USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 554 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 168:sc= 0.154 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.73) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.55) USER MOD Single : A 61 THR OG1 : rot 170:sc= -2.15! USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 44:sc= 0.439 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.189 -17.082 6.934 1.00 0.00 N ATOM 2 CA GLY A 1 -7.087 -17.276 8.058 1.00 0.00 C ATOM 3 C GLY A 1 -6.497 -18.179 9.124 1.00 0.00 C ATOM 4 O GLY A 1 -6.111 -17.716 10.195 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.639 -16.458 6.234 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.305 -16.648 7.267 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.979 -18.001 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.327 -16.308 8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.023 -17.705 7.701 1.00 0.00 H new ATOM 8 N SER A 2 -6.428 -19.473 8.827 1.00 0.00 N ATOM 9 CA SER A 2 -5.886 -20.445 9.770 1.00 0.00 C ATOM 10 C SER A 2 -4.380 -20.604 9.581 1.00 0.00 C ATOM 11 O SER A 2 -3.602 -20.394 10.511 1.00 0.00 O ATOM 12 CB SER A 2 -6.578 -21.799 9.594 1.00 0.00 C ATOM 13 OG SER A 2 -7.787 -21.853 10.331 1.00 0.00 O ATOM 0 H SER A 2 -6.740 -19.872 7.942 1.00 0.00 H new ATOM 0 HA SER A 2 -6.072 -20.078 10.779 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.784 -21.971 8.538 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.912 -22.597 9.923 1.00 0.00 H new ATOM 0 HG SER A 2 -8.211 -22.727 10.201 1.00 0.00 H new ATOM 19 N SER A 3 -3.977 -20.973 8.369 1.00 0.00 N ATOM 20 CA SER A 3 -2.565 -21.163 8.059 1.00 0.00 C ATOM 21 C SER A 3 -1.931 -19.856 7.594 1.00 0.00 C ATOM 22 O SER A 3 -2.611 -18.974 7.071 1.00 0.00 O ATOM 23 CB SER A 3 -2.400 -22.236 6.980 1.00 0.00 C ATOM 24 OG SER A 3 -1.030 -22.444 6.677 1.00 0.00 O ATOM 0 H SER A 3 -4.608 -21.146 7.586 1.00 0.00 H new ATOM 0 HA SER A 3 -2.058 -21.489 8.967 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.847 -23.170 7.319 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.934 -21.936 6.079 1.00 0.00 H new ATOM 0 HG SER A 3 -0.949 -23.135 5.987 1.00 0.00 H new ATOM 30 N GLY A 4 -0.621 -19.739 7.790 1.00 0.00 N ATOM 31 CA GLY A 4 0.086 -18.537 7.386 1.00 0.00 C ATOM 32 C GLY A 4 1.575 -18.620 7.657 1.00 0.00 C ATOM 33 O GLY A 4 1.996 -18.742 8.807 1.00 0.00 O ATOM 0 H GLY A 4 -0.037 -20.455 8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.077 -18.364 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.329 -17.680 7.916 1.00 0.00 H new ATOM 37 N SER A 5 2.372 -18.556 6.595 1.00 0.00 N ATOM 38 CA SER A 5 3.822 -18.631 6.724 1.00 0.00 C ATOM 39 C SER A 5 4.399 -17.285 7.153 1.00 0.00 C ATOM 40 O SER A 5 5.229 -17.214 8.061 1.00 0.00 O ATOM 41 CB SER A 5 4.451 -19.068 5.400 1.00 0.00 C ATOM 42 OG SER A 5 5.864 -18.990 5.455 1.00 0.00 O ATOM 0 H SER A 5 2.038 -18.452 5.637 1.00 0.00 H new ATOM 0 HA SER A 5 4.056 -19.369 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.149 -20.090 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.080 -18.437 4.592 1.00 0.00 H new ATOM 0 HG SER A 5 6.241 -19.276 4.597 1.00 0.00 H new ATOM 48 N SER A 6 3.955 -16.220 6.495 1.00 0.00 N ATOM 49 CA SER A 6 4.428 -14.877 6.806 1.00 0.00 C ATOM 50 C SER A 6 3.803 -14.364 8.100 1.00 0.00 C ATOM 51 O SER A 6 4.506 -14.012 9.045 1.00 0.00 O ATOM 52 CB SER A 6 4.105 -13.921 5.656 1.00 0.00 C ATOM 53 OG SER A 6 4.508 -12.597 5.964 1.00 0.00 O ATOM 0 H SER A 6 3.268 -16.261 5.742 1.00 0.00 H new ATOM 0 HA SER A 6 5.509 -14.922 6.940 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.608 -14.256 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.034 -13.940 5.453 1.00 0.00 H new ATOM 0 HG SER A 6 4.292 -12.006 5.213 1.00 0.00 H new ATOM 59 N GLY A 7 2.475 -14.326 8.132 1.00 0.00 N ATOM 60 CA GLY A 7 1.775 -13.857 9.314 1.00 0.00 C ATOM 61 C GLY A 7 1.002 -12.577 9.060 1.00 0.00 C ATOM 62 O GLY A 7 1.063 -11.640 9.855 1.00 0.00 O ATOM 0 H GLY A 7 1.871 -14.611 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.088 -14.631 9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.494 -13.691 10.116 1.00 0.00 H new ATOM 66 N ASP A 8 0.278 -12.537 7.949 1.00 0.00 N ATOM 67 CA ASP A 8 -0.510 -11.361 7.591 1.00 0.00 C ATOM 68 C ASP A 8 -1.843 -11.355 8.333 1.00 0.00 C ATOM 69 O ASP A 8 -2.343 -12.392 8.770 1.00 0.00 O ATOM 70 CB ASP A 8 -0.752 -11.323 6.081 1.00 0.00 C ATOM 71 CG ASP A 8 -1.025 -12.697 5.503 1.00 0.00 C ATOM 72 OD1 ASP A 8 -1.681 -13.509 6.189 1.00 0.00 O ATOM 73 OD2 ASP A 8 -0.583 -12.962 4.366 1.00 0.00 O ATOM 0 H ASP A 8 0.219 -13.304 7.279 1.00 0.00 H new ATOM 0 HA ASP A 8 0.052 -10.474 7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.597 -10.668 5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.119 -10.891 5.587 1.00 0.00 H new ATOM 78 N PRO A 9 -2.432 -10.159 8.477 1.00 0.00 N ATOM 79 CA PRO A 9 -3.716 -9.988 9.166 1.00 0.00 C ATOM 80 C PRO A 9 -4.880 -10.578 8.377 1.00 0.00 C ATOM 81 O PRO A 9 -4.762 -10.897 7.194 1.00 0.00 O ATOM 82 CB PRO A 9 -3.859 -8.469 9.277 1.00 0.00 C ATOM 83 CG PRO A 9 -3.043 -7.928 8.155 1.00 0.00 C ATOM 84 CD PRO A 9 -1.894 -8.882 7.981 1.00 0.00 C ATOM 0 HA PRO A 9 -3.735 -10.502 10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.902 -8.162 9.192 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.498 -8.107 10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.634 -7.858 7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.685 -6.924 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.586 -8.954 6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.020 -8.566 8.550 1.00 0.00 H new ATOM 92 N PRO A 10 -6.034 -10.725 9.045 1.00 0.00 N ATOM 93 CA PRO A 10 -7.243 -11.276 8.425 1.00 0.00 C ATOM 94 C PRO A 10 -7.848 -10.329 7.393 1.00 0.00 C ATOM 95 O PRO A 10 -8.408 -10.766 6.388 1.00 0.00 O ATOM 96 CB PRO A 10 -8.197 -11.458 9.607 1.00 0.00 C ATOM 97 CG PRO A 10 -7.739 -10.467 10.620 1.00 0.00 C ATOM 98 CD PRO A 10 -6.248 -10.367 10.458 1.00 0.00 C ATOM 0 HA PRO A 10 -7.038 -12.197 7.880 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.231 -11.275 9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.152 -12.474 9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.214 -9.499 10.461 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.001 -10.790 11.628 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.886 -9.362 10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.724 -11.048 11.129 1.00 0.00 H new ATOM 106 N TRP A 11 -7.732 -9.031 7.649 1.00 0.00 N ATOM 107 CA TRP A 11 -8.267 -8.023 6.742 1.00 0.00 C ATOM 108 C TRP A 11 -7.411 -7.911 5.486 1.00 0.00 C ATOM 109 O TRP A 11 -7.909 -7.575 4.411 1.00 0.00 O ATOM 110 CB TRP A 11 -8.345 -6.665 7.444 1.00 0.00 C ATOM 111 CG TRP A 11 -7.073 -6.284 8.140 1.00 0.00 C ATOM 112 CD1 TRP A 11 -6.761 -6.494 9.453 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.943 -5.622 7.559 1.00 0.00 C ATOM 114 NE1 TRP A 11 -5.506 -6.004 9.723 1.00 0.00 N ATOM 115 CE2 TRP A 11 -4.983 -5.465 8.578 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.648 -5.150 6.278 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -3.752 -4.855 8.352 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -4.426 -4.543 6.056 1.00 0.00 C ATOM 119 CH2 TRP A 11 -3.489 -4.400 7.089 1.00 0.00 C ATOM 0 H TRP A 11 -7.272 -8.652 8.477 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.271 -8.331 6.448 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.593 -5.898 6.710 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.157 -6.686 8.171 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.406 -6.975 10.173 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.040 -6.036 10.629 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.362 -5.257 5.