USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 359 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 Single : A 1 ALA N :NH3+ -117:sc= 0.104 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 178:sc= -5.7! USER MOD Single : A 16 ASN : amide:sc= -0.784 K(o=-0.78,f=-7.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -5.42! C(o=-5.4!,f=-5.2!) USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 1.01 (180deg=0.173) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.372 F(o=-3.5,f=-0.37) USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= -4.73! (180deg=-7.73!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.23 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 100:sc= 0.401! USER MOD Single : A 53 ASN : amide:sc= -0.695 K(o=-0.69,f=-4.8) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.047 -14.455 -3.922 1.00 0.00 N ATOM 2 CA ALA A 1 3.281 -13.862 -2.795 1.00 0.00 C ATOM 3 C ALA A 1 1.847 -13.546 -3.213 1.00 0.00 C ATOM 4 O ALA A 1 1.505 -13.624 -4.394 1.00 0.00 O ATOM 5 CB ALA A 1 3.972 -12.598 -2.292 1.00 0.00 C ATOM 0 H1 ALA A 1 4.336 -15.423 -3.674 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.450 -14.480 -4.773 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.892 -13.878 -4.109 1.00 0.00 H new ATOM 0 HA ALA A 1 3.248 -14.593 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.400 -12.174 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.977 -12.845 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.034 -11.871 -3.101 1.00 0.00 H new ATOM 13 N PRO A 2 0.990 -13.185 -2.244 1.00 0.00 N ATOM 14 CA PRO A 2 -0.412 -12.845 -2.509 1.00 0.00 C ATOM 15 C PRO A 2 -0.528 -11.505 -3.218 1.00 0.00 C ATOM 16 O PRO A 2 0.444 -10.763 -3.323 1.00 0.00 O ATOM 17 CB PRO A 2 -1.019 -12.836 -1.100 1.00 0.00 C ATOM 18 CG PRO A 2 0.102 -12.433 -0.210 1.00 0.00 C ATOM 19 CD PRO A 2 1.330 -13.060 -0.808 1.00 0.00 C ATOM 0 HA PRO A 2 -0.923 -13.538 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.851 -12.135 -1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.407 -13.818 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.197 -11.348 -0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.061 -12.782 0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.212 -12.438 -0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.544 -14.030 -0.360 1.00 0.00 H new ATOM 24 N TRP A 3 -1.716 -11.206 -3.709 1.00 0.00 N ATOM 25 CA TRP A 3 -1.951 -9.966 -4.435 1.00 0.00 C ATOM 26 C TRP A 3 -3.287 -9.355 -4.050 1.00 0.00 C ATOM 27 O TRP A 3 -4.160 -10.009 -3.480 1.00 0.00 O ATOM 28 CB TRP A 3 -1.893 -10.234 -5.935 1.00 0.00 C ATOM 29 CG TRP A 3 -3.046 -11.030 -6.419 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.165 -12.384 -6.526 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.255 -10.478 -6.861 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.408 -12.698 -7.025 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.098 -11.527 -7.243 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.688 -9.177 -6.965 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.380 -11.293 -7.737 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -5.933 -8.933 -7.445 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.781 -9.982 -7.835 1.00 0.00 C ATOM 0 H TRP A 3 -2.537 -11.805 -3.619 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.172 -9.251 -4.170 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.863 -9.284 -6.469 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.968 -10.761 -6.170 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.401 -13.100 -6.260 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.759 -13.639 -7.203 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.046 -8.361 -6.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.029 -12.105 -8.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.278 -7.913 -7.529 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.765 -9.755 -8.218 1.00 0.00 H new ATOM 47 N ALA A 4 -3.418 -8.076 -4.383 1.00 0.00 N ATOM 48 CA ALA A 4 -4.627 -7.355 -4.044 1.00 0.00 C ATOM 49 C ALA A 4 -5.007 -6.301 -5.064 1.00 0.00 C ATOM 50 O ALA A 4 -4.205 -5.899 -5.907 1.00 0.00 O ATOM 51 CB ALA A 4 -4.468 -6.691 -2.684 1.00 0.00 C ATOM 0 H ALA A 4 -2.713 -7.530 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.429 -8.093 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.381 -6.150 -2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.279 -7.452 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.630 -5.994 -2.715 1.00 0.00 H new ATOM 57 N THR A 5 -6.244 -5.865 -4.967 1.00 0.00 N ATOM 58 CA THR A 5 -6.769 -4.821 -5.818 1.00 0.00 C ATOM 59 C THR A 5 -7.073 -3.602 -4.980 1.00 0.00 C ATOM 60 O THR A 5 -7.357 -3.712 -3.788 1.00 0.00 O ATOM 61 CB THR A 5 -8.055 -5.245 -6.548 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.982 -6.629 -6.911 1.00 0.00 O ATOM 63 CG2 THR A 5 -8.261 -4.400 -7.793 1.00 0.00 C ATOM 0 H THR A 5 -6.917 -6.227 -4.292 1.00 0.00 H new ATOM 0 HA THR A 5 -6.010 -4.607 -6.571 1.00 0.00 H new ATOM 0 HB THR A 5 -8.899 -5.094 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.806 -6.890 -7.374 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.175 -4.713 -8.298 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.343 -3.350 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.413 -4.530 -8.465 1.00 0.00 H new ATOM 71 N ALA A 6 -7.015 -2.437 -5.599 1.00 0.00 N ATOM 72 CA ALA A 6 -7.265 -1.206 -4.889 1.00 0.00 C ATOM 73 C ALA A 6 -8.752 -0.919 -4.816 1.00 0.00 C ATOM 74 O ALA A 6 -9.507 -1.197 -5.747 1.00 0.00 O ATOM 75 CB ALA A 6 -6.514 -0.053 -5.531 1.00 0.00 C ATOM 0 H ALA A 6 -6.797 -2.322 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.897 -1.318 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.717 0.865 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.444 -0.260 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.841 0.064 -6.564 1.00 0.00 H new ATOM 81 N GLU A 7 -9.155 -0.353 -3.689 1.00 0.00 N ATOM 82 CA GLU A 7 -10.538 -0.004 -3.446 1.00 0.00 C ATOM 83 C GLU A 7 -10.729 1.509 -3.356 1.00 0.00 C ATOM 84 O GLU A 7 -11.841 2.020 -3.490 1.00 0.00 O ATOM 85 CB GLU A 7 -11.025 -0.661 -2.156 1.00 0.00 C ATOM 86 CG GLU A 7 -10.803 -2.165 -2.128 1.00 0.00 C ATOM 87 CD GLU A 7 -12.091 -2.948 -2.290 1.00 0.00 C ATOM 88 OE1 GLU A 7 -12.794 -3.151 -1.277 1.00 0.00 O ATOM 89 OE2 GLU A 7 -12.397 -3.359 -3.430 1.00 0.00 O ATOM 0 H GLU A 7 -8.528 -0.124 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.125 -0.370 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.510 -0.209 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.088 -0.455 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.112 -2.441 -2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.330 -2.441 -1.185 1.00 0.00 H new ATOM 94 N TYR A 8 -9.615 