USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 811 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 52 ASN : amide:sc= -1.36 K(o=-1.3,f=-11!) USER MOD Set 1.2: A 54 GLN : amide:sc= 0.0602 K(o=-1.3,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00717 X(o=-0.0072,f=-0.0053) USER MOD Single : A 7 TYR OH : rot 90:sc= -2.01 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0388) USER MOD Single : A 15 HIS : no HE2:sc= -0.501 X(o=-0.5,f=-0.25) USER MOD Single : A 17 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 120:sc= 0.173 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.503 K(o=-0.5,f=-1.5!) USER MOD Single : A 61 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.41) USER MOD Single : A 62 SER OG : rot -78:sc= 0.705 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 89 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.2!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= 0.0898 K(o=0.09,f=-3.4!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.609 0.007 -1.373 1.00 13.22 N ATOM 2 CA GLY A 1 1.461 -0.188 -0.215 1.00 22.13 C ATOM 3 C GLY A 1 2.935 -0.132 -0.564 1.00 22.03 C ATOM 4 O GLY A 1 3.385 0.792 -1.240 1.00 71.10 O ATOM 0 H1 GLY A 1 -0.388 -0.040 -1.082 1.00 13.22 H new ATOM 0 H2 GLY A 1 0.803 0.938 -1.794 1.00 13.22 H new ATOM 0 H3 GLY A 1 0.801 -0.737 -2.074 1.00 13.22 H new ATOM 0 HA2 GLY A 1 1.238 0.576 0.529 1.00 22.13 H new ATOM 0 HA3 GLY A 1 1.235 -1.152 0.240 1.00 22.13 H new ATOM 8 N ASN A 2 3.690 -1.123 -0.100 1.00 13.14 N ATOM 9 CA ASN A 2 5.123 -1.181 -0.365 1.00 34.21 C ATOM 10 C ASN A 2 5.448 -2.297 -1.353 1.00 31.31 C ATOM 11 O ASN A 2 5.303 -3.479 -1.040 1.00 53.03 O ATOM 12 CB ASN A 2 5.895 -1.397 0.938 1.00 62.00 C ATOM 13 CG ASN A 2 6.672 -0.165 1.361 1.00 53.24 C ATOM 14 OD1 ASN A 2 6.355 0.466 2.369 1.00 3.13 O ATOM 15 ND2 ASN A 2 7.694 0.184 0.588 1.00 22.34 N ATOM 0 H ASN A 2 3.333 -1.896 0.461 1.00 13.14 H new ATOM 0 HA ASN A 2 5.425 -0.231 -0.805 1.00 34.21 H new ATOM 0 HB2 ASN A 2 5.197 -1.673 1.729 1.00 62.00 H new ATOM 0 HB3 ASN A 2 6.584 -2.233 0.815 1.00 62.00 H new ATOM 0 HD21 ASN A 2 8.252 1.005 0.821 1.00 22.34 H new ATOM 0 HD22 ASN A 2 7.920 -0.369 -0.239 1.00 22.34 H new ATOM 22 N SER A 3 5.889 -1.913 -2.547 1.00 22.54 N ATOM 23 CA SER A 3 6.232 -2.881 -3.582 1.00 64.20 C ATOM 24 C SER A 3 7.732 -2.867 -3.863 1.00 51.14 C ATOM 25 O SER A 3 8.317 -3.890 -4.217 1.00 72.14 O ATOM 26 CB SER A 3 5.458 -2.581 -4.867 1.00 21.11 C ATOM 27 OG SER A 3 6.144 -3.077 -6.003 1.00 70.44 O ATOM 0 H SER A 3 6.017 -0.939 -2.821 1.00 22.54 H new ATOM 0 HA SER A 3 5.956 -3.873 -3.223 1.00 64.20 H new ATOM 0 HB2 SER A 3 4.467 -3.031 -4.812 1.00 21.11 H new ATOM 0 HB3 SER A 3 5.314 -1.505 -4.966 1.00 21.11 H new ATOM 0 HG SER A 3 5.628 -2.874 -6.811 1.00 70.44 H new ATOM 33 N GLN A 4 8.347 -1.699 -3.703 1.00 35.40 N ATOM 34 CA GLN A 4 9.778 -1.551 -3.940 1.00 74.23 C ATOM 35 C GLN A 4 10.574 -1.871 -2.680 1.00 4.01 C ATOM 36 O GLN A 4 10.631 -1.067 -1.749 1.00 52.20 O ATOM 37 CB GLN A 4 10.093 -0.130 -4.411 1.00 24.32 C ATOM 38 CG GLN A 4 11.311 -0.046 -5.317 1.00 20.10 C ATOM 39 CD GLN A 4 10.943 0.177 -6.770 1.00 54.14 C ATOM 40 OE1 GLN A 4 11.053 1.290 -7.287 1.00 35.51 O ATOM 41 NE2 GLN A 4 10.502 -0.882 -7.439 1.00 63.23 N ATOM 0 H GLN A 4 7.877 -0.842 -3.410 1.00 35.40 H new ATOM 0 HA GLN A 4 10.068 -2.257 -4.719 1.00 74.23 H new ATOM 0 HB2 GLN A 4 9.228 0.268 -4.941 1.00 24.32 H new ATOM 0 HB3 GLN A 4 10.254 0.505 -3.540 1.00 24.32 H new ATOM 0 HG2 GLN A 4 11.954 0.767 -4.980 1.00 20.10 H new ATOM 0 HG3 GLN A 4 11.888 -0.966 -5.230 1.00 20.10 H new ATOM 0 HE21 GLN A 4 10.427 -1.785 -6.972 1.00 63.23 H new ATOM 0 HE22 GLN A 4 10.239 -0.792 -8.420 1.00 63.23 H new ATOM 50 N ILE A 5 11.188 -3.049 -2.657 1.00 21.21 N ATOM 51 CA ILE A 5 11.982 -3.474 -1.511 1.00 21.32 C ATOM 52 C ILE A 5 13.339 -4.013 -1.951 1.00 41.54 C ATOM 53 O ILE A 5 13.449 -4.685 -2.977 1.00 42.23 O ATOM 54 CB ILE A 5 11.254 -4.557 -0.692 1.00 42.21 C ATOM 55 CG1 ILE A 5 9.782 -4.183 -0.505 1.00 44.45 C ATOM 56 CG2 ILE A 5 11.933 -4.747 0.656 1.00 21.11 C ATOM 57 CD1 ILE A 5 9.579 -2.886 0.246 1.00 3.23 C ATOM 0 H ILE A 5 11.151 -3.726 -3.419 1.00 21.21 H new ATOM 0 HA ILE A 5 12.129 -2.593 -0.886 1.00 21.32 H new ATOM 0 HB ILE A 5 11.303 -5.499 -1.238 1.00 42.21 H new ATOM 0 HG12 ILE A 5 9.308 -4.105 -1.484 1.00 44.45 H new ATOM 0 HG13 ILE A 5 9.277 -4.987 0.031 1.00 44.45 H new ATOM 0 HG21 ILE A 5 11.407 -5.515 1.223 1.00 21.11 H new ATOM 0 HG22 ILE A 5 12.968 -5.054 0.502 1.00 21.11 H new ATOM 0 HG23 ILE A 5 11.911 -3.808 1.210 1.00 21.11 H new ATOM 0 HD11 ILE A 5 8.512 -2.684 0.341 1.00 3.23 H new ATOM 0 HD12 ILE A 5 10.023 -2.967 1.238 1.00 3.23 H new ATOM 0 HD13 ILE A 5 10.055 -2.071 -0.300 1.00 3.23 H new ATOM 69 N HIS A 6 14.371 -3.714 -1.168 1.00 53.11 N ATOM 70 CA HIS A 6 15.722 -4.170 -1.476 1.00 54.11 C ATOM 71 C HIS A 6 16.446 -4.618 -0.210 1.00 13.51 C ATOM 72 O HIS A 6 16.168 -4.124 0.883 1.00 32.14 O ATOM 73 CB HIS A 6 16.513 -3.058 -2.164 1.00 45.24 C ATOM 74 CG HIS A 6 16.942 -1.964 -1.235 1.00 73.10 C ATOM 75 ND1 HIS A 6 18.253 -1.558 -1.104 1.00 20.53 N ATOM 76 CD2 HIS A 6 16.223 -1.189 -0.390 1.00 2.24 C ATOM 77 CE1 HIS A 6 18.323 -0.582 -0.216 1.00 71.34 C ATOM 78 NE2 HIS A 6 17.104 -0.339 0.232 1.00 45.43 N ATOM 0 H HIS A 6 14.298 -3.158 -0.316 1.00 53.11 H new ATOM 0 HA HIS A 6 15.647 -5.023 -2.151 1.00 54.11 H new ATOM 0 HB2 HIS A 6 17.396 -3.490 -2.635 1.00 45.24 H new ATOM 0 HB3 HIS A 6 15.904 -2.629 -2.960 1.00 45.24 H new ATOM 0 HD2 HIS A 6 15.155 -1.231 -0.234 1.00 2.24 H new ATOM 0 HE1 HIS A 6 19.223 -0.070 0.091 1.00 71.34 H new ATOM 0 HE2 HIS A 6 16.857 0.366 0.927 1.00 45.43 H new ATOM 86 N TYR A 7 17.374 -5.555 -0.365 1.00 41.23 N ATOM 87 CA TYR A 7 18.136 -6.071 0.766 1.00 74.23 C ATOM 88 C TYR A 7 19.634 -6.019 0.483 1.00 31.20 C ATOM 89 O TYR A 7 20.056 -5.747 -0.641 1.00 31.21 O ATOM 90 CB TYR A 7 17.714 -7.508 1.078 1.00 12.01 C ATOM 91 CG TYR A 7 16.217 -7.721 1.042 1.00 63.10 C ATOM 92 CD1 TYR A 7 15.354 -6.828 1.665 1.00 74.24 C ATOM 93 CD2 TYR A 7 15.667 -8.816 0.386 1.00 1.55 C ATOM 94 CE1 TYR A 7 13.986 -7.019 1.635 1.00 73.21 C ATOM 95 CE2 TYR A 7 14.300 -9.014 0.350 1.00 4.44 C ATOM 96 CZ TYR A 7 13.464 -8.113 0.976 1.00 10.12 C ATOM 97 OH TYR A 7 12.102 -8.307 0.944 1.00 61.52 O ATOM 0 H TYR A 7 17.617 -5.973 -1.263 1.00 41.23 H new ATOM 0 HA TYR A 7 17.926 -5.441 1.631 1.00 74.23 H new ATOM 0 HB2 TYR A 7 18.185 -8.180 0.361 1.00 12.01 H new ATOM 0 HB3 TYR A 7 18.088 -7.781 2.065 1.00 12.01 H new ATOM 0 HD1 TYR A 7 15.759 -5.970 2.181 1.00 74.24 H new ATOM 0 HD2 TYR A 7 16.319 -9.524 -0.104 1.00 1.55 H new ATOM 0 HE1 TYR A 7 13.329 -6.316 2.125 1.00 73.21 H new ATOM 0 HE2 TYR A 7 13.888 -9.869 -0.165 1.00 4.44 H new ATOM 0 HH TYR A 7 11.726 -7.858 0.158 1.00 61.52 H new ATOM 107 N SER A 8 20.433 -6.283 1.512 1.00 41.11 N ATOM 108 CA SER A 8 21.885 -6.263 1.377 1.00 71.42 C ATOM 109 C SER A 8 22.495 -7.566 1.884 1.00 62.52 C ATOM 110 O SER A 8 22.127 -8.064 2.948 1.00 31.12 O ATOM 111 CB SER A 8 22.474 -5.078 2.145 1.00 72.44 C ATOM 112 OG SER A 8 22.501 -3.912 1.340 1.00 63.20 O ATOM 0 H SER A 8 20.100 -6.513 2.448 1.00 41.11 H new ATOM 0 HA SER A 8 22.126 -6.156 0.319 1.00 71.42 H new ATOM 0 HB2 SER A 8 21.883 -4.891 3.041 1.00 72.44 H new ATOM 0 HB3 SER A 8 23.484 -5.320 2.474 1.00 72.44 H new ATOM 0 HG SER A 8 22.880 -3.168 1.854 1.00 63.20 H new ATOM 118 N ILE A 9 23.430 -8.113 1.114 1.00 71.41 N ATOM 119 CA ILE A 9 24.093 -9.358 1.485 1.00 54.42 C ATOM 120 C ILE A 9 25.507 -9.417 0.919 1.00 4.20 C ATOM 121 O ILE A 9 25.725 -9.303 -0.287 1.00 65.03 O ATOM 122 CB ILE A 9 23.303 -10.585 0.992 1.00 51.40 C ATOM 123 CG1 ILE A 9 24.136 -11.857 1.164 1.00 54.35 C ATOM 124 CG2 ILE A 9 22.896 -10.403 -0.463 1.00 22.32 C ATOM 125 CD1 ILE A 9 23.370 -13.126 0.860 1.00 11.50 C ATOM 0 H ILE A 9 23.746 -7.714 0.230 1.00 71.41 H new ATOM 0 HA ILE A 9 24.139 -9.379 2.574 1.00 54.42 H new ATOM 0 HB ILE A 9 22.398 -10.682 1.592 1.00 51.40 H new ATOM 0 HG12 ILE A 9 25.007 -11.802 0.511 1.00 54.35 H new ATOM 0 HG13 ILE A 9 24.508 -11.903 2.188 1.00 54.35 H new ATOM 0 HG21 ILE A 9 22.339 -11.278 -0.797 1.00 22.32 H new ATOM 0 HG22 ILE A 9 22.270 -9.516 -0.557 1.00 22.32 H new ATOM 0 HG23 ILE A 9 23.788 -10.284 -1.078 1.00 22.32 H new ATOM 0 HD11 ILE A 9 24.022 -13.988 1.003 1.00 11.50 H new ATOM 0 HD12 ILE A 9 22.514 -13.204 1.530 1.00 11.50 H new ATOM 0 HD13 ILE A 9 23.021 -13.102 -0.172 1.00 11.50 H new ATOM 137 N PRO A 10 26.493 -9.601 1.809 1.00 5.25 N ATOM 138 CA PRO A 10 27.905 -9.682 1.422 1.00 31.10 C ATOM 139 C PRO A 10 28.223 -10.962 0.658 1.00 64.45 C ATOM 140 O PRO A 10 27.760 -12.043 1.020 1.00 61.23 O ATOM 141 CB PRO A 10 28.643 -9.662 2.763 1.00 34.51 C ATOM 142 CG PRO A 10 27.657 -10.196 3.745 1.00 3.42 C ATOM 143 CD PRO A 10 26.306 -9.744 3.263 1.00 64.50 C ATOM 0 HA PRO A 10 28.191 -8.872 0.751 1.00 31.10 H new ATOM 0 HB2 PRO A 10 29.542 -10.278 2.730 1.00 34.51 H new ATOM 0 HB3 PRO A 10 28.958 -8.652 3.027 1.00 34.51 H new ATOM 0 HG2 PRO A 10 27.709 -11.283 3.798 1.00 3.42 H new ATOM 0 HG3 PRO A 10 27.860 -9.818 4.747 1.00 3.42 H new ATOM 0 HD2 PRO A 10 25.531 -10.473 3.499 1.00 64.50 H new ATOM 0 HD3 PRO A 10 26.009 -8.802 3.725 1.00 64.50 H new ATOM 151 N GLU A 11 29.017 -10.832 -0.401 1.00 23.41 N ATOM 152 CA GLU A 11 29.397 -11.980 -1.216 1.00 33.51 C ATOM 153 C GLU A 11 29.885 -13.131 -0.341 1.00 31.42 C ATOM 154 O GLU A 11 30.183 -12.944 0.838 1.00 23.21 O ATOM 155 CB GLU A 11 30.487 -11.587 -2.215 1.00 11.11 C ATOM 156 CG GLU A 11 30.026 -10.577 -3.252 1.00 50.31 C ATOM 157 CD GLU A 11 29.282 -11.222 -4.405 1.00 30.41 C ATOM 158 OE1 GLU A 11 28.758 -12.341 -4.221 1.00 52.24 O ATOM 159 OE2 GLU A 11 29.224 -10.608 -5.491 1.00 31.31 O ATOM 0 H GLU A 11 29.409 -9.944 -0.714 1.00 23.41 H new ATOM 0 HA GLU A 11 28.515 -12.311 -1.764 1.00 33.51 H new ATOM 0 HB2 GLU A 11 31.336 -11.174 -1.670 1.00 11.11 H new ATOM 0 HB3 GLU A 11 30.841 -12.483 -2.725 1.00 11.11 H new ATOM 0 HG2 GLU A 11 29.380 -9.841 -2.774 1.00 50.31 H new ATOM 0 HG3 GLU A 11 30.891 -10.039 -3.639 1.00 50.31 H new ATOM 166 N GLU A 12 29.963 -14.322 -0.928 1.00 14.32 N ATOM 167 CA GLU A 12 30.413 -15.503 -0.201 1.00 50.02 C ATOM 168 C GLU A 12 29.434 -15.863 0.912 1.00 34.13 C ATOM 169 O GLU A 12 29.805 -16.497 1.899 1.00 24.13 O ATOM 170 CB GLU A 12 31.806 -15.267 0.386 1.00 30.34 C ATOM 171 CG GLU A 12 32.784 -16.395 0.104 1.00 24.02 C ATOM 172 CD GLU A 12 33.563 -16.814 1.336 1.00 35.33 C ATOM 173 OE1 GLU A 12 34.025 -15.922 2.077 1.00 2.42 O ATOM 174 OE2 GLU A 12 33.709 -18.034 1.560 1.00 41.04 O ATOM 0 H GLU A 12 29.721 -14.494 -1.904 1.00 14.32 H new ATOM 0 HA GLU A 12 30.459 -16.335 -0.903 1.00 50.02 H new ATOM 0 HB2 GLU A 12 32.209 -14.338 -0.018 1.00 30.34 H new ATOM 0 HB3 GLU A 12 31.719 -15.134 1.464 1.00 30.34 H new ATOM 0 HG2 GLU A 12 32.239 -17.254 -0.286 1.00 24.02 H new ATOM 0 HG3 GLU A 12 33.481 -16.081 -0.673 1.00 24.02 H new ATOM 181 N ALA A 13 28.180 -15.453 0.745 1.00 25.15 N ATOM 182 CA ALA A 13 27.147 -15.733 1.735 1.00 61.24 C ATOM 183 C ALA A 13 26.626 -17.160 1.595 1.00 2.45 C ATOM 184 O ALA A 13 25.888 -17.474 0.662 1.00 62.15 O ATOM 185 CB ALA A 13 26.005 -14.737 1.601 1.00 11.21 C ATOM 0 H ALA A 13 27.856 -14.926 -0.066 1.00 25.15 H new ATOM 0 HA ALA A 13 27.590 -15.631 2.726 1.00 61.24 H new ATOM 0 HB1 ALA A 13 25.241 -14.958 2.346 1.00 11.21 H new ATOM 0 HB2 ALA A 13 26.383 -13.727 1.757 1.00 11.21 H new ATOM 0 HB3 ALA A 13 25.572 -14.812 0.604 1.00 11.21 H new ATOM 191 N LYS A 14 27.015 -18.020 2.530 1.00 64.31 N ATOM 192 CA LYS A 14 26.588 -19.414 2.513 1.00 72.22 C ATOM 193 C LYS A 14 25.088 -19.526 2.768 1.00 62.40 C ATOM 194 