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.029 -4.745 9.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.189 -4.172 5.070 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.542 -3.922 6.884 1.00 0.00 H new ATOM 130 N ALA A 12 -6.120 -8.193 5.627 1.00 0.00 N ATOM 131 CA ALA A 12 -5.195 -8.127 4.502 1.00 0.00 C ATOM 132 C ALA A 12 -5.705 -8.950 3.323 1.00 0.00 C ATOM 133 O ALA A 12 -6.427 -9.933 3.487 1.00 0.00 O ATOM 134 CB ALA A 12 -3.815 -8.606 4.924 1.00 0.00 C ATOM 0 H ALA A 12 -5.691 -8.470 6.510 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.124 -7.087 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.135 -8.551 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.441 -7.974 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.878 -9.637 5.272 1.00 0.00 H new ATOM 140 N PRO A 13 -5.324 -8.537 2.104 1.00 0.00 N ATOM 141 CA PRO A 13 -5.731 -9.222 0.874 1.00 0.00 C ATOM 142 C PRO A 13 -5.073 -10.589 0.727 1.00 0.00 C ATOM 143 O PRO A 13 -3.865 -10.730 0.916 1.00 0.00 O ATOM 144 CB PRO A 13 -5.256 -8.276 -0.232 1.00 0.00 C ATOM 145 CG PRO A 13 -4.127 -7.518 0.376 1.00 0.00 C ATOM 146 CD PRO A 13 -4.465 -7.372 1.834 1.00 0.00 C ATOM 0 HA PRO A 13 -6.803 -9.420 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.932 -8.829 -1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.055 -7.607 -0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.184 -8.050 0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.011 -6.543 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.570 -7.380 2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.984 -6.435 2.034 1.00 0.00 H new ATOM 154 N ARG A 14 -5.873 -11.593 0.385 1.00 0.00 N ATOM 155 CA ARG A 14 -5.368 -12.949 0.212 1.00 0.00 C ATOM 156 C ARG A 14 -4.124 -12.957 -0.671 1.00 0.00 C ATOM 157 O ARG A 14 -3.131 -13.613 -0.355 1.00 0.00 O ATOM 158 CB ARG A 14 -6.447 -13.845 -0.400 1.00 0.00 C ATOM 159 CG ARG A 14 -7.439 -14.385 0.616 1.00 0.00 C ATOM 160 CD ARG A 14 -8.286 -15.504 0.029 1.00 0.00 C ATOM 161 NE ARG A 14 -9.319 -14.993 -0.869 1.00 0.00 N ATOM 162 CZ ARG A 14 -10.075 -15.772 -1.636 1.00 0.00 C ATOM 163 NH1 ARG A 14 -9.914 -17.087 -1.615 1.00 0.00 N ATOM 164 NH2 ARG A 14 -10.994 -15.235 -2.427 1.00 0.00 N ATOM 0 H ARG A 14 -6.875 -11.493 0.222 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.098 -13.337 1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.988 -13.280 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.967 -14.682 -0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.902 -14.754 1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.087 -13.578 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.644 -16.198 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.754 -16.067 0.837 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.468 -13.985 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.208 -17.505 -1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.496 -17.682 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.121 -14.223 -2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.574 -15.834 -3.015 1.00 0.00 H new ATOM 178 N SER A 15 -4.185 -12.224 -1.777 1.00 0.00 N ATOM 179 CA SER A 15 -3.066 -12.149 -2.707 1.00 0.00 C ATOM 180 C SER A 15 -2.838 -10.714 -3.171 1.00 0.00 C ATOM 181 O SER A 15 -3.709 -9.856 -3.019 1.00 0.00 O ATOM 182 CB SER A 15 -3.319 -13.052 -3.916 1.00 0.00 C ATOM 183 OG SER A 15 -4.313 -12.505 -4.764 1.00 0.00 O ATOM 0 H SER A 15 -4.998 -11.673 -2.051 1.00 0.00 H new ATOM 0 HA SER A 15 -2.171 -12.490 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.393 -13.184 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.630 -14.040 -3.577 1.00 0.00 H new ATOM 0 HG SER A 15 -4.454 -13.101 -5.529 1.00 0.00 H new ATOM 189 N TYR A 16 -1.664 -10.460 -3.736 1.00 0.00 N ATOM 190 CA TYR A 16 -1.320 -9.128 -4.220 1.00 0.00 C ATOM 191 C TYR A 16 -0.084 -9.173 -5.113 1.00 0.00 C ATOM 192 O TYR A 16 0.584 -10.204 -5.215 1.00 0.00 O ATOM 193 CB TYR A 16 -1.077 -8.182 -3.043 1.00 0.00 C ATOM 194 CG TYR A 16 -0.183 -8.765 -1.972 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.198 -8.616 -2.036 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.717 -9.463 -0.897 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.019 -9.149 -1.062 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.096 -9.996 0.084 1.00 0.00 C ATOM 199 CZ TYR A 16 1.463 -9.837 -0.003 1.00 0.00 C ATOM 200 OH TYR A 16 2.278 -10.367 0.972 1.00 0.00 O ATOM 0 H TYR A 16 -0.933 -11.159 -3.871 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.158 -8.757 -4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.630 -7.260 -3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.036 -7.915 -2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.636 -8.074 -2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.787 -9.591 -0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.090 -9.028 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.336 -10.534 0.915 1.00 0.00 H new ATOM 0 HH TYR A 16 1.730 -10.819 1.647 1.00 0.00 H new ATOM 210 N LEU A 17 0.217 -8.052 -5.756 1.00 0.00 N ATOM 211 CA LEU A 17 1.373 -7.963 -6.641 1.00 0.00 C ATOM 212 C LEU A 17 2.664 -7.833 -5.838 1.00 0.00 C ATOM 213 O LEU A 17 3.610 -8.591 -6.042 1.00 0.00 O ATOM 214 CB LEU A 17 1.225 -6.770 -7.587 1.00 0.00 C ATOM 215 CG LEU A 17 0.096 -6.863 -8.615 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.330 -5.476 -9.067 1.00 0.00 C ATOM 217 CD2 LEU A 17 0.528 -7.706 -9.807 1.00 0.00 C ATOM 0 H LEU A 17 -0.324 -7.190 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 17 1.422 -8.880 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.070 -5.873 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.166 -6.637 -8.121 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.759 -7.347 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.134 -5.562 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.681 -4.905 -8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.519 -4.964 -9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.287 -7.761 -10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.399 -7.250 -10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.782 -8.711 -9.469 1.00 0.00 H new ATOM 229 N GLU A 18 2.692 -6.868 -4.926 1.00 0.00 N ATOM 230 CA GLU A 18 3.865 -6.640 -4.091 1.00 0.00 C ATOM 231 C GLU A 18 3.500 -5.841 -2.843 1.00 0.00 C ATOM 232 O GLU A 18 2.374 -5.363 -2.705 1.00 0.00 O ATOM 233 CB GLU A 18 4.946 -5.902 -4.883 1.00 0.00 C ATOM 234 CG GLU A 18 4.541 -4.499 -5.304 1.00 0.00 C ATOM 235 CD GLU A 