2.220 -3.126 1.00 0.00 N ATOM 95 CA TYR A 8 -9.609 3.676 -3.065 1.00 0.00 C ATOM 96 C TYR A 8 -8.375 4.179 -3.802 1.00 0.00 C ATOM 97 O TYR A 8 -7.781 3.436 -4.579 1.00 0.00 O ATOM 98 CB TYR A 8 -9.548 4.117 -1.609 1.00 0.00 C ATOM 99 CG TYR A 8 -10.591 3.460 -0.741 1.00 0.00 C ATOM 100 CD1 TYR A 8 -10.422 2.160 -0.284 1.00 0.00 C ATOM 101 CD2 TYR A 8 -11.745 4.138 -0.381 1.00 0.00 C ATOM 102 CE1 TYR A 8 -11.376 1.554 0.508 1.00 0.00 C ATOM 103 CE2 TYR A 8 -12.704 3.542 0.410 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.516 2.249 0.853 1.00 0.00 C ATOM 105 OH TYR A 8 -13.472 1.650 1.642 1.00 0.00 O ATOM 0 H TYR A 8 -8.699 1.796 -2.978 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.511 4.080 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.559 3.892 -1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.673 5.199 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.530 1.614 -0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.895 5.150 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.231 0.542 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.598 4.084 0.681 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.211 2.276 1.793 1.00 0.00 H new ATOM 114 N ASP A 9 -8.007 5.439 -3.609 1.00 0.00 N ATOM 115 CA ASP A 9 -6.809 6.067 -4.156 1.00 0.00 C ATOM 116 C ASP A 9 -5.894 6.292 -2.962 1.00 0.00 C ATOM 117 O ASP A 9 -6.369 6.671 -1.891 1.00 0.00 O ATOM 118 CB ASP A 9 -7.194 7.393 -4.819 1.00 0.00 C ATOM 119 CG ASP A 9 -8.470 7.288 -5.630 1.00 0.00 C ATOM 120 OD1 ASP A 9 -8.940 6.153 -5.857 1.00 0.00 O ATOM 121 OD2 ASP A 9 -8.999 8.343 -6.042 1.00 0.00 O ATOM 0 H ASP A 9 -8.560 6.081 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.318 5.458 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.317 8.157 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.381 7.721 -5.467 1.00 0.00 H new ATOM 125 N TYR A 10 -4.596 6.073 -3.111 1.00 0.00 N ATOM 126 CA TYR A 10 -3.710 6.175 -1.970 1.00 0.00 C ATOM 127 C TYR A 10 -2.472 7.002 -2.264 1.00 0.00 C ATOM 128 O TYR A 10 -1.761 6.757 -3.240 1.00 0.00 O ATOM 129 CB TYR A 10 -3.313 4.761 -1.496 1.00 0.00 C ATOM 130 CG TYR A 10 -4.239 3.637 -1.956 1.00 0.00 C ATOM 131 CD1 TYR A 10 -4.632 3.459 -3.289 1.00 0.00 C ATOM 132 CD2 TYR A 10 -4.763 2.781 -1.035 1.00 0.00 C ATOM 133 CE1 TYR A 10 -5.515 2.474 -3.655 1.00 0.00 C ATOM 134 CE2 TYR A 10 -5.634 1.792 -1.408 1.00 0.00 C ATOM 135 CZ TYR A 10 -6.008 1.641 -2.699 1.00 0.00 C ATOM 136 OH TYR A 10 -6.887 0.647 -3.016 1.00 0.00 O ATOM 0 H TYR A 10 -4.144 5.829 -3.992 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.251 6.693 -1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.304 4.547 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.277 4.757 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.230 4.114 -4.048 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.488 2.884 0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.814 2.362 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.029 1.122 -0.659 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.104 0.133 -2.210 1.00 0.00 H new ATOM 145 N ASP A 11 -2.220 7.986 -1.411 1.00 0.00 N ATOM 146 CA ASP A 11 -1.034 8.811 -1.581 1.00 0.00 C ATOM 147 C ASP A 11 -0.046 8.607 -0.423 1.00 0.00 C ATOM 148 O ASP A 11 0.243 9.546 0.317 1.00 0.00 O ATOM 149 CB ASP A 11 -1.465 10.277 -1.642 1.00 0.00 C ATOM 150 CG ASP A 11 -0.289 11.236 -1.671 1.00 0.00 C ATOM 151 OD1 ASP A 11 0.738 10.900 -2.298 1.00 0.00 O ATOM 152 OD2 ASP A 11 -0.395 12.324 -1.066 1.00 0.00 O ATOM 0 H ASP A 11 -2.806 8.228 -0.612 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.530 8.524 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.078 10.434 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.091 10.503 -0.779 1.00 0.00 H new ATOM 156 N ALA A 12 0.463 7.364 -0.297 1.00 0.00 N ATOM 157 CA ALA A 12 1.462 6.965 0.724 1.00 0.00 C ATOM 158 C ALA A 12 1.633 7.996 1.848 1.00 0.00 C ATOM 159 O ALA A 12 2.444 8.915 1.737 1.00 0.00 O ATOM 160 CB ALA A 12 2.783 6.716 0.018 1.00 0.00 C ATOM 0 H ALA A 12 0.189 6.596 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 12 1.103 6.060 1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.536 6.421 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.659 5.921 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.104 7.628 -0.485 1.00 0.00 H new ATOM 166 N ALA A 13 0.869 7.837 2.918 1.00 0.00 N ATOM 167 CA ALA A 13 0.913 8.771 4.047 1.00 0.00 C ATOM 168 C ALA A 13 2.294 8.932 4.747 1.00 0.00 C ATOM 169 O ALA A 13 2.575 10.023 5.242 1.00 0.00 O ATOM 170 CB ALA A 13 -0.137 8.386 5.065 1.00 0.00 C ATOM 0 H ALA A 13 0.207 7.070 3.034 1.00 0.00 H new ATOM 0 HA ALA A 13 0.711 9.749 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.103 9.081 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.123 8.423 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.057 7.375 5.424 1.00 0.00 H new ATOM 176 N GLU A 14 3.157 7.915 4.811 1.00 0.00 N ATOM 177 CA GLU A 14 4.440 8.083 5.556 1.00 0.00 C ATOM 178 C GLU A 14 5.759 8.078 4.754 1.00 0.00 C ATOM 179 O GLU A 14 6.821 8.151 5.371 1.00 0.00 O ATOM 180 CB GLU A 14 4.587 6.993 6.619 1.00 0.00 C ATOM 181 CG GLU A 14 3.975 7.371 7.959 1.00 0.00 C ATOM 182 CD GLU A 14 4.589 8.627 8.544 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.610 9.098 7.999 1.00 0.00 O ATOM 184 OE2 GLU A 14 4.050 9.140 9.546 1.00 0.00 O ATOM 0 H GLU A 14 3.016 7.000 4.383 1.00 0.00 H new ATOM 0 HA GLU A 14 4.329 9.093 5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.117 6.078 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.645 6.774 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.902 7.518 7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.105 6.546 8.660 1.00 0.00 H new ATOM 189 N ASP A 15 5.708 7.972 3.433 1.00 0.00 N ATOM 190 CA ASP A 15 6.911 7.985 2.566 1.00 0.00 C ATOM 191 C ASP A 15 7.204 6.564 2.117 1.00 0.00 C ATOM 192 O ASP A 15 7.223 6.310 0.909 1.00 0.00 O ATOM 193 CB ASP A 15 8.135 8.657 3.207 1.00 0.00 C ATOM 194 CG ASP A 15 9.049 9.297 2.179 1.00 0.00 C ATOM 195 OD1 ASP A 15 8.687 9.304 0.984 1.00 0.00 O ATOM 196 OD2 ASP A 15 10.128 9.790 2.569 1.00 0.00 O ATOM 0 H ASP A 15 4.834 7.874 2.916 1.00 0.00 H new ATOM 0 HA ASP A 15 6.692 8.608 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.800 9.416 3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.696 7.916 3.777 1.00 0.00 H new ATOM 200 N ASN A 16 7.435 5.616 3.048 1.00 0.00 N ATOM 201 CA ASN A 16 7.673 4.277 2.526 1.00 0.00 C ATOM 202 C ASN A 16 6.380 3.489 2.588 1.00 0.00 C ATOM 203 O ASN A 16 6.287 2.433 3.218 1.00 0.00 O ATOM 204 CB ASN A 16 8.608 3.640 3.572 1.00 0.00 C ATOM 205 CG ASN A 16 7.990 3.525 4.956 1.00 0.00 C ATOM 206 OD1 ASN A 16 7.260 4.411 5.401 1.00 0.00 O ATOM 207 ND2 ASN A 16 8.284 2.425 5.636 1.00 0.00 N ATOM 0 H ASN A 