 72.03 C ATOM 1777 C LYS A 112 -7.703 35.850 -20.806 1.00 34.21 C ATOM 1778 O LYS A 112 -6.801 36.683 -20.906 1.00 20.32 O ATOM 1779 CB LYS A 112 -7.956 34.011 -22.483 1.00 75.31 C ATOM 1780 CG LYS A 112 -6.855 33.627 -23.457 1.00 64.51 C ATOM 1781 CD LYS A 112 -7.399 32.813 -24.619 1.00 44.35 C ATOM 1782 CE LYS A 112 -7.856 33.707 -25.761 1.00 4.41 C ATOM 1783 NZ LYS A 112 -7.432 33.176 -27.086 1.00 32.43 N1+ ATOM 0 H LYS A 112 -8.838 32.958 -20.430 1.00 21.12 H new ATOM 0 HA LYS A 112 -6.364 34.203 -21.051 1.00 72.03 H new ATOM 0 HB2 LYS A 112 -8.659 33.182 -22.396 1.00 75.31 H new ATOM 0 HB3 LYS A 112 -8.510 34.857 -22.889 1.00 75.31 H new ATOM 0 HG2 LYS A 112 -6.373 34.528 -23.837 1.00 64.51 H new ATOM 0 HG3 LYS A 112 -6.090 33.052 -22.935 1.00 64.51 H new ATOM 0 HD2 LYS A 112 -6.630 32.129 -24.977 1.00 44.35 H new ATOM 0 HD3 LYS A 112 -8.235 32.202 -24.277 1.00 44.35 H new ATOM 0 HE2 LYS A 112 -8.942 33.799 -25.738 1.00 4.41 H new ATOM 0 HE3 LYS A 112 -7.448 34.708 -25.624 1.00 4.41 H new ATOM 0 HZ1 LYS A 112 -7.763 33.814 -27.838 1.00 32.43 H new ATOM 0 HZ2 LYS A 112 -6.394 33.112 -27.118 1.00 32.43 H new ATOM 0 HZ3 LYS A 112 -7.842 32.231 -27.229 1.00 32.43 H new ATOM 1797 N LYS A 113 -8.944 36.168 -20.452 1.00 54.04 N ATOM 1798 CA LYS A 113 -9.326 37.543 -20.153 1.00 54.54 C ATOM 1799 C LYS A 113 -8.603 38.049 -18.908 1.00 21.10 C ATOM 1800 O LYS A 113 -8.361 39.248 -18.762 1.00 23.51 O ATOM 1801 CB LYS A 113 -10.840 37.640 -19.951 1.00 14.24 C ATOM 1802 CG LYS A 113 -11.458 38.879 -20.577 1.00 54.23 C ATOM 1803 CD LYS A 113 -12.845 38.592 -21.126 1.00 34.34 C ATOM 1804 CE LYS A 113 -13.668 39.866 -21.251 1.00 63.35 C ATOM 1805 NZ LYS A 113 -14.938 39.783 -20.478 1.00 73.23 N1+ ATOM 0 H LYS A 113 -9.702 35.492 -20.365 1.00 54.04 H new ATOM 0 HA LYS A 113 -9.037 38.167 -20.999 1.00 54.54 H new ATOM 0 HB2 LYS A 113 -11.312 36.754 -20.376 1.00 14.24 H new ATOM 0 HB3 LYS A 113 -11.057 37.636 -18.883 1.00 14.24 H new ATOM 0 HG2 LYS A 113 -11.517 39.673 -19.833 1.00 54.23 H new ATOM 0 HG3 LYS A 113 -10.816 39.242 -21.380 1.00 54.23 H new ATOM 0 HD2 LYS A 113 -12.760 38.115 -22.102 1.00 34.34 H new ATOM 0 HD3 LYS A 113 -13.359 37.888 -20.471 1.00 34.34 H new ATOM 0 HE2 LYS A 113 -13.082 40.714 -20.896 1.00 63.35 H new ATOM 0 HE3 LYS A 113 -13.893 40.051 -22.301 1.00 63.35 H new ATOM 0 HZ1 LYS A 113 -15.470 40.670 -20.588 1.00 73.23 H new ATOM 0 HZ2 LYS A 113 -15.509 38.990 -20.833 1.00 73.23 H new ATOM 0 HZ3 LYS A 113 -14.723 39.632 -19.472 1.00 73.23 H new ATOM 1819 N LYS A 114 -8.259 37.129 -18.013 1.00 23.33 N ATOM 1820 CA LYS A 114 -7.561 37.481 -16.782 1.00 42.51 C ATOM 1821 C LYS A 114 -6.117 37.880 -17.070 1.00 44.34 C ATOM 1822 O LYS A 114 -5.526 38.675 -16.341 1.00 23.22 O ATOM 1823 CB LYS A 114 -7.592 36.307 -15.800 1.00 72.45 C ATOM 1824 CG LYS A 114 -8.880 36.216 -15.001 1.00 62.12 C ATOM 1825 CD LYS A 114 -8.638 35.634 -13.618 1.00 24.33 C ATOM 1826 CE LYS A 114 -8.908 36.658 -12.527 1.00 22.22 C ATOM 1827 NZ LYS A 114 -8.512 36.155 -11.183 1.00 64.04 N1+ ATOM 0 H LYS A 114 -8.452 36.133 -18.117 1.00 23.33 H new ATOM 0 HA LYS A 114 -8.072 38.334 -16.335 1.00 42.51 H new ATOM 0 HB2 LYS A 114 -7.451 35.378 -16.353 1.00 72.45 H new ATOM 0 HB3 LYS A 114 -6.753 36.399 -15.111 1.00 72.45 H new ATOM 0 HG2 LYS A 114 -9.322 37.208 -14.907 1.00 62.12 H new ATOM 0 HG3 LYS A 114 -9.599 35.596 -15.537 1.00 62.12 H new ATOM 0 HD2 LYS A 114 -9.280 34.766 -13.470 1.00 24.33 H new ATOM 0 HD3 LYS A 114 -7.608 35.285 -13.544 1.00 24.33 H new ATOM 0 HE2 LYS A 114 -8.362 37.575 -12.747 1.00 22.22 H new ATOM 0 HE3 LYS A 114 -9.968 36.912 -12.522 1.00 22.22 H new ATOM 0 HZ1 LYS A 114 -8.712 36.882 -10.467 1.00 64.04 H new ATOM 0 HZ2 LYS A 114 -9.052 35.294 -10.962 1.00 64.04 H new ATOM 0 HZ3 LYS A 114 -7.495 35.937 -11.180 1.00 64.04 H new ATOM 1841 N ALA A 115 -5.556 37.322 -18.138 1.00 21.44 N ATOM 1842 CA ALA A 115 -4.183 37.622 -18.524 1.00 2.41 C ATOM 1843 C ALA A 115 -4.143 38.524 -19.753 1.00 73.14 C ATOM 1844 O ALA A 115 -3.259 38.395 -20.599 1.00 61.54 O ATOM 1845 CB ALA A 115 -3.415 36.335 -18.786 1.00 25.01 C ATOM 0 H ALA A 115 -6.031 36.660 -18.751 1.00 21.44 H new ATOM 0 HA ALA A 115 -3.708 38.154 -17.700 1.00 2.41 H new ATOM 0 HB1 ALA A 115 -2.391 36.574 -19.073 1.00 25.01 H new ATOM 0 HB2 ALA A 115 -3.405 35.727 -17.882 1.00 25.01 H new ATOM 0 HB3 ALA A 115 -3.898 35.781 -19.591 1.00 25.01 H new ATOM 1851 N GLN A 116 -5.105 39.436 -19.844 1.00 12.34 N ATOM 1852 CA GLN A 116 -5.180 40.359 -20.971 1.00 61.24 C ATOM 1853 C GLN A 116 -6.009 41.587 -20.615 1.00 11.05 C ATOM 1854 O GLN A 116 -6.659 42.179 -21.477 1.00 51.41 O ATOM 1855 CB GLN A 116 -5.780 39.658 -22.191 1.00 43.41 C ATOM 1856 CG GLN A 116 -5.015 39.915 -23.478 1.00 35.42 C ATOM 1857 CD GLN A 116 -5.917 39.959 -24.696 1.00 25.23 C ATOM 1858 OE1 GLN A 116 -6.213 41.030 -25.227 1.00 34.13 O ATOM 1859 NE2 GLN A 116 -6.361 38.791 -25.146 1.00 2.31 N ATOM 0 H GLN A 116 -5.844 39.556 -19.151 1.00 12.34 H new ATOM 0 HA GLN A 116 -4.168 40.685 -21.210 1.00 61.24 H new ATOM 0 HB2 GLN A 116 -5.810 38.585 -22.004 1.00 43.41 H new ATOM 0 HB3 GLN A 116 -6.811 39.988 -22.319 1.00 43.41 H new ATOM 0 HG2 GLN A 116 -4.478 40.860 -23.394 1.00 35.42 H new ATOM 0 HG3 GLN A 116 -4.267 39.134 -23.613 1.00 35.42 H new ATOM 0 HE21 GLN A 116 -6.091 37.927 -24.676 1.00 2.31 H new ATOM 0 HE22 GLN A 116 -6.972 38.758 -25.962 1.00 2.31 H new ATOM 1868 N GLN A 117 -5.983 41.965 -19.340 1.00 63.54 N ATOM 1869 CA GLN A 117 -6.734 43.123 -18.872 1.00 42.14 C ATOM 1870 C GLN A 117 -6.183 44.410 -19.476 1.00 11.24 C ATOM 1871 O GLN A 117 -6.929 45.353 -19.739 1.00 15.22 O ATOM 1872 CB GLN A 117 -6.690 43.201 -17.345 1.00 4.04 C ATOM 1873 CG GLN A 117 -5.329 43.597 -16.795 1.00 63.43 C ATOM 1874 CD GLN A 117 -5.164 45.098 -16.671 1.00 