18 4.915 -3.451 -4.274 1.00 0.00 C ATOM 236 OE1 GLU A 18 4.303 -3.444 -3.185 1.00 0.00 O ATOM 237 OE2 GLU A 18 5.819 -2.638 -4.556 1.00 0.00 O ATOM 0 H GLU A 18 1.916 -6.231 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 18 4.250 -7.611 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.851 -5.844 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.193 -6.482 -5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.018 -4.257 -6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.464 -4.470 -5.472 1.00 0.00 H new ATOM 244 N LYS A 19 4.460 -5.700 -1.936 1.00 0.00 N ATOM 245 CA LYS A 19 4.242 -4.959 -0.698 1.00 0.00 C ATOM 246 C LYS A 19 5.136 -3.726 -0.639 1.00 0.00 C ATOM 247 O LYS A 19 6.267 -3.742 -1.128 1.00 0.00 O ATOM 248 CB LYS A 19 4.511 -5.857 0.511 1.00 0.00 C ATOM 249 CG LYS A 19 4.059 -5.252 1.830 1.00 0.00 C ATOM 250 CD LYS A 19 4.908 -5.747 2.990 1.00 0.00 C ATOM 251 CE LYS A 19 4.643 -7.215 3.286 1.00 0.00 C ATOM 252 NZ LYS A 19 5.656 -7.783 4.220 1.00 0.00 N ATOM 0 H LYS A 19 5.398 -6.089 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 19 3.202 -4.633 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.003 -6.810 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.579 -6.069 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.118 -4.165 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.014 -5.505 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.963 -5.606 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.696 -5.151 3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.648 -7.325 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.650 -7.781 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.441 -8.785 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.603 -7.701 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.632 -7.260 5.118 1.00 0.00 H new ATOM 266 N VAL A 20 4.626 -2.659 -0.034 1.00 0.00 N ATOM 267 CA VAL A 20 5.380 -1.417 0.093 1.00 0.00 C ATOM 268 C VAL A 20 5.252 -0.838 1.498 1.00 0.00 C ATOM 269 O VAL A 20 4.362 -1.216 2.259 1.00 0.00 O ATOM 270 CB VAL A 20 4.906 -0.366 -0.928 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.204 -0.827 -2.346 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.422 -0.084 -0.752 1.00 0.00 C ATOM 0 H VAL A 20 3.693 -2.629 0.377 1.00 0.00 H new ATOM 0 HA VAL A 20 6.424 -1.659 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 20 5.452 0.560 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.862 -0.072 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.278 -0.974 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.686 -1.766 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.104 0.661 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.857 -1.004 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.240 0.293 0.254 1.00 0.00 H new ATOM 282 N VAL A 21 6.151 0.083 1.836 1.00 0.00 N ATOM 283 CA VAL A 21 6.139 0.716 3.150 1.00 0.00 C ATOM 284 C VAL A 21 6.066 2.234 3.026 1.00 0.00 C ATOM 285 O VAL A 21 6.699 2.828 2.153 1.00 0.00 O ATOM 286 CB VAL A 21 7.388 0.337 3.966 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.652 0.590 3.158 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.422 1.110 5.277 1.00 0.00 C ATOM 0 H VAL A 21 6.896 0.407 1.218 1.00 0.00 H new ATOM 0 HA VAL A 21 5.252 0.354 3.670 1.00 0.00 H new ATOM 0 HB VAL A 21 7.340 -0.727 4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.524 0.316 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.629 -0.011 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.710 1.646 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.311 0.830 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.446 2.180 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.532 0.875 5.861 1.00 0.00 H new ATOM 298 N ALA A 22 5.289 2.856 3.907 1.00 0.00 N ATOM 299 CA ALA A 22 5.135 4.306 3.898 1.00 0.00 C ATOM 300 C ALA A 22 6.280 4.984 4.645 1.00 0.00 C ATOM 301 O ALA A 22 6.307 4.999 5.876 1.00 0.00 O ATOM 302 CB ALA A 22 3.797 4.698 4.511 1.00 0.00 C ATOM 0 H ALA A 22 4.757 2.379 4.635 1.00 0.00 H new ATOM 0 HA ALA A 22 5.161 4.644 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.695 5.783 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.988 4.250 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.750 4.341 5.540 1.00 0.00 H new ATOM 308 N ILE A 23 7.221 5.541 3.892 1.00 0.00 N ATOM 309 CA ILE A 23 8.367 6.221 4.482 1.00 0.00 C ATOM 310 C ILE A 23 8.029 7.666 4.834 1.00 0.00 C ATOM 311 O ILE A 23 8.824 8.365 5.463 1.00 0.00 O ATOM 312 CB ILE A 23 9.581 6.205 3.534 1.00 0.00 C ATOM 313 CG1 ILE A 23 9.154 6.586 2.117 1.00 0.00 C ATOM 314 CG2 ILE A 23 10.243 4.835 3.544 1.00 0.00 C ATOM 315 CD1 ILE A 23 10.303 7.021 1.234 1.00 0.00 C ATOM 0 H ILE A 23 7.213 5.535 2.872 1.00 0.00 H new ATOM 0 HA ILE A 23 8.621 5.678 5.393 1.00 0.00 H new ATOM 0 HB ILE A 23 10.306 6.940 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.655 5.734 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.423 7.393 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.099 4.840 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.578 4.600 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.526 4.082 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.925 7.276 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.789 7.893 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.024 6.208 1.149 1.00 0.00 H new ATOM 327 N TYR A 24 6.845 8.106 4.425 1.00 0.00 N ATOM 328 CA TYR A 24 6.401 9.469 4.694 1.00 0.00 C ATOM 329 C TYR A 24 4.896 9.514 4.932 1.00 0.00 C ATOM 330 O TYR A 24 4.123 8.877 4.217 1.00 0.00 O ATOM 331 CB TYR A 24 6.772 10.390 3.531 1.00 0.00 C ATOM 332 CG TYR A 24 8.249 10.393 3.210 1.00 0.00 C ATOM 333 CD1 TYR A 24 9.186 10.796 4.155 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.710 9.996 1.961 1.00 0.00 C ATOM 335 CE1 TYR A 24 10.536 10.801 3.866 1.00 0.00 C ATOM 336 CE2 TYR A 24 10.059 9.997 1.663 1.00 0.00 C ATOM 337 CZ TYR A 24 10.967 10.400 2.619 1.00 0.00 C ATOM 338 OH TYR A 24 12.312 10.406 2.326 1.00 0.00 O ATOM 0 H TYR A 24 6.175 7.539 3.906 1.00 0.00 H new ATOM 0 HA TYR A 24 6.905 9.815 5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.217 10.084 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.458 11.406 3.769 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.852 11.111 5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.001 9.681 1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.250 11.117 4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.400 9.684 0.687 1.00 0.00 H new ATOM 0 HH TYR A 24 12.448 10.095 1.407 1.00 0.00 H new ATOM 348 N ASP A 25 4.486 10.271 5.945 1.00 0.00 N ATOM 349 CA ASP A 25 3.071 10.402 6.278 1.00 0.00 C ATOM 350 C ASP A 25 2.313 11.110 5.160 1.00 0.00 C ATOM 351 O ASP A 25 2.780 12.113 4.618 1.00 0.00 O ATOM 352 CB ASP A 25 2.903 11.169 7.591 1.00 0.00 C ATOM 353 CG ASP A 25 3.878 12.324 7.715 1.00 0.00 C ATOM 354 OD1 ASP A 25 4.165 12.970 6.686 1.00 0.00 O ATOM 355 OD2 ASP A 25 4.353 12.581 8.841 1.00 0.00 O ATOM 0 H ASP A 25 5.113 10.803 6.549 1.00 0.00 H new ATOM 0 HA ASP A 25 2.656 9.401 6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.884 11.549 