16 7.460 5.738 4.060 1.00 0.00 H new ATOM 0 HA ASN A 16 8.060 4.290 1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.898 2.647 3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.520 4.233 3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.900 2.285 6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.894 1.719 5.224 1.00 0.00 H new ATOM 213 N GLU A 17 5.394 4.010 1.917 1.00 0.00 N ATOM 214 CA GLU A 17 4.183 3.342 1.584 1.00 0.00 C ATOM 215 C GLU A 17 4.190 3.246 0.076 1.00 0.00 C ATOM 216 O GLU A 17 5.039 3.865 -0.568 1.00 0.00 O ATOM 217 CB GLU A 17 2.989 4.103 2.128 1.00 0.00 C ATOM 218 CG GLU A 17 2.956 4.046 3.643 1.00 0.00 C ATOM 219 CD GLU A 17 4.091 4.818 4.260 1.00 0.00 C ATOM 220 OE1 GLU A 17 4.351 5.942 3.801 1.00 0.00 O ATOM 221 OE2 GLU A 17 4.725 4.295 5.200 1.00 0.00 O ATOM 0 H GLU A 17 5.422 4.969 1.570 1.00 0.00 H new ATOM 0 HA GLU A 17 4.108 2.349 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.034 5.141 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.069 3.681 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.008 4.447 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.005 3.007 3.968 1.00 0.00 H new ATOM 226 N LEU A 18 3.297 2.510 -0.507 1.00 0.00 N ATOM 227 CA LEU A 18 3.216 2.485 -1.948 1.00 0.00 C ATOM 228 C LEU A 18 2.175 3.527 -2.292 1.00 0.00 C ATOM 229 O LEU A 18 1.476 4.036 -1.415 1.00 0.00 O ATOM 230 CB LEU A 18 2.789 1.102 -2.423 1.00 0.00 C ATOM 231 CG LEU A 18 2.601 0.942 -3.928 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.832 1.409 -4.688 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.299 -0.507 -4.244 1.00 0.00 C ATOM 0 H LEU A 18 2.618 1.923 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 18 4.171 2.696 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.534 0.379 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.852 0.843 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 18 1.764 1.564 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.668 1.283 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.016 2.461 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.695 0.818 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.164 -0.624 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.128 -1.132 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.387 -0.809 -3.729 1.00 0.00 H new ATOM 244 N THR A 19 2.070 3.846 -3.570 1.00 0.00 N ATOM 245 CA THR A 19 1.121 4.842 -4.002 1.00 0.00 C ATOM 246 C THR A 19 0.368 4.301 -5.177 1.00 0.00 C ATOM 247 O THR A 19 0.958 3.907 -6.183 1.00 0.00 O ATOM 248 CB THR A 19 1.815 6.162 -4.363 1.00 0.00 C ATOM 249 OG1 THR A 19 3.203 5.933 -4.634 1.00 0.00 O ATOM 250 CG2 THR A 19 1.669 7.149 -3.224 1.00 0.00 C ATOM 0 H THR A 19 2.627 3.431 -4.317 1.00 0.00 H new ATOM 0 HA THR A 19 0.433 5.059 -3.185 1.00 0.00 H new ATOM 0 HB THR A 19 1.345 6.574 -5.256 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.636 6.782 -4.865 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.164 8.084 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.611 7.338 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.126 6.737 -2.325 1.00 0.00 H new ATOM 258 N PHE A 20 -0.934 4.279 -5.054 1.00 0.00 N ATOM 259 CA PHE A 20 -1.724 3.660 -6.084 1.00 0.00 C ATOM 260 C PHE A 20 -3.105 4.290 -6.207 1.00 0.00 C ATOM 261 O PHE A 20 -3.427 5.271 -5.539 1.00 0.00 O ATOM 262 CB PHE A 20 -1.782 2.140 -5.800 1.00 0.00 C ATOM 263 CG PHE A 20 -1.863 1.792 -4.333 1.00 0.00 C ATOM 264 CD1 PHE A 20 -0.851 2.092 -3.425 1.00 0.00 C ATOM 265 CD2 PHE A 20 -2.989 1.186 -3.866 1.00 0.00 C ATOM 266 CE1 PHE A 20 -0.990 1.795 -2.081 1.00 0.00 C ATOM 267 CE2 PHE A 20 -3.131 0.873 -2.536 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.137 1.177 -1.636 1.00 0.00 C ATOM 0 H PHE A 20 -1.458 4.672 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.256 3.824 -7.055 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.647 1.718 -6.311 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.898 1.667 -6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.056 2.563 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.786 0.947 -4.554 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.203 2.046 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.031 0.384 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.255 0.933 -0.590 1.00 0.00 H new ATOM 277 N VAL A 21 -3.869 3.758 -7.146 1.00 0.00 N ATOM 278 CA VAL A 21 -5.226 4.224 -7.395 1.00 0.00 C ATOM 279 C VAL A 21 -6.151 3.060 -7.637 1.00 0.00 C ATOM 280 O VAL A 21 -5.749 2.073 -8.236 1.00 0.00 O ATOM 281 CB VAL A 21 -5.268 5.185 -8.584 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.629 6.496 -8.179 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.582 4.579 -9.798 1.00 0.00 C ATOM 0 H VAL A 21 -3.570 2.996 -7.755 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.562 4.761 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.304 5.370 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.654 7.188 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.178 6.924 -7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.594 6.321 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.626 5.282 -10.630 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.540 4.365 -9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.087 3.655 -10.078 1.00 0.00 H new ATOM 293 N GLU A 22 -7.380 3.158 -7.141 1.00 0.00 N ATOM 294 CA GLU A 22 -8.378 2.105 -7.281 1.00 0.00 C ATOM 295 C GLU A 22 -8.228 1.292 -8.565 1.00 0.00 C ATOM 296 O GLU A 22 -7.714 1.765 -9.580 1.00 0.00 O ATOM 297 CB GLU A 22 -9.791 2.691 -7.206 1.00 0.00 C ATOM 298 CG GLU A 22 -10.237 3.420 -8.467 1.00 0.00 C ATOM 299 CD GLU A 22 -9.915 4.900 -8.429 1.00 0.00 C ATOM 300 OE1 GLU A 22 -8.715 5.246 -8.406 1.00 0.00 O ATOM 301 OE2 GLU A 22 -10.862 5.714 -8.421 1.00 0.00 O ATOM 0 H GLU A 22 -7.713 3.974 -6.628 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.211 1.420 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.495 1.885 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.841 3.382 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.753 2.969 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.311 3.289 -8.597 1.00 0.00 H new ATOM 306 N ASN A 23 -8.720 0.066 -8.490 1.00 0.00 N ATOM 307 CA ASN A 23 -8.638 -0.852 -9.631 1.00 0.00 C ATOM 308 C ASN A 23 -7.180 -1.181 -9.997 1.00 0.00 C ATOM 309 O ASN A 23 -6.937 -1.915 -10.955 1.00 0.00 O ATOM 310 CB ASN A 23 -9.353 -0.304 -10.879 1.00 0.00 C ATOM 311 CG ASN A 23 -10.191 0.929 -10.632 1.00 0.00 C ATOM 312 OD1 ASN A 23 -9.999 1.971 -11.261 1.00 0.00 O ATOM 313 ND2 ASN A 23 -11.122 0.808 -9.715 1.00 0.00 N ATOM 0 H ASN A 23 -9.177 -0.320 -7.664 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.144 -1.762 -9.310 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.606 -0.073 -11.638 