USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 MET CE :methyl -128:sc= -3.72! (180deg=-3.06!) USER MOD Set 1.2: A 21 MET CE :methyl -174:sc= -4.45! (180deg=-4.46!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0753 (180deg=0) USER MOD Single : A 5 SER OG : rot -59:sc= 0.435 USER MOD Single : A 14 SER OG : rot -100:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.342 K(o=-0.34,f=-0.89) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc=-0.00375 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.088 K(o=-0.088,f=0.78) USER MOD Single : A 36 THR OG1 : rot 74:sc= 0.841 USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0178) USER MOD Single : A 38 ASN : amide:sc= -0.0331 K(o=-0.033,f=-1.6) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 53:sc= -0.472 USER MOD Single : A 49 GLN : amide:sc=-0.00896 X(o=-0.009,f=-0.009) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.0158 (180deg=-0.187) USER MOD Single : A 53 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.138 -5.181 -0.967 1.00 15.14 N ATOM 2 CA GLY A 1 0.473 -3.935 -1.631 1.00 23.11 C ATOM 3 C GLY A 1 -0.160 -3.821 -3.004 1.00 24.14 C ATOM 4 O GLY A 1 -0.778 -4.760 -3.505 1.00 61.05 O ATOM 0 H1 GLY A 1 -0.327 -4.977 -0.059 1.00 15.14 H new ATOM 0 H2 GLY A 1 -0.506 -5.733 -1.569 1.00 15.14 H new ATOM 0 H3 GLY A 1 1.006 -5.728 -0.796 1.00 15.14 H new ATOM 0 HA2 GLY A 1 0.146 -3.098 -1.013 1.00 23.11 H new ATOM 0 HA3 GLY A 1 1.556 -3.857 -1.726 1.00 23.11 H new ATOM 8 N PRO A 2 -0.009 -2.646 -3.633 1.00 71.42 N ATOM 9 CA PRO A 2 -0.565 -2.385 -4.964 1.00 42.32 C ATOM 10 C PRO A 2 0.150 -3.173 -6.056 1.00 62.02 C ATOM 11 O PRO A 2 1.199 -2.757 -6.551 1.00 55.04 O ATOM 12 CB PRO A 2 -0.339 -0.883 -5.154 1.00 2.32 C ATOM 13 CG PRO A 2 0.822 -0.560 -4.277 1.00 34.41 C ATOM 14 CD PRO A 2 0.716 -1.483 -3.094 1.00 72.34 C ATOM 0 HA PRO A 2 -1.610 -2.686 -5.035 1.00 42.32 H new ATOM 0 HB2 PRO A 2 -0.127 -0.643 -6.196 1.00 2.32 H new ATOM 0 HB3 PRO A 2 -1.222 -0.311 -4.869 1.00 2.32 H new ATOM 0 HG2 PRO A 2 1.764 -0.709 -4.805 1.00 34.41 H new ATOM 0 HG3 PRO A 2 0.795 0.483 -3.962 1.00 34.41 H new ATOM 0 HD2 PRO A 2 1.698 -1.763 -2.713 1.00 72.34 H new ATOM 0 HD3 PRO A 2 0.175 -1.019 -2.269 1.00 72.34 H new ATOM 22 N LEU A 3 -0.422 -4.312 -6.428 1.00 75.50 N ATOM 23 CA LEU A 3 0.160 -5.160 -7.463 1.00 2.40 C ATOM 24 C LEU A 3 1.614 -5.491 -7.141 1.00 11.31 C ATOM 25 O LEU A 3 2.535 -4.885 -7.687 1.00 70.34 O ATOM 26 CB LEU A 3 0.072 -4.468 -8.825 1.00 23.42 C ATOM 27 CG LEU A 3 -1.283 -4.542 -9.528 1.00 53.34 C ATOM 28 CD1 LEU A 3 -2.135 -3.333 -9.173 1.00 34.44 C ATOM 29 CD2 LEU A 3 -1.097 -4.640 -11.035 1.00 73.35 C ATOM 0 H LEU A 3 -1.289 -4.671 -6.028 1.00 75.50 H new ATOM 0 HA LEU A 3 -0.406 -6.091 -7.498 1.00 2.40 H new ATOM 0 HB2 LEU A 3 0.334 -3.418 -8.694 1.00 23.42 H new ATOM 0 HB3 LEU A 3 0.824 -4.905 -9.482 1.00 23.42 H new ATOM 0 HG LEU A 3 -1.800 -5.439 -9.186 1.00 53.34 H new ATOM 0 HD11 LEU A 3 -3.096 -3.403 -9.683 1.00 34.44 H new ATOM 0 HD12 LEU A 3 -2.297 -3.306 -8.095 1.00 34.44 H new ATOM 0 HD13 LEU A 3 -1.624 -2.423 -9.486 1.00 34.44 H new ATOM 0 HD21 LEU A 3 -2.072 -4.692 -11.519 1.00 73.35 H new ATOM 0 HD22 LEU A 3 -0.560 -3.762 -11.393 1.00 73.35 H new ATOM 0 HD23 LEU A 3 -0.525 -5.537 -11.273 1.00 73.35 H new ATOM 41 N GLY A 4 1.812 -6.458 -6.251 1.00 21.43 N ATOM 42 CA GLY A 4 3.156 -6.855 -5.873 1.00 10.01 C ATOM 43 C GLY A 4 3.501 -8.254 -6.343 1.00 23.11 C ATOM 44 O GLY A 4 2.688 -8.919 -6.984 1.00 32.41 O ATOM 0 H GLY A 4 1.066 -6.974 -5.785 1.00 21.43 H new ATOM 0 HA2 GLY A 4 3.872 -6.148 -6.292 1.00 10.01 H new ATOM 0 HA3 GLY A 4 3.255 -6.805 -4.789 1.00 10.01 H new ATOM 48 N SER A 5 4.712 -8.701 -6.025 1.00 70.52 N ATOM 49 CA SER A 5 5.165 -10.029 -6.424 1.00 44.31 C ATOM 50 C SER A 5 5.003 -11.025 -5.280 1.00 3.21 C ATOM 51 O SER A 5 5.944 -11.733 -4.922 1.00 72.02 O ATOM 52 CB SER A 5 6.628 -9.979 -6.868 1.00 45.25 C ATOM 53 OG SER A 5 7.057 -11.239 -7.356 1.00 12.34 O ATOM 0 H SER A 5 5.396 -8.164 -5.493 1.00 70.52 H new ATOM 0 HA SER A 5 4.549 -10.360 -7.260 1.00 44.31 H new ATOM 0 HB2 SER A 5 6.750 -9.224 -7.645 1.00 45.25 H new ATOM 0 HB3 SER A 5 7.256 -9.678 -6.029 1.00 45.25 H new ATOM 0 HG SER A 5 6.961 -11.913 -6.651 1.00 12.34 H new ATOM 59 N GLU A 6 3.803 -11.072 -4.710 1.00 70.24 N ATOM 60 CA GLU A 6 3.518 -11.981 -3.606 1.00 55.41 C ATOM 61 C GLU A 6 2.528 -13.061 -4.032 1.00 62.44 C ATOM 62 O GLU A 6 1.869 -12.942 -5.065 1.00 23.21 O ATOM 63 CB GLU A 6 2.959 -11.206 -2.410 1.00 43.15 C ATOM 64 CG GLU A 6 3.754 -11.405 -1.131 1.00 62.50 C ATOM 65 CD GLU A 6 3.245 -10.549 0.012 1.00 42.53 C ATOM 66 OE1 GLU A 6 2.396 -9.668 -0.241 1.00 3.25 O ATOM 67 OE2 GLU A 6 3.695 -10.758 1.157 1.00 4.04 O ATOM 0 H GLU A 6 3.013 -10.492 -4.994 1.00 70.24 H new ATOM 0 HA GLU A 6 4.452 -12.462 -3.315 1.00 55.41 H new ATOM 0 HB2 GLU A 6 2.938 -10.144 -2.654 1.00 43.15 H new ATOM 0 HB3 GLU A 6 1.928 -11.514 -2.238 1.00 43.15 H new ATOM 0 HG2 GLU A 6 3.711 -12.455 -0.841 1.00 62.50 H new ATOM 0 HG3 GLU A 6 4.801 -11.169 -1.318 1.00 62.50 H new ATOM 74 N ALA A 7 2.431 -14.116 -3.230 1.00 30.23 N ATOM 75 CA ALA A 7 1.522 -15.217 -3.522 1.00 60.52 C ATOM 76 C ALA A 7 1.066 -15.908 -2.241 1.00 64.23 C ATOM 77 O ALA A 7 1.402 -15.476 -1.139 1.00 14.45 O ATOM 78 CB ALA A 7 2.188 -16.218 -4.455 1.00 41.24 C ATOM 0 H ALA A 7 2.971 -14.231 -2.373 1.00 30.23 H new ATOM 0 HA ALA A 7 0.641 -14.806 -4.016 1.00 60.52 H new ATOM 0 HB1 ALA A 7 1.498 -17.035 -4.665 1.00 41.24 H new ATOM 0 HB2 ALA A 7 2.458 -15.722 -5.388 1.00 41.24 H new ATOM 0 HB3 ALA A 7 3.086 -16.614 -3.982 1.00 41.24 H new ATOM 84 N ASP A 8 0.301 -16.983 -2.395 1.00 15.34 N ATOM 85 CA ASP A 8 -0.201 -17.734 -1.250 1.00 11.24 C ATOM 86 C ASP A 8 0.180 -19.207 -1.357 1.00 75.11 C ATOM 87 O ASP A 8 0.494 -19.715 -2.434 1.00 34.44 O ATOM 88 CB ASP A 8 -1.721 -17.593 -1.146 1.00 45.12 C ATOM 89 CG ASP A 8 -2.146 -16.791 0.068 