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.045 10.486 8.428 1.00 0.00 H new ATOM 360 N TYR A 26 1.142 10.583 4.820 1.00 0.00 N ATOM 361 CA TYR A 26 0.321 11.164 3.764 1.00 0.00 C ATOM 362 C TYR A 26 -1.151 11.182 4.167 1.00 0.00 C ATOM 363 O TYR A 26 -1.710 10.160 4.570 1.00 0.00 O ATOM 364 CB TYR A 26 0.494 10.378 2.463 1.00 0.00 C ATOM 365 CG TYR A 26 -0.304 10.935 1.307 1.00 0.00 C ATOM 366 CD1 TYR A 26 0.155 12.028 0.582 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.519 10.370 0.940 1.00 0.00 C ATOM 368 CE1 TYR A 26 -0.571 12.540 -0.474 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.252 10.876 -0.116 1.00 0.00 C ATOM 370 CZ TYR A 26 -1.775 11.961 -0.819 1.00 0.00 C ATOM 371 OH TYR A 26 -2.500 12.469 -1.872 1.00 0.00 O ATOM 0 H TYR A 26 0.740 9.755 5.260 1.00 0.00 H new ATOM 0 HA TYR A 26 0.650 12.191 3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.550 10.368 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.198 9.343 2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.096 12.485 0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.897 9.521 1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.199 13.389 -1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.194 10.424 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.214 11.841 -2.111 1.00 0.00 H new ATOM 381 N THR A 27 -1.773 12.351 4.056 1.00 0.00 N ATOM 382 CA THR A 27 -3.179 12.505 4.408 1.00 0.00 C ATOM 383 C THR A 27 -4.069 12.418 3.174 1.00 0.00 C ATOM 384 O THR A 27 -3.649 12.760 2.066 1.00 0.00 O ATOM 385 CB THR A 27 -3.437 13.847 5.120 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.514 14.013 6.202 1.00 0.00 O ATOM 387 CG2 THR A 27 -4.862 13.916 5.645 1.00 0.00 C ATOM 0 H THR A 27 -1.325 13.206 3.725 1.00 0.00 H new ATOM 0 HA THR A 27 -3.425 11.689 5.087 1.00 0.00 H new ATOM 0 HB THR A 27 -3.295 14.650 4.397 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.683 14.869 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.020 14.872 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.561 13.820 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.028 13.105 6.354 1.00 0.00 H new ATOM 395 N LYS A 28 -5.301 11.961 3.367 1.00 0.00 N ATOM 396 CA LYS A 28 -6.251 11.831 2.269 1.00 0.00 C ATOM 397 C LYS A 28 -7.112 13.084 2.145 1.00 0.00 C ATOM 398 O LYS A 28 -7.647 13.582 3.135 1.00 0.00 O ATOM 399 CB LYS A 28 -7.143 10.604 2.482 1.00 0.00 C ATOM 400 CG LYS A 28 -7.700 10.495 3.890 1.00 0.00 C ATOM 401 CD LYS A 28 -8.894 9.556 3.947 1.00 0.00 C ATOM 402 CE LYS A 28 -10.200 10.300 3.712 1.00 0.00 C ATOM 403 NZ LYS A 28 -11.361 9.581 4.305 1.00 0.00 N ATOM 0 H LYS A 28 -5.666 11.674 4.275 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.687 11.706 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.971 10.640 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.570 9.705 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.922 10.136 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.996 11.483 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.779 8.774 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.925 9.063 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.132 11.299 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.359 10.426 2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.232 10.119 4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.441 8.637 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.222 9.483 5.331 1.00 0.00 H new ATOM 417 N ASP A 29 -7.244 13.586 0.921 1.00 0.00 N ATOM 418 CA ASP A 29 -8.042 14.779 0.668 1.00 0.00 C ATOM 419 C ASP A 29 -9.466 14.404 0.267 1.00 0.00 C ATOM 420 O ASP A 29 -10.379 15.229 0.331 1.00 0.00 O ATOM 421 CB ASP A 29 -7.398 15.626 -0.431 1.00 0.00 C ATOM 422 CG ASP A 29 -7.999 17.015 -0.519 1.00 0.00 C ATOM 423 OD1 ASP A 29 -8.238 17.628 0.543 1.00 0.00 O ATOM 424 OD2 ASP A 29 -8.229 17.490 -1.651 1.00 0.00 O ATOM 0 H ASP A 29 -6.809 13.185 0.090 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.082 15.361 1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.328 15.708 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.515 15.121 -1.390 1.00 0.00 H new ATOM 429 N LYS A 30 -9.650 13.156 -0.149 1.00 0.00 N ATOM 430 CA LYS A 30 -10.961 12.670 -0.561 1.00 0.00 C ATOM 431 C LYS A 30 -11.213 11.263 -0.027 1.00 0.00 C ATOM 432 O LYS A 30 -10.296 10.601 0.458 1.00 0.00 O ATOM 433 CB LYS A 30 -11.075 12.676 -2.086 1.00 0.00 C ATOM 434 CG LYS A 30 -9.754 12.433 -2.795 1.00 0.00 C ATOM 435 CD LYS A 30 -9.824 12.835 -4.258 1.00 0.00 C ATOM 436 CE LYS A 30 -10.897 12.054 -5.001 1.00 0.00 C ATOM 437 NZ LYS A 30 -11.008 12.477 -6.424 1.00 0.00 N ATOM 0 H LYS A 30 -8.906 12.461 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.715 13.338 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.788 11.910 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.480 13.636 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.965 12.998 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.488 11.379 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.032 13.902 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.856 12.665 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.668 10.989 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.857 12.195 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.750 11.921 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.252 13.487 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.100 12.319 -6.905 1.00 0.00 H new ATOM 451 N GLU A 31 -12.460 10.815 -0.120 1.00 0.00 N ATOM 452 CA GLU A 31 -12.831 9.486 0.353 1.00 0.00 C ATOM 453 C GLU A 31 -12.525 8.427 -0.703 1.00 0.00 C ATOM 454 O GLU A 31 -13.273 7.462 -0.864 1.00 0.00 O ATOM 455 CB GLU A 31 -14.318 9.445 0.716 1.00 0.00 C ATOM 456 CG GLU A 31 -15.238 9.747 -0.453 1.00 0.00 C ATOM 457 CD GLU A 31 -16.657 10.056 -0.016 1.00 0.00 C ATOM 458 OE1 GLU A 31 -17.397 9.106 0.312 1.00 0.00 O ATOM 459 OE2 GLU A 31 -17.024 11.250 -0.001 1.00 0.00 O ATOM 0 H GLU A 31 -13.231 11.352 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.241 9.268 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.560 8.459 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.509 10.164 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.842 10.594 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.249 8.894 -1.132 1.00 0.00 H new ATOM 466 N ASP A 32 -11.423 8.616 -1.419 1.00 0.00 N ATOM 467 CA ASP A 32 -11.016 7.679 -2.459 1.00 0.00 C ATOM 468 C ASP A 32 -9.573 7.229 -2.253 1.00 0.00 C ATOM 469 O ASP A 32 -9.198 6.121 -2.633 1.00 0.00 O ATOM 470 CB ASP A 32 -11.172 8.317 -3.839 1.00 0.00 C ATOM 471 CG ASP A 32 -12.597 8.252 -4.350 1.00 0.00 C ATOM 472 OD1 ASP A 32 -13.390 9.159 -4.016 1.00 0.00 O ATOM 473 OD2 ASP A 32 -12.922 7.295 -5.084 1.00 0.00 O ATOM 0 H ASP A 32 -10.795 9.410 -1.298 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.662 6.803 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.853 9.358 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.513 7.813 -4.546 1.00 0.00 H new ATOM 478 N GLU A 33 -8.769 8.098 -1.647 1.00 0.00 N ATOM 479 CA GLU A 33 -7.368 7.790 -1.392 1.00 0.00 C ATOM 480 C GLU A 33 -7.198 7.096 -0.043 