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.992 -1.086 -11.288 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.727 1.599 -9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.240 -0.077 -9.222 1.00 0.00 H new ATOM 319 N ASP A 24 -6.210 -0.648 -9.244 1.00 0.00 N ATOM 320 CA ASP A 24 -4.807 -0.914 -9.522 1.00 0.00 C ATOM 321 C ASP A 24 -4.425 -2.224 -8.884 1.00 0.00 C ATOM 322 O ASP A 24 -4.953 -2.624 -7.846 1.00 0.00 O ATOM 323 CB ASP A 24 -3.907 0.193 -8.986 1.00 0.00 C ATOM 324 CG ASP A 24 -3.841 1.387 -9.920 1.00 0.00 C ATOM 325 OD1 ASP A 24 -4.515 1.356 -10.972 1.00 0.00 O ATOM 326 OD2 ASP A 24 -3.118 2.352 -9.599 1.00 0.00 O ATOM 0 H ASP A 24 -6.376 -0.036 -8.445 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.672 -0.958 -10.603 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.274 0.517 -8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.902 -0.201 -8.833 1.00 0.00 H new ATOM 330 N LYS A 25 -3.495 -2.879 -9.538 1.00 0.00 N ATOM 331 CA LYS A 25 -3.031 -4.155 -9.070 1.00 0.00 C ATOM 332 C LYS A 25 -1.846 -4.054 -8.137 1.00 0.00 C ATOM 333 O LYS A 25 -0.829 -3.435 -8.452 1.00 0.00 O ATOM 334 CB LYS A 25 -2.686 -5.008 -10.273 1.00 0.00 C ATOM 335 CG LYS A 25 -3.482 -6.275 -10.340 1.00 0.00 C ATOM 336 CD LYS A 25 -3.332 -7.107 -9.093 1.00 0.00 C ATOM 337 CE LYS A 25 -3.288 -8.567 -9.456 1.00 0.00 C ATOM 338 NZ LYS A 25 -4.616 -9.084 -9.882 1.00 0.00 N ATOM 0 H LYS A 25 -3.048 -2.547 -10.393 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.831 -4.610 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.856 -4.430 -11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.624 -5.253 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.534 -6.034 -10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.163 -6.858 -11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.420 -6.827 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.164 -6.916 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.567 -8.717 -10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.935 -9.141 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.486 -9.832 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.118 -9.473 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.174 -8.309 -10.294 1.00 0.00 H new ATOM 348 N ILE A 26 -1.996 -4.676 -6.983 1.00 0.00 N ATOM 349 CA ILE A 26 -0.944 -4.723 -5.999 1.00 0.00 C ATOM 350 C ILE A 26 -0.558 -6.184 -5.874 1.00 0.00 C ATOM 351 O ILE A 26 -1.373 -7.026 -5.504 1.00 0.00 O ATOM 352 CB ILE A 26 -1.387 -4.205 -4.614 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.963 -2.791 -4.733 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.219 -4.219 -3.643 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.958 -2.449 -3.643 1.00 0.00 C ATOM 0 H ILE A 26 -2.850 -5.160 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.123 -4.082 -6.319 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.164 -4.866 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.145 -2.071 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.449 -2.686 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.549 -3.851 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.154 -5.238 -3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.577 -3.579 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.324 -1.433 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.795 -3.146 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.471 -2.522 -2.670 1.00 0.00 H new ATOM 366 N ILE A 27 0.671 -6.474 -6.185 1.00 0.00 N ATOM 367 CA ILE A 27 1.102 -7.854 -6.161 1.00 0.00 C ATOM 368 C ILE A 27 2.334 -8.036 -5.299 1.00 0.00 C ATOM 369 O ILE A 27 2.937 -7.075 -4.829 1.00 0.00 O ATOM 370 CB ILE A 27 1.263 -8.397 -7.598 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.297 -7.603 -8.391 1.00 0.00 C ATOM 372 CG2 ILE A 27 -0.089 -8.373 -8.321 1.00 0.00 C ATOM 373 CD1 ILE A 27 2.878 -8.381 -9.545 1.00 0.00 C ATOM 0 H ILE A 27 1.384 -5.796 -6.454 1.00 0.00 H new ATOM 0 HA ILE A 27 0.327 -8.458 -5.688 1.00 0.00 H new ATOM 0 HB ILE A 27 1.620 -9.424 -7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.835 -6.692 -8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.103 -7.298 -7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.033 -8.757 -9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.802 -8.995 -7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.461 -7.349 -8.364 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.607 -7.763 -10.070 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.368 -9.279 -9.168 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.080 -8.664 -10.232 1.00 0.00 H new ATOM 384 N ASN A 28 2.689 -9.290 -5.097 1.00 0.00 N ATOM 385 CA ASN A 28 3.793 -9.649 -4.238 1.00 0.00 C ATOM 386 C ASN A 28 3.528 -9.106 -2.841 1.00 0.00 C ATOM 387 O ASN A 28 4.403 -8.528 -2.198 1.00 0.00 O ATOM 388 CB ASN A 28 5.135 -9.139 -4.765 1.00 0.00 C ATOM 389 CG ASN A 28 5.495 -9.716 -6.118 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.700 -9.386 -7.125 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.476 -10.446 -6.256 1.00 0.00 N flip ATOM 0 H ASN A 28 2.218 -10.087 -5.526 1.00 0.00 H new ATOM 0 HA ASN A 28 3.864 -10.736 -4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.102 -8.052 -4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.919 -9.388 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.060 -10.673 -5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.705 -10.824 -7.175 1.00 0.00 H new ATOM 397 N ILE A 29 2.289 -9.312 -2.390 1.00 0.00 N ATOM 398 CA ILE A 29 1.833 -8.788 -1.109 1.00 0.00 C ATOM 399 C ILE A 29 2.446 -9.509 0.077 1.00 0.00 C ATOM 400 O ILE A 29 1.736 -10.187 0.820 1.00 0.00 O ATOM 401 CB ILE A 29 0.303 -8.802 -1.017 1.00 0.00 C ATOM 402 CG1 ILE A 29 -0.253 -7.848 -2.060 1.00 0.00 C ATOM 403 CG2 ILE A 29 -0.170 -8.407 0.384 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.739 -7.691 -1.982 1.00 0.00 C ATOM 0 H ILE A 29 1.582 -9.842 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 29 2.177 -7.755 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.061 -9.812 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.216 -6.872 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.016 -8.208 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.259 -8.426 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.229 -9.111 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.183 -7.403 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.073 -6.997 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.216 -8.659 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.013 -7.302 -1.001 1.00 0.00 H new ATOM 415 N GLU A 30 3.744 -9.400 0.264 1.00 0.00 N ATOM 416 CA GLU A 30 4.324 -10.053 1.429 1.00 0.00 C ATOM 417 C GLU A 30 3.744 -9.517 2.724 1.00 0.00 C ATOM 418 O GLU