O LYS A 14 24.480 -18.632 3.357 1.00 31.54 O ATOM 195 CB LYS A 14 27.356 -20.218 3.564 1.00 4.22 C ATOM 196 CG LYS A 14 28.707 -20.716 3.081 1.00 24.12 C ATOM 197 CD LYS A 14 29.842 -20.153 3.920 1.00 1.32 C ATOM 198 CE LYS A 14 31.175 -20.785 3.551 1.00 3.11 C ATOM 199 NZ LYS A 14 31.562 -20.484 2.145 1.00 54.42 N ATOM 0 H LYS A 14 27.626 -17.776 3.310 1.00 64.31 H new ATOM 0 HA LYS A 14 26.803 -19.822 1.525 1.00 72.22 H new ATOM 0 HB2 LYS A 14 27.502 -19.598 4.449 1.00 4.22 H new ATOM 0 HB3 LYS A 14 26.751 -21.072 3.869 1.00 4.22 H new ATOM 0 HG2 LYS A 14 28.730 -21.805 3.121 1.00 24.12 H new ATOM 0 HG3 LYS A 14 28.849 -20.432 2.038 1.00 24.12 H new ATOM 0 HD2 LYS A 14 29.899 -19.074 3.780 1.00 1.32 H new ATOM 0 HD3 LYS A 14 29.636 -20.327 4.976 1.00 1.32 H new ATOM 0 HE2 LYS A 14 31.949 -20.421 4.226 1.00 3.11 H new ATOM 0 HE3 LYS A 14 31.115 -21.865 3.688 1.00 3.11 H new ATOM 0 HZ1 LYS A 14 32.520 -20.845 1.964 1.00 54.42 H new ATOM 0 HZ2 LYS A 14 30.891 -20.941 1.495 1.00 54.42 H new ATOM 0 HZ3 LYS A 14 31.545 -19.455 1.993 1.00 54.42 H new ATOM 213 N HIS A 15 24.497 -20.631 2.322 1.00 45.52 N ATOM 214 CA HIS A 15 23.069 -20.860 2.504 1.00 33.22 C ATOM 215 C HIS A 15 22.671 -20.674 3.965 1.00 34.22 C ATOM 216 O HIS A 15 23.187 -21.354 4.851 1.00 31.10 O ATOM 217 CB HIS A 15 22.693 -22.266 2.036 1.00 31.52 C ATOM 218 CG HIS A 15 23.098 -22.556 0.624 1.00 44.03 C ATOM 219 ND1 HIS A 15 23.081 -23.823 0.081 1.00 63.35 N ATOM 220 CD2 HIS A 15 23.532 -21.733 -0.359 1.00 41.33 C ATOM 221 CE1 HIS A 15 23.489 -23.767 -1.175 1.00 34.31 C ATOM 222 NE2 HIS A 15 23.768 -22.510 -1.467 1.00 11.23 N ATOM 0 H HIS A 15 24.985 -21.381 1.832 1.00 45.52 H new ATOM 0 HA HIS A 15 22.529 -20.129 1.903 1.00 33.22 H new ATOM 0 HB2 HIS A 15 23.160 -22.997 2.696 1.00 31.52 H new ATOM 0 HB3 HIS A 15 21.615 -22.395 2.130 1.00 31.52 H new ATOM 0 HD1 HIS A 15 22.798 -24.671 0.572 1.00 63.35 H new ATOM 0 HD2 HIS A 15 23.668 -20.664 -0.286 1.00 41.33 H new ATOM 0 HE1 HIS A 15 23.579 -24.607 -1.848 1.00 34.31 H new ATOM 230 N GLY A 16 21.749 -19.747 4.209 1.00 30.34 N ATOM 231 CA GLY A 16 21.298 -19.488 5.564 1.00 23.12 C ATOM 232 C GLY A 16 21.840 -18.184 6.116 1.00 23.41 C ATOM 233 O GLY A 16 21.681 -17.888 7.301 1.00 73.13 O ATOM 0 H GLY A 16 21.307 -19.171 3.493 1.00 30.34 H new ATOM 0 HA2 GLY A 16 20.208 -19.462 5.582 1.00 23.12 H new ATOM 0 HA3 GLY A 16 21.608 -20.309 6.210 1.00 23.12 H new ATOM 237 N THR A 17 22.485 -17.402 5.256 1.00 24.22 N ATOM 238 CA THR A 17 23.055 -16.125 5.664 1.00 5.55 C ATOM 239 C THR A 17 22.005 -15.020 5.637 1.00 44.13 C ATOM 240 O THR A 17 21.134 -15.000 4.768 1.00 75.14 O ATOM 241 CB THR A 17 24.234 -15.720 4.759 1.00 52.04 C ATOM 242 OG1 THR A 17 25.284 -16.688 4.860 1.00 43.23 O ATOM 243 CG2 THR A 17 24.764 -14.347 5.142 1.00 41.44 C ATOM 0 H THR A 17 22.625 -17.631 4.272 1.00 24.22 H new ATOM 0 HA THR A 17 23.418 -16.253 6.684 1.00 5.55 H new ATOM 0 HB THR A 17 23.876 -15.679 3.730 1.00 52.04 H new ATOM 0 HG1 THR A 17 24.982 -17.539 4.479 1.00 43.23 H new ATOM 0 HG21 THR A 17 25.596 -14.083 4.489 1.00 41.44 H new ATOM 0 HG22 THR A 17 23.970 -13.608 5.035 1.00 41.44 H new ATOM 0 HG23 THR A 17 25.106 -14.365 6.177 1.00 41.44 H new ATOM 251 N PHE A 18 22.094 -14.101 6.593 1.00 64.14 N ATOM 252 CA PHE A 18 21.151 -12.992 6.678 1.00 60.44 C ATOM 253 C PHE A 18 21.215 -12.127 5.423 1.00 54.33 C ATOM 254 O PHE A 18 22.296 -11.821 4.920 1.00 51.12 O ATOM 255 CB PHE A 18 21.443 -12.140 7.914 1.00 2.12 C ATOM 256 CG PHE A 18 20.657 -10.861 7.960 1.00 44.32 C ATOM 257 CD1 PHE A 18 21.115 -9.728 7.306 1.00 14.33 C ATOM 258 CD2 PHE A 18 19.461 -10.791 8.656 1.00 63.44 C ATOM 259 CE1 PHE A 18 20.394 -8.549 7.347 1.00 32.25 C ATOM 260 CE2 PHE A 18 18.736 -9.616 8.700 1.00 52.31 C ATOM 261 CZ PHE A 18 19.202 -8.493 8.044 1.00 63.40 C ATOM 0 H PHE A 18 22.810 -14.102 7.320 1.00 64.14 H new ATOM 0 HA PHE A 18 20.147 -13.407 6.761 1.00 60.44 H new ATOM 0 HB2 PHE A 18 21.224 -12.724 8.808 1.00 2.12 H new ATOM 0 HB3 PHE A 18 22.507 -11.904 7.940 1.00 2.12 H new ATOM 0 HD1 PHE A 18 22.045 -9.767 6.758 1.00 14.33 H new ATOM 0 HD2 PHE A 18 19.091 -11.666 9.170 1.00 63.44 H new ATOM 0 HE1 PHE A 18 20.762 -7.672 6.835 1.00 32.25 H new ATOM 0 HE2 PHE A 18 17.806 -9.575 9.247 1.00 52.31 H new ATOM 0 HZ PHE A 18 18.636 -7.574 8.076 1.00 63.40 H new ATOM 271 N VAL A 19 20.047 -11.735 4.921 1.00 24.22 N ATOM 272 CA VAL A 19 19.969 -10.905 3.726 1.00 40.45 C ATOM 273 C VAL A 19 19.223 -9.605 4.007 1.00 23.11 C ATOM 274 O VAL A 19 19.629 -8.534 3.557 1.00 74.32 O ATOM 275 CB VAL A 19 19.268 -11.646 2.572 1.00 61.22 C ATOM 276 CG1 VAL A 19 19.254 -10.788 1.316 1.00 60.42 C ATOM 277 CG2 VAL A 19 19.947 -12.982 2.308 1.00 54.14 C ATOM 0 H VAL A 19 19.143 -11.980 5.324 1.00 24.22 H new ATOM 0 HA VAL A 19 20.994 -10.677 3.432 1.00 40.45 H new ATOM 0 HB VAL A 19 18.235 -11.840 2.861 1.00 61.22 H new ATOM 0 HG11 VAL A 19 18.755 -11.328 0.512 1.00 60.42 H new ATOM 0 HG12 VAL A 19 18.719 -9.859 1.516 1.00 60.42 H new ATOM 0 HG13 VAL A 19 20.278 -10.561 1.019 1.00 60.42 H new ATOM 0 HG21 VAL A 19 19.439 -13.493 1.490 1.00 54.14 H new ATOM 0 HG22 VAL A 19 20.990 -12.813 2.039 1.00 54.14 H new ATOM 0 HG23 VAL A 19 19.899 -13.598 3.206 1.00 54.14 H new ATOM 287 N GLY A 20 18.130 -9.707 4.757 1.00 54.04 N ATOM 288 CA GLY A 20 17.344 -8.532 5.086 1.00 21.12 C ATOM 289 C GLY A 20 15.927 -8.879 5.497 1.00 11.22 C ATOM 290 O GLY A 20 15.421 -9.951 5.164 1.00 45.21 O ATOM 0 H GLY A 20 17.775 -10.582 5.143 1.00 54.04 H new ATOM 0 HA2 GLY A 20 17.831 -7.988 5.895 1.00 21.12 H new ATOM 0 HA3 GLY A 20 17.316 -7.864 4.225 1.00 21.12 H new ATOM 294 N ARG A 21 15.284 -7.971 6.224 1.00 4.34 N ATOM 295 CA ARG A 21 13.918 -8.187 6.684 1.00 71.41 C ATOM 296 C ARG A 21 12.922 -7.978 5.547 1.00 63.44 C ATOM 297 O ARG A 21 12.552 -6.847 5.233 1.00 11.41 O ATOM 298 CB ARG A 21 13.591 -7.243 7.842 1.00 31.22 C ATOM 299 CG ARG A 21 14.715 -7.113 8.857 1.00 15.34 C ATOM 300 CD ARG A 21 15.378 -5.747 8.781 1.00 0.55 C ATOM 301 NE ARG A 21 16.796 -5.807 9.124 1.00 24.03 N ATOM 302 CZ ARG A 21 17.246 -6.028 10.355 1.00 43.45 C ATOM 303 NH1 ARG A 21 16.393 -6.208 11.353 1.00 24.15 N ATOM 304 NH2 ARG A 21 18.552 -6.069 10.587 1.00 10.54 N ATOM 0 H ARG A 21 15.688 -7.078 6.507 1.00 4.34 H new ATOM 0 HA ARG A 21 13.837 -9.217 7.031 1.00 71.41 H new ATOM 0 HB2 ARG A 21 13.359 -6.256 7.441 1.00 31.22 H new ATOM 0 HB3 ARG A 21 12.694 -7.600 8.349 1.00 31.22 H new ATOM 0 HG2 ARG A 21 14.321 -7.272 9.861 1.00 15.34 H new ATOM 0 HG3 ARG A 21 15.459 -7.890 8.680 1.00 15.34 H new ATOM 0 HD2 ARG A 21 15.265 -5.345 7.774 1.00 0.55 H new ATOM 0 HD3 ARG A 21 14.870 -5.059 9.457 1.00 0.55 H new ATOM 0 HE ARG A 21 17.479 -5.672 8.378 1.00 24.03 H new ATOM 0 HH11 ARG A 21 15.389 -6.177 11.177 1.00 24.15 H new ATOM 0 HH12 ARG A 21 16.741 -6.377 12.297 1.00 24.15 H new ATOM 0 HH21 ARG A 21 19.211 -5.931 9.821 1.00 10.54 H new ATOM 0 HH22 ARG A 21 18.897 -6.239 11.532 1.00 10.54 H new ATOM 318 N ILE A 22 12.494 -9.076 4.933 1.00 70.31 N ATOM 319 CA ILE A 22 11.541 -9.013 3.831 1.00 4.15 C ATOM 320 C ILE A 22 10.135 -8.710 4.338 1.00 61.44 C ATOM 321 O ILE A 22 9.399 -7.933 3.730 1.00 64.53 O ATOM 322 CB ILE A 22 11.515 -10.330 3.033 1.00 4.32 C ATOM 323 CG1 ILE A 22 10.357 -10.323 2.034 1.00 52.33 C ATOM 324 CG2 ILE A 22 11.402 -11.518 3.976 1.00 73.42 C ATOM 325 CD1 ILE A 22 10.612 -11.170 0.807 1.00 61.11 C ATOM 0 H ILE A 22 12.792 -10.020 5.180 1.00 70.31 H new ATOM 0 HA ILE A 22 11.870 -8.207 3.175 1.00 4.15 H new ATOM 0 HB ILE A 22 12.448 -10.420 2.477 1.00 4.32 H new ATOM 0 HG12 ILE A 22 9.456 -10.681 2.532 1.00 52.33 H new ATOM 0 HG13 ILE A 22 10.162 -9.297 1.723 1.00 52.33 H new ATOM 0 HG21 ILE A 22 11.385 -12.442 3.397 1.00 73.42 H new ATOM 0 HG22 ILE A 22 12.257 -11.529 4.652 1.00 73.42 H new ATOM 0 HG23 ILE A 22 10.483 -11.436 4.556 1.00 73.42 H new ATOM 0 HD11 ILE A 22 9.749 -11.118 0.143 1.00 61.11 H new ATOM 0 HD12 ILE A 22 11.494 -10.799 0.285 1.00 61.11 H new ATOM 0 HD13 ILE A 22 10.777 -12.205 1.107 1.00 61.11 H new ATOM 337 N ALA A 23 9.769 -9.329 5.456 1.00 52.54 N ATOM 338 CA ALA A 23 8.452 -9.123 6.046 1.00 3.43 C ATOM 339 C ALA A 23 8.336 -7.730 6.656 1.00 1.13 C ATOM 340 O ALA A 23 7.328 -7.047 6.479 1.00 75.43 O ATOM 341 CB ALA A 23 8.173 -10.186 7.098 1.00 62.43 C ATOM 0 H ALA A 23 10.366 -9.977 5.971 1.00 52.54 H new ATOM 0 HA ALA A 23 7.709 -9.208 5.253 1.00 3.43 H new ATOM 0 HB1 ALA A 23 7.186 -10.020 7.530 1.00 62.43 H new ATOM 0 HB2 ALA A 23 8.205 -11.173 6.636 1.00 62.43 H new ATOM 0 HB3 ALA A 23 8.927 -10.128 7.883 1.00 62.43 H new ATOM 347 N GLN A 24 9.374 -7.316 7.376 1.00 51.52 N ATOM 348 CA GLN A 24 9.386 -6.004 8.013 1.00 22.11 C ATOM 349 C GLN A 24 9.244 -4.894 6.977 1.00 35.11 C ATOM 350 O GLN A 24 8.518 -3.922 7.190 1.00 61.40 O ATOM 351 CB GLN A 24 10.679 -5.812 8.809 1.00 74.44 C ATOM 352 CG GLN A 24 10.605 -4.686 9.827 1.00 40.25 C ATOM 353 CD GLN A 24 11.581 -3.565 9.528 1.00 53.42 C ATOM 354 OE1 GLN A 24 11.328 -2.719 8.669 1.00 2.44 O ATOM 355 NE2 GLN A 24 12.704 -3.552 10.237 1.00 74.15 N ATOM 0 H GLN A 24 10.216 -7.869 7.533 1.00 51.52 H new ATOM 0 HA GLN A 24 8.537 -5.951 8.694 1.00 22.11 H new ATOM 0 HB2 GLN A 24 10.920 -6.742 9.325 1.00 74.44 H new ATOM 0 HB3 GLN A 24 11.496 -5.611 8.116 1.00 74.44 H new ATOM 0 HG2 GLN A 24 9.592 -4.285 9.847 1.00 40.25 H new ATOM 0 HG3 GLN A 24 10.809 -5.085 10.820 1.00 40.25 H new ATOM 0 HE21 GLN A 24 12.872 -4.273 10.939 1.00 74.15 H new ATOM 0 HE22 GLN A 24 13.398 -2.821 10.080 1.00 74.15 H new ATOM 364 N ASP A 25 9.940 -5.045 5.856 1.00 1.10 N ATOM 365 CA ASP A 25 9.890 -4.055 4.786 1.00 25.30 C ATOM 366 C ASP A 25 8.581 -4.159 4.010 1.00 64.52 C ATOM 367 O ASP A 25 8.166 -3.211 3.342 1.00 60.40 O ATOM 368 CB ASP A 25 11.076 -4.239 3.837 1.00 3.35 C ATOM 369 CG ASP A 25 12.410 -4.129 4.550 1.00 31.10 C ATOM 370 OD1 ASP A 25 12.436 -3.601 5.681 1.00 1.11 O ATOM 371 OD2 ASP A 25 13.428 -4.571 3.976 1.00 13.32 O ATOM 0 H ASP A 25 10.545 -5.843 5.664 1.00 1.10 H new ATOM 0 HA ASP A 25 9.946 -3.065 5.238 1.00 25.30 H new ATOM 0 HB2 ASP A 25 11.004 -5.214 3.355 1.00 3.35 H new ATOM 0 HB3 ASP A 25 11.026 -3.489 3.048 1.00 3.35 H new ATOM 376 N LEU A 26 7.936 -5.317 4.101 1.00 61.00 N ATOM 377 CA LEU A 26 6.674 -5.546 3.406 1.00 32.14 C ATOM 378 C LEU A 26 5.502 -4.987 4.207 1.00 3.03 C ATOM 379 O LEU A 26 4.573 -4.409 3.646 1.00 52.12 O ATOM 380 CB LEU A 26 6.469 -7.042 3.159 1.00 45.33 C ATOM 381 CG LEU A 26 6.733 -7.528 1.733 1.00 31.01 C ATOM 382 CD1 LEU A 26 8.129 -7.127 1.282 1.00 73.13 C ATOM 383 CD2 LEU A 26 6.554 -9.037 1.643 1.00 52.54 C ATOM 0 H LEU A 26 8.266 -6.112 4.649 1.00 61.00 H new ATOM 0 HA LEU A 26 6.716 -5.028 2.448 1.00 32.14 H new ATOM 0 HB2 LEU A 26 7.120 -7.595 3.836 1.00 45.33 H new ATOM 0 HB3 LEU A 26 5.443 -7.297 3.424 1.00 45.33 H new ATOM 0 HG LEU A 26 6.010 -7.056 1.068 1.00 31.01 H new ATOM 0 HD11 LEU A 26 8.299 -7.481 0.265 1.00 73.13 H new ATOM 0 HD12 LEU A 26 8.222 -6.041 1.308 1.00 73.13 H new ATOM 0 HD13 LEU A 26 8.868 -7.571 1.949 1.00 73.13 H new ATOM 0 HD21 LEU A 26 6.746 -9.366 0.622 1.00 52.54 H new ATOM 0 HD22 LEU A 26 7.254 -9.527 2.319 1.00 52.54 H new ATOM 0 HD23 LEU A 26 5.534 -9.300 1.923 1.00 52.54 H new ATOM 395 N GLY A 27 5.555 -5.162 5.524 1.00 2.34 N ATOM 396 CA GLY A 27 4.494 -4.667 6.382 1.00 72.14 C ATOM 397 C GLY A 27 3.440 -5.719 6.665 1.00 53.12 C ATOM 398 O GLY A 27 2.247 -5.415 6.720 1.00 4.44 O ATOM 0 H GLY A 27 6.314 -5.638 6.012 1.00 2.34 H new ATOM 0 HA2 GLY A 27 4.923 -4.324 7.324 1.00 72.14 H new ATOM 0 HA3 GLY A 27 4.024 -3.803 5.912 1.00 72.14 H new ATOM 402 N LEU A 28 3.878 -6.960 6.843 1.00 72.21 N ATOM 403 CA LEU A 28 2.963 -8.062 7.120 1.00 31.13 