74.35 C ATOM 1875 OE1 GLN A 117 -6.117 45.857 -16.848 1.00 61.02 O ATOM 1876 NE2 GLN A 117 -3.947 45.536 -16.366 1.00 62.21 N ATOM 0 H GLN A 117 -5.450 41.486 -18.614 1.00 63.54 H new ATOM 0 HA GLN A 117 -7.769 43.008 -19.193 1.00 42.14 H new ATOM 0 HB2 GLN A 117 -7.434 43.921 -17.005 1.00 4.04 H new ATOM 0 HB3 GLN A 117 -6.972 42.233 -16.932 1.00 4.04 H new ATOM 0 HG2 GLN A 117 -5.189 43.138 -15.816 1.00 63.43 H new ATOM 0 HG3 GLN A 117 -4.549 43.202 -17.446 1.00 63.43 H new ATOM 0 HE21 GLN A 117 -3.186 44.871 -16.228 1.00 62.21 H new ATOM 0 HE22 GLN A 117 -3.774 46.537 -16.270 1.00 62.21 H new ATOM 1885 N ALA A 118 -4.871 44.443 -19.691 1.00 44.44 N ATOM 1886 CA ALA A 118 -4.220 45.613 -20.265 1.00 22.44 C ATOM 1887 C ALA A 118 -4.687 45.855 -21.697 1.00 44.13 C ATOM 1888 O ALA A 118 -5.027 46.978 -22.068 1.00 60.25 O ATOM 1889 CB ALA A 118 -2.708 45.451 -20.221 1.00 10.35 C ATOM 0 H ALA A 118 -4.239 43.672 -19.476 1.00 44.44 H new ATOM 0 HA ALA A 118 -4.499 46.482 -19.668 1.00 22.44 H new ATOM 0 HB1 ALA A 118 -2.235 46.333 -20.653 1.00 10.35 H new ATOM 0 HB2 ALA A 118 -2.384 45.336 -19.187 1.00 10.35 H new ATOM 0 HB3 ALA A 118 -2.420 44.568 -20.792 1.00 10.35 H new ATOM 1895 N ALA A 119 -4.700 44.793 -22.497 1.00 10.51 N ATOM 1896 CA ALA A 119 -5.126 44.891 -23.887 1.00 65.35 C ATOM 1897 C ALA A 119 -6.594 44.504 -24.039 1.00 30.43 C ATOM 1898 O ALA A 119 -6.951 43.719 -24.917 1.00 23.41 O ATOM 1899 CB ALA A 119 -4.254 44.011 -24.769 1.00 73.35 C ATOM 0 H ALA A 119 -4.421 43.856 -22.206 1.00 10.51 H new ATOM 0 HA ALA A 119 -5.015 45.928 -24.203 1.00 65.35 H new ATOM 0 HB1 ALA A 119 -4.583 44.094 -25.805 1.00 73.35 H new ATOM 0 HB2 ALA A 119 -3.216 44.333 -24.692 1.00 73.35 H new ATOM 0 HB3 ALA A 119 -4.337 42.974 -24.444 1.00 73.35 H new ATOM 1905 N ALA A 120 -7.440 45.062 -23.179 1.00 54.24 N ATOM 1906 CA ALA A 120 -8.869 44.776 -23.219 1.00 34.31 C ATOM 1907 C ALA A 120 -9.669 45.891 -22.556 1.00 23.14 C ATOM 1908 O ALA A 120 -10.738 45.651 -21.993 1.00 23.35 O ATOM 1909 CB ALA A 120 -9.160 43.443 -22.548 1.00 70.11 C ATOM 0 H ALA A 120 -7.161 45.714 -22.446 1.00 54.24 H new ATOM 0 HA ALA A 120 -9.174 44.717 -24.264 1.00 34.31 H new ATOM 0 HB1 ALA A 120 -10.231 43.243 -22.586 1.00 70.11 H new ATOM 0 HB2 ALA A 120 -8.624 42.649 -23.068 1.00 70.11 H new ATOM 0 HB3 ALA A 120 -8.834 43.480 -21.509 1.00 70.11 H new ATOM 1915 N ASP A 121 -9.146 47.111 -22.624 1.00 62.11 N ATOM 1916 CA ASP A 121 -9.814 48.263 -22.029 1.00 70.02 C ATOM 1917 C ASP A 121 -9.638 49.502 -22.902 1.00 22.42 C ATOM 1918 O ASP A 121 -9.175 50.543 -22.436 1.00 12.42 O ATOM 1919 CB ASP A 121 -9.264 48.530 -20.627 1.00 61.13 C ATOM 1920 CG ASP A 121 -10.310 49.114 -19.697 1.00 32.33 C ATOM 1921 OD1 ASP A 121 -10.995 50.077 -20.103 1.00 62.34 O ATOM 1922 OD2 ASP A 121 -10.444 48.608 -18.564 1.00 15.21 O1- ATOM 0 H ASP A 121 -8.262 47.327 -23.085 1.00 62.11 H new ATOM 