A 30 3.125 -8.462 2.751 1.00 0.00 O ATOM 419 CB GLU A 30 5.852 -10.006 1.410 1.00 0.00 C ATOM 420 CG GLU A 30 6.447 -10.456 0.089 1.00 0.00 C ATOM 421 CD GLU A 30 7.386 -11.638 0.240 1.00 0.00 C ATOM 422 OE1 GLU A 30 7.333 -12.307 1.294 1.00 0.00 O ATOM 423 OE2 GLU A 30 8.171 -11.895 -0.697 1.00 0.00 O ATOM 0 H GLU A 30 4.394 -8.894 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 30 4.047 -11.106 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.180 -8.988 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.239 -10.638 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.641 -10.723 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.987 -9.624 -0.363 1.00 0.00 H new ATOM 428 N PHE A 31 3.988 -10.251 3.801 1.00 0.00 N ATOM 429 CA PHE A 31 3.454 -9.834 5.091 1.00 0.00 C ATOM 430 C PHE A 31 4.513 -9.243 6.002 1.00 0.00 C ATOM 431 O PHE A 31 4.865 -9.813 7.035 1.00 0.00 O ATOM 432 CB PHE A 31 2.735 -11.003 5.759 1.00 0.00 C ATOM 433 CG PHE A 31 1.548 -11.482 4.967 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.710 -10.574 4.331 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.274 -12.835 4.845 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.375 -11.009 3.593 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.188 -13.275 4.109 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.636 -12.360 3.483 1.00 0.00 C ATOM 0 H PHE A 31 4.535 -11.112 3.811 1.00 0.00 H new ATOM 0 HA PHE A 31 2.737 -9.034 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.435 -11.828 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.406 -10.702 6.753 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.909 -9.516 4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.916 -13.555 5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.018 -10.293 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.015 -14.332 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.484 -12.701 2.908 1.00 0.00 H new ATOM 447 N VAL A 32 5.010 -8.090 5.594 1.00 0.00 N ATOM 448 CA VAL A 32 6.000 -7.352 6.356 1.00 0.00 C ATOM 449 C VAL A 32 5.404 -6.914 7.698 1.00 0.00 C ATOM 450 O VAL A 32 6.084 -6.970 8.722 1.00 0.00 O ATOM 451 CB VAL A 32 6.451 -6.108 5.553 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.297 -6.525 4.362 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.241 -5.301 5.095 1.00 0.00 C ATOM 0 H VAL A 32 4.737 -7.637 4.722 1.00 0.00 H new ATOM 0 HA VAL A 32 6.861 -7.994 6.542 1.00 0.00 H new ATOM 0 HB VAL A 32 7.058 -5.477 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.606 -5.639 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.179 -7.060 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.713 -7.175 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.576 -4.430 4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.609 -5.922 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.672 -4.973 5.965 1.00 0.00 H new ATOM 463 N ASP A 33 4.149 -6.481 7.706 1.00 0.00 N ATOM 464 CA ASP A 33 3.476 -6.102 8.948 1.00 0.00 C ATOM 465 C ASP A 33 2.054 -6.667 8.955 1.00 0.00 C ATOM 466 O ASP A 33 1.497 -6.956 7.904 1.00 0.00 O ATOM 467 CB ASP A 33 3.468 -4.579 9.127 1.00 0.00 C ATOM 468 CG ASP A 33 2.476 -4.122 10.179 1.00 0.00 C ATOM 469 OD1 ASP A 33 2.491 -4.685 11.294 1.00 0.00 O ATOM 470 OD2 ASP A 33 1.683 -3.203 9.887 1.00 0.00 O ATOM 0 H ASP A 33 3.575 -6.383 6.869 1.00 0.00 H new ATOM 0 HA ASP A 33 4.025 -6.524 9.790 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.467 -4.244 9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.227 -4.106 8.175 1.00 0.00 H new ATOM 474 N ASP A 34 1.467 -6.818 10.139 1.00 0.00 N ATOM 475 CA ASP A 34 0.098 -7.318 10.235 1.00 0.00 C ATOM 476 C ASP A 34 -0.826 -6.382 9.464 1.00 0.00 C ATOM 477 O ASP A 34 -1.631 -6.801 8.633 1.00 0.00 O ATOM 478 CB ASP A 34 -0.339 -7.414 11.698 1.00 0.00 C ATOM 479 CG ASP A 34 0.419 -8.484 12.459 1.00 0.00 C ATOM 480 OD1 ASP A 34 0.523 -9.616 11.945 1.00 0.00 O ATOM 481 OD2 ASP A 34 0.909 -8.187 13.569 1.00 0.00 O ATOM 0 H ASP A 34 1.909 -6.605 11.033 1.00 0.00 H new ATOM 0 HA ASP A 34 0.047 -8.318 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.187 -6.450 12.184 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.407 -7.628 11.742 1.00 0.00 H new ATOM 485 N ASP A 35 -0.676 -5.101 9.776 1.00 0.00 N ATOM 486 CA ASP A 35 -1.524 -4.047 9.229 1.00 0.00 C ATOM 487 C ASP A 35 -1.057 -3.463 7.902 1.00 0.00 C ATOM 488 O ASP A 35 -1.882 -3.149 7.045 1.00 0.00 O ATOM 489 CB ASP A 35 -1.634 -2.913 10.250 1.00 0.00 C ATOM 490 CG ASP A 35 -2.944 -2.158 10.138 1.00 0.00 C ATOM 491 OD1 ASP A 35 -3.603 -2.265 9.082 1.00 0.00 O ATOM 492 OD2 ASP A 35 -3.310 -1.460 11.107 1.00 0.00 O ATOM 0 H ASP A 35 0.040 -4.761 10.418 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.485 -4.521 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.539 -3.323 11.256 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.805 -2.219 10.109 1.00 0.00 H new ATOM 496 N TRP A 36 0.247 -3.312 7.714 1.00 0.00 N ATOM 497 CA TRP A 36 0.735 -2.833 6.420 1.00 0.00 C ATOM 498 C TRP A 36 1.562 -3.916 5.735 1.00 0.00 C ATOM 499 O TRP A 36 2.660 -4.223 6.184 1.00 0.00 O ATOM 500 CB TRP A 36 1.559 -1.548 6.583 1.00 0.00 C ATOM 501 CG TRP A 36 0.706 -0.334 6.791 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.085 -0.098 7.866 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.533 0.790 5.909 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.729 1.102 7.730 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.375 1.664 6.535 1.00 0.00 C ATOM 506 CE3 TRP A 36 1.052 1.149 4.657 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.778 2.864 5.958 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.645 2.345 4.080 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.262 3.185 4.732 1.00 0.00 C ATOM 0 H TRP A 36 0.967 -3.505 8.411 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.127 -2.601 5.794 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.236 -1.661 7.430 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.178 -1.404 5.698 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.192 -0.763 8.710 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.370 1.511 8.410 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.756 0.506 4.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.474 3.520 6.