1.00 0.00 C ATOM 481 O GLU A 33 -8.179 6.784 0.633 1.00 0.00 O ATOM 482 CB GLU A 33 -6.526 9.067 -1.430 1.00 0.00 C ATOM 483 CG GLU A 33 -6.216 9.552 -2.836 1.00 0.00 C ATOM 484 CD GLU A 33 -5.955 11.043 -2.897 1.00 0.00 C ATOM 485 OE1 GLU A 33 -6.803 11.814 -2.398 1.00 0.00 O ATOM 486 OE2 GLU A 33 -4.905 11.442 -3.441 1.00 0.00 O ATOM 0 H GLU A 33 -9.064 9.019 -1.324 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.025 7.113 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.052 9.855 -0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.589 8.890 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.344 9.019 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.051 9.306 -3.493 1.00 0.00 H new ATOM 493 N LEU A 34 -5.950 6.860 0.343 1.00 0.00 N ATOM 494 CA LEU A 34 -5.651 6.203 1.611 1.00 0.00 C ATOM 495 C LEU A 34 -4.628 7.003 2.410 1.00 0.00 C ATOM 496 O LEU A 34 -3.674 7.546 1.851 1.00 0.00 O ATOM 497 CB LEU A 34 -5.128 4.788 1.363 1.00 0.00 C ATOM 498 CG LEU A 34 -5.426 3.761 2.458 1.00 0.00 C ATOM 499 CD1 LEU A 34 -5.041 2.364 1.997 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.693 4.123 3.741 1.00 0.00 C ATOM 0 H LEU A 34 -5.127 7.114 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.573 6.147 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.551 4.424 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.048 4.840 1.226 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.497 3.772 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.260 1.647 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.611 2.105 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.976 2.337 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.916 3.382 4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.619 4.140 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.018 5.107 4.080 1.00 0.00 H new ATOM 512 N SER A 35 -4.831 7.071 3.722 1.00 0.00 N ATOM 513 CA SER A 35 -3.927 7.806 4.599 1.00 0.00 C ATOM 514 C SER A 35 -3.102 6.849 5.452 1.00 0.00 C ATOM 515 O SER A 35 -3.607 5.836 5.935 1.00 0.00 O ATOM 516 CB SER A 35 -4.719 8.758 5.499 1.00 0.00 C ATOM 517 OG SER A 35 -5.867 8.121 6.030 1.00 0.00 O ATOM 0 H SER A 35 -5.614 6.626 4.201 1.00 0.00 H new ATOM 0 HA SER A 35 -3.247 8.388 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.084 9.107 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.018 9.638 4.929 1.00 0.00 H new ATOM 0 HG SER A 35 -6.354 8.749 6.602 1.00 0.00 H new ATOM 523 N PHE A 36 -1.828 7.179 5.635 1.00 0.00 N ATOM 524 CA PHE A 36 -0.930 6.350 6.432 1.00 0.00 C ATOM 525 C PHE A 36 0.202 7.185 7.023 1.00 0.00 C ATOM 526 O PHE A 36 0.418 8.328 6.622 1.00 0.00 O ATOM 527 CB PHE A 36 -0.351 5.221 5.575 1.00 0.00 C ATOM 528 CG PHE A 36 -0.006 5.648 4.177 1.00 0.00 C ATOM 529 CD1 PHE A 36 1.169 6.336 3.918 1.00 0.00 C ATOM 530 CD2 PHE A 36 -0.855 5.359 3.120 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.488 6.730 2.633 1.00 0.00 C ATOM 532 CE2 PHE A 36 -0.540 5.750 1.832 1.00 0.00 C ATOM 533 CZ PHE A 36 0.633 6.436 1.588 1.00 0.00 C ATOM 0 H PHE A 36 -1.394 8.014 5.243 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.505 5.919 7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.544 4.831 6.059 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.071 4.404 5.530 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.843 6.567 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.774 4.822 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.406 7.268 2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.211 5.519 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.882 6.742 0.583 1.00 0.00 H new ATOM 543 N GLN A 37 0.917 6.605 7.981 1.00 0.00 N ATOM 544 CA GLN A 37 2.025 7.297 8.630 1.00 0.00 C ATOM 545 C GLN A 37 3.352 6.614 8.317 1.00 0.00 C ATOM 546 O GLN A 37 3.379 5.521 7.754 1.00 0.00 O ATOM 547 CB GLN A 37 1.808 7.345 10.144 1.00 0.00 C ATOM 548 CG GLN A 37 0.578 8.136 10.557 1.00 0.00 C ATOM 549 CD GLN A 37 -0.705 7.341 10.408 1.00 0.00 C ATOM 550 OE1 GLN A 37 -1.551 7.657 9.570 1.00 0.00 O ATOM 551 NE2 GLN A 37 -0.856 6.304 11.221 1.00 0.00 N ATOM 0 H GLN A 37 0.750 5.659 8.325 1.00 0.00 H new ATOM 0 HA GLN A 37 2.061 8.315 8.242 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.719 6.327 10.522 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.687 7.784 10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.686 8.453 11.594 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.513 9.041 9.952 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.129 6.078 11.900 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.699 5.732 11.167 1.00 0.00 H new ATOM 560 N GLU A 38 4.450 7.266 8.686 1.00 0.00 N ATOM 561 CA GLU A 38 5.780 6.720 8.443 1.00 0.00 C ATOM 562 C GLU A 38 5.969 5.396 9.180 1.00 0.00 C ATOM 563 O GLU A 38 6.202 5.375 10.388 1.00 0.00 O ATOM 564 CB GLU A 38 6.853 7.718 8.882 1.00 0.00 C ATOM 565 CG GLU A 38 8.263 7.151 8.848 1.00 0.00 C ATOM 566 CD GLU A 38 9.260 8.022 9.588 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.375 9.216 9.243 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.925 7.509 10.513 1.00 0.00 O ATOM 0 H GLU A 38 4.445 8.172 9.154 1.00 0.00 H new ATOM 0 HA GLU A 38 5.879 6.537 7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.808 8.595 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.631 8.056 9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.260 6.154 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.581 7.041 7.811 1.00 0.00 H new ATOM 575 N GLY A 39 5.866 4.297 8.442 1.00 0.00 N ATOM 576 CA GLY A 39 6.026 2.984 9.041 1.00 0.00 C ATOM 577 C GLY A 39 4.755 2.161 8.987 1.00 0.00 C ATOM 578 O GLY A 39 4.392 1.501 9.960 1.00 0.00 O ATOM 0 H GLY A 39 5.675 4.291 7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.824 2.448 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.337 3.098 10.079 1.00 0.00 H new ATOM 582 N ALA A 40 4.072 2.204 7.847 1.00 0.00 N ATOM 583 CA ALA A 40 2.834 1.456 7.670 1.00 0.00 C ATOM 584 C ALA A 40 2.980 0.401 6.579 1.00 0.00 C ATOM 585 O ALA A 40 3.620 0.639 5.553 1.00 0.00 O ATOM 586 CB ALA A 40 1.690 2.403 7.340 1.00 0.00 C ATOM 0 H ALA A 40 4.356 2.749 7.033 1.00 0.00 H new ATOM 0 HA ALA A 40 2.611 0.944 8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.771 1.832 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.562 3.116 8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.916 2.940 6.419 1.00 0.00 H new ATOM 592 N ILE A 41 2.387 -0.765 6.807 1.00 0.00 N ATOM 593 CA ILE A 41 2.451 -1.857 5.842 1.00 0.00 C ATOM 594 C ILE A 41 1.254 -1.829 4.900 1.00 0.00 C ATOM 595 O ILE A 41 0.105 -1.883 5.338 1.00 0.00 O ATOM 596 CB ILE A 41 2.506 -3.226 6.546 1.00 0.00 C ATOM 597 CG1 ILE A 41 3.789 -3.351 7.371 1.00 0.00 C ATOM 598 CG2 ILE A 41 2.415 -4.349 5.524 1.00 0.00 C ATOM 599 CD1 ILE A 41 5.050 -3.193 6.550 1.00 0.00 C ATOM 0 H ILE A 41 1.856 -0.979 7.651 1.00 0.00 H new ATOM 0 HA ILE A 41 3.366 -1.717 5.266 1.00 0.00 H new ATOM 0 HB ILE A 41 1.655 -3.305 7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.780 -2.597 8.159 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.803 -4.324 7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.455 -5.311 6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.476 -4.268 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.249 -4.274 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.921 -3.293 7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.081 -3.963 5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.058 -2.209 6.081 1.00 0.00 H new ATOM 611 N ILE A 42 1.531 -1.746 3.602 1.00 0.00 N ATOM 612 CA ILE A 42 0.476 -1.715 2.597 1.00 0.00 C ATOM 613 C ILE A 42 0.705 -2.778 1.528 1.00 0.00 C ATOM 614 O ILE A 42 1.824 -2.961 1.047 1.00 0.00 O ATOM 615 CB ILE A 42 0.384 -0.335 1.922 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.105 0.750 2.964 1.00 0.00 C ATOM 617 CG2 ILE A 42 -0.698 -0.339 0.853 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.344 2.154 2.454 1.00 0.00 C ATOM 0 H ILE A 42 2.477 -1.699 3.223 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.461 -1.920 3.115 1.00 0.00 H new ATOM 0 HB ILE A 42 1.339 -0.117 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.929 0.665 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.736 0.576 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.751 0.644 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.461 -1.088 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.659 -0.576 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.126 2.871 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.385 2.257 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.307 2.347 1.601 1.00 0.00 H new ATOM 630 N TYR A 43 -0.363 -3.476 1.157 1.00 0.00 N ATOM 631 CA TYR A 43 -0.281 -4.521 0.144 1.00 0.00 C ATOM 632 C TYR A 43 -0.795 -4.019 -1.200 1.00 0.00 C ATOM 633 O TYR A 43 -1.997 -3.830 -1.387 1.00 0.00 O ATOM 634 CB TYR A 43 -1.080 -5.750 0.583 1.00 0.00 C ATOM 635 CG TYR A 43 -0.604 -6.348 1.887 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.536 -7.142 1.936 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.294 -6.120 3.071 1.00 0.00 C ATOM 638 CE1 TYR A 43 0.973 -7.692 3.125 1.00 0.00 C ATOM 639 CE2 TYR A 43 -0.862 -6.663 4.266 1.00 0.00 C ATOM 640 CZ TYR A 43 0.271 -7.449 4.288 1.00 0.00 C ATOM 641 OH TYR A 43 0.703 -7.993 5.475 1.00 0.00 O ATOM 0 H TYR A 43 -1.297 -3.336 1.543 1.00 0.00 H new ATOM 0 HA TYR A 43 0.767 -4.799 0.030 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.130 -5.474 0.681 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.022 -6.509 -0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.090 -7.332 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.184 -5.508 3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.859 -8.309 3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.409 -6.473 5.178 1.00 0.00 H new ATOM 0 HH TYR A 43 0.098 -7.724 6.197 1.00 0.00 H new ATOM 651 N VAL A 44 0.124 -3.804 -2.136 1.00 0.00 N ATOM 652 CA VAL A 44 -0.234 -3.325 -3.465 1.00 0.00 C ATOM 653 C VAL A 44 -0.988 -4.394 -4.249 1.00 0.00 C ATOM 654 O VAL A 44 -0.429 -5.435 -4.594 1.00 0.00 O ATOM 655 CB VAL A 44 1.012 -2.901 -4.265 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.629 -2.519 -5.687 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.725 -1.752 -3.569 1.00 0.00 C ATOM 0 H VAL A 44 1.123 -3.954 -1.998 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.879 -2.457 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 44 1.697 -3.747 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.522 -2.222 -6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.166 -3.373 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.075 -1.688 -5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.603 -1.465 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.050 -0.900 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.034 -2.066 -2.572 1.00 0.00 H new ATOM 667 N ILE A 45 -2.259 -4.128 -4.528 1.00 0.00 N ATOM 668 CA ILE A 45 -3.089 -5.066 -5.274 1.00 0.00 C ATOM 669 C ILE A 45 -3.486 -4.492 -6.630 1.00 0.00 C ATOM 670 O ILE A 45 -4.152 -5.153 -7.426 1.00 0.00 O ATOM 671 CB ILE A 45 -4.365 -5.433 -4.492 1.00 0.00 C ATOM 672 CG1 ILE A 45 -5.086 -4.168 -4.026 1.00 0.00 C ATOM 673 CG2 ILE A 45 -4.021 -6.319 -3.304 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.529 -4.401 -3.636 1.00 0.00 C ATOM 0 H ILE A 45 -2.737 -3.271 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.492 -5.965 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.032 -5.986 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.551 -3.748 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.049 -3.425 -4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.932 -6.570 -2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.546 -7.234 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.338 -5.789 -2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.976 -3.460 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.079 -4.791 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.573 -5.120 -2.818 1.00 0.00 H new ATOM 686 N LYS A 46 -3.072 -3.256 -6.888 1.00 0.00 N ATOM 687 CA LYS A 46 -3.379 -2.593 -8.149 1.00 0.00 C ATOM 688 C LYS A 46 -2.363 -1.496 -8.450 1.00 0.00 C ATOM 689 O LYS A 46 -1.981 -0.729 -7.564 1.00 0.00 O ATOM 690 CB LYS A 46 -4.789 -1.998 -8.104 1.00 0.00 C ATOM 691 CG LYS A 46 -5.446 -1.887 -9.469 1.00 0.00 C ATOM 692 CD LYS A 46 -6.035 -3.216 -9.914 1.00 0.00 C ATOM 693 CE LYS A 46 -6.833 -3.070 -11.201 1.00 0.00 C ATOM 694 NZ LYS A 46 -8.200 -2.535 -10.948 1.00 0.00 N ATOM 0 H LYS A 46 -2.522 -2.693 -6.239 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.329 -3.337 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.414 -2.615 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.742 -1.008 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.232 -1.133 -9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.712 -1.550 -10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.233 -3.939 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.679 -3.611 -9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.303 -2.405 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.908 -4.039 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.712 -2.450 -11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.715 -3.182 -10.