0 HA ASP A 121 -10.878 48.039 -21.957 1.00 70.02 H new ATOM 0 HB2 ASP A 121 -8.886 47.599 -20.205 1.00 61.13 H new ATOM 0 HB3 ASP A 121 -8.419 49.216 -20.696 1.00 61.13 H new ATOM 1927 N THR A 122 -10.010 49.383 -24.172 1.00 64.43 N ATOM 1928 CA THR A 122 -9.893 50.491 -25.111 1.00 75.42 C ATOM 1929 C THR A 122 -10.636 51.721 -24.606 1.00 5.10 C ATOM 1930 O THR A 122 -11.861 51.714 -24.490 1.00 24.32 O ATOM 1931 CB THR A 122 -10.437 50.111 -26.501 1.00 51.22 C ATOM 1932 OG1 THR A 122 -11.782 49.633 -26.386 1.00 74.04 O ATOM 1933 CG2 THR A 122 -9.568 49.044 -27.150 1.00 14.41 C ATOM 0 H THR A 122 -10.396 48.529 -24.575 1.00 64.43 H new ATOM 0 HA THR A 122 -8.831 50.721 -25.196 1.00 75.42 H new ATOM 0 HB THR A 122 -10.420 51.002 -27.129 1.00 51.22 H new ATOM 0 HG1 THR A 122 -12.233 50.098 -25.650 1.00 74.04 H new ATOM 0 HG21 THR A 122 -9.972 48.792 -28.130 1.00 14.41 H new ATOM 0 HG22 THR A 122 -8.552 49.421 -27.263 1.00 14.41 H new ATOM 0 HG23 THR A 122 -9.557 48.153 -26.523 1.00 14.41 H new ATOM 1941 N GLY A 123 -9.889 52.778 -24.306 1.00 33.34 N ATOM 1942 CA GLY A 123 -10.495 54.002 -23.816 1.00 23.34 C ATOM 1943 C GLY A 123 -11.275 54.733 -24.891 1.00 23.24 C ATOM 1944 O GLY A 123 -10.762 55.660 -25.518 1.00 45.34 O ATOM 0 H GLY A 123 -8.873 52.809 -24.394 1.00 33.34 H new ATOM 0 HA2 GLY A 123 -11.160 53.767 -22.985 1.00 23.34 H new ATOM 0 HA3 GLY A 123 -9.717 54.658 -23.426 1.00 23.34 H new ATOM 1948 N ASN A 124 -12.519 54.316 -25.107 1.00 53.13 N ATOM 1949 CA ASN A 124 -13.369 54.936 -26.116 1.00 40.14 C ATOM 1950 C ASN A 124 -14.804 54.430 -26.003 1.00 13.21 C ATOM 1951 O ASN A 124 -15.076 53.457 -25.301 1.00 51.15 O ATOM 1952 CB ASN A 124 -12.825 54.650 -27.517 1.00 23.34 C ATOM 1953 CG ASN A 124 -12.627 55.915 -28.329 1.00 35.23 C ATOM 1954 OD1 ASN A 124 -13.590 56.525 -28.794 1.00 15.24 O ATOM 1955 ND2 ASN A 124 -11.372 56.316 -28.503 1.00 0.42 N ATOM 0 H ASN A 124 -12.960 53.551 -24.596 1.00 53.13 H new ATOM 0 HA ASN A 124 -13.367 56.013 -25.945 1.00 40.14 H new ATOM 0 HB2 ASN A 124 -11.875 54.122 -27.434 1.00 23.34 H new ATOM 0 HB3 ASN A 124 -13.513 53.988 -28.043 1.00 23.34 H new ATOM 0 HD21 ASN A 124 -11.176 57.161 -29.040 1.00 0.42 H new ATOM 0 HD22 ASN A 124 -10.604 55.779 -28.099 1.00 0.42 H new ATOM 1962 N ASN A 125 -15.718 55.099 -26.698 1.00 63.44 N ATOM 1963 CA ASN A 125 -17.126 54.717 -26.676 1.00 11.45 C ATOM 1964 C ASN A 125 -17.308 53.282 -27.163 1.00 3.45 C ATOM 1965 O ASN A 125 -16.982 52.957 -28.304 1.00 21.11 O ATOM 1966 CB ASN A 125 -17.948 55.671 -27.545 1.00 42.15 C ATOM 1967 CG ASN A 125 -18.691 56.707 -26.723 1.00 51.12 C ATOM 1968 OD1 ASN A 125 -19.407 56.369 -25.780 1.00 11.05 O ATOM 1969 ND2 ASN A 125 -18.524 57.975 -27.079 1.00 22.13 N ATOM 0 H ASN A 125 -15.509 55.908 -27.283 1.00 63.44 H new ATOM 0 HA ASN A 125 -17.478 54.780 -25.646 1.00 11.45 H new ATOM 0 HB2 ASN A 125 -17.288 56.176 -28.250 