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.035 2.630 3.114 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.562 4.108 4.258 1.00 0.00 H new ATOM 519 N TRP A 37 1.079 -4.493 4.631 1.00 0.00 N ATOM 520 CA TRP A 37 1.795 -5.528 3.896 1.00 0.00 C ATOM 521 C TRP A 37 2.612 -4.849 2.841 1.00 0.00 C ATOM 522 O TRP A 37 2.453 -3.652 2.610 1.00 0.00 O ATOM 523 CB TRP A 37 0.804 -6.515 3.255 1.00 0.00 C ATOM 524 CG TRP A 37 -0.234 -7.088 4.164 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.063 -7.539 5.434 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.612 -7.303 3.840 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.253 -8.017 5.928 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.218 -7.883 4.967 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.392 -7.056 2.708 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -3.567 -8.226 4.993 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.730 -7.395 2.735 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.306 -7.975 3.871 1.00 0.00 C ATOM 0 H TRP A 37 0.176 -4.251 4.224 1.00 0.00 H new ATOM 0 HA TRP A 37 2.437 -6.097 4.568 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.298 -6.008 2.433 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.372 -7.338 2.821 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.871 -7.524 5.976 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.394 -8.408 6.859 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.956 -6.608 1.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.013 -8.674 5.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.342 -7.210 1.865 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.356 -8.229 3.861 1.00 0.00 H new ATOM 542 N LEU A 38 3.479 -5.588 2.187 1.00 0.00 N ATOM 543 CA LEU A 38 4.314 -4.998 1.181 1.00 0.00 C ATOM 544 C LEU A 38 3.842 -5.374 -0.191 1.00 0.00 C ATOM 545 O LEU A 38 3.246 -6.409 -0.380 1.00 0.00 O ATOM 546 CB LEU A 38 5.782 -5.389 1.419 1.00 0.00 C ATOM 547 CG LEU A 38 6.392 -6.352 0.391 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.695 -5.587 -0.877 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.648 -7.012 0.943 1.00 0.00 C ATOM 0 H LEU A 38 3.619 -6.587 2.335 1.00 0.00 H new ATOM 0 HA LEU A 38 4.246 -3.912 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.382 -4.479 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.862 -5.843 2.407 1.00 0.00 H new ATOM 0 HG LEU A 38 5.679 -7.147 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.129 -6.262 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.774 -5.160 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.401 -4.786 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.061 -7.690 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.385 -6.246 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.398 -7.573 1.843 1.00 0.00 H new ATOM 560 N GLY A 39 4.146 -4.513 -1.138 1.00 0.00 N ATOM 561 CA GLY A 39 3.669 -4.806 -2.465 1.00 0.00 C ATOM 562 C GLY A 39 4.657 -4.722 -3.596 1.00 0.00 C ATOM 563 O GLY A 39 5.868 -4.575 -3.427 1.00 0.00 O ATOM 0 H GLY A 39 4.688 -3.656 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.253 -5.813 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.848 -4.123 -2.685 1.00 0.00 H new ATOM 567 N GLU A 40 4.048 -4.826 -4.762 1.00 0.00 N ATOM 568 CA GLU A 40 4.679 -4.734 -6.056 1.00 0.00 C ATOM 569 C GLU A 40 3.526 -4.488 -7.018 1.00 0.00 C ATOM 570 O GLU A 40 2.648 -5.324 -7.120 1.00 0.00 O ATOM 571 CB GLU A 40 5.447 -6.004 -6.407 1.00 0.00 C ATOM 572 CG GLU A 40 6.636 -5.740 -7.307 1.00 0.00 C ATOM 573 CD GLU A 40 7.797 -6.675 -7.031 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.622 -7.901 -7.190 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.881 -6.181 -6.656 1.00 0.00 O ATOM 0 H GLU A 40 3.043 -4.986 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 40 5.426 -3.941 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.791 -6.481 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.774 -6.706 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.329 -5.845 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.965 -4.709 -7.174 1.00 0.00 H new ATOM 580 N LEU A 41 3.494 -3.376 -7.712 1.00 0.00 N ATOM 581 CA LEU A 41 2.351 -3.143 -8.586 1.00 0.00 C ATOM 582 C LEU A 41 2.495 -3.881 -9.901 1.00 0.00 C ATOM 583 O LEU A 41 3.472 -3.724 -10.605 1.00 0.00 O ATOM 584 CB LEU A 41 2.082 -1.651 -8.787 1.00 0.00 C ATOM 585 CG LEU A 41 1.780 -0.881 -7.497 1.00 0.00 C ATOM 586 CD1 LEU A 41 1.892 0.618 -7.720 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.396 -1.243 -6.977 1.00 0.00 C ATOM 0 H LEU A 41 4.205 -2.645 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 41 1.473 -3.553 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.949 -1.200 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.240 -1.535 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 41 2.519 -1.166 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.673 1.142 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.903 0.863 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.180 0.926 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.195 -0.688 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.353 -0.988 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.353 -2.312 -6.771 1.00 0.00 H new ATOM 598 N GLU A 42 1.537 -4.740 -10.207 1.00 0.00 N ATOM 599 CA GLU A 42 1.588 -5.495 -11.446 1.00 0.00 C ATOM 600 C GLU A 42 1.656 -4.542 -12.645 1.00 0.00 C ATOM 601 O GLU A 42 2.317 -4.831 -13.643 1.00 0.00 O ATOM 602 CB GLU A 42 0.384 -6.467 -11.525 1.00 0.00 C ATOM 603 CG GLU A 42 -0.619 -6.217 -12.646 1.00 0.00 C ATOM 604 CD GLU A 42 -0.241 -6.919 -13.935 1.00 0.00 C ATOM 605 OE1 GLU A 42 0.531 -7.900 -13.873 1.00 0.00 O ATOM 606 OE2 GLU A 42 -0.720 -6.493 -15.007 1.00 0.00 O ATOM 0 H GLU A 42 0.724 -4.930 -9.622 1.00 0.00 H new ATOM 0 HA GLU A 42 2.493 -6.101 -11.470 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.770 -7.481 -11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.149 -6.428 -10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.605 -6.556 -12.328 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.694 -5.145 -12.829 1.00 0.00 H new ATOM 611 N LYS A 43 0.962 -3.406 -12.536 1.00 0.00 N ATOM 612 CA LYS A 43 0.922 -2.453 -13.646 1.00 0.00 C ATOM 613 C LYS A 43 2.263 -1.739 -13.888 1.00 0.00 C ATOM 614 O LYS A 43 2.660 -1.571 -15.041 1.00 0.00 O ATOM 615 CB LYS A 43 -0.218 -1.441 -13.477 1.00 0.00 C ATOM 616 CG LYS A 43 0.078 -0.340 -12.475 1.00 0.00 C ATOM 617 CD LYS A 43 -1.123 -0.036 -11.589 1.00 0.00 C ATOM 618 CE LYS A 43 -0.675 0.360 -10.199 1.00 0.00 C ATOM 619 NZ LYS A 43 0.478 1.300 -10.243 1.00 0.00 N ATOM 0 H LYS A 43 0.432 -3.128 -11.710 1.00 0.00 H new ATOM 0 HA LYS A 43 0.726 -3.047 -14.539 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.435 -0.989 -14.445 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.117 -1.971 -13.164 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.923 -0.634 -11.852 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.374 0.564 -13.007 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.712 0.768 -12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.770 -0.911 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.505 0.826 -9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.397 -0.532 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.401 1.980 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.365 0.765 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.474 1.812 -11.148 1.00 0.00 H new ATOM 629 N ASP A 44 2.966 -1.314 -12.838 1.00 0.00 N ATOM 630 CA ASP A 44 4.234 -0.583 -13.025 1.00 0.00 C ATOM 631 C ASP A 44 5.402 -1.198 -12.246 1.00 0.00 C ATOM 632 O ASP A 44 6.541 -0.743 -12.353 1.00 0.00 O ATOM 633 CB ASP A 44 4.050 0.874 -12.599 1.00 0.00 C ATOM 634 CG ASP A 44 4.936 1.822 -13.383 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.030 1.662 -14.618 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.535 2.726 -12.762 1.00 0.00 O ATOM 0 H ASP A 44 2.693 -1.456 -11.866 1.00 0.00 H new ATOM 0 HA ASP A 44 4.486 -0.648 -14.083 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.007 1.160 -12.734 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.271 0.970 -11.536 1.00 0.00 H new ATOM 640 N GLY A 45 5.110 -2.225 -11.474 1.00 0.00 N ATOM 641 CA GLY A 45 6.146 -2.872 -10.686 1.00 0.00 C ATOM 642 C GLY A 45 6.624 -2.034 -9.518 1.00 0.00 C ATOM 643 O GLY A 45 7.796 -2.103 -9.146 1.00 0.00 O ATOM 0 H GLY A 45 4.178 -2.627 -11.374 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.767 -3.822 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.994 -3.100 -11.331 1.00 0.00 H new ATOM 647 N SER A 46 5.735 -1.243 -8.931 1.00 0.00 N ATOM 648 CA SER A 46 6.121 -0.403 -7.805 1.00 0.00 C ATOM 649 C SER A 46 5.928 -1.169 -6.508 1.00 0.00 C ATOM 650 O SER A 46 4.916 -1.836 -6.322 1.00 0.00 O ATOM 651 CB SER A 46 5.282 0.876 -7.785 1.00 0.00 C ATOM 652 OG SER A 46 4.957 1.296 -9.098 1.00 0.00 O ATOM 0 H SER A 46 4.757 -1.165 -9.210 1.00 0.00 H new ATOM 0 HA SER A 46 7.171 -0.130 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.367 0.705 -7.218 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.831 1.666 -7.273 1.00 0.00 H new ATOM 0 HG SER A 46 4.419 2.114 -9.056 1.00 0.00 H new ATOM 657 N LYS A 47 6.878 -1.027 -5.588 1.00 0.00 N ATOM 658 CA LYS A 47 6.793 -1.720 -4.312 1.00 0.00 C ATOM 659 C LYS A 47 6.728 -0.737 -3.158 1.00 0.00 C ATOM 660 O LYS A 47 7.323 0.339 -3.202 1.00 0.00 O ATOM 661 CB LYS A 47 7.979 -2.661 -4.091 1.00 0.00 C ATOM 662 CG LYS A 47 8.401 -3.413 -5.342 1.00 0.00 C ATOM 663 CD LYS A 47 9.801 -3.017 -5.782 1.00 0.00 C ATOM 664 CE LYS A 47 9.931 -3.019 -7.297 1.00 0.00 C ATOM 665 NZ LYS A 47 11.230 -3.594 -7.741 1.00 0.00 N ATOM 0 H LYS A 47 7.707 -0.444 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 47 5.877 -2.310 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.826 -2.083 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.721 -3.381 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.368 -4.486 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.694 -3.210 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.038 -2.025 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.527 -3.707 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.112 -3.593 -7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.838 -1.999 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.280 -3.578 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.011 -3.031 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.308 -4.576 -7.406 1.00 0.00 H new ATOM 675 N GLY A 48 5.997 -1.123 -2.126 1.00 0.00 N ATOM 676 CA GLY A 48 5.849 -0.294 -0.953 1.00 0.00 C ATOM 677 C GLY A 48 4.744 -0.795 -0.055 1.00 0.00 C ATOM 678 O GLY A 48 3.843 -1.501 -0.510 1.00 0.00 O ATOM 0 H GLY A 48 5.496 -2.011 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.788 -0.275 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.636 0.731 -1.256 1.00 0.00 H new ATOM 682 N LEU A 49 4.796 -0.437 1.219 1.00 0.00 N ATOM 683 CA LEU A 49 3.777 -0.891 2.145 1.00 0.00 C ATOM 684 C LEU A 49 2.479 -0.150 1.882 1.00 0.00 C ATOM 685 O LEU A 49 2.478 0.922 1.281 1.00 0.00 O ATOM 686 CB LEU A 49 4.212 -0.690 3.594 1.00 0.00 C ATOM 687 CG LEU A 49 5.663 -1.039 3.896 1.00 0.00 C ATOM 688 CD1 LEU A 49 6.274 0.007 4.817 1.00 0.00 C ATOM 689 CD2 LEU A 49 5.743 -2.425 4.514 1.00 0.00 C ATOM 0 H LEU A 49 5.519 0.155 1.627 1.00 0.00 H new ATOM 0 HA LEU A 49 3.625 -1.959 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.043 0.352 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.570 -1.294 4.235 1.00 0.00 H new ATOM 0 HG LEU A 49 6.233 -1.044 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.312 -0.254 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.235 0.984 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.714 0.041 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.784 -2.669 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.168 -2.444 5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.334 -3.158 3.818 1.00 0.00 H new ATOM 700 N PHE A 50 1.377 -0.722 2.331 1.00 0.00 N ATOM 701 CA PHE A 50 0.054 -0.145 2.131 1.00 0.00 C ATOM 702 C PHE A 50 -0.867 -0.496 3.280 1.00 0.00 C ATOM 703 O PHE A 50 -0.665 -1.519 3.935 1.00 0.00 O ATOM 704 CB PHE A 50 -0.518 -0.666 0.814 1.00 0.00 C ATOM 705 CG PHE A 50 -0.578 -2.170 0.718 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.499 -2.898 0.228 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.720 -2.856 1.107 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.436 -4.279 0.129 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.784 -4.235 1.011 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.706 -4.944 0.520 1.00 0.00 C ATOM 0 H PHE A 50 1.371 -1.602 2.846 1.00 0.00 H new ATOM 0 HA PHE A 50 0.138 0.941 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.523 -0.264 0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.087 -0.284 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.396 -2.382 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.568 -2.307 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.280 -4.833 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.678 -4.757 1.320 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.758 -6.020 0.442 1.00 0.00 H new ATOM 719 N PRO A 51 -1.899 0.324 3.568 1.00 0.00 N ATOM 720 CA PRO A 51 -2.768 -0.003 4.670 1.00 0.00 C ATOM 721 C PRO A 51 -3.795 -0.999 4.214 1.00 0.00 C ATOM 722 O PRO A 51 -4.725 -0.720 3.480 1.00 0.00 O ATOM 723 CB PRO A 51 -3.372 1.338 5.039 1.00 0.00 C ATOM 724 CG PRO A 51 -3.135 2.256 3.870 1.00 0.00 C ATOM 725 CD PRO A 51 -2.296 1.527 2.857 1.00 0.00 C ATOM 0 HA PRO A 51 -2.272 -0.466 5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.438 1.239 5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.910 1.735 5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.084 2.560 3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.630 3.165 4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.863 1.295 1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.433 2.117 