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.129 -1.599 -10.501 1.00 0.00 H new ATOM 708 N LYS A 47 -1.929 -1.426 -9.702 1.00 0.00 N ATOM 709 CA LYS A 47 -0.958 -0.421 -10.121 1.00 0.00 C ATOM 710 C LYS A 47 -1.355 0.194 -11.460 1.00 0.00 C ATOM 711 O LYS A 47 -1.408 -0.495 -12.478 1.00 0.00 O ATOM 712 CB LYS A 47 0.436 -1.042 -10.226 1.00 0.00 C ATOM 713 CG LYS A 47 0.456 -2.370 -10.962 1.00 0.00 C ATOM 714 CD LYS A 47 1.876 -2.812 -11.276 1.00 0.00 C ATOM 715 CE LYS A 47 2.594 -3.306 -10.030 1.00 0.00 C ATOM 716 NZ LYS A 47 3.760 -4.170 -10.369 1.00 0.00 N ATOM 0 H LYS A 47 -2.234 -2.053 -10.446 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.942 0.368 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.098 -0.343 -10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.837 -1.186 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.037 -3.130 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.112 -2.282 -11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.854 -3.605 -12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.430 -1.980 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.933 -2.452 -9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.897 -3.865 -9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.223 -4.487 -9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.434 -4.998 -10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.438 -3.629 -10.943 1.00 0.00 H new ATOM 730 N ASN A 48 -1.631 1.494 -11.450 1.00 0.00 N ATOM 731 CA ASN A 48 -2.021 2.202 -12.665 1.00 0.00 C ATOM 732 C ASN A 48 -0.799 2.761 -13.386 1.00 0.00 C ATOM 733 O ASN A 48 0.243 2.992 -12.772 1.00 0.00 O ATOM 734 CB ASN A 48 -2.993 3.335 -12.329 1.00 0.00 C ATOM 735 CG ASN A 48 -4.156 2.867 -11.476 1.00 0.00 C ATOM 736 OD1 ASN A 48 -4.799 1.862 -11.780 1.00 0.00 O ATOM 737 ND2 ASN A 48 -4.432 3.595 -10.401 1.00 0.00 N ATOM 0 H ASN A 48 -1.592 2.079 -10.615 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.516 1.492 -13.327 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.457 4.126 -11.805 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.375 3.768 -13.253 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.203 3.329 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.873 4.421 -10.187 1.00 0.00 H new ATOM 744 N ASP A 49 -0.935 2.975 -14.689 1.00 0.00 N ATOM 745 CA ASP A 49 0.158 3.509 -15.494 1.00 0.00 C ATOM 746 C ASP A 49 0.860 4.652 -14.767 1.00 0.00 C ATOM 747 O ASP A 49 2.080 4.795 -14.847 1.00 0.00 O ATOM 748 CB ASP A 49 -0.366 3.995 -16.846 1.00 0.00 C ATOM 749 CG ASP A 49 -1.074 2.899 -17.620 1.00 0.00 C ATOM 750 OD1 ASP A 49 -0.401 1.930 -18.026 1.00 0.00 O ATOM 751 OD2 ASP A 49 -2.302 3.012 -17.818 1.00 0.00 O ATOM 0 H ASP A 49 -1.791 2.787 -15.211 1.00 0.00 H new ATOM 0 HA ASP A 49 0.879 2.709 -15.659 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.053 4.827 -16.689 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.465 4.376 -17.439 1.00 0.00 H new ATOM 756 N ASP A 50 0.081 5.464 -14.059 1.00 0.00 N ATOM 757 CA ASP A 50 0.629 6.594 -13.318 1.00 0.00 C ATOM 758 C ASP A 50 1.115 6.156 -11.941 1.00 0.00 C ATOM 759 O ASP A 50 1.100 4.970 -11.614 1.00 0.00 O ATOM 760 CB ASP A 50 -0.424 7.695 -13.176 1.00 0.00 C ATOM 761 CG ASP A 50 -1.807 7.140 -12.897 1.00 0.00 C ATOM 762 OD1 ASP A 50 -1.946 6.346 -11.942 1.00 0.00 O ATOM 763 OD2 ASP A 50 -2.751 7.499 -13.632 1.00 0.00 O ATOM 0 H ASP A 50 -0.931 5.360 -13.983 1.00 0.00 H new ATOM 0 HA ASP A 50 1.480 6.985 -13.875 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.136 8.368 -12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.451 8.288 -14.090 1.00 0.00 H new ATOM 768 N GLY A 51 1.547 7.123 -11.136 1.00 0.00 N ATOM 769 CA GLY A 51 2.033 6.817 -9.803 1.00 0.00 C ATOM 770 C GLY A 51 0.911 6.673 -8.795 1.00 0.00 C ATOM 771 O GLY A 51 0.611 7.607 -8.052 1.00 0.00 O ATOM 0 H GLY A 51 1.569 8.112 -11.383 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.610 5.893 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.711 7.606 -9.477 1.00 0.00 H new ATOM 775 N TRP A 52 0.287 5.499 -8.771 1.00 0.00 N ATOM 776 CA TRP A 52 -0.810 5.237 -7.847 1.00 0.00 C ATOM 777 C TRP A 52 -1.053 3.740 -7.701 1.00 0.00 C ATOM 778 O TRP A 52 -1.339 3.049 -8.680 1.00 0.00 O ATOM 779 CB TRP A 52 -2.088 5.928 -8.331 1.00 0.00 C ATOM 780 CG TRP A 52 -1.978 7.422 -8.365 1.00 0.00 C ATOM 781 CD1 TRP A 52 -1.567 8.190 -9.418 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.280 8.329 -7.299 1.00 0.00 C ATOM 783 NE1 TRP A 52 -1.597 9.519 -9.070 1.00 0.00 N ATOM 784 CE2 TRP A 52 -2.032 9.631 -7.776 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.742 8.167 -5.990 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -2.227 10.762 -6.988 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -2.933 9.291 -5.208 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.678 10.574 -5.708 1.00 0.00 C ATOM 0 H TRP A 52 0.522 4.715 -9.380 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.534 5.638 -6.872 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.333 5.566 -9.330 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.914 5.646 -7.678 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.263 7.809 -10.382 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.337 10.296 -9.677 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.946 7.182 -5.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -2.030 11.752 -7.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.285 9.178 -4.193 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.840 11.432 -5.072 1.00 0.00 H new ATOM 799 N TYR A 53 -0.935 3.241 -6.475 1.00 0.00 N ATOM 800 CA TYR A 53 -1.140 1.825 -6.202 1.00 0.00 C ATOM 801 C TYR A 53 -2.303 1.619 -5.236 1.00 0.00 C ATOM 802 O TYR A 53 -2.419 2.317 -4.231 1.00 0.00 O ATOM 803 CB TYR A 53 0.134 1.207 -5.624 1.00 0.00 C ATOM 804 CG TYR A 53 1.375 1.506 -6.435 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.483 1.086 -7.756 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.438 2.207 -5.882 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.615 1.357 -8.500 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.572 2.484 -6.619 1.00 0.00 C ATOM 809 CZ TYR A 53 3.656 2.057 -7.929 1.00 0.00 C ATOM 810 OH TYR A 53 4.784 2.328 -8.667 1.00 0.00 O ATOM 0 H TYR A 53 -0.698 3.798 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.382 1.330 -7.143 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.277 1.574 -4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.006 0.127 -5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.669 0.539 -8.208 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.377 2.542 -4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.684 1.022 -9.524 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.389 3.032 -6.173 1.00 0.00 H new ATOM 0 HH TYR A 53 5.422 2.830 -8.118 1.00 0.00 H new ATOM 820 N GLU A 54 -3.159 0.651 -5.550 1.00 0.00 N ATOM 821 CA GLU A 54 -4.313 0.351 -4.710 1.00 0.00 C ATOM 822 C GLU A 54 -3.968 -0.712 -3.670 1.00 0.00 C ATOM 823 O GLU A 54 -3.744 -1.874 -4.005 1.00 0.00 O ATOM 824 CB GLU A 54 -5.488 -0.124 -5.569 1.00 0.00 C ATOM 825 CG GLU A 54 -6.841 0.069 -4.907 1.00 0.00 C ATOM 826 CD GLU A 54 -7.887 -0.902 -5.423 1.00 0.00 C ATOM 827 OE1 GLU A 54 -7.927 -1.132 -6.650 1.00 0.00 O ATOM 828 OE2 GLU A 54 -8.661 -1.432 -4.600 1.00 0.00 O ATOM 0 H GLU A 54 -3.075 0.062 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.598 1.265 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.476 0.415 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.354 -1.180 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.735 -0.056 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.183 1.090 -5.078 1.00 0.00 H new ATOM 835 N GLY A 55 -3.926 -0.302 -2.406 1.00 0.00 N ATOM 836 CA GLY A 55 -3.607 -1.229 -1.336 1.00 0.00 C ATOM 837 C GLY A 55 -4.658 -1.237 -0.243 1.00 0.00 C ATOM 838 O GLY A 55 -5.551 -0.390 -0.224 1.00 0.00 O ATOM 0 H GLY A 55 -4.107 0.655 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.507 -2.233 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.641 -0.964 -0.905 1.00 0.00 H new ATOM 842 N VAL A 56 -4.554 -2.200 