1.00 42.15 H new ATOM 0 HB3 ASN A 125 -18.664 55.097 -28.134 1.00 42.15 H new ATOM 0 HD21 ASN A 125 -18.999 58.716 -26.564 1.00 22.13 H new ATOM 0 HD22 ASN A 125 -17.921 58.208 -27.868 1.00 22.13 H new ATOM 1976 N SER A 126 -17.832 52.429 -26.289 1.00 34.25 N ATOM 1977 CA SER A 126 -18.055 51.029 -26.628 1.00 52.25 C ATOM 1978 C SER A 126 -19.311 50.498 -25.944 1.00 53.40 C ATOM 1979 O SER A 126 -20.000 51.230 -25.235 1.00 4.30 O ATOM 1980 CB SER A 126 -16.845 50.184 -26.223 1.00 33.35 C ATOM 1981 OG SER A 126 -15.934 50.940 -25.442 1.00 64.43 O ATOM 0 H SER A 126 -18.110 52.683 -25.341 1.00 34.25 H new ATOM 0 HA SER A 126 -18.192 50.960 -27.707 1.00 52.25 H new ATOM 0 HB2 SER A 126 -17.178 49.313 -25.658 1.00 33.35 H new ATOM 0 HB3 SER A 126 -16.342 49.812 -27.116 1.00 33.35 H new ATOM 0 HG SER A 126 -15.640 51.725 -25.950 1.00 64.43 H new ATOM 1987 N GLN A 127 -19.600 49.219 -26.161 1.00 63.35 N ATOM 1988 CA GLN A 127 -20.773 48.590 -25.566 1.00 51.33 C ATOM 1989 C GLN A 127 -20.571 48.366 -24.071 1.00 65.30 C ATOM 1990 O GLN A 127 -19.588 47.756 -23.651 1.00 31.34 O ATOM 1991 CB GLN A 127 -21.069 47.257 -26.258 1.00 3.44 C ATOM 1992 CG GLN A 127 -22.553 46.995 -26.462 1.00 53.20 C ATOM 1993 CD GLN A 127 -23.027 47.377 -27.851 1.00 12.34 C ATOM 1994 OE1 GLN A 127 -22.997 46.564 -28.775 1.00 30.43 O ATOM 1995 NE2 GLN A 127 -23.470 48.620 -28.004 1.00 52.30 N ATOM 0 H GLN A 127 -19.038 48.598 -26.744 1.00 63.35 H new ATOM 0 HA GLN A 127 -21.622 49.259 -25.703 1.00 51.33 H new ATOM 0 HB2 GLN A 127 -20.569 47.241 -27.226 1.00 3.44 H new ATOM 0 HB3 GLN A 127 -20.643 46.447 -25.666 1.00 3.44 H new ATOM 0 HG2 GLN A 127 -22.759 45.939 -26.290 1.00 53.20 H new ATOM 0 HG3 GLN A 127 -23.122 47.556 -25.721 1.00 53.20 H new ATOM 0 HE21 GLN A 127 -23.477 49.260 -27.210 1.00 52.30 H new ATOM 0 HE22 GLN A 127 -23.803 48.934 -28.915 1.00 52.30 H new ATOM 2004 N VAL A 128 -21.510 48.863 -23.271 1.00 64.04 N ATOM 2005 CA VAL A 128 -21.436 48.716 -21.823 1.00 64.02 C ATOM 2006 C VAL A 128 -22.487 47.735 -21.315 1.00 41.12 C ATOM 2007 O VAL A 128 -23.570 47.619 -21.887 1.00 64.12 O ATOM 2008 CB VAL A 128 -21.627 50.069 -21.112 1.00 55.03 C ATOM 2009 CG1 VAL A 128 -23.030 50.605 -21.351 1.00 10.22 C ATOM 2010 CG2 VAL A 128 -21.346 49.931 -19.623 1.00 35.33 C ATOM 0 H VAL A 128 -22.330 49.371 -23.602 1.00 64.04 H new ATOM 0 HA VAL A 128 -20.443 48.330 -21.594 1.00 64.02 H new ATOM 0 HB VAL A 128 -20.916 50.783 -21.529 1.00 55.03 H new ATOM 0 HG11 VAL A 128 -23.146 51.561 -20.841 1.00 10.22 H new ATOM 0 HG12 VAL A 128 -23.190 50.742 -22.420 1.00 10.22 H new ATOM 0 HG13 VAL A 128 -23.761 49.896 -20.963 1.00 10.22 H new ATOM 0 HG21 VAL A 128 -21.485 50.896 -19.135 1.00 35.33 H new ATOM 0 HG22 VAL A 128 -22.031 49.203 -19.189 1.00 35.33 H new ATOM 0 HG23 VAL A 128 -20.319 49.595 -19.476 1.00 35.33 H new ATOM 2020 N SER A 129 -22.159 47.031 -20.236 1.00 64.34 N