1.00 54.44 C ATOM 90 OD1 ASP A 8 -1.572 -15.704 0.292 1.00 34.24 O ATOM 91 OD2 ASP A 8 -3.054 -17.249 0.792 1.00 12.43 O ATOM 0 H ASP A 8 0.015 -17.354 -3.301 1.00 15.34 H new ATOM 0 HA ASP A 8 0.256 -17.324 -0.349 1.00 11.24 H new ATOM 0 HB2 ASP A 8 -2.101 -17.112 -2.047 1.00 45.12 H new ATOM 0 HB3 ASP A 8 -2.173 -18.584 -1.100 1.00 45.12 H new ATOM 96 N PRO A 9 0.153 -19.910 -0.215 1.00 75.54 N ATOM 97 CA PRO A 9 0.492 -21.335 -0.155 1.00 64.20 C ATOM 98 C PRO A 9 -0.556 -22.210 -0.834 1.00 23.44 C ATOM 99 O PRO A 9 -0.233 -23.253 -1.403 1.00 31.44 O ATOM 100 CB PRO A 9 0.540 -21.625 1.347 1.00 31.22 C ATOM 101 CG PRO A 9 -0.349 -20.599 1.960 1.00 52.45 C ATOM 102 CD PRO A 9 -0.212 -19.369 1.105 1.00 74.24 C ATOM 0 HA PRO A 9 1.424 -21.554 -0.675 1.00 64.20 H new ATOM 0 HB2 PRO A 9 0.190 -22.634 1.567 1.00 31.22 H new ATOM 0 HB3 PRO A 9 1.557 -21.549 1.732 1.00 31.22 H new ATOM 0 HG2 PRO A 9 -1.383 -20.943 1.986 1.00 52.45 H new ATOM 0 HG3 PRO A 9 -0.056 -20.393 2.990 1.00 52.45 H new ATOM 0 HD2 PRO A 9 -1.142 -18.803 1.064 1.00 74.24 H new ATOM 0 HD3 PRO A 9 0.554 -18.696 1.489 1.00 74.24 H new ATOM 110 N ARG A 10 -1.811 -21.779 -0.770 1.00 72.10 N ATOM 111 CA ARG A 10 -2.907 -22.524 -1.378 1.00 62.51 C ATOM 112 C ARG A 10 -3.139 -22.073 -2.817 1.00 64.22 C ATOM 113 O ARG A 10 -4.144 -22.425 -3.435 1.00 74.02 O ATOM 114 CB ARG A 10 -4.189 -22.344 -0.563 1.00 63.10 C ATOM 115 CG ARG A 10 -4.043 -22.740 0.897 1.00 20.41 C ATOM 116 CD ARG A 10 -3.653 -24.203 1.041 1.00 32.21 C ATOM 117 NE ARG A 10 -4.227 -24.807 2.241 1.00 71.04 N ATOM 118 CZ ARG A 10 -5.509 -25.136 2.356 1.00 1.04 C ATOM 119 NH1 ARG A 10 -6.345 -24.921 1.351 1.00 55.14 N ATOM 120 NH2 ARG A 10 -5.956 -25.682 3.480 1.00 11.22 N ATOM 0 H ARG A 10 -2.095 -20.918 -0.303 1.00 72.10 H new ATOM 0 HA ARG A 10 -2.635 -23.579 -1.386 1.00 62.51 H new ATOM 0 HB2 ARG A 10 -4.501 -21.301 -0.618 1.00 63.10 H new ATOM 0 HB3 ARG A 10 -4.983 -22.939 -1.014 1.00 63.10 H new ATOM 0 HG2 ARG A 10 -3.288 -22.113 1.372 1.00 20.41 H new ATOM 0 HG3 ARG A 10 -4.982 -22.560 1.420 1.00 20.41 H new ATOM 0 HD2 ARG A 10 -3.986 -24.755 0.162 1.00 32.21 H new ATOM 0 HD3 ARG A 10 -2.567 -24.287 1.077 1.00 32.21 H new ATOM 0 HE ARG A 10 -3.610 -24.986 3.033 1.00 71.04 H new ATOM 0 HH11 ARG A 10 -6.005 -24.502 0.486 1.00 55.14 H new ATOM 0 HH12 ARG A 10 -7.329 -25.175 1.443 1.00 55.14 H new ATOM 0 HH21 ARG A 10 -5.315 -25.849 4.256 1.00 11.22 H new ATOM 0 HH22 ARG A 10 -6.940 -25.934 3.568 1.00 11.22 H new ATOM 134 N LEU A 11 -2.202 -21.292 -3.345 1.00 34.32 N ATOM 135 CA LEU A 11 -2.304 -20.792 -4.711 1.00 52.03 C ATOM 136 C LEU A 11 -1.125 -21.267 -5.555 1.00 34.54 C ATOM 137 O LEU A 11 -1.307 -21.782 -6.658 1.00 70.33 O ATOM 138 CB LEU A 11 -2.363 -19.263 -4.713 1.00 32.43 C ATOM 139 CG LEU A 11 -2.279 -18.590 -6.083 1.00 10.33 C ATOM 140 CD1 LEU A 11 -3.551 -18.838 -6.879 1.00 23.22 C ATOM 141 CD2 LEU A 11 -2.027 -17.097 -5.928 1.00 54.24 C ATOM 0 H LEU A 11 -1.364 -20.992 -2.848 1.00 34.32 H new ATOM 0 HA LEU A 11 -3.222 -21.186 -5.147 1.00 52.03 H new ATOM 0 HB2 LEU A 11 -3.293 -18.955 -4.235 1.00 32.43 H new ATOM 0 HB3 LEU A 11 -1.547 -18.887 -4.095 1.00 32.43 H new ATOM 0 HG LEU A 11 -1.443 -19.025 -6.630 1.00 10.33 H new ATOM 0 HD11 LEU A 11 -3.473 -18.351 -7.851 1.00 23.22 H new ATOM 0 HD12 LEU A 11 -3.689 -19.910 -7.020 1.00 23.22 H new ATOM 0 HD13 LEU A 11 -4.405 -18.431 -6.337 1.00 23.22 H new ATOM 0 HD21 LEU A 11 -1.970 -16.633 -6.913 1.00 54.24 H new ATOM 0 HD22 LEU A 11 -2.843 -16.647 -5.362 1.00 54.24 H new ATOM 0 HD23 LEU A 11 -1.088 -16.940 -5.398 1.00 54.24 H new ATOM 153 N ILE A 12 0.081 -21.093 -5.027 1.00 24.45 N ATOM 154 CA ILE A 12 1.289 -21.508 -5.729 1.00 42.24 C ATOM 155 C ILE A 12 1.200 -22.968 -6.161 1.00 43.44 C ATOM 156 O ILE A 12 1.794 -23.365 -7.163 1.00 73.33 O ATOM 157 CB ILE A 12 2.543 -21.318 -4.855 1.00 34.43 C ATOM 158 CG1 ILE A 12 2.429 -22.150 -3.575 1.00 52.14 C ATOM 159 CG2 ILE A 12 2.738 -19.847 -4.521 1.00 21.01 C ATOM 160 CD1 ILE A 12 3.060 -23.520 -3.687 1.00 43.10 C ATOM 0 H ILE A 12 0.248 -20.667 -4.115 1.00 24.45 H new ATOM 0 HA ILE A 12 1.373 -20.875 -6.612 1.00 42.24 H new ATOM 0 HB ILE A 12 3.413 -21.662 -5.414 1.00 34.43 H new ATOM 0 HG12 ILE A 12 2.900 -21.608 -2.755 1.00 52.14 H new ATOM 0 HG13 ILE A 12 1.376 -22.264 -3.318 1.00 52.14 H new ATOM 0 HG21 ILE A 12 3.628 -19.729 -3.903 1.00 21.01 H new ATOM 0 HG22 ILE A 12 2.858 -19.277 -5.443 1.00 21.01 H new ATOM 0 HG23 ILE A 12 1.868 -19.479 -3.978 1.00 21.01 H new ATOM 0 HD11 ILE A 12 2.942 -24.053 -2.744 1.00 43.10 H new ATOM 0 HD12 ILE A 12 2.573 -24.081 -4.485 1.00 43.10 H new ATOM 0 HD13 ILE A 12 4.121 -23.414 -3.913 1.00 43.10 H new ATOM 172 N GLU A 13 0.454 -23.760 -5.399 1.00 34.30 N ATOM 173 CA GLU A 13 0.286 -25.176 -5.704 1.00 65.43 C ATOM 174 C GLU A 13 -0.215 -25.369 -7.133 1.00 32.45 C ATOM 175 O GLU A 13 0.201 -26.296 -7.828 1.00 33.00 O ATOM 176 CB GLU A 13 -0.689 -25.822 -4.718 1.00 1.12 C ATOM 177 CG GLU A 13 -2.026 -25.106 -4.627 1.00 71.14 C ATOM 178 CD GLU A 13 -3.155 -25.896 -5.262 1.00 45.51 C ATOM 179 OE1 GLU A 13 -2.892 -26.618 -6.246 1.00 43.05 O ATOM 180 OE2 GLU A 13 -4.300 -25.791 -4.775 1.00 65.03 O ATOM 0 H GLU A 13 -0.044 -23.446 -4.566 1.00 34.30 H new ATOM 0 HA GLU A 13 1.259 -25.659 -5.610 1.00 65.43 H new ATOM 0 HB2 GLU A 13 -0.860 -26.857 -5.014 1.00 1.12 H new ATOM 0 HB3 GLU A 13 -0.231 -25.845 -3.729 1.00 1.12 H new ATOM 0 HG2 GLU A 13 -2.263 -24.918 -3.580 1.00 71.14 H new ATOM 0 HG3 GLU A 13 -1.948 -24.135 -5.115 1.00 71.14 H new ATOM 187 N SER A 14 -1.112 -24.488 -7.563 1.00 13.14 N ATOM 188 CA SER A 14 -1.675 -24.563 -8.906 1.00 22.12 C ATOM 189 C SER A 14 -0.691 -24.021 -9.938 1.00 2.20 C ATOM 190 O SER A 14 -0.416 -24.666 -10.951 1.00 33.25 O ATOM 191 CB SER A 14 -2.988 -23.781 -8.976 1.00 61.13 C ATOM 192 OG SER A 14 -4.004 -24.423 -8.226 1.00 15.20 O ATOM 0 H SER A 14 -1.465 -23.714 -7.001 1.00 13.14 