C ATOM 404 C LEU A 28 3.479 -8.922 8.269 1.00 20.33 C ATOM 405 O LEU A 28 4.682 -9.150 8.395 1.00 52.33 O ATOM 406 CB LEU A 28 2.775 -8.922 5.869 1.00 14.11 C ATOM 407 CG LEU A 28 3.784 -8.698 4.743 1.00 62.22 C ATOM 408 CD1 LEU A 28 5.168 -9.168 5.165 1.00 13.41 C ATOM 409 CD2 LEU A 28 3.339 -9.416 3.477 1.00 52.20 C ATOM 0 H LEU A 28 4.861 -7.229 6.801 1.00 72.21 H new ATOM 0 HA LEU A 28 2.001 -7.639 7.410 1.00 31.13 H new ATOM 0 HB2 LEU A 28 2.817 -9.971 6.164 1.00 14.11 H new ATOM 0 HB3 LEU A 28 1.775 -8.741 5.475 1.00 14.11 H new ATOM 0 HG LEU A 28 3.833 -7.630 4.533 1.00 62.22 H new ATOM 0 HD11 LEU A 28 5.873 -9.001 4.351 1.00 13.41 H new ATOM 0 HD12 LEU A 28 5.490 -8.609 6.044 1.00 13.41 H new ATOM 0 HD13 LEU A 28 5.134 -10.231 5.403 1.00 13.41 H new ATOM 0 HD21 LEU A 28 4.069 -9.245 2.686 1.00 52.20 H new ATOM 0 HD22 LEU A 28 3.260 -10.485 3.674 1.00 52.20 H new ATOM 0 HD23 LEU A 28 2.368 -9.032 3.163 1.00 52.20 H new ATOM 421 N GLU A 29 2.561 -9.399 9.104 1.00 74.12 N ATOM 422 CA GLU A 29 2.924 -10.236 10.242 1.00 51.44 C ATOM 423 C GLU A 29 3.341 -11.629 9.781 1.00 21.30 C ATOM 424 O GLU A 29 2.747 -12.196 8.863 1.00 41.14 O ATOM 425 CB GLU A 29 1.753 -10.339 11.221 1.00 20.42 C ATOM 426 CG GLU A 29 1.877 -9.412 12.419 1.00 62.34 C ATOM 427 CD GLU A 29 1.566 -7.969 12.074 1.00 54.14 C ATOM 428 OE1 GLU A 29 0.428 -7.694 11.640 1.00 75.45 O ATOM 429 OE2 GLU A 29 2.461 -7.114 12.238 1.00 12.23 O ATOM 0 H GLU A 29 1.561 -9.220 9.014 1.00 74.12 H new ATOM 0 HA GLU A 29 3.771 -9.771 10.748 1.00 51.44 H new ATOM 0 HB2 GLU A 29 0.827 -10.113 10.692 1.00 20.42 H new ATOM 0 HB3 GLU A 29 1.675 -11.367 11.574 1.00 20.42 H new ATOM 0 HG2 GLU A 29 1.201 -9.748 13.205 1.00 62.34 H new ATOM 0 HG3 GLU A 29 2.888 -9.476 12.820 1.00 62.34 H new ATOM 436 N LEU A 30 4.366 -12.176 10.425 1.00 65.25 N ATOM 437 CA LEU A 30 4.865 -13.504 10.082 1.00 52.33 C ATOM 438 C LEU A 30 3.768 -14.553 10.234 1.00 63.02 C ATOM 439 O LEU A 30 3.795 -15.595 9.578 1.00 51.02 O ATOM 440 CB LEU A 30 6.059 -13.866 10.966 1.00 2.22 C ATOM 441 CG LEU A 30 7.100 -12.765 11.173 1.00 52.54 C ATOM 442 CD1 LEU A 30 8.287 -13.293 11.962 1.00 63.41 C ATOM 443 CD2 LEU A 30 7.555 -12.203 9.834 1.00 53.25 C ATOM 0 H LEU A 30 4.868 -11.721 11.187 1.00 65.25 H new ATOM 0 HA LEU A 30 5.185 -13.487 9.040 1.00 52.33 H new ATOM 0 HB2 LEU A 30 5.683 -14.171 11.943 1.00 2.22 H new ATOM 0 HB3 LEU A 30 6.558 -14.733 10.532 1.00 2.22 H new ATOM 0 HG LEU A 30 6.639 -11.960 11.745 1.00 52.54 H new ATOM 0 HD11 LEU A 30 9.017 -12.495 12.099 1.00 63.41 H new ATOM 0 HD12 LEU A 30 7.948 -13.646 12.936 1.00 63.41 H new ATOM 0 HD13 LEU A 30 8.748 -14.117 11.418 1.00 63.41 H new ATOM 0 HD21 LEU A 30 8.296 -11.421 10.000 1.00 53.25 H new ATOM 0 HD22 LEU A 30 7.997 -13.000 9.236 1.00 53.25 H new ATOM 0 HD23 LEU A 30 6.699 -11.785 9.305 1.00 53.25 H new ATOM 455 N THR A 31 2.802 -14.271 11.102 1.00 2.54 N ATOM 456 CA THR A 31 1.696 -15.189 11.340 1.00 13.31 C ATOM 457 C THR A 31 0.594 -15.002 10.304 1.00 54.44 C ATOM 458 O THR A 31 -0.451 -15.648 10.373 1.00 53.34 O ATOM 459 CB THR A 31 1.099 -14.997 12.747 1.00 21.23 C ATOM 460 OG1 THR A 31 0.769 -13.620 12.956 1.00 53.40 O ATOM 461 CG2 THR A 31 2.078 -15.457 13.817 1.00 0.22 C ATOM 0 H THR A 31 2.763 -13.413 11.652 1.00 2.54 H new ATOM 0 HA THR A 31 2.100 -16.198 11.259 1.00 13.31 H new ATOM 0 HB THR A 31 0.195 -15.601 12.819 1.00 21.23 H new ATOM 0 HG1 THR A 31 0.389 -13.507 13.852 1.00 53.40 H new ATOM 0 HG21 THR A 31 1.635 -15.312 14.802 1.00 0.22 H new ATOM 0 HG22 THR A 31 2.304 -16.513 13.673 1.00 0.22 H new ATOM 0 HG23 THR A 31 2.997 -14.876 13.743 1.00 0.22 H new ATOM 469 N GLU A 32 0.835 -14.114 9.344 1.00 71.24 N ATOM 470 CA GLU A 32 -0.139 -13.843 8.293 1.00 60.13 C ATOM 471 C GLU A 32 0.373 -14.327 6.939 1.00 52.32 C ATOM 472 O GLU A 32 -0.399 -14.492 5.993 1.00 13.14 O ATOM 473 CB GLU A 32 -0.449 -12.346 8.228 1.00 71.11 C ATOM 474 CG GLU A 32 -1.903 -12.039 7.912 1.00 52.13 C ATOM 475 CD GLU A 32 -2.821 -12.282 9.094 1.00 52.31 C ATOM 476 OE1 GLU A 32 -2.758 -11.500 10.065 1.00 0.13 O ATOM 477 OE2 GLU A 32 -3.603 -13.254 9.047 1.00 73.32 O ATOM 0 H GLU A 32 1.695 -13.571 9.273 1.00 71.24 H new ATOM 0 HA GLU A 32 -1.054 -14.386 8.532 1.00 60.13 H new ATOM 0 HB2 GLU A 32 -0.189 -11.888 9.182 1.00 71.11 H new ATOM 0 HB3 GLU A 32 0.184 -11.885 7.470 1.00 71.11 H new ATOM 0 HG2 GLU A 32 -1.991 -10.999 7.597 1.00 52.13 H new ATOM 0 HG3 GLU A 32 -2.226 -12.655 7.073 1.00 52.13 H new ATOM 484 N LEU A 33 1.679 -14.551 6.853 1.00 62.31 N ATOM 485 CA LEU A 33 2.296 -15.015 5.615 1.00 71.50 C ATOM 486 C LEU A 33 1.833 -16.428 5.272 1.00 23.04 C ATOM 487 O LEU A 33 1.533 -16.732 4.118 1.00 44.54 O ATOM 488 CB LEU A 33 3.820 -14.981 5.737 1.00 23.55 C ATOM 489 CG LEU A 33 4.493 -13.656 5.380 1.00 11.53 C ATOM 490 CD1 LEU A 33 3.988 -12.541 6.283 1.00 1.32 C ATOM 491 CD2 LEU A 33 6.006 -13.781 5.480 1.00 22.32 C ATOM 0 H LEU A 33 2.332 -14.419 7.626 1.00 62.31 H new ATOM 0 HA LEU A 33 1.987 -14.346 4.812 1.00 71.50 H new ATOM 0 HB2 LEU A 33 4.088 -15.237 6.762 1.00 23.55 H new ATOM 0 HB3 LEU A 33 4.233 -15.760 5.096 1.00 23.55 H new ATOM 0 HG LEU A 33 4.237 -13.407 4.350 1.00 11.53 H new ATOM 0 HD11 LEU A 33 4.478 -11.605 6.014 1.00 1.32 H new ATOM 0 HD12 LEU A 33 2.910 -12.434 6.161 1.00 1.32 H new ATOM 0 HD13 LEU A 33 4.213 -12.784 7.321 1.00 1.32 H new ATOM 0 HD21 LEU A 33 6.468 -12.828 5.222 1.00 22.32 H new ATOM 0 HD22 LEU A 33 6.282 -14.054 6.498 1.00 22.32 H new ATOM 0 HD23 LEU A 33 6.354 -14.551 4.791 1.00 22.32 H new ATOM 503 N VAL A 34 1.776 -17.288 6.284 1.00 34.13 N ATOM 504 CA VAL A 34 1.346 -18.668 6.091 1.00 0.13 C ATOM 505 C VAL A 34 -0.001 -18.730 5.379 1.00 5.22 C ATOM 506 O VAL A 34 -0.139 -19.327 4.312 1.00 75.33 O ATOM 507 CB VAL A 34 1.239 -19.416 7.434 1.00 43.53 C ATOM 508 CG1 VAL A 34 0.155 -20.481 7.367 1.00 4.32 C ATOM 509 CG2 VAL A 34 2.579 -20.030 7.809 1.00 5.41 C ATOM 0 H VAL A 34 2.022 -17.053 7.246 1.00 34.13 H new ATOM 0 HA VAL A 34 2.103 -19.151 5.473 1.00 0.13 H new ATOM 0 HB VAL A 34 0.964 -18.700 8.208 1.00 43.53 H new ATOM 0 HG11 VAL A 34 0.094 -20.999 8.324 1.00 4.32 H new ATOM 0 HG12 VAL A 34 -0.804 -20.011 7.147 1.00 4.32 H new ATOM 0 HG13 VAL A 34 0.397 -21.197 6.582 1.00 4.32 H new ATOM 0 HG21 VAL A 34 2.486 -20.554 8.760 1.00 5.41 H new ATOM 0 HG22 VAL A 34 2.886 -20.734 7.035 1.00 5.41 H new ATOM 0 HG23 VAL A 34 3.327 -19.243 7.901 1.00 5.41 H new ATOM 519 N PRO A 35 -1.018 -18.097 5.982 1.00 32.30 N ATOM 520 CA PRO A 35 -2.373 -18.065 5.423 1.00 42.25 C ATOM 521 C PRO A 35 -2.459 -17.210 4.163 1.00 72.03 C ATOM 522 O PRO A 35 -3.428 -17.297 3.408 1.00 41.41 O ATOM 523 CB PRO A 35 -3.206 -17.445 6.547 1.00 33.41 C ATOM 524 CG PRO A 35 -2.236 -16.634 7.334 1.00 15.35 C ATOM 525 CD PRO A 35 -0.925 -17.365 7.256 1.00 42.20 C ATOM 0 HA PRO A 35 -2.712 -19.055 5.119 1.00 42.25 H new ATOM 0 HB2 PRO A 35 -4.009 -16.825 6.149 1.00 33.41 H new ATOM 0 HB3 PRO A 35 -3.672 -18.213 7.164 1.00 33.41 H new ATOM 0 HG2 PRO A 35 -2.146 -15.628 6.925 1.00 15.35 H new ATOM 0 HG3 PRO A 35 -2.564 -16.530 8.368 1.00 15.35 H new ATOM 0 HD2 PRO A 35 -0.080 -16.677 7.263 1.00 42.20 H new ATOM 0 HD3 PRO A 35 -0.792 -18.042 8.100 1.00 42.20 H new ATOM 533 N ARG A 36 -1.441 -16.386 3.941 1.00 4.45 N ATOM 534 CA ARG A 36 -1.403 -15.515 2.773 1.00 45.31 C ATOM 535 C ARG A 36 -0.738 -16.217 1.593 1.00 72.35 C ATOM 536 O ARG A 36 -0.416 -15.589 0.584 1.00 44.25 O ATOM 537 CB ARG A 36 -0.653 -14.222 3.098 1.00 5.44 C ATOM 538 CG ARG A 36 -1.530 -13.149 3.722 1.00 33.04 C ATOM 539 CD ARG A 36 -0.698 -12.081 4.414 1.00 22.15 C ATOM 540 NE ARG A 36 -0.865 -10.770 3.794 1.00 44.40 N ATOM 541 CZ ARG A 36 -1.959 -10.028 3.926 1.00 5.22 C ATOM 542 NH1 ARG A 36 -2.977 -10.466 4.653 1.00 21.13 N ATOM 543 NH2 ARG A 36 -2.035 -8.844 3.331 1.00 72.53 N ATOM 0 H ARG A 36 -0.631 -16.303 4.555 1.00 4.45 H new ATOM 0 HA ARG A 36 -2.430 -15.273 2.499 1.00 45.31 H new ATOM 0 HB2 ARG A 36 0.168 -14.449 3.778 1.00 5.44 H new ATOM 0 HB3 ARG A 36 -0.209 -13.830 2.183 1.00 5.44 H new ATOM 0 HG2 ARG A 36 -2.147 -12.688 2.951 1.00 33.04 H new ATOM 0 HG3 ARG A 36 -2.209 -13.606 4.442 1.00 33.04 H new ATOM 0 HD2 ARG A 36 -0.983 -12.024 5.465 1.00 22.15 H new ATOM 0 HD3 ARG A 36 0.354 -12.365 4.384 1.00 22.15 H new ATOM 0 HE ARG A 36 -0.100 -10.403 3.228 1.00 44.40 H new ATOM 0 HH11 ARG A 36 -2.922 -11.375 5.113 1.00 21.13 H new ATOM 0 HH12 ARG A 36 -3.816 -9.894 4.753 1.00 21.13 H new ATOM 0 HH21 ARG A 36 -1.253 -8.503 2.772 1.00 72.53 H new ATOM 0 HH22 ARG A 36 -2.875 -8.275 3.433 1.00 72.53 H new ATOM 557 N LEU A 37 -0.536 -17.523 1.726 1.00 71.51 N ATOM 558 CA LEU A 37 0.090 -18.312 0.671 1.00 64.43 C ATOM 559 C LEU A 37 1.360 -17.634 0.165 1.00 74.44 C ATOM 560 O LEU A 37 1.499 -17.367 -1.029 1.00 64.11 O ATOM 561 CB LEU A 37 -0.887 -18.519 -0.487 1.00 74.43 C ATOM 562 CG LEU A 37 -1.842 -19.707 -0.356 1.00 10.45 C ATOM 563 CD1 LEU A 37 -1.063 -21.008 -0.243 1.00 72.04 C ATOM 564 CD2 LEU A 37 -2.756 -19.525 0.847 1.00 14.13 C ATOM 0 H LEU A 37 -0.797 -18.058 2.554 1.00 71.51 H new ATOM 0 HA LEU A 37 0.359 -19.282 1.088 1.00 64.43 H new ATOM 0 HB2 LEU A 37 -1.481 -17.612 -0.601 1.00 74.43 H new ATOM 0 HB3 LEU A 37 -0.311 -18.641 -1.404 1.00 74.43 H new ATOM 0 HG LEU A 37 -2.459 -19.754 -1.253 1.00 10.45 H new ATOM 0 HD11 LEU A 37 -1.759 -21.842 -0.151 1.00 72.04 H new ATOM 0 HD12 LEU A 37 -0.450 -21.144 -1.134 1.00 72.04 H new ATOM 0 HD13 LEU A 37 -0.421 -20.972 0.637 1.00 72.04 H new ATOM 0 HD21 LEU A 37 -3.429 -20.379 0.925 1.00 14.13 H new ATOM 0 HD22 LEU A 37 -2.155 -19.453 1.753 1.00 14.13 H new ATOM 0 HD23 LEU A 37 -3.340 -18.613 0.725 1.00 14.13 H new ATOM 576 N PHE A 38 2.283 -17.361 1.080 1.00 43.32 N ATOM 577 CA PHE A 38 3.542 -16.715 0.726 1.00 22.23 C ATOM 578 C PHE A 38 4.400 -17.634 -0.139 1.00 50.43 C ATOM 579 O PHE A 38 4.627 -18.794 0.204 1.00 74.04 O ATOM 580 CB PHE A 38 4.311 -16.322 1.990 1.00 73.04 C ATOM 581 CG PHE A 38 5.021 -15.004 1.873 1.00 11.33 C ATOM 582 CD1 PHE A 38 4.305 -13.820 1.797 1.00 34.13 C ATOM 583 CD2 PHE A 38 6.405 -14.948 1.839 1.00 20.14 C ATOM 584 CE1 PHE A 38 4.955 -12.605 1.691 1.00 61.24 C ATOM 585 CE2 PHE A 38 7.061 -13.736 1.733 1.00 31.32 C ATOM 586 CZ PHE A 38 6.335 -12.563 1.657 1.00 21.54 C ATOM 0 H PHE A 38 2.184 -17.577 2.072 1.00 43.32 H new ATOM 0 HA PHE A 38 3.312 -15.816 0.154 1.00 22.23 H new ATOM 0 HB2 PHE A 38 3.617 -16.279 2.829 1.00 73.04 H new ATOM 0 HB3 PHE A 38 5.040 -17.099 2.219 1.00 73.04 H new ATOM 0 HD1 PHE A 38 3.226 -13.847 1.821 1.00 34.13 H new ATOM 0 HD2 PHE A 38 6.978 -15.862 1.896 1.00 20.14 H new ATOM 0 HE1 PHE A 38 4.385 -11.690 1.635 1.00 61.24 H new ATOM 0 HE2 PHE A 38 8.140 -13.706 1.710 1.00 31.32 H new ATOM 0 HZ PHE A 38 6.846 -11.615 1.571 1.00 21.54 H new ATOM 596 N ARG A 39 4.874 -17.105 -1.263 1.00 74.31 N ATOM 597 CA ARG A 39 5.705 -17.877 -2.179 1.00 74.01 C ATOM 598 C ARG A 39 6.824 -17.015 -2.755 1.00 51.34 C ATOM 599 O ARG A 39 6.667 -15.805 -2.922 1.00 30.12 O ATOM 600 CB ARG A 39 4.853 -18.451 -3.313 1.00 63.21 C ATOM 601 CG ARG A 39 5.042 -19.945 -3.520 1.00 64.12 C ATOM 602 CD ARG A 39 6.085 -20.232 -4.589 1.00 41.34 C ATOM 603 NE ARG A 39 5.890 -21.541 -5.207 1.00 41.41 N ATOM 604 CZ ARG A 39 6.735 -22.073 -6.082 1.00 65.53 C ATOM 605 NH1 ARG A 39 7.828 -21.413 -6.440 1.00 51.05 N ATOM 606 NH2 ARG A 39 6.489 -23.270 -6.601 1.00 1.22 N ATOM 0 H ARG A 39 4.697 -16.146 -1.561 1.00 74.31 H new ATOM 0 HA ARG A 39 6.154 -18.698 -1.619 1.00 74.01 H new ATOM 0 HB2 ARG A 39 3.802 -18.252 -3.103 1.00 63.21 H new ATOM 0 HB3 ARG A 39 5.097 -17.931 -4.239 1.00 63.21 H new ATOM 0 HG2 ARG A 39 5.345 -20.408 -2.581 1.00 64.12 H new ATOM 0 HG3 ARG A 39 4.092 -20.397 -3.806 1.00 64.12 H new ATOM 0 HD2 ARG A 39 6.040 -19.459 -5.356 1.00 41.34 H new ATOM 0 HD3 ARG A 39 7.080 -20.185 -4.147 1.00 41.34 H new ATOM 0 HE ARG A 39 5.059 -22.076 -4.952 1.00 41.41 H new ATOM 0 HH11 ARG A 39 8.022 -20.494 -6.043 1.00 51.05 H new ATOM 0 HH12 ARG A 39 8.475 -21.825 -7.112 1.00 51.05 H new ATOM 0 HH21 ARG A 39 5.650 -23.782 -6.328 1.00 1.22 H new ATOM 0 HH22 ARG A 39 7.139 -23.678 -7.273 1.00 1.22 H new ATOM 620 N VAL A 40 7.954 -17.646 -3.058 1.00 1.31 N ATOM 621 CA VAL A 40 9.100 -16.937 -3.616 1.00 14.12 C ATOM 622 C VAL A 40 9.570 -17.587 -4.912 1.00 22.31 C ATOM 623 O VAL A 40 9.597 -18.812 -5.029 1.00 44.05 O ATOM 624 CB VAL A 40 10.273 -16.895 -2.620 1.00 25.25 C ATOM 625 CG1 VAL A 40 11.471 -16.188 -3.235 1.00 2.54 C ATOM 626 CG2 VAL A 40 9.850 -16.217 -1.326 1.00 13.24 C ATOM 0 H VAL A 40 8.101 -18.647 -2.927 1.00 1.31 H new ATOM 0 HA VAL A 40 8.772 -15.918 -3.822 1.00 14.12 H new ATOM 0 HB VAL A 40 10.566 -17.919 -2.388 1.00 25.25 H new ATOM 0 HG11 VAL A 40 12.290 -16.168 -2.516 1.00 2.54 H new ATOM 0 HG12 VAL A 40 11.788 -16.721 -4.131 1.00 2.54 H new ATOM 0 HG13 VAL A 40 11.195 -15.167 -3.499 1.00 2.54 H new ATOM 0 HG21 VAL A 40 10.692 -16.196 -0.634 1.00 13.24 H new ATOM 0 HG22 VAL A 40 9.529 -15.197 -1.538 1.00 13.24 H new ATOM 0 HG23 VAL A 40 9.025 -16.771 -0.878 1.00 13.24 H new ATOM 636 N ALA A 41 9.941 -16.759 -5.883 1.00 14.23 N ATOM 637 CA ALA A 41 10.413 -17.253 -7.170 1.00 71.11 C ATOM 638 C ALA A 41 11.325 -16.236 -7.847 1.00 64.24 C ATOM 639 O ALA A 41 11.553 -15.146 -7.323 1.00 25.34 O ATOM 640 CB ALA A 41 9.234 -17.589 -8.071 1.00 31.50 C ATOM 0 H ALA A 41 9.924 -15.742 -5.802 1.00 14.23 H new ATOM 0 HA ALA A 41 10.991 -18.160 -6.993 1.00 71.11 H new ATOM 0 HB1 ALA A 41 9.601 -17.957 -9.029 1.00 31.50 H new ATOM 0 HB2 ALA A 41 8.622 -18.357 -7.598 1.00 31.50 H new ATOM 0 HB3 ALA A 41 8.633 -16.694 -8.232 1.00 31.50 H new ATOM 646 N SER A 42 11.845 -16.600 -9.015 1.00 64.12 N ATOM 647 CA SER A 42 12.737 -15.721 -9.762 1.00 41.32 C ATOM 648 C SER A 42 12.864 -16.180 -11.212 1.00 14.53 C ATOM 649 O SER A 42 12.617 -17.343 -11.531 1.00 53.44 O ATOM 650 CB SER A 42 14.118 -15.682 -9.105 1.00 61.41 C ATOM 651 OG SER A 42 15.147 -15.678 -10.080 1.00 13.02 O ATOM 0 H SER A 42 11.664 -17.498 -9.464 1.00 64.12 H new ATOM 0 HA SER A 42 12.310 -14.718 -9.752 1.00 41.32 H new ATOM 0 HB2 SER A 42 14.202 -14.793 -8.480 1.00 61.41 H new ATOM 0 HB3 SER A 42 14.237 -16.545 -8.450 1.00 61.41 H new ATOM 0 HG SER A 42 15.685 -14.864 -9.984 1.00 13.02 H new ATOM 657 N LYS A 43 13.250 -15.257 -12.086 1.00 43.31 N ATOM 658 CA LYS A 43 13.412 -15.564 -13.502 1.00 52.22 C ATOM 659 C LYS A 43 14.772 -16.201 -13.769 1.00 52.22 C ATOM 660 O LYS A 43 14.973 -16.849 -14.796 1.00 61.51 O ATOM 661 CB LYS A 43 13.258 -14.293 -14.341 1.00 62.34 C ATOM 662 CG LYS A 43 11.834 -14.036 -14.801 1.00 35.31 C ATOM 663 CD LYS A 43 11.685 -12.651 -15.408 1.00 74.41 C ATOM 664 CE LYS A 43 12.024 -12.653 -16.891 1.00 34.51 C ATOM 665 NZ LYS A 43 10.849 -12.284 -17.729 1.00 23.02 N ATOM 0 H LYS A 43 13.457 -14.289 -11.838 1.00 43.31 H new ATOM 0 HA LYS A 43 12.636 -16.275 -13.785 1.00 52.22 H new ATOM 0 HB2 LYS A 43 13.602 -13.439 -13.758 1.00 62.34 H new ATOM 0 HB3 LYS A 43 13.906 -14.364 -15.215 1.00 62.34 H new ATOM 0 HG2 LYS A 43 11.546 -14.789 -15.535 1.00 35.31 H new ATOM 0 HG3 LYS A 43 11.154 -14.139 -13.956 1.00 35.31 H new ATOM 0 HD2 LYS A 43 10.663 -12.299 -15.268 1.00 74.41 H new ATOM 0 HD3 LYS A 43 12.337 -11.951 -14.885 1.00 74.41 H new ATOM 0 HE2 LYS A 43 12.838 -11.953 -17.078 1.00 34.51 H new ATOM 0 HE3 LYS A 43 12.381 -13.641 -17.181 1.00 34.51 H new ATOM 0 HZ1 LYS A 43 11.121 -12.297 -18.733 1.00 23.02 H new ATOM 0 HZ2 LYS A 43 10.081 -12.967 -17.570 1.00 23.02 H new ATOM 0 HZ3 LYS A 43 10.524 -11.331 -17.471 1.00 23.02 H new ATOM 679 N ASP A 44 15.701 -16.013 -12.839 1.00 11.34 N ATOM 680 CA ASP A 44 17.041 -16.571 -12.972 1.00 62.45 C ATOM 681 C ASP A 44 17.015 -18.089 -12.817 1.00 44.24 C ATOM 682 O ASP A 44 17.076 -18.824 -13.803 1.00 30.43 O ATOM 683 CB ASP A 44 17.980 -15.956 -11.933 1.00 54.02 C ATOM 684 CG ASP A 44 18.742 -14.763 -12.476 1.00 32.12 C ATOM 685 OD1 ASP A 44 18.178 -13.649 -12.475 1.00 3.03 O ATOM 686 OD2 ASP A 44 19.902 -14.944 -12.903 1.00 12.15 O ATOM 0 H ASP A 44 15.550 -15.478 -11.984 1.00 11.34 H new ATOM 0 HA ASP A 44 17.410 -16.331 -13.969 1.00 62.45 H new ATOM 0 HB2 ASP A 44 17.402 -15.648 -11.062 1.00 54.02 H new ATOM 0 HB3 ASP A 44 18.688 -16.712 -11.595 1.00 54.02 H new ATOM 691 N ARG A 45 16.926 -18.550 -11.574 1.00 64.02 N ATOM 692 CA ARG A 45 16.895 -19.980 -11.290 1.00 41.40 C ATOM 693 C ARG A 45 15.612 -20.360 -10.558 1.00 33.52 C ATOM 694 O ARG A 45 15.228 -21.529 -10.523 1.00 3.13 O ATOM 695 CB ARG A 45 18.111 -20.382 -10.453 1.00 51.41 C ATOM 696 CG ARG A 45 19.314 -20.794 -11.285 1.00 72.44 C ATOM 697 CD ARG A 45 19.467 -22.307 -11.332 1.00 11.45 C ATOM 698 NE ARG A 45 18.306 -22.956 -11.934 1.00 32.22 N ATOM 699 CZ ARG A 45 18.055 -24.257 -11.830 1.00 43.44 C ATOM 700 NH1 ARG A 45 18.880 -25.042 -11.151 1.00 51.04 N ATOM 701 NH2 ARG A 45 16.978 -24.774 -12.407 1.00 13.24 N ATOM 0 H ARG A 45 16.874 -17.954 -10.748 1.00 64.02 H new ATOM 0 HA ARG A 45 16.924 -20.515 -12.239 1.00 41.40 H new ATOM 0 HB2 ARG A 45 18.392 -19.547 -9.812 1.00 51.41 H new ATOM 0 HB3 ARG A 45 17.833 -21.207 -9.798 1.00 51.41 H new ATOM 0 HG2 ARG A 45 19.207 -20.406 -12.298 1.00 72.44 H new ATOM 0 HG3 ARG A 45 20.217 -20.349 -10.867 1.00 72.44 H new ATOM 0 HD2 ARG A 45 20.361 -22.563 -11.901 1.00 11.45 H new ATOM 0 HD3 ARG A 45 19.612 -22.688 -10.321 1.00 11.45 H new ATOM 0 HE ARG A 45 17.652 -22.380 -12.463 1.00 32.22 H new ATOM 0 HH11 ARG A 45 19.709 -24.648 -10.707 1.00 51.04 H new ATOM 0 HH12 ARG A 45 18.685 -26.040 -11.073 1.00 51.04 H new ATOM 0 HH21 ARG A 45 16.342 -24.173 -12.931 1.00 13.24 H new ATOM 0 HH22 ARG A 45 16.786 -25.773 -12.327 1.00 13.24 H new ATOM 715 N GLY A 46 14.952 -19.365 -9.973 1.00 51.14 N ATOM 716 CA GLY A 46 13.720 -19.616 -9.249 1.00 55.14 C ATOM 717 C GLY A 46 13.963 -19.968 -7.795 1.00 72.13 C ATOM 718 O GLY A 46 13.036 -19.962 -6.985 1.00 3.24 O ATOM 0 H GLY A 46 15.249 -18.389 -9.988 1.00 51.14 H new ATOM 0 HA2 GLY A 46 13.083 -18.733 -9.304 1.00 55.14 H new ATOM 0 HA3 GLY A 46 13.178 -20.430 -9.731 1.00 55.14 H new ATOM 722 N ASP A 47 15.211 -20.278 -7.464 1.00 45.33 N ATOM 723 CA ASP A 47 15.574 -20.635 -6.098 1.00 20.13 C ATOM 724 C ASP A 47 16.869 -19.945 -5.681 1.00 23.30 C ATOM 725 O ASP A 47 17.895 -20.597 -5.481 1.00 4.54 O ATOM 726 CB ASP A 47 15.724 -22.152 -5.967 1.00 45.43 C ATOM 727 CG ASP A 47 14.392 -22.852 -5.790 1.00 71.52 C ATOM 728 OD1 ASP A 47 13.694 -22.557 -4.798 1.00 53.32 O ATOM 729 OD2 ASP A 47 14.048 -23.697 -6.643 1.00 75.42 O ATOM 0 H ASP A 47 15.989 -20.289 -8.123 1.00 45.33 H new ATOM 0 HA ASP A 47 14.776 -20.298 -5.437 1.00 20.13 H new ATOM 0 HB2 ASP A 47 16.221 -22.543 -6.855 1.00 45.43 H new ATOM 0 HB3 ASP A 47 16.366 -22.379 -5.116 1.00 45.43 H new ATOM 734 N LEU A 48 16.815 -18.624 -5.553 1.00 62.13 N ATOM 735 CA LEU A 48 17.985 -17.845 -5.161 1.00 55.25 C ATOM 736 C LEU A 48 17.967 -17.551 -3.665 1.00 34.22 C ATOM 737 O LEU A 48 18.985 -17.679 -2.984 1.00 1.11 O ATOM 738 CB LEU A 48 18.036 -16.535 -5.949 1.00 41.42 C ATOM 739 CG LEU A 48 18.238 -16.667 -7.459 1.00 42.21 C ATOM 740 CD1 LEU A 48 16.928 -17.026 -8.143 1.00 65.35 C ATOM 741 CD2 LEU A 48 18.807 -15.379 -8.036 1.00 3.32 C ATOM 0 H LEU A 48 15.974 -18.070 -5.715 1.00 62.13 H new ATOM 0 HA LEU A 48 18.875 -18.433 -5.386 1.00 55.25 H new ATOM 0 HB2 LEU A 48 17.107 -15.992 -5.773 1.00 41.42 H new ATOM 0 HB3 LEU A 48 18.844 -15.924 -5.547 1.00 41.42 H new ATOM 0 HG LEU A 48 18.952 -17.470 -7.642 1.00 42.21 H new ATOM 0 HD11 LEU A 48 17.091 -17.116 -9.217 1.00 65.35 H new ATOM 0 HD12 LEU A 48 16.561 -17.975 -7.751 1.00 65.35 H new ATOM 0 HD13 LEU A 48 16.192 -16.245 -7.952 1.00 65.35 H new ATOM 0 HD21 LEU A 48 18.944 -15.491 -9.111 1.00 3.32 H new ATOM 0 HD22 LEU A 48 18.117 -14.558 -7.842 1.00 3.32 H new ATOM 0 HD23 LEU A 48 19.768 -15.164 -7.568 1.00 3.32 H new ATOM 753 N LEU A 49 16.803 -17.159 -3.158 1.00 71.41 N ATOM 754 CA LEU A 49 16.651 -16.850 -1.741 1.00 0.34 C ATOM 755 C LEU A 49 15.226 -17.126 -1.273 1.00 12.15 C ATOM 756 O LEU A 49 14.274 -16.997 -2.042 1.00 2.22 O ATOM 757 CB LEU A 49 17.012 -15.387 -1.476 1.00 43.14 C ATOM 758 CG LEU A 49 18.494 -15.029 -1.598 1.00 52.14 C ATOM 759 CD1 LEU A 49 18.793 -14.457 -2.975 1.00 62.25 C ATOM 760 CD2 LEU A 49 18.896 -14.043 -0.511 1.00 34.21 C ATOM 0 H LEU A 49 15.951 -17.048 -3.707 1.00 71.41 H new ATOM 0 HA LEU A 49 17.329 -17.493 -1.180 1.00 0.34 H new ATOM 0 HB2 LEU A 49 16.450 -14.763 -2.171 1.00 43.14 H new ATOM 0 HB3 LEU A 49 16.677 -15.127 -0.472 1.00 43.14 H new ATOM 0 HG LEU A 49 19.080 -15.939 -1.470 1.00 52.14 H new ATOM 0 HD11 LEU A 49 19.852 -14.208 -3.043 1.00 62.25 H new ATOM 0 HD12 LEU A 49 18.544 -15.195 -3.738 1.00 62.25 H new ATOM 0 HD13 LEU A 49 18.198 -13.557 -3.132 1.00 62.25 H new ATOM 0 HD21 LEU A 49 19.954 -13.800 -0.613 1.00 34.21 H new ATOM 0 HD22 LEU A 49 18.303 -13.133 -0.608 1.00 34.21 H new ATOM 0 HD23 LEU A 49 18.719 -14.489 0.468 1.00 34.21 H new ATOM 772 N GLU A 50 15.087 -17.505 -0.006 1.00 3.43 N ATOM 773 CA GLU A 50 13.777 -17.797 0.564 1.00 25.25 C ATOM 774 C GLU A 50 13.544 -16.985 1.835 1.00 34.22 C ATOM 775 O GLU A 50 14.489 -16.520 2.471 1.00 45.31 O ATOM 776 CB GLU A 50 13.652 -19.291 0.870 1.00 21.25 C ATOM 777 CG GLU A 50 12.860 -20.062 -0.172 1.00 53.43 C ATOM 778 CD GLU A 50 12.997 -21.564 -0.017 1.00 45.32 C ATOM 779 OE1 GLU A 50 13.979 -22.007 0.615 1.00 2.42 O ATOM 780 OE2 GLU A 50 12.125 -22.296 -0.528 1.00 73.01 O ATOM 0 H GLU A 50 15.865 -17.617 0.644 1.00 3.43 H new ATOM 0 HA GLU A 50 13.019 -17.519 -0.168 1.00 25.25 H new ATOM 0 HB2 GLU A 50 14.650 -19.722 0.947 1.00 21.25 H new ATOM 0 HB3 GLU A 50 13.175 -19.415 1.842 1.00 21.25 H new ATOM 0 HG2 GLU A 50 11.808 -19.788 -0.099 1.00 53.43 H new ATOM 0 HG3 GLU A 50 13.197 -19.771 -1.167 1.00 53.43 H new ATOM 787 N VAL A 51 12.276 -16.819 2.199 1.00 11.11 N ATOM 788 CA VAL A 51 11.916 -16.064 3.394 1.00 63.04 C ATOM 789 C VAL A 51 11.575 -16.996 4.551 1.00 74.14 C ATOM 790 O VAL A 51 10.918 -18.019 4.363 1.00 34.15 O ATOM 791 CB VAL A 51 10.719 -15.132 3.129 1.00 0.20 C ATOM 792 CG1 VAL A 51 9.596 -15.889 2.437 1.00 14.50 C ATOM 793 CG2 VAL A 51 10.232 -14.509 4.429 1.00 50.14 C ATOM 0 H VAL A 51 11.481 -17.197 1.684 1.00 11.11 H new ATOM 0 HA VAL A 51 12.784 -15.461 3.661 1.00 63.04 H new ATOM 0 HB VAL A 51 11.045 -14.329 2.467 1.00 0.20 H new ATOM 0 HG11 VAL A 51 8.759 -15.214 2.258 1.00 14.50 H new ATOM 0 HG12 VAL A 51 9.955 -16.283 1.486 1.00 14.50 H new ATOM 0 HG13 VAL A 51 9.269 -16.713 3.071 1.00 14.50 H new ATOM 0 HG21 VAL A 51 9.386 -13.853 4.224 1.00 50.14 H new ATOM 0 HG22 VAL A 51 9.922 -15.296 5.116 1.00 50.14 H new ATOM 0 HG23 VAL A 51 11.038 -13.930 4.880 1.00 50.14 H new ATOM 803 N ASN A 52 12.025 -16.634 5.748 1.00 63.45 N ATOM 804 CA ASN A 52 11.767 -17.439 6.936 1.00 1.44 C ATOM 805 C ASN A 52 10.732 -16.767 7.833 1.00 14.12 C ATOM 806 O ASN A 52 10.967 -15.682 8.368 1.00 61.51 O ATOM 807 CB ASN A 52 13.064 -17.664 7.716 1.00 31.33 C ATOM 808 CG ASN A 52 12.855 -18.521 8.950 1.00 30.10 C ATOM 809 OD1 ASN A 52 11.760 -19.031 9.187 1.00 12.11 O ATOM 810 ND2 ASN A 52 13.908 -18.683 9.743 1.00 72.11 N ATOM 0 H ASN A 52 12.570 -15.789 5.921 1.00 63.45 H new ATOM 0 HA ASN A 52 11.373 -18.403 6.614 1.00 1.44 H new ATOM 0 HB2 ASN A 52 13.798 -18.141 7.066 1.00 31.33 H new ATOM 0 HB3 ASN A 52 13.479 -16.700 8.012 1.00 31.33 H new ATOM 0 HD21 ASN A 52 13.828 -19.249 10.588 1.00 72.11 H