ATOM 2021 CA SER A 129 -23.074 46.056 -19.652 1.00 34.34 C ATOM 2022 C SER A 129 -23.709 46.604 -18.378 1.00 45.14 C ATOM 2023 O SER A 129 -23.011 46.995 -17.444 1.00 10.53 O ATOM 2024 CB SER A 129 -22.335 44.752 -19.348 1.00 43.11 C ATOM 2025 OG SER A 129 -21.512 44.887 -18.202 1.00 71.32 O ATOM 0 H SER A 129 -21.267 47.117 -19.749 1.00 64.34 H new ATOM 0 HA SER A 129 -23.865 45.857 -20.375 1.00 34.34 H new ATOM 0 HB2 SER A 129 -23.056 43.950 -19.189 1.00 43.11 H new ATOM 0 HB3 SER A 129 -21.726 44.467 -20.206 1.00 43.11 H new ATOM 0 HG SER A 129 -21.696 45.745 -17.766 1.00 71.32 H new ATOM 2031 N GLN A 130 -25.038 46.628 -18.351 1.00 52.24 N ATOM 2032 CA GLN A 130 -25.769 47.127 -17.192 1.00 34.12 C ATOM 2033 C GLN A 130 -26.244 45.978 -16.310 1.00 64.31 C ATOM 2034 O GLN A 130 -27.413 45.915 -15.933 1.00 65.10 O ATOM 2035 CB GLN A 130 -26.964 47.970 -17.641 1.00 10.41 C ATOM 2036 CG GLN A 130 -27.945 47.213 -18.521 1.00 73.50 C ATOM 2037 CD GLN A 130 -29.384 47.398 -18.083 1.00 22.22 C ATOM 2038 OE1 GLN A 130 -30.120 46.428 -17.903 1.00 45.14 O ATOM 2039 NE2 GLN A 130 -29.794 48.650 -17.910 1.00 45.31 N ATOM 0 H GLN A 130 -25.630 46.308 -19.118 1.00 52.24 H new ATOM 0 HA GLN A 130 -25.092 47.751 -16.609 1.00 34.12 H new ATOM 0 HB2 GLN A 130 -27.489 48.339 -16.760 1.00 10.41 H new ATOM 0 HB3 GLN A 130 -26.600 48.842 -18.184 1.00 10.41 H new ATOM 0 HG2 GLN A 130 -27.837 47.550 -19.552 1.00 73.50 H new ATOM 0 HG3 GLN A 130 -27.698 46.152 -18.505 1.00 73.50 H new ATOM 0 HE21 GLN A 130 -29.150 49.424 -18.071 1.00 45.31 H new ATOM 0 HE22 GLN A 130 -30.753 48.837 -17.617 1.00 45.31 H new ATOM 2048 N ASN A 131 -25.331 45.069 -15.987 1.00 73.45 N ATOM 2049 CA ASN A 131 -25.657 43.920 -15.151 1.00 43.42 C ATOM 2050 C ASN A 131 -24.395 43.303 -14.556 1.00 14.33 C ATOM 2051 O ASN A 131 -23.302 43.449 -15.104 1.00 33.33 O ATOM 2052 CB ASN A 131 -26.415 42.869 -15.965 1.00 4.34 C ATOM 2053 CG ASN A 131 -25.759 42.589 -17.303 1.00 12.33 C ATOM 2054 OD1 ASN A 131 -24.587 42.215 -17.365 1.00 45.12 O ATOM 2055 ND2 ASN A 131 -26.512 42.770 -18.381 1.00 13.00 N ATOM 0 H ASN A 131 -24.358 45.106 -16.292 1.00 73.45 H new ATOM 0 HA ASN A 131 -26.291 44.266 -14.335 1.00 43.42 H new ATOM 0 HB2 ASN A 131 -26.475 41.944 -15.392 1.00 4.34 H new ATOM 0 HB3 ASN A 131 -27.438 43.209 -16.129 1.00 4.34 H new ATOM 0 HD21 ASN A 131 -26.124 42.598 -19.309 1.00 13.00 H new ATOM 0 HD22 ASN A 131 -27.478 43.081 -18.282 1.00 13.00 H new ATOM 2062 N TYR A 132 -24.554 42.614 -13.431 1.00 52.03 N ATOM 2063 CA TYR A 132 -23.426 41.977 -12.760 1.00 44.52 C ATOM 2064 C TYR A 132 -22.662 41.071 -13.720 1.00 62.31 C ATOM 2065 O TYR A 132 -21.581 41.447 -14.174 1.00 4.42 O ATOM 2066 CB TYR A 132 -23.915 41.167 -11.557 1.00 74.52 C ATOM 2067 CG TYR A 132 -22.834 40.888 -10.537 1.00 15.12 C ATOM 2068 CD1 TYR A 132 -22.484 41.842 -9.588 1.00 23.24 C ATOM 2069 CD2 TYR A 132 -22.162 