H new ATOM 0 HA SER A 14 -1.872 -25.611 -9.133 1.00 22.12 H new ATOM 0 HB2 SER A 14 -2.834 -22.771 -8.596 1.00 61.13 H new ATOM 0 HB3 SER A 14 -3.303 -23.686 -10.015 1.00 61.13 H new ATOM 0 HG SER A 14 -4.586 -24.929 -8.830 1.00 15.20 H new ATOM 198 N LEU A 15 -0.163 -22.831 -9.674 1.00 42.32 N ATOM 199 CA LEU A 15 0.791 -22.199 -10.579 1.00 65.42 C ATOM 200 C LEU A 15 1.900 -23.173 -10.967 1.00 2.43 C ATOM 201 O LEU A 15 2.282 -23.262 -12.134 1.00 14.03 O ATOM 202 CB LEU A 15 1.395 -20.954 -9.928 1.00 1.03 C ATOM 203 CG LEU A 15 0.466 -19.746 -9.801 1.00 5.21 C ATOM 204 CD1 LEU A 15 0.467 -19.220 -8.374 1.00 12.20 C ATOM 205 CD2 LEU A 15 0.879 -18.652 -10.775 1.00 11.43 C ATOM 0 H LEU A 15 -0.379 -22.284 -8.841 1.00 42.32 H new ATOM 0 HA LEU A 15 0.257 -21.905 -11.483 1.00 65.42 H new ATOM 0 HB2 LEU A 15 1.746 -21.223 -8.932 1.00 1.03 H new ATOM 0 HB3 LEU A 15 2.270 -20.655 -10.505 1.00 1.03 H new ATOM 0 HG LEU A 15 -0.547 -20.062 -10.049 1.00 5.21 H new ATOM 0 HD11 LEU A 15 -0.200 -18.361 -8.303 1.00 12.20 H new ATOM 0 HD12 LEU A 15 0.124 -20.003 -7.697 1.00 12.20 H new ATOM 0 HD13 LEU A 15 1.478 -18.919 -8.098 1.00 12.20 H new ATOM 0 HD21 LEU A 15 0.207 -17.800 -10.671 1.00 11.43 H new ATOM 0 HD22 LEU A 15 1.900 -18.338 -10.558 1.00 11.43 H new ATOM 0 HD23 LEU A 15 0.826 -19.034 -11.795 1.00 11.43 H new ATOM 217 N SER A 16 2.412 -23.902 -9.980 1.00 41.32 N ATOM 218 CA SER A 16 3.478 -24.868 -10.218 1.00 3.25 C ATOM 219 C SER A 16 3.127 -25.789 -11.382 1.00 44.11 C ATOM 220 O SER A 16 4.005 -26.234 -12.120 1.00 64.34 O ATOM 221 CB SER A 16 3.735 -25.696 -8.957 1.00 11.21 C ATOM 222 OG SER A 16 4.897 -25.248 -8.280 1.00 72.04 O ATOM 0 H SER A 16 2.106 -23.842 -9.009 1.00 41.32 H new ATOM 0 HA SER A 16 4.383 -24.317 -10.474 1.00 3.25 H new ATOM 0 HB2 SER A 16 2.874 -25.628 -8.292 1.00 11.21 H new ATOM 0 HB3 SER A 16 3.849 -26.746 -9.225 1.00 11.21 H new ATOM 0 HG SER A 16 5.038 -25.792 -7.477 1.00 72.04 H new ATOM 228 N GLN A 17 1.838 -26.069 -11.539 1.00 33.44 N ATOM 229 CA GLN A 17 1.370 -26.938 -12.612 1.00 43.15 C ATOM 230 C GLN A 17 1.269 -26.172 -13.927 1.00 54.42 C ATOM 231 O GLN A 17 1.607 -26.694 -14.989 1.00 32.02 O ATOM 232 CB GLN A 17 0.011 -27.541 -12.254 1.00 22.42 C ATOM 233 CG GLN A 17 -0.067 -28.059 -10.827 1.00 21.33 C ATOM 234 CD GLN A 17 -0.616 -29.470 -10.747 1.00 63.22 C ATOM 235 OE1 GLN A 17 -0.376 -30.293 -11.631 1.00 45.13 O ATOM 236 NE2 GLN A 17 -1.358 -29.758 -9.684 1.00 64.11 N ATOM 0 H GLN A 17 1.099 -25.707 -10.937 1.00 33.44 H new ATOM 0 HA GLN A 17 2.095 -27.743 -12.735 1.00 43.15 H new ATOM 0 HB2 GLN A 17 -0.762 -26.787 -12.401 1.00 22.42 H new ATOM 0 HB3 GLN A 17 -0.207 -28.359 -12.941 1.00 22.42 H new ATOM 0 HG2 GLN A 17 0.927 -28.034 -10.381 1.00 21.33 H new ATOM 0 HG3 GLN A 17 -0.698 -27.394 -10.237 1.00 21.33 H new ATOM 0 HE21 GLN A 17 -1.532 -29.045 -8.975 1.00 64.11 H new ATOM 0 HE22 GLN A 17 -1.754 -30.692 -9.576 1.00 64.11 H new ATOM 245 N MET A 18 0.800 -24.930 -13.848 1.00 62.42 N ATOM 246 CA MET A 18 0.655 -24.092 -15.033 1.00 10.05 C ATOM 247 C MET A 18 2.018 -23.732 -15.614 1.00 64.03 C ATOM 248 O MET A 18 2.311 -24.038 -16.771 1.00 4.00 O ATOM 249 CB MET A 18 -0.119 -22.817 -14.690 1.00 22.53 C ATOM 250 CG MET A 18 -1.421 -23.078 -13.951 1.00 14.33 C ATOM 251 SD MET A 18 -2.874 -22.708 -14.953 1.00 31.41 S ATOM 252 CE MET A 18 -2.445 -23.528 -16.486 1.00 61.44 C ATOM 0 H MET A 18 0.514 -24.483 -12.977 1.00 62.42 H new ATOM 0 HA MET A 18 0.099 -24.657 -15.781 1.00 10.05 H new ATOM 0 HB2 MET A 18 0.513 -22.171 -14.080 1.00 22.53 H new ATOM 0 HB3 MET A 18 -0.335 -22.274 -15.610 1.00 22.53 H new ATOM 0 HG2 MET A 18 -1.455 -24.122 -13.640 1.00 14.33 H new ATOM 0 HG3 MET A 18 -1.447 -22.474 -13.044 1.00 14.33 H new ATOM 0 HE1 MET A 18 -2.551 -22.828 -17.315 1.00 61.44 H new ATOM 0 HE2 MET A 18 -1.414 -23.877 -16.436 1.00 61.44 H new ATOM 0 HE3 MET A 18 -3.109 -24.379 -16.642 1.00 61.44 H new ATOM 262 N LEU A 19 2.848 -23.081 -14.807 1.00 10.14 N ATOM 263 CA LEU A 19 4.181 -22.679 -15.242 1.00 1.13 C ATOM 264 C LEU A 19 4.969 -23.877 -15.762 1.00 33.34 C ATOM 265 O LEU A 19 5.777 -23.750 -16.681 1.00 42.20 O ATOM 266 CB LEU A 19 4.938 -22.018 -14.088 1.00 70.41 C ATOM 267 CG LEU A 19 4.186 -20.922 -13.333 1.00 4.41 C ATOM 268 CD1 LEU A 19 5.054 -20.345 -12.225 1.00 64.31 C ATOM 269 CD2 LEU A 19 3.741 -19.825 -14.289 1.00 50.12 C ATOM 0 H LEU A 19 2.621 -22.820 -13.847 1.00 10.14 H new ATOM 0 HA LEU A 19 4.070 -21.961 -16.054 1.00 1.13 H new ATOM 0 HB2 LEU A 19 5.223 -22.792 -13.376 1.00 70.41 H new ATOM 0 HB3 LEU A 19 5.861 -21.592 -14.482 1.00 70.41 H new ATOM 0 HG LEU A 19 3.299 -21.364 -12.879 1.00 4.41 H new ATOM 0 HD11 LEU A 19 4.502 -19.566 -11.699 1.00 64.31 H new ATOM 0 HD12 LEU A 19 5.323 -21.136 -11.525 1.00 64.31 H new ATOM 0 HD13 LEU A 19 5.960 -19.919 -12.657 1.00 64.31 H new ATOM 0 HD21 LEU A 19 3.207 -19.053 -13.734 1.00 50.12 H new ATOM 0 HD22 LEU A 19 4.614 -19.387 -14.772 1.00 50.12 H new ATOM 0 HD23 LEU A 19 3.082 -20.248 -15.047 1.00 50.12 H new ATOM 281 N SER A 20 4.725 -25.041 -15.168 1.00 63.51 N ATOM 282 CA SER A 20 5.413 -26.263 -15.570 1.00 52.11 C ATOM 283 C SER A 20 4.783 -26.852 -16.829 1.00 2.50 C ATOM 284 O SER A 20 5.446 -27.542 -17.603 1.00 34.24 O ATOM 285 CB SER A 20 5.374 -27.291 -14.438 1.00 61.31 C ATOM 286 OG SER A 20 6.159 -28.428 -14.755 1.00 1.14 O ATOM 0 H SER A 20 4.057 -25.164 -14.407 1.00 63.51 H new ATOM 0 HA SER A 20 6.451 -26.012 -15.787 1.00 52.11 H new ATOM 0 HB2 SER A 20 5.741 -26.837 -13.517 1.00 61.31 H new ATOM 0 HB3 SER A 20 4.344 -27.596 -14.255 1.00 61.31 H new ATOM 0 HG SER A 20 6.119 -29.070 -14.015 1.00 1.14 H new ATOM 292 N MET A 21 3.499 -26.573 -17.027 1.00 11.55 N ATOM 293 CA MET A 21 2.779 -27.073 -18.192 1.00 30.02 C ATOM 294 C MET A 21 3.099 -26.239 -19.428 1.00 41.12 C ATOM 295 O MET A 21 3.134 -26.755 -20.545 1.00 4.54 O ATOM 296 CB MET A 21 1.272 -27.061 -17.931 1.00 34.24 