new ATOM 0 HD22 ASN A 52 14.797 -18.241 9.507 1.00 72.11 H new ATOM 817 N LEU A 53 9.585 -17.418 7.994 1.00 20.20 N ATOM 818 CA LEU A 53 8.513 -16.885 8.827 1.00 74.00 C ATOM 819 C LEU A 53 8.970 -16.735 10.274 1.00 25.02 C ATOM 820 O LEU A 53 8.328 -16.051 11.070 1.00 11.11 O ATOM 821 CB LEU A 53 7.287 -17.797 8.760 1.00 74.31 C ATOM 822 CG LEU A 53 6.914 -18.320 7.372 1.00 12.21 C ATOM 823 CD1 LEU A 53 7.280 -19.790 7.239 1.00 44.31 C ATOM 824 CD2 LEU A 53 5.430 -18.112 7.105 1.00 43.13 C ATOM 0 H LEU A 53 9.374 -18.316 7.559 1.00 20.20 H new ATOM 0 HA LEU A 53 8.247 -15.899 8.446 1.00 74.00 H new ATOM 0 HB2 LEU A 53 7.459 -18.652 9.414 1.00 74.31 H new ATOM 0 HB3 LEU A 53 6.432 -17.254 9.163 1.00 74.31 H new ATOM 0 HG LEU A 53 7.479 -17.757 6.629 1.00 12.21 H new ATOM 0 HD11 LEU A 53 7.007 -20.144 6.245 1.00 44.31 H new ATOM 0 HD12 LEU A 53 8.353 -19.913 7.386 1.00 44.31 H new ATOM 0 HD13 LEU A 53 6.742 -20.368 7.991 1.00 44.31 H new ATOM 0 HD21 LEU A 53 5.182 -18.490 6.113 1.00 43.13 H new ATOM 0 HD22 LEU A 53 4.847 -18.648 7.854 1.00 43.13 H new ATOM 0 HD23 LEU A 53 5.197 -17.049 7.157 1.00 43.13 H new ATOM 836 N GLN A 54 10.086 -17.377 10.606 1.00 34.53 N ATOM 837 CA GLN A 54 10.630 -17.314 11.957 1.00 11.35 C ATOM 838 C GLN A 54 10.760 -15.868 12.424 1.00 3.41 C ATOM 839 O GLN A 54 10.341 -15.521 13.527 1.00 33.14 O ATOM 840 CB GLN A 54 11.993 -18.005 12.014 1.00 21.21 C ATOM 841 CG GLN A 54 12.477 -18.282 13.428 1.00 34.14 C ATOM 842 CD GLN A 54 13.785 -19.047 13.459 1.00 61.04 C ATOM 843 OE1 GLN A 54 13.973 -20.009 12.713 1.00 54.10 O ATOM 844 NE2 GLN A 54 14.699 -18.623 14.323 1.00 4.31 N ATOM 0 H GLN A 54 10.630 -17.946 9.958 1.00 34.53 H new ATOM 0 HA GLN A 54 9.940 -17.832 12.624 1.00 11.35 H new ATOM 0 HB2 GLN A 54 11.937 -18.946 11.467 1.00 21.21 H new ATOM 0 HB3 GLN A 54 12.728 -17.383 11.503 1.00 21.21 H new ATOM 0 HG2 GLN A 54 12.601 -17.337 13.957 1.00 34.14 H new ATOM 0 HG3 GLN A 54 11.716 -18.850 13.964 1.00 34.14 H new ATOM 0 HE21 GLN A 54 14.501 -17.822 14.922 1.00 4.31 H new ATOM 0 HE22 GLN A 54 15.599 -19.098 14.388 1.00 4.31 H new ATOM 853 N ASN A 55 11.345 -15.028 11.576 1.00 3.21 N ATOM 854 CA ASN A 55 11.532 -13.619 11.902 1.00 11.34 C ATOM 855 C ASN A 55 11.349 -12.745 10.665 1.00 15.12 C ATOM 856 O ASN A 55 11.816 -11.608 10.621 1.00 51.24 O ATOM 857 CB ASN A 55 12.922 -13.392 12.499 1.00 3.33 C ATOM 858 CG ASN A 55 12.917 -13.449 14.015 1.00 64.23 C ATOM 859 OD1 ASN A 55 11.890 -13.729 14.633 1.00 3.10 O ATOM 860 ND2 ASN A 55 14.069 -13.183 14.620 1.00 31.44 N ATOM 0 H ASN A 55 11.698 -15.299 10.658 1.00 3.21 H new ATOM 0 HA ASN A 55 10.778 -13.339 12.638 1.00 11.34 H new ATOM 0 HB2 ASN A 55 13.608 -14.146 12.112 1.00 3.33 H new ATOM 0 HB3 ASN A 55 13.299 -12.422 12.176 1.00 3.33 H new ATOM 0 HD21 ASN A 55 14.128 -13.206 15.638 1.00 31.44 H new ATOM 0 HD22 ASN A 55 14.895 -12.956 14.067 1.00 31.44 H new ATOM 867 N GLY A 56 10.664 -13.285 9.662 1.00 74.32 N ATOM 868 CA GLY A 56 10.430 -12.542 8.438 1.00 51.52 C ATOM 869 C GLY A 56 11.717 -12.069 7.792 1.00 42.12 C ATOM 870 O GLY A 56 11.758 -10.999 7.184 1.00 12.42 O ATOM 0 H GLY A 56 10.267 -14.224 9.675 1.00 74.32 H new ATOM 0 HA2 GLY A 56 9.883 -13.170 7.734 1.00 51.52 H new ATOM 0 HA3 GLY A 56 9.798 -11.681 8.655 1.00 51.52 H new ATOM 874 N ILE A 57 12.771 -12.867 7.924 1.00 4.22 N ATOM 875 CA ILE A 57 14.066 -12.523 7.349 1.00 72.20 C ATOM 876 C ILE A 57 14.397 -13.423 6.163 1.00 32.13 C ATOM 877 O ILE A 57 13.908 -14.550 6.070 1.00 64.13 O ATOM 878 CB ILE A 57 15.193 -12.633 8.393 1.00 72.21 C ATOM 879 CG1 ILE A 57 14.891 -11.739 9.597 1.00 21.13 C ATOM 880 CG2 ILE A 57 16.530 -12.259 7.770 1.00 33.24 C ATOM 881 CD1 ILE A 57 14.677 -10.287 9.233 1.00 11.30 C ATOM 0 H ILE A 57 12.754 -13.756 8.424 1.00 4.22 H new ATOM 0 HA ILE A 57 13.996 -11.489 7.010 1.00 72.20 H new ATOM 0 HB ILE A 57 15.251 -13.666 8.737 1.00 72.21 H new ATOM 0 HG12 ILE A 57 14.001 -12.113 10.103 1.00 21.13 H new ATOM 0 HG13 ILE A 57 15.715 -11.809 10.307 1.00 21.13 H new ATOM 0 HG21 ILE A 57 17.317 -12.342 8.520 1.00 33.24 H new ATOM 0 HG22 ILE A 57 16.747 -12.933 6.941 1.00 33.24 H new ATOM 0 HG23 ILE A 57 16.486 -11.234 7.402 1.00 33.24 H new ATOM 0 HD11 ILE A 57 14.468 -9.713 10.135 1.00 11.30 H new ATOM 0 HD12 ILE A 57 15.575 -9.896 8.754 1.00 11.30 H new ATOM 0 HD13 ILE A 57 13.834 -10.204 8.547 1.00 11.30 H new ATOM 893 N LEU A 58 15.231 -12.919 5.260 1.00 33.52 N ATOM 894 CA LEU A 58 15.630 -13.678 4.080 1.00 73.51 C ATOM 895 C LEU A 58 16.922 -14.446 4.338 1.00 62.34 C ATOM 896 O LEU A 58 17.852 -13.928 4.956 1.00 11.23 O ATOM 897 CB LEU A 58 15.809 -12.742 2.884 1.00 61.02 C ATOM 898 CG LEU A 58 14.530 -12.342 2.147 1.00 4.41 C ATOM 899 CD1 LEU A 58 14.803 -12.165 0.662 1.00 44.55 C ATOM 900 CD2 LEU A 58 13.439 -13.378 2.371 1.00 61.21 C ATOM 0 H LEU A 58 15.644 -11.988 5.322 1.00 33.52 H new ATOM 0 HA LEU A 58 14.841 -14.396 3.856 1.00 73.51 H new ATOM 0 HB2 LEU A 58 16.304 -11.835 3.229 1.00 61.02 H new ATOM 0 HB3 LEU A 58 16.481 -13.220 2.171 1.00 61.02 H new ATOM 0 HG LEU A 58 14.185 -11.389 2.548 1.00 4.41 H new ATOM 0 HD11 LEU A 58 13.882 -11.881 0.154 1.00 44.55 H new ATOM 0 HD12 LEU A 58 15.551 -11.385 0.520 1.00 44.55 H new ATOM 0 HD13 LEU A 58 15.172 -13.102 0.246 1.00 44.55 H new ATOM 0 HD21 LEU A 58 12.536 -13.077 1.839 1.00 61.21 H new ATOM 0 HD22 LEU A 58 13.774 -14.346 1.998 1.00 61.21 H new ATOM 0 HD23 LEU A 58 13.224 -13.455 3.437 1.00 61.21 H new ATOM 912 N PHE A 59 16.975 -15.684 3.857 1.00 32.22 N ATOM 913 CA PHE A 59 18.154 -16.524 4.034 1.00 1.52 C ATOM 914 C PHE A 59 18.641 -17.067 2.694 1.00 33.42 C ATOM 915 O PHE A 59 17.845 -17.508 1.864 1.00 22.14 O ATOM 916 CB PHE A 59 17.844 -17.681 4.985 1.00 31.51 C ATOM 917 CG PHE A 59 16.986 -18.750 4.369 1.00 4.31 C ATOM 918 CD1 PHE A 59 15.605 -18.644 4.388 1.00 31.21 C ATOM 919 CD2 PHE A 59 17.562 -19.859 3.771 1.00 74.04 C ATOM 920 CE1 PHE A 59 14.814 -19.626 3.823 1.00 74.23 C ATOM 921 CE2 PHE A 59 16.775 -20.844 3.203 1.00 23.12 C ATOM 922 CZ PHE A 59 15.400 -20.727 3.228 1.00 15.24 C ATOM 0 H PHE A 59 16.215 -16.128 3.341 1.00 32.22 H new ATOM 0 HA PHE A 59 18.945 -15.911 4.466 1.00 1.52 H new ATOM 0 HB2 PHE A 59 18.781 -18.126 5.320 1.00 31.51 H new ATOM 0 HB3 PHE A 59 17.343 -17.289 5.870 1.00 31.51 H new ATOM 0 HD1 PHE A 59 15.142 -17.785 4.849 1.00 31.21 H new ATOM 0 HD2 PHE A 59 18.637 -19.955 3.748 1.00 74.04 H new ATOM 0 HE1 PHE A 59 13.738 -19.533 3.846 1.00 74.23 H new ATOM 0 HE2 PHE A 59 17.236 -21.704 2.740 1.00 23.12 H new ATOM 0 HZ PHE A 59 14.783 -21.494 2.784 1.00 15.24 H new ATOM 932 N VAL A 60 19.954 -17.032 2.490 1.00 73.43 N ATOM 933 CA VAL A 60 20.548 -17.522 1.251 1.00 11.25 C ATOM 934 C VAL A 60 20.036 -18.917 0.910 1.00 0.41 C ATOM 935 O VAL A 60 19.821 -19.744 1.795 1.00 45.20 O ATOM 936 CB VAL A 60 22.085 -17.559 1.343 1.00 70.10 C ATOM 937 CG1 VAL A 60 22.680 -18.178 0.087 1.00 31.24 C ATOM 938 CG2 VAL A 60 22.639 -16.161 1.572 1.00 52.11 C ATOM 0 H VAL A 60 20.626 -16.670 3.166 1.00 73.43 H new ATOM 0 HA VAL A 60 20.255 -16.828 0.463 1.00 11.25 H new ATOM 0 HB VAL A 60 22.366 -18.180 2.194 1.00 70.10 H new ATOM 0 HG11 VAL A 60 23.767 -18.196 0.170 1.00 31.24 H new ATOM 0 HG12 VAL A 60 22.308 -19.196 -0.028 1.00 31.24 H new ATOM 0 HG13 VAL A 60 22.392 -17.586 -0.782 1.00 31.24 H new ATOM 0 HG21 VAL A 60 23.726 -16.206 1.634 1.00 52.11 H new ATOM 0 HG22 VAL A 60 22.350 -15.515 0.743 1.00 52.11 H new ATOM 0 HG23 VAL A 60 22.239 -15.759 2.503 1.00 52.11 H new ATOM 948 N ASN A 61 19.843 -19.171 -0.380 1.00 53.31 N ATOM 949 CA ASN A 61 19.356 -20.466 -0.839 1.00 73.44 C ATOM 950 C ASN A 61 19.959 -20.825 -2.194 1.00 54.03 C ATOM 951 O ASN A 61 19.412 -21.646 -2.931 1.00 11.03 O ATOM 952 CB ASN A 61 17.829 -20.456 -0.935 1.00 33.02 C ATOM 953 CG ASN A 61 17.252 -21.846 -1.124 1.00 12.31 C ATOM 954 OD1 ASN A 61 16.561 -22.115 -2.107 1.00 11.43 O ATOM 955 ND2 ASN A 61 17.534 -22.737 -0.180 1.00 54.52 N ATOM 0 H ASN A 61 20.016 -18.497 -1.126 1.00 53.31 H new ATOM 0 HA ASN A 61 19.663 -21.219 -0.113 1.00 73.44 H new ATOM 0 HB2 ASN A 61 17.414 -20.013 -0.030 1.00 33.02 H new ATOM 0 HB3 ASN A 61 17.524 -19.823 -1.768 1.00 33.02 H new ATOM 0 HD21 ASN A 61 17.174 -23.688 -0.253 1.00 54.52 H new ATOM 0 HD22 ASN A 61 18.111 -22.470 0.618 1.00 54.52 H new ATOM 962 N SER A 62 21.089 -20.204 -2.516 1.00 30.01 N ATOM 963 CA SER A 62 21.765 -20.455 -3.783 1.00 40.03 C ATOM 964 C SER A 62 23.235 -20.054 -3.704 1.00 31.13 C ATOM 965 O SER A 62 23.745 -19.733 -2.630 1.00 54.31 O ATOM 966 CB SER A 62 21.076 -19.688 -4.914 1.00 20.13 C ATOM 967 OG SER A 62 21.140 -18.290 -4.694 1.00 41.42 O ATOM 0 H SER A 62 21.556 -19.523 -1.917 1.00 30.01 H new ATOM 0 HA SER A 62 21.708 -21.524 -3.991 1.00 40.03 H new ATOM 0 HB2 SER A 62 21.550 -19.932 -5.865 1.00 20.13 H new ATOM 0 HB3 SER A 62 20.034 -20.000 -4.988 1.00 20.13 H new ATOM 0 HG SER A 62 20.468 -18.032 -4.029 1.00 41.42 H new ATOM 973 N ARG A 63 23.910 -20.076 -4.848 1.00 5.20 N ATOM 974 CA ARG A 63 25.322 -19.716 -4.909 1.00 20.22 C ATOM 975 C ARG A 63 25.505 -18.207 -4.773 1.00 30.40 C ATOM 976 O ARG A 63 25.071 -17.440 -5.633 1.00 10.15 O ATOM 977 CB ARG A 63 25.937 -20.199 -6.224 1.00 0.13 C ATOM 978 CG ARG A 63 25.216 -19.683 -7.459 1.00 23.34 C ATOM 979 CD ARG A 63 25.151 -20.742 -8.548 1.00 71.22 C ATOM 980 NE ARG A 63 25.412 -20.183 -9.872 1.00 5.44 N ATOM 981 CZ ARG A 63 24.509 -19.511 -10.577 1.00 4.41 C ATOM 982 NH1 ARG A 63 23.293 -19.315 -10.088 1.00 33.33 N ATOM 983 NH2 ARG A 63 24.823 -19.032 -11.774 1.00 50.11 N ATOM 0 H ARG A 63 23.503 -20.339 -5.745 1.00 5.20 H new ATOM 0 HA ARG A 63 25.831 -20.203 -4.077 1.00 20.22 H new ATOM 0 HB2 ARG A 63 26.980 -19.885 -6.265 1.00 0.13 H new ATOM 0 HB3 ARG A 63 25.932 -21.289 -6.239 1.00 0.13 H new ATOM 0 HG2 ARG A 63 24.206 -19.374 -7.190 1.00 23.34 H new ATOM 0 HG3 ARG A 63 25.729 -18.800 -7.839 1.00 23.34 H new ATOM 0 HD2 ARG A 63 25.878 -21.525 -8.336 1.00 71.22 H new ATOM 0 HD3 ARG A 63 24.167 -21.210 -8.540 1.00 71.22 H new ATOM 0 HE ARG A 63 26.339 -20.316 -10.277 1.00 5.44 H new ATOM 0 HH11 ARG A 63 23.048 -19.681 -9.168 1.00 33.33 H new ATOM 0 HH12 ARG A 63 22.602 -18.798 -10.632 1.00 33.33 H new ATOM 0 HH21 ARG A 63 25.758 -19.180 -12.153 1.00 50.11 H new ATOM 0 HH22 ARG A 63 24.129 -18.516 -12.315 1.00 50.11 H new ATOM 997 N ILE A 64 26.149 -17.790 -3.688 1.00 62.14 N ATOM 998 CA ILE A 64 26.390 -16.374 -3.441 1.00 13.11 C ATOM 999 C ILE A 64 27.863 -16.026 -3.627 1.00 13.23 C ATOM 1000 O ILE A 64 28.219 -14.859 -3.792 1.00 24.14 O ATOM 1001 CB ILE A 64 25.953 -15.969 -2.021 1.00 2.53 C ATOM 1002 CG1 ILE A 64 24.492 -16.355 -1.783 1.00 21.42 C ATOM 1003 CG2 ILE A 64 26.152 -14.475 -1.812 1.00 1.24 C ATOM 1004 CD1 ILE A 64 23.534 -15.737 -2.776 1.00 53.32 C ATOM 0 H ILE A 64 26.513 -18.412 -2.966 1.00 62.14 H new ATOM 0 HA ILE A 64 25.795 -15.821 -4.167 1.00 13.11 H new ATOM 0 HB ILE A 64 26.572 -16.503 -1.300 1.00 2.53 H new ATOM 0 HG12 ILE A 64 24.399 -17.440 -1.828 1.00 21.42 H new ATOM 0 HG13 ILE A 64 24.204 -16.052 -0.776 1.00 21.42 H new ATOM 0 HG21 ILE A 64 25.839 -14.204 -0.804 1.00 1.24 H new ATOM 0 HG22 ILE A 64 27.205 -14.226 -1.944 1.00 1.24 H new ATOM 0 HG23 ILE A 64 25.555 -13.923 -2.538 1.00 1.24 H new ATOM 0 HD11 ILE A 64 22.517 -16.054 -2.546 1.00 53.32 H new ATOM 0 HD12 ILE A 64 23.598 -14.651 -2.715 1.00 53.32 H new ATOM 0 HD13 ILE A 64 23.796 -16.060 -3.784 1.00 53.32 H new ATOM 1016 N ASP A 65 28.714 -17.046 -3.601 1.00 14.45 N ATOM 1017 CA ASP A 65 30.149 -16.848 -3.769 1.00 73.42 C ATOM 1018 C ASP A 65 30.440 -16.011 -5.011 1.00 31.23 C ATOM 1019 O ASP A 65 29.848 -16.225 -6.069 1.00 32.14 O ATOM 1020 CB ASP A 65 30.862 -18.198 -3.870 1.00 0.43 