39.673 -10.521 1.00 53.01 C ATOM 2070 CE1 TYR A 132 -21.497 41.593 -8.655 1.00 30.10 C ATOM 2071 CE2 TYR A 132 -21.175 39.414 -9.590 1.00 12.02 C ATOM 2072 CZ TYR A 132 -20.846 40.377 -8.659 1.00 3.13 C ATOM 2073 OH TYR A 132 -19.862 40.123 -7.731 1.00 4.32 O ATOM 0 H TYR A 132 -25.452 42.482 -12.965 1.00 52.03 H new ATOM 0 HA TYR A 132 -22.751 42.760 -12.414 1.00 44.52 H new ATOM 0 HB2 TYR A 132 -24.729 41.706 -11.073 1.00 74.52 H new ATOM 0 HB3 TYR A 132 -24.324 40.220 -11.909 1.00 74.52 H new ATOM 0 HD1 TYR A 132 -22.993 42.794 -9.580 1.00 23.24 H new ATOM 0 HD2 TYR A 132 -22.416 38.917 -11.249 1.00 53.01 H new ATOM 0 HE1 TYR A 132 -21.236 42.346 -7.926 1.00 30.10 H new ATOM 0 HE2 TYR A 132 -20.664 38.463 -9.591 1.00 12.02 H new ATOM 0 HH TYR A 132 -19.506 39.221 -7.871 1.00 4.32 H new TER 2083 TYR A 132 HETATM 2084 O1 PC8 A 300 2.296 16.595 -28.348 1.00 54.12 O HETATM 2085 O2 PC8 A 300 4.005 17.776 -29.734 1.00 73.03 O HETATM 2086 P1 PC8 A 300 3.632 17.196 -28.309 1.00 15.54 P HETATM 2087 O3 PC8 A 300 3.738 18.385 -27.244 1.00 1.34 O HETATM 2088 C1 PC8 A 300 3.872 19.732 -27.739 1.00 33.20 C HETATM 2089 C2 PC8 A 300 4.226 20.777 -26.645 1.00 11.44 C HETATM 2090 N1 PC8 A 300 5.532 21.551 -26.784 1.00 2.11 N HETATM 2091 C3 PC8 A 300 5.676 22.190 -28.147 1.00 35.15 C HETATM 2092 C4 PC8 A 300 5.507 22.659 -25.755 1.00 40.24 C HETATM 2093 C5 PC8 A 300 6.736 20.673 -26.524 1.00 60.03 C HETATM 2094 O4 PC8 A 300 4.736 16.096 -27.935 1.00 62.22 O HETATM 2095 C6 PC8 A 300 5.029 15.893 -26.531 1.00 44.11 C HETATM 2096 C7 PC8 A 300 4.859 14.420 -26.049 1.00 21.44 C HETATM 2097 C8 PC8 A 300 5.176 14.207 -24.550 1.00 44.04 C HETATM 2098 O5 PC8 A 300 6.015 15.257 -24.059 1.00 22.43 O HETATM 2099 C9 PC8 A 300 6.918 15.167 -23.043 1.00 12.22 C HETATM 2100 O6 PC8 A 300 6.600 15.492 -21.874 1.00 15.23 O HETATM 2101 C10 PC8 A 300 8.277 14.703 -23.387 1.00 73.14 C HETATM 2102 C11 PC8 A 300 9.423 15.704 -23.072 1.00 44.12 C HETATM 2103 C12 PC8 A 300 9.794 15.721 -21.566 1.00 74.03 C HETATM 2104 C13 PC8 A 300 11.261 15.284 -21.307 1.00 65.32 C HETATM 2105 C14 PC8 A 300 11.403 14.415 -20.029 1.00 0.51 C HETATM 2106 C15 PC8 A 300 10.969 15.168 -18.744 1.00 33.04 C HETATM 2107 C16 PC8 A 300 11.420 14.451 -17.452 1.00 2.30 C HETATM 2108 O7 PC8 A 300 3.541 13.893 -26.284 1.00 23.02 O HETATM 2109 C17 PC8 A 300 2.902 13.715 -27.480 1.00 52.20 C HETATM 2110 O8 PC8 A 300 3.557 13.612 -28.545 1.00 22.43 O HETATM 2111 C18 PC8 A 300 1.425 13.616 -27.468 1.00 23.53 C HETATM 2112 C19 PC8 A 300 0.847 12.346 -26.786 1.00 12.40 C HETATM 2113 C20 PC8 A 300 -0.697 12.399 -26.621 1.00 20.43 C HETATM 2114 C21 PC8 A 300 -1.239 11.251 -25.729 1.00 40.01 C HETATM 2115 C22 PC8 A 300 -0.947 11.468 -24.220 1.00 52.21 C HETATM 2116 C23 PC8 A 300 -2.234 11.757 -23.402 1.00 73.24 C HETATM 2117 C24 PC8 A 300 -3.276 10.620 -23.497 1.00 74.31 C HETATM 0 H9 PC8 A 300 5.422 22.227 -24.758 