C ATOM 297 CG MET A 21 0.730 -28.394 -17.440 1.00 15.24 C ATOM 298 SD MET A 21 -1.064 -28.387 -17.252 1.00 23.35 S ATOM 299 CE MET A 21 -1.294 -26.918 -16.253 1.00 71.21 C ATOM 0 H MET A 21 2.936 -26.003 -16.396 1.00 11.55 H new ATOM 0 HA MET A 21 3.101 -28.098 -18.374 1.00 30.02 H new ATOM 0 HB2 MET A 21 1.045 -26.292 -17.193 1.00 34.24 H new ATOM 0 HB3 MET A 21 0.755 -26.784 -18.849 1.00 34.24 H new ATOM 0 HG2 MET A 21 1.015 -29.178 -18.141 1.00 15.24 H new ATOM 0 HG3 MET A 21 1.191 -28.639 -16.483 1.00 15.24 H new ATOM 0 HE1 MET A 21 -2.341 -26.836 -15.962 1.00 71.21 H new ATOM 0 HE2 MET A 21 -0.673 -26.985 -15.359 1.00 71.21 H new ATOM 0 HE3 MET A 21 -1.008 -26.038 -16.829 1.00 71.21 H new ATOM 309 N GLY A 22 3.331 -24.946 -19.221 1.00 25.21 N ATOM 310 CA GLY A 22 3.645 -24.062 -20.328 1.00 50.10 C ATOM 311 C GLY A 22 2.927 -22.731 -20.228 1.00 42.40 C ATOM 312 O GLY A 22 2.317 -22.272 -21.194 1.00 44.32 O ATOM 0 H GLY A 22 3.307 -24.495 -18.306 1.00 25.21 H new ATOM 0 HA2 GLY A 22 4.721 -23.890 -20.358 1.00 50.10 H new ATOM 0 HA3 GLY A 22 3.374 -24.548 -21.265 1.00 50.10 H new ATOM 316 N PHE A 23 2.997 -22.109 -19.056 1.00 4.14 N ATOM 317 CA PHE A 23 2.347 -20.823 -18.832 1.00 33.21 C ATOM 318 C PHE A 23 3.233 -19.903 -17.998 1.00 43.43 C ATOM 319 O PHE A 23 4.327 -20.285 -17.583 1.00 31.52 O ATOM 320 CB PHE A 23 1.001 -21.024 -18.133 1.00 14.23 C ATOM 321 CG PHE A 23 -0.001 -21.774 -18.964 1.00 3.22 C ATOM 322 CD1 PHE A 23 -0.069 -23.157 -18.910 1.00 3.41 C ATOM 323 CD2 PHE A 23 -0.874 -21.096 -19.800 1.00 3.05 C ATOM 324 CE1 PHE A 23 -0.989 -23.850 -19.673 1.00 52.02 C ATOM 325 CE2 PHE A 23 -1.796 -21.784 -20.565 1.00 15.23 C ATOM 326 CZ PHE A 23 -1.854 -23.162 -20.502 1.00 65.54 C ATOM 0 H PHE A 23 3.498 -22.475 -18.246 1.00 4.14 H new ATOM 0 HA PHE A 23 2.179 -20.355 -19.802 1.00 33.21 H new ATOM 0 HB2 PHE A 23 1.163 -21.563 -17.199 1.00 14.23 H new ATOM 0 HB3 PHE A 23 0.588 -20.050 -17.871 1.00 14.23 H new ATOM 0 HD1 PHE A 23 0.605 -23.700 -18.264 1.00 3.41 H new ATOM 0 HD2 PHE A 23 -0.833 -20.018 -19.854 1.00 3.05 H new ATOM 0 HE1 PHE A 23 -1.032 -24.928 -19.621 1.00 52.02 H new ATOM 0 HE2 PHE A 23 -2.471 -21.244 -21.212 1.00 15.23 H new ATOM 0 HZ PHE A 23 -2.574 -23.701 -21.100 1.00 65.54 H new ATOM 336 N SER A 24 2.753 -18.687 -17.759 1.00 4.54 N ATOM 337 CA SER A 24 3.503 -17.709 -16.979 1.00 3.23 C ATOM 338 C SER A 24 2.563 -16.836 -16.153 1.00 21.22 C ATOM 339 O SER A 24 1.369 -17.118 -16.048 1.00 1.52 O ATOM 340 CB SER A 24 4.352 -16.832 -17.901 1.00 65.22 C ATOM 341 OG SER A 24 4.357 -17.339 -19.225 1.00 20.25 O ATOM 0 H SER A 24 1.848 -18.355 -18.094 1.00 4.54 H new ATOM 0 HA SER A 24 4.160 -18.251 -16.299 1.00 3.23 H new ATOM 0 HB2 SER A 24 3.963 -15.814 -17.900 1.00 65.22 H new ATOM 0 HB3 SER A 24 5.373 -16.783 -17.523 1.00 65.22 H new ATOM 0 HG SER A 24 4.905 -16.760 -19.795 1.00 20.25 H new ATOM 347 N ASP A 25 3.111 -15.776 -15.568 1.00 74.34 N ATOM 348 CA ASP A 25 2.322 -14.861 -14.752 1.00 40.31 C ATOM 349 C ASP A 25 2.554 -13.415 -15.179 1.00 52.34 C ATOM 350 O ASP A 25 2.508 -12.500 -14.357 1.00 74.25 O ATOM 351 CB ASP A 25 2.673 -15.031 -13.273 1.00 53.02 C ATOM 352 CG ASP A 25 4.165 -14.946 -13.019 1.00 32.45 C ATOM 353 OD1 ASP A 25 4.855 -14.229 -13.772 1.00 62.32 O ATOM 354 OD2 ASP A 25 4.642 -15.598 -12.066 1.00 24.10 O ATOM 0 H ASP A 25 4.098 -15.530 -15.644 1.00 74.34 H new ATOM 0 HA ASP A 25 1.268 -15.100 -14.897 1.00 40.31 H new ATOM 0 HB2 ASP A 25 2.164 -14.263 -12.691 1.00 53.02 H new ATOM 0 HB3 ASP A 25 2.302 -15.994 -12.923 1.00 53.02 H new ATOM 359 N GLU A 26 2.804 -13.217 -16.470 1.00 23.10 N ATOM 360 CA GLU A 26 3.045 -11.882 -17.005 1.00 23.11 C ATOM 361 C GLU A 26 1.930 -10.924 -16.599 1.00 14.43 C ATOM 362 O GLU A 26 0.779 -11.086 -17.003 1.00 31.14 O ATOM 363 CB GLU A 26 3.159 -11.933 -18.530 1.00 1.40 C ATOM 364 CG GLU A 26 4.395 -12.666 -19.024 1.00 51.52 C ATOM 365 CD GLU A 26 5.377 -11.747 -19.724 1.00 43.50 C ATOM 366 OE1 GLU A 26 6.252 -11.178 -19.037 1.00 73.33 O ATOM 367 OE2 GLU A 26 5.271 -11.596 -20.959 1.00 62.14 O ATOM 0 H GLU A 26 2.845 -13.963 -17.164 1.00 23.10 H new ATOM 0 HA GLU A 26 3.984 -11.516 -16.590 1.00 23.11 H new ATOM 0 HB2 GLU A 26 2.272 -12.419 -18.936 1.00 1.40 H new ATOM 0 HB3 GLU A 26 3.171 -10.915 -18.919 1.00 1.40 H new ATOM 0 HG2 GLU A 26 4.890 -13.145 -18.180 1.00 51.52 H new ATOM 0 HG3 GLU A 26 4.093 -13.459 -19.709 1.00 51.52 H new ATOM 374 N GLY A 27 2.280 -9.923 -15.795 1.00 73.54 N ATOM 375 CA GLY A 27 1.298 -8.954 -15.347 1.00 14.23 C ATOM 376 C GLY A 27 0.546 -9.417 -14.115 1.00 22.35 C ATOM 377 O GLY A 27 0.461 -8.695 -13.122 1.00 44.03 O ATOM 0 H GLY A 27 3.226 -9.767 -15.447 1.00 73.54 H new ATOM 0 HA2 GLY A 27 1.797 -8.009 -15.131 1.00 14.23 H new ATOM 0 HA3 GLY A 27 0.588 -8.762 -16.152 1.00 14.23 H new ATOM 381 N GLY A 28 -0.003 -10.627 -14.178 1.00 1.31 N ATOM 382 CA GLY A 28 -0.746 -11.164 -13.053 1.00 4.01 C ATOM 383 C GLY A 28 -2.051 -11.808 -13.475 1.00 31.53 C ATOM 384 O GLY A 28 -3.103 -11.530 -12.899 1.00 1.20 O ATOM 0 H GLY A 28 0.054 -11.244 -14.988 1.00 1.31 H new ATOM 0 HA2 GLY A 28 -0.132 -11.900 -12.534 1.00 4.01 H new ATOM 0 HA3 GLY A 28 -0.952 -10.364 -12.342 1.00 4.01 H new ATOM 388 N TRP A 29 -1.985 -12.671 -14.483 1.00 4.43 N ATOM 389 CA TRP A 29 -3.172 -13.355 -14.982 1.00 63.13 C ATOM 390 C TRP A 29 -3.309 -14.737 -14.353 1.00 4.13 C ATOM 391 O TRP A 29 -4.390 -15.327 -14.355 1.00 40.21 O ATOM 392 CB TRP A 29 -3.111 -13.479 -16.506 1.00 1.14 C ATOM 393 CG TRP A 29 -2.163 -14.540 -16.978 1.00 52.51 C ATOM 394 CD1 TRP A 29 -0.820 -14.405 -17.185 1.00 70.15 C ATOM 395 CD2 TRP A 29 -2.488 -15.895 -17.304 1.00 23.55 C ATOM 396 NE1 TRP A 29 -0.290 -15.596 -17.620 1.00 50.14 N ATOM 397 CE2 TRP A 29 -1.292 -16.526 -17.700 1.00 72.22 C ATOM 398 CE3 TRP A 29 -3.671 -16.639 -17.297 1.00 10.35 C ATOM 399 CZ2 TRP A 29 -1.249 -17.863 -18.086 1.00 71.25 C ATOM 400 CZ3 TRP A 29 -3.627 -17.965 -17.681 1.00 24.45 C ATOM 401 CH2 TRP A 29 -2.423 -18.567 -18.070 1.00 44.13 C ATOM 0 H TRP A 29 -1.122 -12.913 -14.970 1.00 4.43 H new ATOM 0 HA TRP A 29 -4.045 -12.763 -14.707 1.00 63.13 H new ATOM 0 HB2 TRP A 29 -4.109 -13.698 -16.886 1.00 1.14 H new ATOM 0 HB3 TRP A 29 -2.812 -12.520 -16.930 1.00 1.14 H new ATOM 0 HD1 TRP A 29 -0.257 -13.496 -17.030 1.00 70.15 H new ATOM 0 HE1 TRP A 29 0.691 -15.761 -17.847 1.00 50.14 H new ATOM 0 HE3 TRP A 29 -4.604 -16.185 -16.996 1.00 10.35 H new ATOM 0 HZ2 TRP A 29 -0.322 -18.328 -18.387 1.00 71.25 H new ATOM 0 HZ3 TRP A 29 -4.536 -18.548 -17.681 1.00 24.45 H new ATOM 0 HH2 TRP A 29 -2.421 -19.607 -18.363 1.00 44.13 H new ATOM 412 N LEU A 30 -2.207 -15.249 -13.814 1.00 14.41 N ATOM 413 CA LEU A 30 -2.205 -16.562 -13.180 1.00 32.33 C ATOM 414 C LEU A 30 -2.198 -16.433 -11.660 1.00 30.31 C ATOM 415 O LEU A 30 -2.147 -17.432 -10.941 1.00 15.12 O ATOM 416 CB LEU A 30 -0.991 -17.371 -13.640 1.00 43.51 C ATOM 417 CG LEU A 30 -1.080 -18.885 -13.446 1.00 44.35 C ATOM 418 CD1 LEU A 30 -2.213 -19.464 -14.279 1.00 45.25 C ATOM 419 CD2 LEU A 30 0.242 -19.547 -13.807 1.00 2.12 C ATOM 0 H LEU A 30 -1.304 -14.774 -13.804 1.00 14.41 H new ATOM 0 HA LEU A 30 -3.115 -17.083 -13.478 1.00 32.33 H new ATOM 0 HB2 LEU A 30 -0.825 -17.170 -14.698 1.00 43.51 H new ATOM 0 HB3 LEU A 30 -0.114 -17.007 -13.105 1.00 43.51 H new ATOM 0 HG LEU A 30 -1.290 -19.086 -12.395 1.00 44.35 H new ATOM 0 HD11 LEU A 30 -2.261 -20.542 -14.128 1.00 45.25 H new ATOM 0 HD12 LEU A 30 -3.157 -19.012 -13.973 1.00 45.25 H new ATOM 0 HD13 LEU A 30 -2.034 -19.253 -15.333 1.00 45.25 H new ATOM 0 HD21 LEU A 30 0.161 -20.624 -13.663 1.00 2.12 H new ATOM 0 HD22 LEU A 30 0.481 -19.337 -14.850 1.00 2.12 H new ATOM 0 HD23 LEU A 30 1.032 -19.154 -13.167 1.00 2.12 H new ATOM 431 N THR A 31 -2.251 -15.196 -11.176 1.00 31.22 N ATOM 432 CA THR A 31 -2.252 -14.936 -9.742 1.00 22.12 C ATOM 433 C THR A 31 -3.674 -14.850 -9.199 1.00 62.52 C ATOM 434 O THR A 31 -3.904 -15.032 -8.003 1.00 41.35 O ATOM 435 CB THR A 31 -1.507 -13.630 -9.407 1.00 54.45 C ATOM 436 OG1 THR A 31 -1.539 -13.395 -7.995 1.00 73.22 O ATOM 437 CG2 THR A 31 -2.131 -12.449 -10.137 1.00 34.43 C ATOM 0 H THR A 31 -2.294 -14.358 -11.756 1.00 31.22 H new ATOM 0 HA THR A 31 -1.736 -15.772 -9.270 1.00 22.12 H new ATOM 0 HB THR A 31 -0.472 -13.734 -9.734 1.00 54.45 H new ATOM 0 HG1 THR A 31 -1.062 -12.564 -7.791 1.00 73.22 H new ATOM 0 HG21 THR A 31 -1.589 -11.538 -9.885 1.00 34.43 H new ATOM 0 HG22 THR A 31 -2.078 -12.617 -11.213 1.00 34.43 H new ATOM 0 HG23 THR A 31 -3.174 -12.345 -9.837 1.00 34.43 H new ATOM 445 N ARG A 32 -4.625 -14.574 -10.086 1.00 3.04 N ATOM 446 CA ARG A 32 -6.025 -14.464 -9.695 1.00 21.04 C ATOM 447 C ARG A 32 -6.873 -15.513 -10.409 1.00 3.33 C ATOM 448 O ARG A 32 -7.915 -15.932 -9.905 1.00 15.13 O ATOM 449 CB ARG A 32 -6.556 -13.064 -10.008 1.00 44.12 C ATOM 450 CG ARG A 32 -5.747 -11.948 -9.367 1.00 20.34 C ATOM 451 CD ARG A 32 -6.409 -11.440 -8.096 1.00 35.04 C ATOM 452 NE ARG A 32 -6.915 -10.079 -8.249 1.00 13.41 N ATOM 453 CZ ARG A 32 -7.601 -9.439 -7.308 1.00 21.11 C ATOM 454 NH1 ARG A 32 -7.861 -10.034 -6.152 1.00 62.51 N ATOM 455 NH2 ARG A 32 -8.028 -8.201 -7.522 1.00 22.10 N ATOM 0 H ARG A 32 -4.451 -14.423 -11.080 1.00 3.04 H new ATOM 0 HA ARG A 32 -6.091 -14.638 -8.621 1.00 21.04 H new ATOM 0 HB2 ARG A 32 -6.564 -12.921 -11.089 1.00 44.12 H new ATOM 0 HB3 ARG A 32 -7.590 -12.993 -9.669 1.00 44.12 H new ATOM 0 HG2 ARG A 32 -4.745 -12.309 -9.137 1.00 20.34 H new ATOM 0 HG3 ARG A 32 -5.635 -11.126 -10.074 1.00 20.34 H new ATOM 0 HD2 ARG A 32 -7.230 -12.104 -7.825 1.00 35.04 H new ATOM 0 HD3 ARG A 32 -5.691 -11.470 -7.276 1.00 35.04 H new ATOM 0 HE ARG A 32 -6.732 -9.593 -9.127 1.00 13.41 H new ATOM 0 HH11 ARG A 32 -7.534 -10.985 -5.983 1.00 62.51 H new ATOM 0 HH12 ARG A 32 -8.388 -9.540 -5.431 1.00 62.51 H new ATOM 0 HH21 ARG A 32 -7.830 -7.739 -8.410 1.00 22.10 H new ATOM 0 HH22 ARG A 32 -8.554 -7.711 -6.799 1.00 22.10 H new ATOM 469 N LEU A 33 -6.419 -15.932 -11.585 1.00 2.03 N ATOM 470 CA LEU A 33 -7.135 -16.932 -12.369 1.00 54.41 C ATOM 471 C LEU A 33 -7.457 -18.160 -11.523 1.00 45.25 C ATOM 472 O LEU A 33 -8.601 -18.614 -11.479 1.00 25.33 O ATOM 473 CB LEU A 33 -6.308 -17.340 -13.589 1.00 60.40 C ATOM 474 CG LEU A 33 -6.688 -18.670 -14.243 1.00 4.42 C ATOM 475 CD1 LEU A 33 -8.152 -18.663 -14.654 1.00 22.44 C ATOM 476 CD2 LEU A 33 -5.796 -18.947 -15.444 1.00 42.12 C ATOM 0 H LEU A 33 -5.558 -15.595 -12.017 1.00 2.03 H new ATOM 0 HA LEU A 33 -8.073 -16.491 -12.705 1.00 54.41 H new ATOM 0 HB2 LEU A 33 -6.390 -16.553 -14.338 1.00 60.40 H new ATOM 0 HB3 LEU A 33 -5.260 -17.390 -13.293 1.00 60.40 H new ATOM 0 HG LEU A 33 -6.540 -19.467 -13.514 1.00 4.42 H new ATOM 0 HD11 LEU A 33 -8.404 -19.617 -15.117 1.00 22.44 H new ATOM 0 HD12 LEU A 33 -8.776 -18.511 -13.774 1.00 22.44 H new ATOM 0 HD13 LEU A 33 -8.326 -17.856 -15.366 1.00 22.44 H new ATOM 0 HD21 LEU A 33 -6.080 -19.897 -15.897 1.00 42.12 H new ATOM 0 HD22 LEU A 33 -5.912 -18.147 -16.175 1.00 42.12 H new ATOM 0 HD23 LEU A 33 -4.756 -18.996 -15.121 1.00 42.12 H new ATOM 488 N LEU A 34 -6.441 -18.691 -10.853 1.00 22.55 N ATOM 489 CA LEU A 34 -6.615 -19.866 -10.005 1.00 62.33 C ATOM 490 C LEU A 34 -7.584 -19.576 -8.864 1.00 1.22 C ATOM 491 O LEU A 34 -8.486 -20.366 -8.588 1.00 11.35 O ATOM 492 CB LEU A 34 -5.266 -20.318 -9.442 1.00 51.42 C ATOM 493 CG LEU A 34 -4.328 -21.017 -10.427 1.00 3.45 C ATOM 494 CD1 LEU A 34 -5.043 -22.163 -11.124 1.00 54.21 C ATOM 495 CD2 LEU A 34 -3.788 -20.024 -11.445 1.00 42.44 C ATOM 0 H LEU A 34 -5.488 -18.327 -10.880 1.00 22.55 H new ATOM 0 HA LEU A 34 -7.033 -20.666 -10.617 1.00 62.33 H new ATOM 0 HB2 LEU A 34 -4.752 -19.445 -9.039 1.00 51.42 H new ATOM 0 HB3 LEU A 34 -5.451 -20.993 -8.606 1.00 51.42 H new ATOM 0 HG LEU A 34 -3.487 -21.428 -9.869 1.00 3.45 H new ATOM 0 HD11 LEU A 34 -4.360 -22.648 -11.821 1.00 54.21 H