C ATOM 1021 CG ASP A 65 32.225 -18.183 -3.207 1.00 3.55 C ATOM 1022 OD1 ASP A 65 32.932 -17.160 -3.327 1.00 32.12 O ATOM 1023 OD2 ASP A 65 32.586 -19.194 -2.568 1.00 0.40 O ATOM 0 H ASP A 65 28.435 -18.018 -3.465 1.00 14.45 H new ATOM 0 HA ASP A 65 30.522 -16.312 -2.896 1.00 73.42 H new ATOM 0 HB2 ASP A 65 30.244 -18.968 -3.407 1.00 0.43 H new ATOM 0 HB3 ASP A 65 30.975 -18.469 -4.920 1.00 0.43 H new ATOM 1028 N ARG A 66 31.355 -15.057 -4.873 1.00 72.04 N ATOM 1029 CA ARG A 66 31.723 -14.186 -5.983 1.00 72.12 C ATOM 1030 C ARG A 66 31.924 -14.992 -7.263 1.00 61.01 C ATOM 1031 O ARG A 66 31.576 -14.540 -8.353 1.00 54.02 O ATOM 1032 CB ARG A 66 32.999 -13.411 -5.650 1.00 31.23 C ATOM 1033 CG ARG A 66 32.740 -12.014 -5.110 1.00 53.04 C ATOM 1034 CD ARG A 66 33.881 -11.538 -4.225 1.00 51.13 C ATOM 1035 NE ARG A 66 35.186 -11.792 -4.830 1.00 54.15 N ATOM 1036 CZ ARG A 66 35.707 -11.041 -5.794 1.00 62.44 C ATOM 1037 NH1 ARG A 66 35.039 -9.995 -6.260 1.00 34.31 N ATOM 1038 NH2 ARG A 66 36.900 -11.337 -6.295 1.00 3.45 N ATOM 0 H ARG A 66 31.855 -14.868 -4.004 1.00 72.04 H new ATOM 0 HA ARG A 66 30.908 -13.480 -6.143 1.00 72.12 H new ATOM 0 HB2 ARG A 66 33.575 -13.974 -4.916 1.00 31.23 H new ATOM 0 HB3 ARG A 66 33.613 -13.336 -6.547 1.00 31.23 H new ATOM 0 HG2 ARG A 66 32.609 -11.320 -5.941 1.00 53.04 H new ATOM 0 HG3 ARG A 66 31.810 -12.009 -4.541 1.00 53.04 H new ATOM 0 HD2 ARG A 66 33.771 -10.470 -4.035 1.00 51.13 H new ATOM 0 HD3 ARG A 66 33.825 -12.041 -3.260 1.00 51.13 H new ATOM 0 HE ARG A 66 35.727 -12.589 -4.494 1.00 54.15 H new ATOM 0 HH11 ARG A 66 34.122 -9.764 -5.878 1.00 34.31 H new ATOM 0 HH12 ARG A 66 35.442 -9.421 -7.000 1.00 34.31 H new ATOM 0 HH21 ARG A 66 37.417 -12.141 -5.940 1.00 3.45 H new ATOM 0 HH22 ARG A 66 37.300 -10.760 -7.035 1.00 3.45 H new ATOM 1052 N GLU A 67 32.489 -16.187 -7.121 1.00 70.03 N ATOM 1053 CA GLU A 67 32.738 -17.054 -8.267 1.00 34.42 C ATOM 1054 C GLU A 67 31.465 -17.255 -9.084 1.00 15.20 C ATOM 1055 O GLU A 67 31.450 -17.031 -10.294 1.00 3.32 O ATOM 1056 CB GLU A 67 33.277 -18.409 -7.802 1.00 14.24 C ATOM 1057 CG GLU A 67 34.785 -18.434 -7.620 1.00 10.21 C ATOM 1058 CD GLU A 67 35.521 -18.785 -8.898 1.00 52.14 C ATOM 1059 OE1 GLU A 67 35.481 -17.973 -9.847 1.00 70.40 O ATOM 1060 OE2 GLU A 67 36.136 -19.870 -8.951 1.00 31.23 O ATOM 0 H GLU A 67 32.783 -16.576 -6.225 1.00 70.03 H new ATOM 0 HA GLU A 67 33.483 -16.572 -8.900 1.00 34.42 H new ATOM 0 HB2 GLU A 67 32.801 -18.675 -6.858 1.00 14.24 H new ATOM 0 HB3 GLU A 67 32.994 -19.171 -8.528 1.00 14.24 H new ATOM 0 HG2 GLU A 67 35.121 -17.459 -7.268 1.00 10.21 H new ATOM 0 HG3 GLU A 67 35.042 -19.158 -6.847 1.00 10.21 H new ATOM 1067 N GLU A 68 30.398 -17.679 -8.413 1.00 2.11 N ATOM 1068 CA GLU A 68 29.121 -17.911 -9.077 1.00 60.12 C ATOM 1069 C GLU A 68 28.340 -16.608 -9.226 1.00 23.43 C ATOM 1070 O GLU A 68 27.891 -16.262 -10.319 1.00 12.31 O ATOM 1071 CB GLU A 68 28.291 -18.930 -8.293 1.00 52.42 C ATOM 1072 CG GLU A 68 29.085 -20.144 -7.843 1.00 34.42 C ATOM 1073 CD GLU A 68 28.395 -21.451 -8.184 1.00 61.10 C ATOM 1074 OE1 GLU A 68 28.188 -21.717 -9.386 1.00 54.13 O ATOM 1075 OE2 GLU A 68 28.063 -22.208 -7.248 1.00 23.13 O ATOM 0 H GLU A 68 30.393 -17.869 -7.411 1.00 2.11 H new ATOM 0 HA GLU A 68 29.325 -18.308 -10.072 1.00 60.12 H new ATOM 0 HB2 GLU A 68 27.863 -18.441 -7.418 1.00 52.42 H new ATOM 0 HB3 GLU A 68 27.457 -19.261 -8.913 1.00 52.42 H new ATOM 0 HG2 GLU A 68 30.069 -20.124 -8.311 1.00 34.42 H new ATOM 0 HG3 GLU A 68 29.243 -20.091 -6.766 1.00 34.42 H new ATOM 1082 N LEU A 69 28.182 -15.891 -8.119 1.00 23.02 N ATOM 1083 CA LEU A 69 27.455 -14.626 -8.124 1.00 63.21 C ATOM 1084 C LEU A 69 27.899 -13.748 -9.290 1.00 30.03 C ATOM 1085 O LEU A 69 27.146 -13.532 -10.240 1.00 64.52 O ATOM 1086 CB LEU A 69 27.670 -13.886 -6.803 1.00 22.44 C ATOM 1087 CG LEU A 69 26.519 -12.994 -6.338 1.00 52.11 C ATOM 1088 CD1 LEU A 69 26.118 -12.024 -7.439 1.00 35.22 C ATOM 1089 CD2 LEU A 69 25.328 -13.839 -5.909 1.00 63.23 C ATOM 0 H LEU A 69 28.547 -16.164 -7.207 1.00 23.02 H new ATOM 0 HA LEU A 69 26.394 -14.846 -8.241 1.00 63.21 H new ATOM 0 HB2 LEU A 69 27.869 -14.623 -6.025 1.00 22.44 H new ATOM 0 HB3 LEU A 69 28.565 -13.271 -6.896 1.00 22.44 H new ATOM 0 HG LEU A 69 26.857 -12.416 -5.478 1.00 52.11 H new ATOM 0 HD11 LEU A 69 25.297 -11.397 -7.090 1.00 35.22 H new ATOM 0 HD12 LEU A 69 26.970 -11.396 -7.698 1.00 35.22 H new ATOM 0 HD13 LEU A 69 25.799 -12.583 -8.318 1.00 35.22 H new ATOM 0 HD21 LEU A 69 24.518 -13.187 -5.581 1.00 63.23 H new ATOM 0 HD22 LEU A 69 24.989 -14.444 -6.750 1.00 63.23 H new ATOM 0 HD23 LEU A 69 25.622 -14.493 -5.088 1.00 63.23 H new ATOM 1101 N CYS A 70 29.126 -13.245 -9.211 1.00 64.10 N ATOM 1102 CA CYS A 70 29.672 -12.392 -10.259 1.00 43.34 C ATOM 1103 C CYS A 70 31.194 -12.328 -10.171 1.00 44.14 C ATOM 1104 O CYS A 70 31.896 -12.622 -11.138 1.00 74.15 O ATOM 1105 CB CYS A 70 29.085 -10.983 -10.156 1.00 40.35 C ATOM 1106 SG CYS A 70 27.681 -10.679 -11.276 1.00 52.34 S ATOM 0 H CYS A 70 29.761 -13.414 -8.431 1.00 64.10 H new ATOM 0 HA CYS A 70 29.399 -12.823 -11.222 1.00 43.34 H new ATOM 0 HB2 CYS A 70 28.761 -10.810 -9.130 1.00 40.35 H new ATOM 0 HB3 CYS A 70 29.870 -10.257 -10.369 1.00 40.35 H new ATOM 1111 N GLY A 71 31.699 -11.941 -9.003 1.00 74.33 N ATOM 1112 CA GLY A 71 33.134 -11.846 -8.810 1.00 13.01 C ATOM 1113 C GLY A 71 33.735 -10.646 -9.514 1.00 41.10 C ATOM 1114 O GLY A 71 34.088 -9.655 -8.874 1.00 62.13 O ATOM 0 H GLY A 71 31.140 -11.692 -8.187 1.00 74.33 H new ATOM 0 HA2 GLY A 71 33.351 -11.784 -7.744 1.00 13.01 H new ATOM 0 HA3 GLY A 71 33.608 -12.755 -9.179 1.00 13.01 H new ATOM 1118 N ARG A 72 33.854 -10.735 -10.835 1.00 12.13 N ATOM 1119 CA ARG A 72 34.420 -9.649 -11.626 1.00 14.12 C ATOM 1120 C ARG A 72 33.744 -8.323 -11.290 1.00 52.45 C ATOM 1121 O ARG A 72 34.368 -7.420 -10.734 1.00 3.51 O ATOM 1122 CB ARG A 72 34.271 -9.946 -13.119 1.00 71.01 C ATOM 1123 CG ARG A 72 35.279 -10.956 -13.643 1.00 3.25 C ATOM 1124 CD ARG A 72 35.526 -10.776 -15.132 1.00 75.13 C ATOM 1125 NE ARG A 72 35.333 -12.020 -15.873 1.00 13.01 N ATOM 1126 CZ ARG A 72 35.245 -12.081 -17.197 1.00 4.00 C ATOM 1127 NH1 ARG A 72 35.334 -10.975 -17.922 1.00 53.52 N ATOM 1128 NH2 ARG A 72 35.070 -13.251 -17.798 1.00 50.34 N ATOM 0 H ARG A 72 33.566 -11.548 -11.380 1.00 12.13 H new ATOM 0 HA ARG A 72 35.479 -9.569 -11.383 1.00 14.12 H new ATOM 0 HB2 ARG A 72 33.264 -10.319 -13.308 1.00 71.01 H new ATOM 0 HB3 ARG A 72 34.377 -9.016 -13.678 1.00 71.01 H new ATOM 0 HG2 ARG A 72 36.219 -10.848 -13.102 1.00 3.25 H new ATOM 0 HG3 ARG A 72 34.916 -11.966 -13.453 1.00 3.25 H new ATOM 0 HD2 ARG A 72 34.852 -10.013 -15.522 1.00 75.13 H new ATOM 0 HD3 ARG A 72 36.542 -10.414 -15.290 1.00 75.13 H new ATOM 0 HE ARG A 72 35.262 -12.890 -15.345 1.00 13.01 H new ATOM 0 HH11 ARG A 72 35.470 -10.074 -17.463 1.00 53.52 H new ATOM 0 HH12 ARG A 72 35.266 -11.025 -18.939 1.00 53.52 H new ATOM 0 HH21 ARG A 72 35.003 -14.104 -17.243 1.00 50.34 H new ATOM 0 HH22 ARG A 72 35.002 -13.297 -18.815 1.00 50.34 H new ATOM 1142 N SER A 73 32.464 -8.213 -11.634 1.00 4.24 N ATOM 1143 CA SER A 73 31.705 -6.996 -11.373 1.00 52.40 C ATOM 1144 C SER A 73 31.826 -6.582 -9.909 1.00 64.25 C ATOM 1145 O SER A 73 31.375 -7.294 -9.013 1.00 11.44 O ATOM 1146 CB SER A 73 30.233 -7.200 -11.736 1.00 72.33 C ATOM 1147 OG SER A 73 29.723 -6.085 -12.447 1.00 62.32 O ATOM 0 H SER A 73 31.932 -8.952 -12.094 1.00 4.24 H new ATOM 0 HA SER A 73 32.119 -6.200 -11.993 1.00 52.40 H new ATOM 0 HB2 SER A 73 30.126 -8.101 -12.341 1.00 72.33 H new ATOM 0 HB3 SER A 73 29.649 -7.354 -10.828 1.00 72.33 H new ATOM 0 HG SER A 73 28.781 -6.241 -12.669 1.00 62.32 H new ATOM 1153 N ALA A 74 32.440 -5.427 -9.677 1.00 1.43 N ATOM 1154 CA ALA A 74 32.620 -4.916 -8.323 1.00 70.32 C ATOM 1155 C ALA A 74 31.300 -4.909 -7.559 1.00 42.25 C ATOM 1156 O ALA A 74 31.279 -5.054 -6.338 1.00 23.32 O ATOM 1157 CB ALA A 74 33.218 -3.518 -8.362 1.00 13.43 C ATOM 0 H ALA A 74 32.821 -4.827 -10.409 1.00 1.43 H new ATOM 0 HA ALA A 74 33.309 -5.579 -7.799 1.00 70.32 H new ATOM 0 HB1 ALA A 74 33.347 -3.149 -7.345 1.00 13.43 H new ATOM 0 HB2 ALA A 74 34.186 -3.550 -8.862 1.00 13.43 H new ATOM 0 HB3 ALA A 74 32.550 -2.852 -8.908 1.00 13.43 H new ATOM 1163 N GLU A 75 30.201 -4.738 -8.288 1.00 2.43 N ATOM 1164 CA GLU A 75 28.877 -4.710 -7.677 1.00 5.43 C ATOM 1165 C GLU A 75 27.823 -5.251 -8.638 1.00 21.33 C ATOM 1166 O GLU A 75 27.572 -4.670 -9.694 1.00 63.20 O ATOM 1167 CB GLU A 75 28.516 -3.284 -7.256 1.00 55.42 C ATOM 1168 CG GLU A 75 29.094 -2.881 -5.910 1.00 50.42 C ATOM 1169 CD GLU A 75 28.307 -1.767 -5.247 1.00 2.10 C ATOM 1170 OE1 GLU A 75 28.496 -0.595 -5.634 1.00 12.33 O ATOM 1171 OE2 GLU A 75 27.502 -2.068 -4.341 1.00 22.32 O ATOM 0 H GLU A 75 30.201 -4.617 -9.301 1.00 2.43 H new ATOM 0 HA GLU A 75 28.899 -5.348 -6.793 1.00 5.43 H new ATOM 0 HB2 GLU A 75 28.871 -2.589 -8.017 1.00 55.42 H new ATOM 0 HB3 GLU A 75 27.431 -3.189 -7.219 1.00 55.42 H new ATOM 0 HG2 GLU A 75 29.112 -3.750 -5.252 1.00 50.42 H new ATOM 0 HG3 GLU A 75 30.127 -2.561 -6.044 1.00 50.42 H new ATOM 1178 N CYS A 76 27.209 -6.369 -8.264 1.00 51.20 N ATOM 1179 CA CYS A 76 26.182 -6.991 -9.091 1.00 64.14 C ATOM 1180 C CYS A 76 24.813 -6.891 -8.426 1.00 31.43 C ATOM 1181 O CYS A 76 24.693 -7.017 -7.207 1.00 52.01 O ATOM 1182 CB CYS A 76 26.529 -8.458 -9.353 1.00 31.20 C ATOM 1183 SG CYS A 76 27.075 -8.801 -11.057 1.00 4.33 S ATOM 0 H CYS A 76 27.405 -6.863 -7.393 1.00 51.20 H new ATOM 0 HA CYS A 76 26.144 -6.458 -10.041 1.00 64.14 H new ATOM 0 HB2 CYS A 76 27.315 -8.763 -8.663 1.00 31.20 H new ATOM 0 HB3 CYS A 76 25.656 -9.072 -9.132 1.00 31.20 H new ATOM 1188 N SER A 77 23.783 -6.665 -9.235 1.00 11.01 N ATOM 1189 CA SER A 77 22.422 -6.545 -8.725 1.00 2.22 C ATOM 1190 C SER A 77 21.618 -7.808 -9.019 1.00 3.24 C ATOM 1191 O SER A 77 21.897 -8.524 -9.981 1.00 21.14 O ATOM 1192 CB SER A 77 21.728 -5.330 -9.344 1.00 5.34 C ATOM 1193 OG SER A 77 21.852 -5.336 -10.755 1.00 72.13 O ATOM 0 H SER A 77 23.865 -6.561 -10.246 1.00 11.01 H new ATOM 0 HA SER A 77 22.476 -6.413 -7.644 1.00 2.22 H new ATOM 0 HB2 SER A 77 20.673 -5.330 -9.069 1.00 5.34 H new ATOM 0 HB3 SER A 77 22.162 -4.415 -8.942 1.00 5.34 H new ATOM 0 HG SER A 77 21.399 -4.551 -11.127 1.00 72.13 H new ATOM 1199 N ILE A 78 20.620 -8.074 -8.183 1.00 2.11 N ATOM 1200 CA ILE A 78 19.775 -9.249 -8.353 1.00 30.22 C ATOM 1201 C ILE A 78 18.298 -8.884 -8.250 1.00 1.32 C ATOM 1202 O ILE A 78 17.910 -8.047 -7.434 1.00 51.32 O ATOM 1203 CB ILE A 78 20.099 -10.331 -7.306 1.00 73.51 C ATOM 1204 CG1 ILE A 78 21.564 -10.757 -7.417 1.00 61.32 C ATOM 1205 CG2 ILE A 78 19.178 -11.530 -7.482 1.00 23.14 C ATOM 1206 CD1 ILE A 78 22.448 -10.166 -6.342 1.00 44.30 C ATOM 0 H ILE A 78 20.377 -7.492 -7.382 1.00 2.11 H new ATOM 0 HA ILE A 78 19.980 -9.644 -9.348 1.00 30.22 H new ATOM 0 HB ILE A 78 19.936 -9.915 -6.312 1.00 73.51 H new ATOM 0 HG12 ILE A 78 21.623 -11.844 -7.367 1.00 61.32 H new ATOM 0 HG13 ILE A 78 21.947 -10.462 -8.394 1.00 61.32 H new ATOM 0 HG21 ILE A 78 19.419 -12.286 -6.735 1.00 23.14 H new ATOM 0 HG22 ILE A 78 18.142 -11.214 -7.358 1.00 23.14 H new ATOM 0 HG23 ILE A 78 19.313 -11.949 -8.479 1.00 23.14 H new ATOM 0 HD11 ILE A 78 23.472 -10.511 -6.483 1.00 44.30 H new ATOM 0 HD12 ILE A 78 22.420 -9.078 -6.405 1.00 44.30 H new ATOM 0 HD13 ILE A 78 22.090 -10.482 -5.362 1.00 44.30 H new ATOM 1218 N HIS A 79 17.478 -9.518 -9.081 1.00 74.33 N ATOM 1219 CA HIS A 79 16.042 -9.262 -9.082 1.00 52.34 C ATOM 1220 C HIS A 79 15.269 -10.497 -8.632 1.00 32.54 C ATOM 1221 O HIS A 79 15.633 -11.626 -8.964 1.00 61.23 O ATOM 1222 CB HIS A 79 15.579 -8.837 -10.477 1.00 24.05 C ATOM 1223 CG HIS A 79 16.473 -7.822 -11.121 