2.548 1.00 0.00 H new ATOM 730 N SER A 52 -3.463 -2.186 4.611 1.00 0.00 N ATOM 731 CA SER A 52 -4.260 -3.352 4.284 1.00 0.00 C ATOM 732 C SER A 52 -5.795 -3.102 4.225 1.00 0.00 C ATOM 733 O SER A 52 -6.516 -3.850 3.565 1.00 0.00 O ATOM 734 CB SER A 52 -3.934 -4.440 5.287 1.00 0.00 C ATOM 735 OG SER A 52 -4.601 -5.641 4.972 1.00 0.00 O ATOM 0 H SER A 52 -2.635 -2.387 5.171 1.00 0.00 H new ATOM 0 HA SER A 52 -3.995 -3.647 3.269 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.858 -4.612 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.220 -4.114 6.287 1.00 0.00 H new ATOM 0 HG SER A 52 -3.982 -6.249 4.517 1.00 0.00 H new ATOM 740 N ASN A 53 -6.290 -2.049 4.915 1.00 0.00 N ATOM 741 CA ASN A 53 -7.729 -1.725 4.897 1.00 0.00 C ATOM 742 C ASN A 53 -8.105 -0.801 3.717 1.00 0.00 C ATOM 743 O ASN A 53 -9.284 -0.610 3.421 1.00 0.00 O ATOM 744 CB ASN A 53 -8.157 -1.078 6.217 1.00 0.00 C ATOM 745 CG ASN A 53 -7.662 0.348 6.358 1.00 0.00 C ATOM 746 OD1 ASN A 53 -6.695 0.749 5.710 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.324 1.122 7.210 1.00 0.00 N ATOM 0 H ASN A 53 -5.722 -1.420 5.482 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.261 -2.667 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.245 -1.089 6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.779 -1.673 7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.036 2.091 7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.120 0.748 7.726 1.00 0.00 H new ATOM 753 N TYR A 54 -7.097 -0.240 3.058 1.00 0.00 N ATOM 754 CA TYR A 54 -7.303 0.629 1.902 1.00 0.00 C ATOM 755 C TYR A 54 -7.411 -0.237 0.620 1.00 0.00 C ATOM 756 O TYR A 54 -7.798 0.256 -0.440 1.00 0.00 O ATOM 757 CB TYR A 54 -6.120 1.610 1.788 1.00 0.00 C ATOM 758 CG TYR A 54 -6.401 3.075 1.999 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.428 3.575 3.280 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.550 3.970 0.937 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.595 4.915 3.515 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.728 5.314 1.158 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.743 5.789 2.451 1.00 0.00 C ATOM 764 OH TYR A 54 -6.904 7.136 2.681 1.00 0.00 O ATOM 0 H TYR A 54 -6.117 -0.373 3.308 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.225 1.197 2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.362 1.307 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.681 1.492 0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.316 2.900 4.115 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.525 3.598 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.611 5.289 4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.855 5.991 0.327 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.993 7.606 1.825 1.00 0.00 H new ATOM 773 N VAL A 55 -7.192 -1.560 0.762 1.00 0.00 N ATOM 774 CA VAL A 55 -7.188 -2.475 -0.390 1.00 0.00 C ATOM 775 C VAL A 55 -7.845 -3.818 -0.097 1.00 0.00 C ATOM 776 O VAL A 55 -7.971 -4.228 1.057 1.00 0.00 O ATOM 777 CB VAL A 55 -5.751 -2.827 -0.840 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.993 -1.593 -1.303 1.00 0.00 C ATOM 779 CG2 VAL A 55 -5.007 -3.558 0.268 1.00 0.00 C ATOM 0 H VAL A 55 -7.017 -2.013 1.659 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.742 -1.930 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.821 -3.497 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.987 -1.878 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.516 -1.139 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.931 -0.875 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.998 -3.797 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.954 -2.922 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.535 -4.479 0.515 1.00 0.00 H new ATOM 789 N SER A 56 -8.260 -4.489 -1.158 1.00 0.00 N ATOM 790 CA SER A 56 -8.856 -5.811 -1.062 1.00 0.00 C ATOM 791 C SER A 56 -7.890 -6.867 -1.614 1.00 0.00 C ATOM 792 O SER A 56 -7.367 -6.719 -2.716 1.00 0.00 O ATOM 793 CB SER A 56 -10.150 -5.837 -1.852 1.00 0.00 C ATOM 794 OG SER A 56 -11.094 -6.719 -1.272 1.00 0.00 O ATOM 0 H SER A 56 -8.193 -4.132 -2.111 1.00 0.00 H new ATOM 0 HA SER A 56 -9.062 -6.037 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.570 -4.832 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.945 -6.144 -2.878 1.00 0.00 H new ATOM 0 HG SER A 56 -11.918 -6.712 -1.803 1.00 0.00 H new ATOM 799 N LEU A 57 -7.702 -7.954 -0.864 1.00 0.00 N ATOM 800 CA LEU A 57 -6.778 -9.005 -1.307 1.00 0.00 C ATOM 801 C LEU A 57 -7.428 -9.913 -2.335 1.00 0.00 C ATOM 802 O LEU A 57 -8.541 -10.403 -2.146 1.00 0.00 O ATOM 803 CB LEU A 57 -6.288 -9.858 -0.138 1.00 0.00 C ATOM 804 CG LEU A 57 -5.312 -9.168 0.814 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.957 -10.084 1.981 1.00 0.00 C ATOM 806 CD2 LEU A 57 -4.055 -8.754 0.066 1.00 0.00 C ATOM 0 H LEU A 57 -8.162 -8.130 0.029 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.926 -8.496 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.154 -10.191 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.808 -10.751 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.794 -8.276 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.261 -9.573 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.863 -10.340 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.493 -10.994 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.367 -8.263 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.576 -9.637 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.319 -8.064 -0.736 1.00 0.00 H new ATOM 817 N GLY A 58 -6.712 -10.125 -3.427 1.00 0.00 N ATOM 818 CA GLY A 58 -7.215 -10.963 -4.495 1.00 0.00 C ATOM 819 C GLY A 58 -7.014 -12.445 -4.209 1.00 0.00 C ATOM 820 O GLY A 58 -7.309 -13.286 -5.056 1.00 0.00 O ATOM 0 H GLY A 58 -5.787 -9.730 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.277 -10.764 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.711 -10.703 -5.426 1.00 0.00 H new ATOM 824 N ASN A 59 -6.511 -12.765 -3.015 1.00 0.00 N ATOM 825 CA ASN A 59 -6.265 -14.150 -2.634 1.00 0.00 C ATOM 826 C ASN A 59 -6.673 -14.398 -1.186 1.00 0.00 C ATOM 827 O ASN A 59 -7.394 -15.350 -0.897 1.00 0.00 O ATOM 828 CB ASN A 59 -4.787 -14.499 -2.826 1.00 0.00 C ATOM 829 CG ASN A 59 -4.525 -15.988 -2.703 1.00 0.00 C ATOM 830 OD1 ASN A 59 -5.432 -16.768 -2.416 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.278 -16.389 -2.921 1.00 0.00 N ATOM 0 H ASN A 59 -6.267 -12.081 -2.298 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.870 -14.790 -3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.459 -14.155 -3.807 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.191 -13.965 -2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.041 -17.379 -2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.557 -15.707 -3.157 1.00 0.00 H new