new ATOM 0 HD12 LEU A 34 -5.379 -22.887 -10.382 1.00 54.21 H new ATOM 0 HD13 LEU A 34 -5.904 -21.777 -11.670 1.00 54.21 H new ATOM 0 HD21 LEU A 34 -3.122 -20.539 -12.138 1.00 42.44 H new ATOM 0 HD22 LEU A 34 -4.617 -19.583 -11.998 1.00 42.44 H new ATOM 0 HD23 LEU A 34 -3.237 -19.238 -10.929 1.00 42.44 H new ATOM 507 N GLN A 35 -7.391 -18.437 -8.206 1.00 53.23 N ATOM 508 CA GLN A 35 -8.250 -18.042 -7.096 1.00 3.12 C ATOM 509 C GLN A 35 -9.718 -18.070 -7.506 1.00 53.44 C ATOM 510 O GLN A 35 -10.594 -18.383 -6.699 1.00 53.35 O ATOM 511 CB GLN A 35 -7.872 -16.644 -6.604 1.00 2.33 C ATOM 512 CG GLN A 35 -6.584 -16.610 -5.796 1.00 34.40 C ATOM 513 CD GLN A 35 -6.235 -15.217 -5.312 1.00 42.23 C ATOM 514 OE1 GLN A 35 -5.171 -14.685 -5.631 1.00 70.04 O ATOM 515 NE2 GLN A 35 -7.131 -14.617 -4.538 1.00 0.43 N ATOM 0 H GLN A 35 -6.648 -17.772 -8.422 1.00 53.23 H new ATOM 0 HA GLN A 35 -8.105 -18.756 -6.286 1.00 3.12 H new ATOM 0 HB2 GLN A 35 -7.770 -15.981 -7.463 1.00 2.33 H new ATOM 0 HB3 GLN A 35 -8.685 -16.251 -5.993 1.00 2.33 H new ATOM 0 HG2 GLN A 35 -6.680 -17.275 -4.938 1.00 34.40 H new ATOM 0 HG3 GLN A 35 -5.767 -16.994 -6.406 1.00 34.40 H new ATOM 0 HE21 GLN A 35 -8.000 -15.095 -4.299 1.00 0.43 H new ATOM 0 HE22 GLN A 35 -6.951 -13.678 -4.183 1.00 0.43 H new ATOM 524 N THR A 36 -9.982 -17.739 -8.767 1.00 63.50 N ATOM 525 CA THR A 36 -11.344 -17.725 -9.285 1.00 0.14 C ATOM 526 C THR A 36 -11.828 -19.136 -9.600 1.00 4.15 C ATOM 527 O THR A 36 -13.030 -19.400 -9.626 1.00 22.10 O ATOM 528 CB THR A 36 -11.453 -16.862 -10.556 1.00 1.54 C ATOM 529 OG1 THR A 36 -10.146 -16.575 -11.066 1.00 53.53 O ATOM 530 CG2 THR A 36 -12.186 -15.561 -10.265 1.00 13.20 C ATOM 0 H THR A 36 -9.269 -17.477 -9.448 1.00 63.50 H new ATOM 0 HA THR A 36 -11.973 -17.294 -8.506 1.00 0.14 H new ATOM 0 HB THR A 36 -12.019 -17.421 -11.301 1.00 1.54 H new ATOM 0 HG1 THR A 36 -9.778 -17.377 -11.492 1.00 53.53 H new ATOM 0 HG21 THR A 36 -12.251 -14.968 -11.177 1.00 13.20 H new ATOM 0 HG22 THR A 36 -13.190 -15.782 -9.904 1.00 13.20 H new ATOM 0 HG23 THR A 36 -11.643 -14.999 -9.505 1.00 13.20 H new ATOM 538 N LYS A 37 -10.884 -20.040 -9.837 1.00 62.45 N ATOM 539 CA LYS A 37 -11.213 -21.426 -10.149 1.00 22.31 C ATOM 540 C LYS A 37 -11.002 -22.322 -8.933 1.00 25.25 C ATOM 541 O LYS A 37 -10.970 -23.546 -9.050 1.00 22.31 O ATOM 542 CB LYS A 37 -10.359 -21.925 -11.317 1.00 40.40 C ATOM 543 CG LYS A 37 -10.499 -21.085 -12.575 1.00 12.43 C ATOM 544 CD LYS A 37 -11.952 -20.958 -13.002 1.00 1.25 C ATOM 545 CE LYS A 37 -12.071 -20.617 -14.479 1.00 70.01 C ATOM 546 NZ LYS A 37 -13.183 -21.361 -15.132 1.00 73.31 N ATOM 0 H LYS A 37 -9.884 -19.838 -9.819 1.00 62.45 H new ATOM 0 HA LYS A 37 -12.265 -21.468 -10.432 1.00 22.31 H new ATOM 0 HB2 LYS A 37 -9.313 -21.936 -11.012 1.00 40.40 H new ATOM 0 HB3 LYS A 37 -10.636 -22.954 -11.545 1.00 40.40 H new ATOM 0 HG2 LYS A 37 -10.082 -20.093 -12.400 1.00 12.43 H new ATOM 0 HG3 LYS A 37 -9.920 -21.536 -13.381 1.00 12.43 H new ATOM 0 HD2 LYS A 37 -12.475 -21.893 -12.800 1.00 1.25 H new ATOM 0 HD3 LYS A 37 -12.441 -20.185 -12.409 1.00 1.25 H new ATOM 0 HE2 LYS A 37 -12.235 -19.545 -14.592 1.00 70.01 H new ATOM 0 HE3 LYS A 37 -11.133 -20.851 -14.982 1.00 70.01 H new ATOM 0 HZ1 LYS A 37 -13.375 -20.948 -16.067 1.00 73.31 H new ATOM 0 HZ2 LYS A 37 -12.914 -22.360 -15.243 1.00 73.31 H new ATOM 0 HZ3 LYS A 37 -14.037 -21.296 -14.543 1.00 73.31 H new ATOM 560 N ASN A 38 -10.859 -21.703 -7.765 1.00 61.30 N ATOM 561 CA ASN A 38 -10.652 -22.445 -6.527 1.00 23.52 C ATOM 562 C ASN A 38 -9.369 -23.269 -6.594 1.00 50.22 C ATOM 563 O ASN A 38 -9.334 -24.419 -6.157 1.00 24.21 O ATOM 564 CB ASN A 38 -11.845 -23.362 -6.251 1.00 74.14 C ATOM 565 CG ASN A 38 -11.955 -23.745 -4.788 1.00 50.30 C ATOM 566 OD1 ASN A 38 -11.017 -23.556 -4.014 1.00 2.04 O ATOM 567 ND2 ASN A 38 -13.105 -24.286 -4.403 1.00 2.03 N ATOM 0 H ASN A 38 -10.883 -20.690 -7.650 1.00 61.30 H new ATOM 0 HA ASN A 38 -10.559 -21.725 -5.714 1.00 23.52 H new ATOM 0 HB2 ASN A 38 -12.763 -22.863 -6.563 1.00 74.14 H new ATOM 0 HB3 ASN A 38 -11.752 -24.265 -6.854 1.00 74.14 H new ATOM 0 HD21 ASN A 38 -13.238 -24.564 -3.431 1.00 2.03 H new ATOM 0 HD22 ASN A 38 -13.856 -24.424 -5.080 1.00 2.03 H new ATOM 574 N TYR A 39 -8.318 -22.672 -7.144 1.00 43.42 N ATOM 575 CA TYR A 39 -7.033 -23.350 -7.271 1.00 11.43 C ATOM 576 C TYR A 39 -7.177 -24.647 -8.061 1.00 51.40 C ATOM 577 O TYR A 39 -6.841 -25.725 -7.572 1.00 33.31 O ATOM 578 CB TYR A 39 -6.450 -23.644 -5.888 1.00 23.13 C ATOM 579 CG TYR A 39 -6.613 -22.505 -4.907 1.00 25.12 C ATOM 580 CD1 TYR A 39 -6.119 -21.239 -5.194 1.00 50.41 C ATOM 581 CD2 TYR A 39 -7.261 -22.696 -3.693 1.00 0.54 C ATOM 582 CE1 TYR A 39 -6.265 -20.195 -4.300 1.00 61.44 C ATOM 583 CE2 TYR A 39 -7.413 -21.658 -2.793 1.00 43.34 C ATOM 584 CZ TYR A 39 -6.913 -20.410 -3.102 1.00 4.23 C ATOM 585 OH TYR A 39 -7.061 -19.373 -2.209 1.00 52.23 O ATOM 0 H TYR A 39 -8.330 -21.720 -7.509 1.00 43.42 H new ATOM 0 HA TYR A 39 -6.354 -22.690 -7.812 1.00 11.43 H new ATOM 0 HB2 TYR A 39 -6.931 -24.534 -5.482 1.00 23.13 H new ATOM 0 HB3 TYR A 39 -5.390 -23.874 -5.991 1.00 23.13 H new ATOM 0 HD1 TYR A 39 -5.612 -21.067 -6.132 1.00 50.41 H new ATOM 0 HD2 TYR A 39 -7.653 -23.672 -3.448 1.00 0.54 H new ATOM 0 HE1 TYR A 39 -5.874 -19.217 -4.538 1.00 61.44 H new ATOM 0 HE2 TYR A 39 -7.920 -21.823 -1.854 1.00 43.34 H new ATOM 0 HH TYR A 39 -7.540 -19.691 -1.415 1.00 52.23 H new ATOM 595 N ASP A 40 -7.678 -24.532 -9.286 1.00 32.50 N ATOM 596 CA ASP A 40 -7.866 -25.695 -10.147 1.00 2.43 C ATOM 597 C ASP A 40 -6.875 -25.678 -11.306 1.00 41.44 C ATOM 598 O ASP A 40 -6.441 -24.614 -11.749 1.00 1.40 O ATOM 599 CB ASP A 40 -9.298 -25.733 -10.683 1.00 45.34 C ATOM 600 CG ASP A 40 -10.163 -26.741 -9.954 1.00 22.15 C ATOM 601 OD1 ASP A 40 -10.207 -27.911 -10.389 1.00 53.13 O ATOM 602 OD2 ASP A 40 -10.795 -26.361 -8.946 1.00 41.11 O ATOM 0 H ASP A 40 -7.961 -23.646 -9.705 1.00 