1.00 31.14 C ATOM 1224 ND1 HIS A 79 17.032 -7.996 -12.369 1.00 21.10 N ATOM 1225 CD2 HIS A 79 16.902 -6.615 -10.683 1.00 31.44 C ATOM 1226 CE1 HIS A 79 17.768 -6.941 -12.670 1.00 72.13 C ATOM 1227 NE2 HIS A 79 17.705 -6.088 -11.664 1.00 22.23 N ATOM 0 H HIS A 79 17.783 -10.213 -9.763 1.00 74.33 H new ATOM 0 HA HIS A 79 15.842 -8.454 -8.378 1.00 52.34 H new ATOM 0 HB2 HIS A 79 15.523 -9.718 -11.116 1.00 24.05 H new ATOM 0 HB3 HIS A 79 14.571 -8.429 -10.408 1.00 24.05 H new ATOM 0 HD2 HIS A 79 16.658 -6.153 -9.738 1.00 31.44 H new ATOM 0 HE1 HIS A 79 18.326 -6.800 -13.584 1.00 72.13 H new ATOM 0 HE2 HIS A 79 18.176 -5.184 -11.622 1.00 22.23 H new ATOM 1235 N LEU A 80 14.201 -10.277 -7.873 1.00 21.03 N ATOM 1236 CA LEU A 80 13.376 -11.373 -7.375 1.00 44.13 C ATOM 1237 C LEU A 80 11.905 -10.974 -7.339 1.00 54.04 C ATOM 1238 O LEU A 80 11.575 -9.791 -7.263 1.00 34.13 O ATOM 1239 CB LEU A 80 13.838 -11.791 -5.978 1.00 14.31 C ATOM 1240 CG LEU A 80 13.039 -12.914 -5.316 1.00 21.04 C ATOM 1241 CD1 LEU A 80 13.938 -13.751 -4.419 1.00 63.55 C ATOM 1242 CD2 LEU A 80 11.874 -12.343 -4.521 1.00 33.11 C ATOM 0 H LEU A 80 13.886 -9.350 -7.589 1.00 21.03 H new ATOM 0 HA LEU A 80 13.487 -12.217 -8.055 1.00 44.13 H new ATOM 0 HB2 LEU A 80 14.881 -12.102 -6.040 1.00 14.31 H new ATOM 0 HB3 LEU A 80 13.804 -10.916 -5.329 1.00 14.31 H new ATOM 0 HG LEU A 80 12.638 -13.558 -6.098 1.00 21.04 H new ATOM 0 HD11 LEU A 80 13.352 -14.545 -3.956 1.00 63.55 H new ATOM 0 HD12 LEU A 80 14.739 -14.190 -5.014 1.00 63.55 H new ATOM 0 HD13 LEU A 80 14.368 -13.118 -3.643 1.00 63.55 H new ATOM 0 HD21 LEU A 80 11.317 -13.157 -4.057 1.00 33.11 H new ATOM 0 HD22 LEU A 80 12.254 -11.676 -3.747 1.00 33.11 H new ATOM 0 HD23 LEU A 80 11.216 -11.787 -5.189 1.00 33.11 H new ATOM 1254 N GLU A 81 11.025 -11.970 -7.393 1.00 44.43 N ATOM 1255 CA GLU A 81 9.589 -11.721 -7.365 1.00 72.44 C ATOM 1256 C GLU A 81 8.900 -12.625 -6.346 1.00 43.04 C ATOM 1257 O GLU A 81 8.920 -13.849 -6.473 1.00 33.44 O ATOM 1258 CB GLU A 81 8.983 -11.945 -8.753 1.00 1.43 C ATOM 1259 CG GLU A 81 8.744 -10.659 -9.526 1.00 54.03 C ATOM 1260 CD GLU A 81 8.179 -10.908 -10.911 1.00 71.14 C ATOM 1261 OE1 GLU A 81 7.486 -11.930 -11.095 1.00 60.52 O ATOM 1262 OE2 GLU A 81 8.430 -10.080 -11.812 1.00 2.34 O ATOM 0 H GLU A 81 11.282 -12.955 -7.456 1.00 44.43 H new ATOM 0 HA GLU A 81 9.432 -10.683 -7.070 1.00 72.44 H new ATOM 0 HB2 GLU A 81 9.647 -12.589 -9.331 1.00 1.43 H new ATOM 0 HB3 GLU A 81 8.037 -12.476 -8.646 1.00 1.43 H new ATOM 0 HG2 GLU A 81 8.057 -10.025 -8.966 1.00 54.03 H new ATOM 0 HG3 GLU A 81 9.683 -10.112 -9.613 1.00 54.03 H new ATOM 1269 N VAL A 82 8.292 -12.012 -5.336 1.00 4.32 N ATOM 1270 CA VAL A 82 7.597 -12.759 -4.295 1.00 21.22 C ATOM 1271 C VAL A 82 6.116 -12.910 -4.623 1.00 11.34 C ATOM 1272 O VAL A 82 5.355 -11.944 -4.560 1.00 52.32 O ATOM 1273 CB VAL A 82 7.741 -12.076 -2.922 1.00 0.11 C ATOM 1274 CG1 VAL A 82 7.357 -13.035 -1.805 1.00 42.33 C ATOM 1275 CG2 VAL A 82 9.159 -11.561 -2.730 1.00 5.03 C ATOM 0 H VAL A 82 8.267 -10.999 -5.216 1.00 4.32 H new ATOM 0 HA VAL A 82 8.059 -13.745 -4.251 1.00 21.22 H new ATOM 0 HB VAL A 82 7.062 -11.224 -2.886 1.00 0.11 H new ATOM 0 HG11 VAL A 82 7.465 -12.535 -0.843 1.00 42.33 H new ATOM 0 HG12 VAL A 82 6.322 -13.350 -1.936 1.00 42.33 H new ATOM 0 HG13 VAL A 82 8.009 -13.908 -1.835 1.00 42.33 H new ATOM 0 HG21 VAL A 82 9.243 -11.081 -1.755 1.00 5.03 H new ATOM 0 HG22 VAL A 82 9.859 -12.394 -2.786 1.00 5.03 H new ATOM 0 HG23 VAL A 82 9.392 -10.838 -3.511 1.00 5.03 H new ATOM 1285 N ILE A 83 5.714 -14.127 -4.971 1.00 75.04 N ATOM 1286 CA ILE A 83 4.323 -14.404 -5.307 1.00 75.33 C ATOM 1287 C ILE A 83 3.496 -14.667 -4.053 1.00 52.41 C ATOM 1288 O ILE A 83 3.734 -15.635 -3.331 1.00 13.11 O ATOM 1289 CB ILE A 83 4.202 -15.616 -6.251 1.00 11.42 C ATOM 1290 CG1 ILE A 83 5.198 -15.491 -7.406 1.00 31.44 C ATOM 1291 CG2 ILE A 83 2.781 -15.735 -6.780 1.00 73.04 C ATOM 1292 CD1 ILE A 83 6.507 -16.206 -7.154 1.00 3.12 C ATOM 0 H ILE A 83 6.331 -14.937 -5.028 1.00 75.04 H new ATOM 0 HA ILE A 83 3.939 -13.519 -5.814 1.00 75.33 H new ATOM 0 HB ILE A 83 4.437 -16.521 -5.690 1.00 11.42 H new ATOM 0 HG12 ILE A 83 4.743 -15.891 -8.312 1.00 31.44 H new ATOM 0 HG13 ILE A 83 5.399 -14.436 -7.589 1.00 31.44 H new ATOM 0 HG21 ILE A 83 2.711 -16.596 -7.445 1.00 73.04 H new ATOM 0 HG22 ILE A 83 2.092 -15.865 -5.946 1.00 73.04 H new ATOM 0 HG23 ILE A 83 2.520 -14.830 -7.329 1.00 73.04 H new ATOM 0 HD11 ILE A 83 7.164 -16.075 -8.014 1.00 3.12 H new ATOM 0 HD12 ILE A 83 6.984 -15.790 -6.266 1.00 3.12 H new ATOM 0 HD13 ILE A 83 6.318 -17.268 -7.000 1.00 3.12 H new ATOM 1304 N VAL A 84 2.522 -13.798 -3.801 1.00 33.14 N ATOM 1305 CA VAL A 84 1.657 -13.937 -2.635 1.00 73.01 C ATOM 1306 C VAL A 84 0.199 -14.107 -3.049 1.00 45.15 C ATOM 1307 O VAL A 84 -0.306 -13.369 -3.895 1.00 53.31 O ATOM 1308 CB VAL A 84 1.775 -12.719 -1.700 1.00 55.43 C ATOM 1309 CG1 VAL A 84 3.109 -12.733 -0.970 1.00 51.52 C ATOM 1310 CG2 VAL A 84 1.600 -11.427 -2.485 1.00 1.13 C ATOM 0 H VAL A 84 2.312 -12.991 -4.388 1.00 33.14 H new ATOM 0 HA VAL A 84 1.986 -14.828 -2.101 1.00 73.01 H new ATOM 0 HB VAL A 84 0.981 -12.776 -0.955 1.00 55.43 H new ATOM 0 HG11 VAL A 84 3.174 -11.865 -0.314 1.00 51.52 H new ATOM 0 HG12 VAL A 84 3.189 -13.643 -0.376 1.00 51.52 H new ATOM 0 HG13 VAL A 84 3.921 -12.701 -1.696 1.00 51.52 H new ATOM 0 HG21 VAL A 84 1.686 -10.576 -1.809 1.00 1.13 H new ATOM 0 HG22 VAL A 84 2.371 -11.360 -3.253 1.00 1.13 H new ATOM 0 HG23 VAL A 84 0.617 -11.418 -2.956 1.00 1.13 H new ATOM 1320 N ASP A 85 -0.471 -15.084 -2.448 1.00 44.42 N ATOM 1321 CA ASP A 85 -1.872 -15.350 -2.753 1.00 64.12 C ATOM 1322 C ASP A 85 -2.778 -14.826 -1.644 1.00 54.42 C ATOM 1323 O ASP A 85 -2.704 -15.278 -0.502 1.00 23.23 O ATOM 1324 CB ASP A 85 -2.097 -16.850 -2.947 1.00 32.44 C ATOM 1325 CG ASP A 85 -2.818 -17.165 -4.242 1.00 75.14 C ATOM 1326 OD1 ASP A 85 -4.034 -16.889 -4.328 1.00 4.23 O ATOM 1327 OD2 ASP A 85 -2.168 -17.687 -5.172 1.00 3.25 O ATOM 0 H ASP A 85 -0.067 -15.705 -1.747 1.00 44.42 H new ATOM 0 HA ASP A 85 -2.123 -14.830 -3.678 1.00 64.12 H new ATOM 0 HB2 ASP A 85 -1.135 -17.363 -2.936 1.00 32.44 H new ATOM 0 HB3 ASP A 85 -2.675 -17.239 -2.109 1.00 32.44 H new ATOM 1332 N ARG A 86 -3.633 -13.868 -1.989 1.00 73.30 N ATOM 1333 CA ARG A 86 -4.553 -13.280 -1.022 1.00 63.52 C ATOM 1334 C ARG A 86 -3.797 -12.450 0.011 1.00 12.02 C ATOM 1335 O ARG A 86 -3.454 -12.924 1.094 1.00 35.15 O ATOM 1336 CB ARG A 86 -5.359 -14.376 -0.322 1.00 4.25 C ATOM 1337 CG ARG A 86 -6.785 -13.967 0.008 1.00 41.53 C ATOM 1338 CD ARG A 86 -6.864 -13.251 1.347 1.00 0.12 C ATOM 1339 NE ARG A 86 -7.446 -14.097 2.386 1.00 3.30 N ATOM 1340 CZ ARG A 86 -7.654 -13.690 3.633 1.00 24.45 C ATOM 1341 NH1 ARG A 86 -7.329 -12.457 3.995 1.00 13.32 N ATOM 1342 NH2 ARG A 86 -8.187 -14.519 4.522 1.00 15.31 N ATOM 0 H ARG A 86 -3.708 -13.483 -2.930 1.00 73.30 H new ATOM 0 HA ARG A 86 -5.237 -12.624 -1.560 1.00 63.52 H new ATOM 0 HB2 ARG A 86 -5.382 -15.261 -0.958 1.00 4.25 H new ATOM 0 HB3 ARG A 86 -4.849 -14.658 0.599 1.00 4.25 H new ATOM 0 HG2 ARG A 86 -7.169 -13.316 -0.777 1.00 41.53 H new ATOM 0 HG3 ARG A 86 -7.423 -14.851 0.029 1.00 41.53 H new ATOM 0 HD2 ARG A 86 -5.865 -12.939 1.651 1.00 0.12 H new ATOM 0 HD3 ARG A 86 -7.462 -12.346 1.239 1.00 0.12 H new ATOM 0 HE ARG A 86 -7.707 -15.052 2.140 1.00 3.30 H new ATOM 0 HH11 ARG A 86 -6.918 -11.817 3.315 1.00 13.32 H new ATOM 0 HH12 ARG A 86 -7.490 -12.148 4.954 1.00 13.32 H new ATOM 0 HH21 ARG A 86 -8.437 -15.469 4.248 1.00 15.31 H new ATOM 0 HH22 ARG A 86 -8.347 -14.206 5.480 1.00 15.31 H new ATOM 1356 N PRO A 87 -3.530 -11.181 -0.330 1.00 53.40 N ATOM 1357 CA PRO A 87 -3.933 -10.605 -1.617 1.00 22.41 C ATOM 1358 C PRO A 87 -3.144 -11.188 -2.784 1.00 61.24 C ATOM 1359 O PRO A 87 -2.050 -11.724 -2.602 1.00 31.51 O ATOM 1360 CB PRO A 87 -3.622 -9.116 -1.452 1.00 50.42 C ATOM 1361 CG PRO A 87 -2.546 -9.065 -0.423 1.00 42.54 C ATOM 1362 CD PRO A 87 -2.814 -10.209 0.514 1.00 35.20 C ATOM 0 HA PRO A 87 -4.978 -10.813 -1.848 1.00 22.41 H new ATOM 0 HB2 PRO A 87 -3.292 -8.674 -2.392 1.00 50.42 H new ATOM 0 HB3 PRO A 87 -4.503 -8.561 -1.131 1.00 50.42 H new ATOM 0 HG2 PRO A 87 -1.562 -9.159 -0.882 1.00 42.54 H new ATOM 0 HG3 PRO A 87 -2.560 -8.114 0.109 1.00 42.54 H new ATOM 0 HD2 PRO A 87 -1.890 -10.627 0.912 1.00 35.20 H new ATOM 0 HD3 PRO A 87 -3.416 -9.897 1.367 1.00 35.20 H new ATOM 1370 N LEU A 88 -3.705 -11.080 -3.984 1.00 5.31 N ATOM 1371 CA LEU A 88 -3.053 -11.596 -5.183 1.00 3.24 C ATOM 1372 C LEU A 88 -2.176 -10.528 -5.828 1.00 41.34 C ATOM 1373 O LEU A 88 -2.679 -9.570 -6.414 1.00 13.50 O ATOM 1374 CB LEU A 88 -4.099 -12.087 -6.184 1.00 60.25 C ATOM 1375 CG LEU A 88 -4.099 -13.589 -6.473 1.00 45.23 C ATOM 1376 CD1 LEU A 88 -5.476 -14.181 -6.221 1.00 73.24 C ATOM 1377 CD2 LEU A 88 -3.654 -13.857 -7.904 1.00 12.42 C ATOM 0 H LEU A 88 -4.610 -10.640 -4.152 1.00 5.31 H new ATOM 0 HA LEU A 88 -2.418 -12.433 -4.891 1.00 3.24 H new ATOM 0 HB2 LEU A 88 -5.086 -11.809 -5.814 1.00 60.25 H new ATOM 0 HB3 LEU A 88 -3.950 -11.556 -7.124 1.00 60.25 H new ATOM 0 HG LEU A 88 -3.391 -14.069 -5.798 1.00 45.23 H new ATOM 0 HD11 LEU A 88 -5.457 -15.250 -6.432 1.00 73.24 H new ATOM 0 HD12 LEU A 88 -5.756 -14.022 -5.180 1.00 73.24 H new ATOM 0 HD13 LEU A 88 -6.205 -13.696 -6.871 1.00 73.24 H new ATOM 0 HD21 LEU A 88 -3.660 -14.931 -8.092 1.00 12.42 H new ATOM 0 HD22 LEU A 88 -4.337 -13.364 -8.596 1.00 12.42 H new ATOM 0 HD23 LEU A 88 -2.646 -13.469 -8.050 1.00 12.42 H new ATOM 1389 N GLN A 89 -0.863 -10.702 -5.719 1.00 2.44 N ATOM 1390 CA GLN A 89 0.084 -9.753 -6.294 1.00 14.14 C ATOM 1391 C GLN A 89 1.521 -10.197 -6.041 1.00 54.13 C ATOM 1392 O GLN A 89 1.762 -11.221 -5.402 1.00 72.12 O ATOM 1393 CB GLN A 89 -0.142 -8.358 -5.709 1.00 2.52 C ATOM 1394 CG GLN A 89 -0.280 -8.347 -4.195 1.00 30.30 C ATOM 1395 CD GLN A 89 0.436 -7.176 -3.551 1.00 62.54 C ATOM 1396 OE1 GLN A 89 1.447 -6.694 -4.064 1.00 33.32 O ATOM 1397 NE2 GLN A 89 -0.085 -6.712 -2.422 1.00 3.13 N ATOM 0 H GLN A 89 -0.431 -11.491 -5.238 1.00 2.44 H new ATOM 0 HA GLN A 89 -0.082 -9.719 -7.371 1.00 14.14 H new ATOM 0 HB2 GLN A 89 0.690 -7.715 -5.994 1.00 2.52 H new ATOM 0 HB3 GLN A 89 -1.042 -7.930 -6.150 1.00 2.52 H new ATOM 0 HG2 GLN A 89 -1.337 -8.311 -3.931 1.00 30.30 H new ATOM 0 HG3 GLN A 89 0.118 -9.278 -3.791 1.00 30.30 H new ATOM 0 HE21 GLN A 89 -0.924 -7.142 -2.033 1.00 3.13 H new ATOM 0 HE22 GLN A 89 0.354 -5.925 -1.943 1.00 3.13 H new ATOM 1406 N VAL A 90 2.473 -9.420 -6.548 1.00 14.30 N ATOM 1407 CA VAL A 90 3.886 -9.732 -6.377 1.00 24.21 C ATOM 1408 C VAL A 90 4.622 -8.591 -5.684 1.00 53.50 C ATOM 1409 O VAL A 90 4.187 -7.440 -5.730 1.00 1.53 O ATOM 1410 CB VAL A 90 4.565 -10.020 -7.729 1.00 43.32 C ATOM 1411 CG1 VAL A 90 5.939 -10.638 -7.517 1.00 12.24 C ATOM 1412 CG2 VAL A 90 3.690 -10.925 -8.582 1.00 61.43 C ATOM 0 H VAL A 90 2.291 -8.570 -7.081 1.00 14.30 H new ATOM 0 HA VAL A 90 3.939 -10.625 -5.754 1.00 24.21 H new ATOM 0 HB VAL A 90 4.696 -9.076 -8.258 1.00 43.32 H new ATOM 0 HG11 VAL A 90 6.403 -10.834 -8.484 1.00 12.24 H new ATOM 0 HG12 VAL A 90 6.564 -9.950 -6.948 1.00 12.24 H new ATOM 0 HG13 VAL A 90 5.836 -11.574 -6.967 1.00 12.24 H new ATOM 0 HG21 VAL A 90 4.185 -11.118 -9.534 1.00 61.43 H new ATOM 0 HG22 VAL A 90 3.525 -11.868 -8.061 1.00 61.43 H new ATOM 0 HG23 VAL A 90 2.732 -10.438 -8.764 1.00 61.43 H new ATOM 1422 N PHE A 91 5.739 -8.917 -5.043 1.00 11.45 N ATOM 1423 CA PHE A 91 6.536 -7.918 -4.339 1.00 33.31 C ATOM 1424 C PHE A 91 7.916 -7.778 -4.974 1.00 21.23 C ATOM 1425 O PHE A 91 8.666 -8.750 -5.077 1.00 10.31 O ATOM 1426 CB PHE A 91 6.677 -8.295 -2.863 1.00 34.33 C ATOM 1427 CG PHE A 91 5.362 -8.403 -2.143 