1.00 40.24 H new HETATM 0 H8 PC8 A 300 6.428 23.239 -25.822 1.00 40.24 H new HETATM 0 H7 PC8 A 300 5.658 21.417 -28.915 1.00 35.15 H new HETATM 0 H6 PC8 A 300 4.852 22.885 -28.312 1.00 35.15 H new HETATM 0 H5 PC8 A 300 6.622 22.730 -28.198 1.00 35.15 H new HETATM 0 H48 PC8 A 300 -3.569 10.481 -24.538 1.00 74.31 H new HETATM 0 H47 PC8 A 300 -2.842 9.696 -23.116 1.00 74.31 H new HETATM 0 H46 PC8 A 300 -4.153 10.880 -22.905 1.00 74.31 H new HETATM 0 H45 PC8 A 300 -1.967 11.911 -22.357 1.00 73.24 H new HETATM 0 H44 PC8 A 300 -2.683 12.685 -23.757 1.00 73.24 H new HETATM 0 H43 PC8 A 300 -0.455 10.582 -23.817 1.00 52.21 H new HETATM 0 H42 PC8 A 300 -0.252 12.299 -24.103 1.00 52.21 H new HETATM 0 H41 PC8 A 300 -2.315 11.161 -25.876 1.00 40.01 H new HETATM 0 H40 PC8 A 300 -0.794 10.309 -26.048 1.00 40.01 H new HETATM 0 H4 PC8 A 300 3.413 21.501 -26.601 1.00 11.44 H new HETATM 0 H39 PC8 A 300 -0.980 13.357 -26.186 1.00 20.43 H new HETATM 0 H38 PC8 A 300 -1.166 12.344 -27.603 1.00 20.43 H new HETATM 0 H37 PC8 A 300 1.115 11.469 -27.376 1.00 12.40 H new HETATM 0 H36 PC8 A 300 1.308 12.224 -25.806 1.00 12.40 H new HETATM 0 H35 PC8 A 300 1.023 14.494 -26.962 1.00 23.53 H new HETATM 0 H34 PC8 A 300 1.067 13.650 -28.497 1.00 23.53 H new HETATM 0 H33 PC8 A 300 10.982 13.453 -17.418 1.00 2.30 H new HETATM 0 H32 PC8 A 300 12.507 14.371 -17.441 1.00 2.30 H new HETATM 0 H31 PC8 A 300 11.089 15.022 -16.585 1.00 2.30 H new HETATM 0 H30 PC8 A 300 11.385 16.175 -18.760 1.00 33.04 H new HETATM 0 H3 PC8 A 300 4.245 20.261 -25.685 1.00 11.44 H new HETATM 0 H29 PC8 A 300 9.884 15.272 -18.737 1.00 33.04 H new HETATM 0 H28 PC8 A 300 10.800 13.513 -20.138 1.00 0.51 H new HETATM 0 H27 PC8 A 300 12.440 14.095 -19.925 1.00 0.51 H new HETATM 0 H26 PC8 A 300 11.627 14.723 -22.167 1.00 65.32 H new HETATM 0 H25 PC8 A 300 11.890 16.169 -21.213 1.00 65.32 H new HETATM 0 H24 PC8 A 300 9.643 16.725 -21.170 1.00 74.03 H new HETATM 0 H23 PC8 A 300 9.120 15.059 -21.022 1.00 74.03 H new HETATM 0 H22 PC8 A 300 10.304 15.440 -23.658 1.00 44.12 H new HETATM 0 H21 PC8 A 300 9.123 16.705 -23.381 1.00 44.12 H new HETATM 0 H20 PC8 A 300 8.472 13.774 -22.851 1.00 73.14 H new HETATM 0 H2 PC8 A 300 4.645 19.750 -28.507 1.00 33.20 H new HETATM 0 H19 PC8 A 300 8.304 14.469 -24.451 1.00 73.14 H new HETATM 0 H18 PC8 A 300 4.249 14.177 -23.977 1.00 44.04 H new HETATM 0 H17 PC8 A 300 5.669 13.245 -24.410 1.00 44.04 H new HETATM 0 H16 PC8 A 300 5.591 13.884 -26.653 1.00 21.44 H new HETATM 0 H15 PC8 A 300 6.053 16.212 -26.335 1.00 44.11 H new HETATM 0 H14 PC8 A 300 4.377 16.535 -25.939 1.00 44.11 H new HETATM 0 H13 PC8 A 300 6.682 20.272 -25.512 1.00 60.03 H new HETATM 0 H12 PC8 A 300 6.748 19.851 -27.240 1.00 60.03 H new HETATM 0 H11 PC8 A 300 7.646 21.262 -26.633 1.00 60.03 H new HETATM 0 H10 PC8 A 300 4.654 23.311 -25.943 1.00 40.24 H new HETATM 0 H1 PC8 A 300 2.938 20.026 -28.219 1.00 33.20 H new