32.50 H new ATOM 0 HA ASP A 40 -7.686 -26.590 -9.552 1.00 2.43 H new ATOM 0 HB2 ASP A 40 -9.744 -24.743 -10.591 1.00 45.34 H new ATOM 0 HB3 ASP A 40 -9.279 -25.976 -11.745 1.00 45.34 H new ATOM 607 N ILE A 41 -6.521 -26.862 -11.793 1.00 21.31 N ATOM 608 CA ILE A 41 -5.581 -26.983 -12.901 1.00 15.13 C ATOM 609 C ILE A 41 -6.308 -27.283 -14.207 1.00 61.53 C ATOM 610 O ILE A 41 -5.836 -26.931 -15.287 1.00 52.05 O ATOM 611 CB ILE A 41 -4.541 -28.088 -12.639 1.00 11.11 C ATOM 612 CG1 ILE A 41 -4.123 -28.087 -11.167 1.00 41.51 C ATOM 613 CG2 ILE A 41 -3.330 -27.899 -13.540 1.00 3.13 C ATOM 614 CD1 ILE A 41 -3.556 -26.764 -10.701 1.00 51.33 C ATOM 0 H ILE A 41 -6.871 -27.752 -11.438 1.00 21.31 H new ATOM 0 HA ILE A 41 -5.067 -26.025 -12.986 1.00 15.13 H new ATOM 0 HB ILE A 41 -4.992 -29.053 -12.868 1.00 11.11 H new ATOM 0 HG12 ILE A 41 -4.987 -28.340 -10.552 1.00 41.51 H new ATOM 0 HG13 ILE A 41 -3.379 -28.868 -11.008 1.00 41.51 H new ATOM 0 HG21 ILE A 41 -2.604 -28.687 -13.343 1.00 3.13 H new ATOM 0 HG22 ILE A 41 -3.642 -27.945 -14.583 1.00 3.13 H new ATOM 0 HG23 ILE A 41 -2.875 -26.929 -13.340 1.00 3.13 H new ATOM 0 HD11 ILE A 41 -3.281 -26.836 -9.649 1.00 51.33 H new ATOM 0 HD12 ILE A 41 -2.673 -26.519 -11.291 1.00 51.33 H new ATOM 0 HD13 ILE A 41 -4.305 -25.982 -10.827 1.00 51.33 H new ATOM 626 N GLY A 42 -7.461 -27.937 -14.100 1.00 53.54 N ATOM 627 CA GLY A 42 -8.236 -28.272 -15.281 1.00 21.22 C ATOM 628 C GLY A 42 -9.124 -27.131 -15.735 1.00 73.11 C ATOM 629 O GLY A 42 -9.549 -27.088 -16.889 1.00 73.11 O ATOM 0 H GLY A 42 -7.872 -28.241 -13.217 1.00 53.54 H new ATOM 0 HA2 GLY A 42 -7.559 -28.546 -16.090 1.00 21.22 H new ATOM 0 HA3 GLY A 42 -8.852 -29.146 -15.071 1.00 21.22 H new ATOM 633 N ALA A 43 -9.407 -26.205 -14.825 1.00 1.21 N ATOM 634 CA ALA A 43 -10.250 -25.058 -15.138 1.00 73.14 C ATOM 635 C ALA A 43 -9.415 -23.879 -15.624 1.00 43.50 C ATOM 636 O ALA A 43 -9.855 -23.100 -16.469 1.00 12.21 O ATOM 637 CB ALA A 43 -11.073 -24.659 -13.922 1.00 23.50 C ATOM 0 H ALA A 43 -9.065 -26.227 -13.864 1.00 1.21 H new ATOM 0 HA ALA A 43 -10.927 -25.346 -15.942 1.00 73.14 H new ATOM 0 HB1 ALA A 43 -11.698 -23.801 -14.171 1.00 23.50 H new ATOM 0 HB2 ALA A 43 -11.706 -25.494 -13.621 1.00 23.50 H new ATOM 0 HB3 ALA A 43 -10.406 -24.396 -13.101 1.00 23.50 H new ATOM 643 N ALA A 44 -8.207 -23.753 -15.084 1.00 0.43 N ATOM 644 CA ALA A 44 -7.310 -22.669 -15.463 1.00 45.43 C ATOM 645 C ALA A 44 -6.648 -22.949 -16.808 1.00 63.21 C ATOM 646 O ALA A 44 -6.111 -22.044 -17.449 1.00 32.14 O ATOM 647 CB ALA A 44 -6.255 -22.456 -14.388 1.00 5.22 C ATOM 0 H ALA A 44 -7.827 -24.389 -14.382 1.00 0.43 H new ATOM 0 HA ALA A 44 -7.902 -21.759 -15.561 1.00 45.43 H new ATOM 0 HB1 ALA A 44 -5.592 -21.643 -14.685 1.00 5.22 H new ATOM 0 HB2 ALA A 44 -6.741 -22.202 -13.446 1.00 5.22 H new ATOM 0 HB3 ALA A 44 -5.675 -23.370 -14.262 1.00 5.22 H new ATOM 653 N LEU A 45 -6.688 -24.208 -17.231 1.00 11.02 N ATOM 654 CA LEU A 45 -6.091 -24.608 -18.500 1.00 73.33 C ATOM 655 C LEU A 45 -6.965 -24.176 -19.673 1.00 52.33 C ATOM 656 O LEU A 45 -6.495 -24.076 -20.807 1.00 33.22 O ATOM 657 CB LEU A 45 -5.886 -26.124 -18.534 1.00 42.34 C ATOM 658 CG LEU A 45 -4.590 -26.639 -17.908 1.00 64.51 C ATOM 659 CD1 LEU A 45 -4.669 -28.140 -17.677 1.00 31.45 C ATOM 660 CD2 LEU A 45 -3.398 -26.296 -18.790 1.00 21.40 C ATOM 0 H LEU A 45 -7.128 -24.969 -16.713 1.00 11.02 H new ATOM 0 HA LEU A 45 -5.124 -24.114 -18.590 1.00 73.33 H new ATOM 0 HB2 LEU A 45 -6.725 -26.596 -18.023 1.00 42.34 H new ATOM 0 HB3 LEU A 45 -5.920 -26.452 -19.573 1.00 42.34 H new ATOM 0 HG LEU A 45 -4.456 -26.150 -16.943 1.00 64.51 H new ATOM 0 HD11 LEU A 45 -3.738 -28.489 -17.231 1.00 31.45 H new ATOM 0 HD12 LEU A 45 -5.498 -28.362 -17.005 1.00 31.45 H new ATOM 0 HD13 LEU A 45 -4.828 -28.647 -18.629 1.00 31.45 H new ATOM 0 HD21 LEU A 45 -2.484 -26.670 -18.328 1.00 21.40 H new ATOM 0 HD22 LEU A 45 -3.525 -26.757 -19.769 1.00 21.40 H new ATOM 0 HD23 LEU A 45 -3.330 -25.214 -18.905 1.00 21.40 H new ATOM 672 N ASP A 46 -8.238 -23.918 -19.393 1.00 2.05 N ATOM 673 CA ASP A 46 -9.177 -23.492 -20.424 1.00 32.44 C ATOM 674 C ASP A 46 -9.573 -22.032 -20.229 1.00 33.24 C ATOM 675 O ASP A 46 -10.644 -21.604 -20.662 1.00 21.44 O ATOM 676 CB ASP A 46 -10.424 -24.379 -20.405 1.00 45.33 C ATOM 677 CG ASP A 46 -10.744 -24.955 -21.770 1.00 72.13 C ATOM 678 OD1 ASP A 46 -10.850 -24.170 -22.735 1.00 43.05 O ATOM 679 OD2 ASP A 46 -10.891 -26.191 -21.873 1.00 64.34 O ATOM 0 H ASP A 46 -8.643 -23.997 -18.460 1.00 2.05 H new ATOM 0 HA ASP A 46 -8.685 -23.590 -21.392 1.00 32.44 H new ATOM 0 HB2 ASP A 46 -10.277 -25.193 -19.696 1.00 45.33 H new ATOM 0 HB3 ASP A 46 -11.275 -23.797 -20.050 1.00 45.33 H new ATOM 684 N THR A 47 -8.703 -21.271 -19.573 1.00 12.44 N ATOM 685 CA THR A 47 -8.963 -19.859 -19.318 1.00 24.32 C ATOM 686 C THR A 47 -7.990 -18.974 -20.089 1.00 14.33 C ATOM 687 O THR A 47 -7.858 -17.784 -19.801 1.00 13.24 O ATOM 688 CB THR A 47 -8.858 -19.531 -17.816 1.00 75.05 C ATOM 689 OG1 THR A 47 -9.449 -20.582 -17.043 1.00 44.21 O ATOM 690 CG2 THR A 47 -9.550 -18.213 -17.502 1.00 23.05 C ATOM 0 H THR A 47 -7.812 -21.608 -19.208 1.00 12.44 H new ATOM 0 HA THR A 47 -9.980 -19.658 -19.656 1.00 24.32 H new ATOM 0 HB THR A 47 -7.803 -19.440 -17.558 1.00 75.05 H new ATOM 0 HG1 THR A 47 -9.061 -21.442 -17.309 1.00 44.21 H new ATOM 0 HG21 THR A 47 -9.463 -18.001 -16.436 1.00 23.05 H new ATOM 0 HG22 THR A 47 -9.080 -17.411 -18.071 1.00 23.05 H new ATOM 0 HG23 THR A 47 -10.603 -18.281 -17.774 1.00 23.05 H new ATOM 698 N ILE A 48 -7.313 -19.561 -21.069 1.00 41.34 N ATOM 699 CA ILE A 48 -6.354 -18.823 -21.883 1.00 30.34 C ATOM 700 C ILE A 48 -6.759 -18.831 -23.353 1.00 14.23 C ATOM 701 O ILE A 48 -6.480 -17.884 -24.088 1.00 32.31 O ATOM 702 CB ILE A 48 -4.936 -19.408 -21.750 1.00 24.41 C ATOM 703 CG1 ILE A 48 -4.764 -20.083 -20.387 1.00 50.13 C ATOM 704 CG2 ILE A 48 -3.893 -18.318 -21.942 1.00 44.31 