1.00 64.15 C ATOM 1428 CD1 PHE A 91 4.383 -7.438 -2.315 1.00 33.53 C ATOM 1429 CD2 PHE A 91 5.107 -9.469 -1.296 1.00 1.14 C ATOM 1430 CE1 PHE A 91 3.172 -7.535 -1.655 1.00 1.24 C ATOM 1431 CE2 PHE A 91 3.898 -9.571 -0.633 1.00 43.33 C ATOM 1432 CZ PHE A 91 2.930 -8.602 -0.812 1.00 2.00 C ATOM 0 H PHE A 91 6.113 -9.865 -4.996 1.00 11.45 H new ATOM 0 HA PHE A 91 6.022 -6.960 -4.414 1.00 33.31 H new ATOM 0 HB2 PHE A 91 7.202 -9.247 -2.788 1.00 34.33 H new ATOM 0 HB3 PHE A 91 7.296 -7.549 -2.363 1.00 34.33 H new ATOM 0 HD1 PHE A 91 4.568 -6.601 -2.972 1.00 33.53 H new ATOM 0 HD2 PHE A 91 5.861 -10.229 -1.152 1.00 1.14 H new ATOM 0 HE1 PHE A 91 2.416 -6.777 -1.798 1.00 1.24 H new ATOM 0 HE2 PHE A 91 3.711 -10.407 0.024 1.00 43.33 H new ATOM 0 HZ PHE A 91 1.986 -8.679 -0.294 1.00 2.00 H new ATOM 1442 N HIS A 92 8.245 -6.562 -5.398 1.00 60.35 N ATOM 1443 CA HIS A 92 9.535 -6.294 -6.024 1.00 2.14 C ATOM 1444 C HIS A 92 10.666 -6.407 -5.006 1.00 22.32 C ATOM 1445 O HIS A 92 10.706 -5.669 -4.022 1.00 1.41 O ATOM 1446 CB HIS A 92 9.540 -4.902 -6.655 1.00 53.44 C ATOM 1447 CG HIS A 92 10.028 -4.888 -8.071 1.00 54.14 C ATOM 1448 ND1 HIS A 92 11.362 -4.978 -8.409 1.00 35.43 N ATOM 1449 CD2 HIS A 92 9.351 -4.795 -9.240 1.00 71.30 C ATOM 1450 CE1 HIS A 92 11.484 -4.940 -9.723 1.00 64.35 C ATOM 1451 NE2 HIS A 92 10.279 -4.830 -10.252 1.00 11.13 N ATOM 0 H HIS A 92 7.637 -5.747 -5.320 1.00 60.35 H new ATOM 0 HA HIS A 92 9.695 -7.039 -6.804 1.00 2.14 H new ATOM 0 HB2 HIS A 92 8.530 -4.494 -6.624 1.00 53.44 H new ATOM 0 HB3 HIS A 92 10.169 -4.243 -6.056 1.00 53.44 H new ATOM 0 HD2 HIS A 92 8.281 -4.709 -9.355 1.00 71.30 H new ATOM 0 HE1 HIS A 92 12.412 -4.990 -10.272 1.00 64.35 H new ATOM 0 HE2 HIS A 92 10.071 -4.779 -11.249 1.00 11.13 H new ATOM 1459 N VAL A 93 11.584 -7.338 -5.249 1.00 53.11 N ATOM 1460 CA VAL A 93 12.715 -7.548 -4.354 1.00 45.12 C ATOM 1461 C VAL A 93 14.036 -7.481 -5.113 1.00 71.03 C ATOM 1462 O VAL A 93 14.239 -8.203 -6.089 1.00 51.51 O ATOM 1463 CB VAL A 93 12.618 -8.906 -3.635 1.00 33.41 C ATOM 1464 CG1 VAL A 93 13.866 -9.161 -2.803 1.00 75.43 C ATOM 1465 CG2 VAL A 93 11.369 -8.961 -2.768 1.00 71.11 C ATOM 0 H VAL A 93 11.566 -7.958 -6.058 1.00 53.11 H new ATOM 0 HA VAL A 93 12.684 -6.750 -3.612 1.00 45.12 H new ATOM 0 HB VAL A 93 12.546 -9.691 -4.387 1.00 33.41 H new ATOM 0 HG11 VAL A 93 13.779 -10.125 -2.302 1.00 75.43 H new ATOM 0 HG12 VAL A 93 14.741 -9.167 -3.453 1.00 75.43 H new ATOM 0 HG13 VAL A 93 13.973 -8.373 -2.057 1.00 75.43 H new ATOM 0 HG21 VAL A 93 11.316 -9.928 -2.267 1.00 71.11 H new ATOM 0 HG22 VAL A 93 11.409 -8.167 -2.022 1.00 71.11 H new ATOM 0 HG23 VAL A 93 10.486 -8.827 -3.393 1.00 71.11 H new ATOM 1475 N GLU A 94 14.931 -6.610 -4.657 1.00 52.05 N ATOM 1476 CA GLU A 94 16.233 -6.449 -5.295 1.00 35.14 C ATOM 1477 C GLU A 94 17.355 -6.515 -4.263 1.00 41.10 C ATOM 1478 O GLU A 94 17.466 -5.651 -3.393 1.00 54.32 O ATOM 1479 CB GLU A 94 16.295 -5.119 -6.049 1.00 22.14 C ATOM 1480 CG GLU A 94 15.650 -3.965 -5.301 1.00 13.41 C ATOM 1481 CD GLU A 94 16.466 -2.689 -5.380 1.00 23.34 C ATOM 1482 OE1 GLU A 94 17.687 -2.749 -5.124 1.00 61.14 O ATOM 1483 OE2 GLU A 94 15.884 -1.631 -5.697 1.00 33.21 O ATOM 0 H GLU A 94 14.779 -6.006 -3.849 1.00 52.05 H new ATOM 0 HA GLU A 94 16.366 -7.266 -6.004 1.00 35.14 H new ATOM 0 HB2 GLU A 94 17.338 -4.873 -6.250 1.00 22.14 H new ATOM 0 HB3 GLU A 94 15.803 -5.235 -7.015 1.00 22.14 H new ATOM 0 HG2 GLU A 94 14.656 -3.782 -5.710 1.00 13.41 H new ATOM 0 HG3 GLU A 94 15.518 -4.243 -4.255 1.00 13.41 H new ATOM 1490 N VAL A 95 18.186 -7.547 -4.366 1.00 61.24 N ATOM 1491 CA VAL A 95 19.301 -7.727 -3.444 1.00 13.23 C ATOM 1492 C VAL A 95 20.635 -7.489 -4.141 1.00 63.43 C ATOM 1493 O VAL A 95 20.876 -8.005 -5.232 1.00 64.02 O ATOM 1494 CB VAL A 95 19.299 -9.139 -2.830 1.00 30.34 C ATOM 1495 CG1 VAL A 95 18.078 -9.335 -1.944 1.00 22.14 C ATOM 1496 CG2 VAL A 95 19.349 -10.195 -3.923 1.00 61.44 C ATOM 0 H VAL A 95 18.108 -8.272 -5.079 1.00 61.24 H new ATOM 0 HA VAL A 95 19.175 -6.993 -2.648 1.00 13.23 H new ATOM 0 HB VAL A 95 20.189 -9.248 -2.210 1.00 30.34 H new ATOM 0 HG11 VAL A 95 18.094 -10.339 -1.519 1.00 22.14 H new ATOM 0 HG12 VAL A 95 18.091 -8.600 -1.139 1.00 22.14 H new ATOM 0 HG13 VAL A 95 17.173 -9.207 -2.538 1.00 22.14 H new ATOM 0 HG21 VAL A 95 19.347 -11.187 -3.471 1.00 61.44 H new ATOM 0 HG22 VAL A 95 18.479 -10.090 -4.571 1.00 61.44 H new ATOM 0 HG23 VAL A 95 20.257 -10.067 -4.512 1.00 61.44 H new ATOM 1506 N GLU A 96 21.499 -6.706 -3.503 1.00 42.24 N ATOM 1507 CA GLU A 96 22.810 -6.400 -4.064 1.00 1.01 C ATOM 1508 C GLU A 96 23.916 -7.091 -3.271 1.00 14.13 C ATOM 1509 O GLU A 96 23.755 -7.383 -2.085 1.00 43.45 O ATOM 1510 CB GLU A 96 23.044 -4.888 -4.076 1.00 3.14 C ATOM 1511 CG GLU A 96 23.076 -4.288 -5.471 1.00 44.30 C ATOM 1512 CD GLU A 96 24.102 -3.179 -5.606 1.00 13.43 C ATOM 1513 OE1 GLU A 96 25.301 -3.493 -5.750 1.00 63.24 O ATOM 1514 OE2 GLU A 96 23.703 -1.995 -5.567 1.00 24.55 O ATOM 0 H GLU A 96 21.315 -6.272 -2.598 1.00 42.24 H new ATOM 0 HA GLU A 96 22.834 -6.772 -5.088 1.00 1.01 H new ATOM 0 HB2 GLU A 96 22.257 -4.403 -3.499 1.00 3.14 H new ATOM 0 HB3 GLU A 96 23.987 -4.671 -3.575 1.00 3.14 H new ATOM 0 HG2 GLU A 96 23.297 -5.072 -6.195 1.00 44.30 H new ATOM 0 HG3 GLU A 96 22.089 -3.896 -5.717 1.00 44.30 H new ATOM 1521 N VAL A 97 25.038 -7.350 -3.934 1.00 20.41 N ATOM 1522 CA VAL A 97 26.171 -8.006 -3.292 1.00 20.30 C ATOM 1523 C VAL A 97 27.240 -6.994 -2.897 1.00 23.12 C ATOM 1524 O VAL A 97 27.645 -6.157 -3.703 1.00 43.14 O ATOM 1525 CB VAL A 97 26.800 -9.068 -4.213 1.00 64.31 C ATOM 1526 CG1 VAL A 97 25.971 -10.343 -4.203 1.00 30.31 C ATOM 1527 CG2 VAL A 97 26.945 -8.528 -5.628 1.00 11.23 C ATOM 0 H VAL A 97 25.187 -7.116 -4.915 1.00 20.41 H new ATOM 0 HA VAL A 97 25.788 -8.494 -2.396 1.00 20.30 H new ATOM 0 HB VAL A 97 27.794 -9.307 -3.836 1.00 64.31 H new ATOM 0 HG11 VAL A 97 26.431 -11.081 -4.860 1.00 30.31 H new ATOM 0 HG12 VAL A 97 25.924 -10.739 -3.188 1.00 30.31 H new ATOM 0 HG13 VAL A 97 24.963 -10.124 -4.554 1.00 30.31 H new ATOM 0 HG21 VAL A 97 27.391 -9.292 -6.265 1.00 11.23 H new ATOM 0 HG22 VAL A 97 25.963 -8.259 -6.017 1.00 11.23 H new ATOM 0 HG23 VAL A 97 27.585 -7.646 -5.617 1.00 11.23 H new ATOM 1537 N ARG A 98 27.694 -7.077 -1.650 1.00 61.14 N ATOM 1538 CA ARG A 98 28.717 -6.168 -1.147 1.00 55.44 C ATOM 1539 C ARG A 98 30.029 -6.907 -0.902 1.00 15.05 C ATOM 1540 O ARG A 98 30.092 -7.825 -0.083 1.00 54.51 O ATOM 1541 CB ARG A 98 28.244 -5.501 0.146 1.00 45.32 C ATOM 1542 CG ARG A 98 29.176 -4.407 0.642 1.00 20.13 C ATOM 1543 CD ARG A 98 29.076 -4.232 2.150 1.00 62.14 C ATOM 1544 NE ARG A 98 29.712 -2.997 2.601 1.00 52.05 N ATOM 1545 CZ ARG A 98 31.026 -2.850 2.726 1.00 30.10 C ATOM 1546 NH1 ARG A 98 31.840 -3.856 2.436 1.00 55.14 N ATOM 1547 NH2 ARG A 98 31.529 -1.695 3.142 1.00 11.14 N ATOM 0 H ARG A 98 27.369 -7.764 -0.970 1.00 61.14 H new ATOM 0 HA ARG A 98 28.889 -5.401 -1.902 1.00 55.44 H new ATOM 0 HB2 ARG A 98 27.253 -5.077 -0.015 1.00 45.32 H new ATOM 0 HB3 ARG A 98 28.144 -6.261 0.921 1.00 45.32 H new ATOM 0 HG2 ARG A 98 30.203 -4.651 0.370 1.00 20.13 H new ATOM 0 HG3 ARG A 98 28.931 -3.467 0.148 1.00 20.13 H new ATOM 0 HD2 ARG A 98 28.027 -4.228 2.446 1.00 62.14 H new ATOM 0 HD3 ARG A 98 29.544 -5.083 2.645 1.00 62.14 H new ATOM 0 HE ARG A 98 29.114 -2.204 2.833 1.00 52.05 H new ATOM 0 HH11 ARG A 98 31.457 -4.746 2.116 1.00 55.14 H new ATOM 0 HH12 ARG A 98 32.849 -3.740 2.533 1.00 55.14 H new ATOM 0 HH21 ARG A 98 30.906 -0.919 3.366 1.00 11.14 H new ATOM 0 HH22 ARG A 98 32.538 -1.583 3.238 1.00 11.14 H new ATOM 1561 N ASP A 99 31.073 -6.502 -1.616 1.00 13.44 N ATOM 1562 CA ASP A 99 32.384 -7.125 -1.475 1.00 14.22 C ATOM 1563 C ASP A 99 33.411 -6.437 -2.368 1.00 2.51 C ATOM 1564 O ASP A 99 33.091 -5.482 -3.077 1.00 4.22 O ATOM 1565 CB ASP A 99 32.304 -8.613 -1.820 1.00 44.43 C ATOM 1566 CG ASP A 99 33.207 -9.459 -0.944 1.00 73.23 C ATOM 1567 OD1 ASP A 99 34.415 -9.548 -1.247 1.00 42.31 O ATOM 1568 OD2 ASP A 99 32.705 -10.033 0.045 1.00 55.34 O ATOM 0 H ASP A 99 31.037 -5.745 -2.299 1.00 13.44 H new ATOM 0 HA ASP A 99 32.701 -7.017 -0.438 1.00 14.22 H new ATOM 0 HB2 ASP A 99 31.274 -8.953 -1.711 1.00 44.43 H new ATOM 0 HB3 ASP A 99 32.578 -8.756 -2.865 1.00 44.43 H new ATOM 1573 N ILE A 100 34.646 -6.927 -2.327 1.00 55.23 N ATOM 1574 CA ILE A 100 35.719 -6.359 -3.133 1.00 4.33 C ATOM 1575 C ILE A 100 36.434 -7.440 -3.936 1.00 45.54 C ATOM 1576 O ILE A 100 36.413 -8.614 -3.572 1.00 25.21 O ATOM 1577 CB ILE A 100 36.749 -5.620 -2.258 1.00 10.33 C ATOM 1578 CG1 ILE A 100 36.038 -4.756 -1.214 1.00 75.11 C ATOM 1579 CG2 ILE A 100 37.665 -4.767 -3.123 1.00 60.41 C ATOM 1580 CD1 ILE A 100 35.122 -3.713 -1.816 1.00 1.14 C ATOM 0 H ILE A 100 34.928 -7.716 -1.744 1.00 55.23 H new ATOM 0 HA ILE A 100 35.257 -5.647 -3.817 1.00 4.33 H new ATOM 0 HB ILE A 100 37.358 -6.359 -1.737 1.00 10.33 H new ATOM 0 HG12 ILE A 100 35.457 -5.401 -0.555 1.00 75.11 H new ATOM 0 HG13 ILE A 100 36.785 -4.258 -0.596 1.00 75.11 H new ATOM 0 HG21 ILE A 100 38.387 -4.251 -2.490 1.00 60.41 H new ATOM 0 HG22 ILE A 100 38.194 -5.404 -3.832 1.00 60.41 H new ATOM 0 HG23 ILE A 100 37.071 -4.033 -3.668 1.00 60.41 H new ATOM 0 HD11 ILE A 100 34.652 -3.138 -1.018 1.00 1.14 H new ATOM 0 HD12 ILE A 100 35.701 -3.044 -2.453 1.00 1.14 H new ATOM 0 HD13 ILE A 100 34.352 -4.205 -2.411 1.00 1.14 H new ATOM 1592 N ASN A 101 37.069 -7.033 -5.031 1.00 55.15 N ATOM 1593 CA ASN A 101 37.792 -7.967 -5.887 1.00 0.41 C ATOM 1594 C ASN A 101 39.201 -8.211 -5.356 1.00 22.03 C ATOM 1595 O ASN A 101 39.629 -9.356 -5.204 1.00 53.41 O ATOM 1596 CB ASN A 101 37.860 -7.431 -7.319 1.00 23.15 C ATOM 1597 CG ASN A 101 38.587 -8.377 -8.256 1.00 14.35 C ATOM 1598 OD1 ASN A 101 38.814 -9.541 -7.927 1.00 32.22 O ATOM 1599 ND2 ASN A 101 38.955 -7.879 -9.430 1.00 50.51 N ATOM 0 H ASN A 101 37.097 -6.063 -5.346 1.00 55.15 H new ATOM 0 HA ASN A 101 37.253 -8.914 -5.886 1.00 0.41 H new ATOM 0 HB2 ASN A 101 36.849 -7.263 -7.690 1.00 23.15 H new ATOM 0 HB3 ASN A 101 38.365 -6.465 -7.319 1.00 23.15 H new ATOM 0 HD21 ASN A 101 39.447 -8.468 -10.102 1.00 50.51 H new ATOM 0 HD22 ASN A 101 38.746 -6.908 -9.660 1.00 50.51 H new ATOM 1606 N ASP A 102 39.917 -7.128 -5.074 1.00 64.24 N ATOM 1607 CA ASP A 102 41.278 -7.224 -4.558 1.00 71.13 C ATOM 1608 C ASP A 102 41.321 -8.080 -3.296 1.00 43.02 C ATOM 1609 O ASP A 102 42.334 -8.710 -2.997 1.00 22.54 O ATOM 1610 CB ASP A 102 41.834 -5.830 -4.263 1.00 71.14 C ATOM 1611 CG ASP A 102 43.317 -5.724 -4.560 1.00 53.53 C ATOM 1612 OD1 ASP A 102 43.991 -6.774 -4.598 1.00 52.21 O ATOM 1613 OD2 ASP A 102 43.803 -4.590 -4.754 1.00 44.40 O ATOM 0 H ASP A 102 39.578 -6.174 -5.194 1.00 64.24 H new ATOM 0 HA ASP A 102 41.896 -7.699 -5.319 1.00 71.13 H new ATOM 0 HB2 ASP A 102 41.294 -5.093 -4.857 1.00 71.14 H new ATOM 0 HB3 ASP A 102 41.658 -5.586 -3.215 1.00 71.14 H new ATOM 1618 N ASN A 103 40.215 -8.096 -2.560 1.00 10.33 N ATOM 1619 CA ASN A 103 40.127 -8.873 -1.329 1.00 3.34 C ATOM 1620 C ASN A 103 38.962 -9.856 -1.388 1.00 25.21 C ATOM 1621 O ASN A 103 39.111 -11.030 -1.048 1.00 14.30 O ATOM 1622 CB ASN A 103 39.964 -7.943 -0.125 1.00 14.23 C ATOM 1623 CG ASN A 103 40.632 -8.489 1.122 1.00 12.45 C ATOM 1624 OD1 ASN A 103 40.437 -9.648 1.488 1.00 52.11 O ATOM 1625 ND2 ASN A 103 41.425 -7.653 1.783 1.00 51.34 N ATOM 0 H ASN A 103 39.367 -7.580 -2.794 1.00 10.33 H new ATOM 0 HA ASN A 103 41.052 -9.440 -1.220 1.00 3.34 H new ATOM 0 HB2 ASN A 103 40.388 -6.967 -0.363 1.00 14.23 H new ATOM 0 HB3 ASN A 103 38.903 -7.790 0.072 1.00 14.23 H new ATOM 0 HD21 ASN A 103 41.901 -7.964 2.630 1.00 51.34 H new ATOM 0 HD22 ASN A 103 41.558 -6.700 1.444 1.00 51.34 H new TER 1632 ASN A 103