C ATOM 705 CD1 ILE A 48 -5.153 -21.545 -20.383 1.00 54.44 C ATOM 0 H ILE A 48 -7.410 -20.545 -21.319 1.00 41.34 H new ATOM 0 HA ILE A 48 -6.351 -17.797 -21.515 1.00 30.34 H new ATOM 0 HB ILE A 48 -4.795 -20.160 -22.527 1.00 24.41 H new ATOM 0 HG12 ILE A 48 -3.724 -19.991 -20.074 1.00 50.13 H new ATOM 0 HG13 ILE A 48 -5.367 -19.553 -19.650 1.00 50.13 H new ATOM 0 HG21 ILE A 48 -2.896 -18.747 -21.845 1.00 44.31 H new ATOM 0 HG22 ILE A 48 -4.004 -17.879 -22.933 1.00 44.31 H new ATOM 0 HG23 ILE A 48 -4.031 -17.546 -21.185 1.00 44.31 H new ATOM 0 HD11 ILE A 48 -5.005 -21.958 -19.385 1.00 54.44 H new ATOM 0 HD12 ILE A 48 -6.201 -21.643 -20.665 1.00 54.44 H new ATOM 0 HD13 ILE A 48 -4.533 -22.088 -21.096 1.00 54.44 H new ATOM 717 N GLN A 49 -7.421 -19.904 -23.773 1.00 23.40 N ATOM 718 CA GLN A 49 -7.866 -20.034 -25.155 1.00 63.24 C ATOM 719 C GLN A 49 -8.636 -18.795 -25.598 1.00 14.32 C ATOM 720 O GLN A 49 -8.404 -18.261 -26.683 1.00 71.50 O ATOM 721 CB GLN A 49 -8.741 -21.278 -25.317 1.00 31.20 C ATOM 722 CG GLN A 49 -8.048 -22.567 -24.907 1.00 22.42 C ATOM 723 CD GLN A 49 -6.938 -22.962 -25.861 1.00 21.21 C ATOM 724 OE1 GLN A 49 -5.776 -22.609 -25.660 1.00 4.33 O ATOM 725 NE2 GLN A 49 -7.291 -23.699 -26.907 1.00 63.54 N ATOM 0 H GLN A 49 -7.661 -20.696 -23.176 1.00 23.40 H new ATOM 0 HA GLN A 49 -6.983 -20.135 -25.786 1.00 63.24 H new ATOM 0 HB2 GLN A 49 -9.645 -21.156 -24.721 1.00 31.20 H new ATOM 0 HB3 GLN A 49 -9.054 -21.359 -26.358 1.00 31.20 H new ATOM 0 HG2 GLN A 49 -7.636 -22.451 -23.905 1.00 22.42 H new ATOM 0 HG3 GLN A 49 -8.783 -23.370 -24.858 1.00 22.42 H new ATOM 0 HE21 GLN A 49 -8.266 -23.969 -27.035 1.00 63.54 H new ATOM 0 HE22 GLN A 49 -6.587 -23.995 -27.583 1.00 63.54 H new ATOM 734 N TYR A 50 -9.554 -18.342 -24.751 1.00 52.52 N ATOM 735 CA TYR A 50 -10.361 -17.166 -25.056 1.00 74.22 C ATOM 736 C TYR A 50 -11.118 -16.689 -23.820 1.00 61.22 C ATOM 737 O TYR A 50 -11.740 -17.483 -23.114 1.00 60.05 O ATOM 738 CB TYR A 50 -11.348 -17.477 -26.183 1.00 62.50 C ATOM 739 CG TYR A 50 -12.472 -18.399 -25.767 1.00 23.25 C ATOM 740 CD1 TYR A 50 -13.658 -17.892 -25.251 1.00 22.12 C ATOM 741 CD2 TYR A 50 -12.347 -19.778 -25.890 1.00 14.32 C ATOM 742 CE1 TYR A 50 -14.687 -18.731 -24.868 1.00 43.34 C ATOM 743 CE2 TYR A 50 -13.372 -20.624 -25.511 1.00 43.12 C ATOM 744 CZ TYR A 50 -14.539 -20.096 -25.001 1.00 11.33 C ATOM 745 OH TYR A 50 -15.562 -20.934 -24.622 1.00 73.41 O ATOM 0 H TYR A 50 -9.758 -18.771 -23.848 1.00 52.52 H new ATOM 0 HA TYR A 50 -9.690 -16.370 -25.379 1.00 74.22 H new ATOM 0 HB2 TYR A 50 -11.773 -16.543 -26.550 1.00 62.50 H new ATOM 0 HB3 TYR A 50 -10.807 -17.930 -27.014 1.00 62.50 H new ATOM 0 HD1 TYR A 50 -13.778 -16.824 -25.147 1.00 22.12 H new ATOM 0 HD2 TYR A 50 -11.434 -20.195 -26.288 1.00 14.32 H new ATOM 0 HE1 TYR A 50 -15.602 -18.320 -24.467 1.00 43.34 H new ATOM 0 HE2 TYR A 50 -13.259 -21.693 -25.614 1.00 43.12 H new ATOM 0 HH TYR A 50 -15.299 -21.864 -24.781 1.00 73.41 H new ATOM 755 N SER A 51 -11.060 -15.386 -23.565 1.00 43.12 N ATOM 756 CA SER A 51 -11.736 -14.801 -22.413 1.00 71.51 C ATOM 757 C SER A 51 -11.556 -13.287 -22.388 1.00 54.45 C ATOM 758 O SER A 51 -12.513 -12.533 -22.568 1.00 50.32 O ATOM 759 CB SER A 51 -11.200 -15.411 -21.117 1.00 24.33 C ATOM 760 OG SER A 51 -11.735 -14.751 -19.983 1.00 3.22 O ATOM 0 H SER A 51 -10.552 -14.715 -24.141 1.00 43.12 H new ATOM 0 HA SER A 51 -12.800 -15.021 -22.497 1.00 71.51 H new ATOM 0 HB2 SER A 51 -11.453 -16.470 -21.078 1.00 24.33 H new ATOM 0 HB3 SER A 51 -10.112 -15.343 -21.102 1.00 24.33 H new ATOM 0 HG SER A 51 -11.378 -15.161 -19.167 1.00 3.22 H new ATOM 766 N LYS A 52 -10.323 -12.847 -22.164 1.00 64.34 N ATOM 767 CA LYS A 52 -10.014 -11.423 -22.117 1.00 21.02 C ATOM 768 C LYS A 52 -9.779 -10.870 -23.519 1.00 24.21 C ATOM 769 O LYS A 52 -9.998 -9.686 -23.775 1.00 1.21 O ATOM 770 CB LYS A 52 -8.780 -11.176 -21.246 1.00 62.41 C ATOM 771 CG LYS A 52 -9.062 -11.253 -19.756 1.00 21.14 C ATOM 772 CD LYS A 52 -9.517 -9.912 -19.204 1.00 62.25 C ATOM 773 CE LYS A 52 -10.993 -9.932 -18.837 1.00 25.44 C ATOM 774 NZ LYS A 52 -11.266 -10.841 -17.689 1.00 63.31 N ATOM 0 H LYS A 52 -9.520 -13.457 -22.012 1.00 64.34 H new ATOM 0 HA LYS A 52 -10.869 -10.906 -21.680 1.00 21.02 H new ATOM 0 HB2 LYS A 52 -8.014 -11.908 -21.500 1.00 62.41 H new ATOM 0 HB3 LYS A 52 -8.372 -10.193 -21.480 1.00 62.41 H new ATOM 0 HG2 LYS A 52 -9.830 -12.004 -19.568 1.00 21.14 H new ATOM 0 HG3 LYS A 52 -8.164 -11.578 -19.231 1.00 21.14 H new ATOM 0 HD2 LYS A 52 -8.926 -9.660 -18.324 1.00 62.25 H new ATOM 0 HD3 LYS A 52 -9.335 -9.132 -19.944 1.00 62.25 H new ATOM 0 HE2 LYS A 52 -11.319 -8.922 -18.587 1.00 25.44 H new ATOM 0 HE3 LYS A 52 -11.578 -10.251 -19.700 1.00 25.44 H new ATOM 0 HZ1 LYS A 52 -12.159 -10.565 -17.232 1.00 63.31 H new ATOM 0 HZ2 LYS A 52 -11.340 -11.820 -18.032 1.00 63.31 H new ATOM 0 HZ3 LYS A 52 -10.490 -10.773 -17.000 1.00 63.31 H new ATOM 788 N HIS A 53 -9.332 -11.735 -24.424 1.00 74.31 N ATOM 789 CA HIS A 53 -9.070 -11.333 -25.801 1.00 64.34 C ATOM 790 C HIS A 53 -10.332 -10.781 -26.456 1.00 42.53 C ATOM 791 O HIS A 53 -10.625 -9.589 -26.354 1.00 3.24 O ATOM 792 CB HIS A 53 -8.539 -12.519 -26.609 1.00 14.34 C ATOM 793 CG HIS A 53 -7.773 -12.116 -27.831 1.00 25.25 C ATOM 794 ND1 HIS A 53 -7.531 -12.973 -28.884 1.00 22.05 N ATOM 795 CD2 HIS A 53 -7.194 -10.939 -28.165 1.00 25.25 C ATOM 796 CE1 HIS A 53 -6.835 -12.341 -29.812 1.00 22.14 C ATOM 797 NE2 HIS A 53 -6.617 -11.105 -29.400 1.00 33.00 N ATOM 0 H HIS A 53 -9.144 -12.718 -24.228 1.00 74.31 H new ATOM 0 HA HIS A 53 -8.316 -10.546 -25.786 1.00 64.34 H new ATOM 0 HB2 HIS A 53 -7.896 -13.124 -25.970 1.00 14.34 H new ATOM 0 HB3 HIS A 53 -9.377 -13.149 -26.907 1.00 14.34 H new ATOM 0 HD2 HIS A 53 -7.187 -10.037 -27.571 1.00 25.25 H new ATOM 0 HE1 HIS A 53 -6.501 -12.763 -30.748 1.00 22.14 H new ATOM 0 HE2 HIS A 53 -6.104 -10.390 -29.915 1.00 33.00 H new TER 805 HIS A 53