0.667 1.00 0.00 N ATOM 843 CA VAL A 56 -5.504 -2.317 1.767 1.00 0.00 C ATOM 844 C VAL A 56 -4.819 -2.091 3.110 1.00 0.00 C ATOM 845 O VAL A 56 -3.787 -2.695 3.402 1.00 0.00 O ATOM 846 CB VAL A 56 -6.184 -3.699 1.777 1.00 0.00 C ATOM 847 CG1 VAL A 56 -7.033 -3.867 3.028 1.00 0.00 C ATOM 848 CG2 VAL A 56 -7.025 -3.885 0.524 1.00 0.00 C ATOM 0 H VAL A 56 -3.822 -2.910 0.664 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.262 -1.549 1.614 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.410 -4.467 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.506 -4.849 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.401 -3.778 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.802 -3.095 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.499 -4.866 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.793 -3.112 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.387 -3.810 -0.357 1.00 0.00 H new ATOM 858 N MET A 57 -5.401 -1.217 3.925 1.00 0.00 N ATOM 859 CA MET A 57 -4.846 -0.912 5.240 1.00 0.00 C ATOM 860 C MET A 57 -5.951 -0.836 6.290 1.00 0.00 C ATOM 861 O MET A 57 -6.914 -0.085 6.139 1.00 0.00 O ATOM 862 CB MET A 57 -4.075 0.407 5.198 1.00 0.00 C ATOM 863 CG MET A 57 -3.075 0.563 6.333 1.00 0.00 C ATOM 864 SD MET A 57 -3.842 1.144 7.859 1.00 0.00 S ATOM 865 CE MET A 57 -3.434 2.886 7.800 1.00 0.00 C ATOM 0 H MET A 57 -6.255 -0.708 3.699 1.00 0.00 H new ATOM 0 HA MET A 57 -4.162 -1.715 5.514 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.547 0.480 4.247 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.784 1.234 5.233 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.588 -0.395 6.517 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.296 1.264 6.032 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.841 3.385 8.680 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.351 3.006 7.784 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.862 3.330 6.901 1.00 0.00 H new ATOM 875 N ASN A 58 -5.802 -1.617 7.356 1.00 0.00 N ATOM 876 CA ASN A 58 -6.789 -1.638 8.430 1.00 0.00 C ATOM 877 C ASN A 58 -8.194 -1.848 7.876 1.00 0.00 C ATOM 878 O ASN A 58 -9.159 -1.260 8.363 1.00 0.00 O ATOM 879 CB ASN A 58 -6.733 -0.332 9.227 1.00 0.00 C ATOM 880 CG ASN A 58 -7.595 -0.378 10.472 1.00 0.00 C ATOM 881 OD1 ASN A 58 -7.364 -1.186 11.371 1.00 0.00 O ATOM 882 ND2 ASN A 58 -8.597 0.492 10.531 1.00 0.00 N ATOM 0 H ASN A 58 -5.009 -2.242 7.499 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.551 -2.471 9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.701 -0.126 9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.059 0.492 8.593 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.211 0.508 11.345 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.752 1.144 9.762 1.00 0.00 H new ATOM 889 N GLY A 59 -8.301 -2.691 6.853 1.00 0.00 N ATOM 890 CA GLY A 59 -9.592 -2.965 6.249 1.00 0.00 C ATOM 891 C GLY A 59 -9.998 -1.905 5.243 1.00 0.00 C ATOM 892 O GLY A 59 -10.687 -2.198 4.266 1.00 0.00 O ATOM 0 H GLY A 59 -7.517 -3.189 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.560 -3.936 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.349 -3.029 7.030 1.00 0.00 H new ATOM 896 N VAL A 60 -9.571 -0.670 5.483 1.00 0.00 N ATOM 897 CA VAL A 60 -9.894 0.436 4.590 1.00 0.00 C ATOM 898 C VAL A 60 -8.957 0.465 3.389 1.00 0.00 C ATOM 899 O VAL A 60 -7.738 0.367 3.535 1.00 0.00 O ATOM 900 CB VAL A 60 -9.814 1.789 5.322 1.00 0.00 C ATOM 901 CG1 VAL A 60 -10.070 2.936 4.355 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.802 1.827 6.478 1.00 0.00 C ATOM 0 H VAL A 60 -9.001 -0.410 6.288 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.916 0.277 4.246 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.809 1.904 5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.009 3.884 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.321 2.918 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.063 2.829 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.733 2.790 6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.814 1.690 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.569 1.029 7.183 1.00 0.00 H new ATOM 912 N THR A 61 -9.532 0.603 2.198 1.00 0.00 N ATOM 913 CA THR A 61 -8.748 0.645 0.970 1.00 0.00 C ATOM 914 C THR A 61 -8.849 2.009 0.300 1.00 0.00 C ATOM 915 O THR A 61 -9.893 2.657 0.343 1.00 0.00 O ATOM 916 CB THR A 61 -9.206 -0.438 -0.026 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.293 -1.706 0.636 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.241 -0.539 -1.198 1.00 0.00 C ATOM 0 H THR A 61 -10.539 0.688 2.058 1.00 0.00 H new ATOM 0 HA THR A 61 -7.712 0.456 1.250 1.00 0.00 H new ATOM 0 HB THR A 61 -10.188 -0.158 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.735 -2.353 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.585 -1.310 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.197 0.419 -1.717 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.248 -0.798 -0.830 1.00 0.00 H new ATOM 926 N GLY A 62 -7.756 2.441 -0.323 1.00 0.00 N ATOM 927 CA GLY A 62 -7.744 3.727 -0.995 1.00 0.00 C ATOM 928 C GLY A 62 -6.516 3.915 -1.864 1.00 0.00 C ATOM 929 O GLY A 62 -5.429 3.445 -1.528 1.00 0.00 O ATOM 0 H GLY A 62 -6.879 1.923 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.639 3.820 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.784 4.523 -0.251 1.00 0.00 H new ATOM 933 N LEU A 63 -6.690 4.602 -2.988 1.00 0.00 N ATOM 934 CA LEU A 63 -5.588 4.849 -3.912 1.00 0.00 C ATOM 935 C LEU A 63 -4.560 5.792 -3.293 1.00 0.00 C ATOM 936 O LEU A 63 -4.892 6.903 -2.880 1.00 0.00 O ATOM 937 CB LEU A 63 -6.114 5.439 -5.221 1.00 0.00 C ATOM 938 CG LEU A 63 -6.807 4.459 -6.169 1.00 0.00 C ATOM 939 CD1 LEU A 63 -5.822 3.412 -6.665 1.00 0.00 C ATOM 940 CD2 LEU A 63 -7.990 3.796 -5.478 1.00 0.00 C ATOM 0 H LEU A 63 -7.583 4.998 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.102 3.896 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.815 6.238 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.279 5.897 -5.751 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.179 5.015 -7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.332 2.723 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.007 3.902 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.420 2.859 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.471 3.102 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.641 3.252 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.706 4.558 -5.171 1.00 0.00 H new ATOM 952 N PHE A 64 -3.311 5.342 -3.234 1.00 0.00 N ATOM 953 CA PHE A 64 -2.235 6.145 -2.667 1.00 0.00 C ATOM 954 C PHE A 64 -1.100 6.323 -3.673 1.00 0.00 C ATOM 955 O PHE A 64 -0.883 5.491 -4.554 1.00 0.00 O ATOM 956 CB PHE A 64 -1.702 5.493 -1.390 1.00 0.00 C ATOM 957 CG PHE A 64 -1.046 4.162 -1.625 1.00 0.00 C ATOM 958 CD1 PHE A 64 0.281 4.089 -2.017 1.00 0.00 C ATOM 959 CD2 PHE A 64 -1.757 2.986 -1.452 1.00 0.00 C ATOM 960 CE1 PHE A 64 0.887 2.866 -2.234 1.00 0.00 C ATOM 961 CE2 PHE A 64 -1.156 1.759 -1.666 1.00 0.00 C ATOM 962 CZ PHE A 64 0.167 1.700 -2.059 1.00 0.00 C ATOM 0 H PHE A 64 -3.019 4.425 -3.572 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.639 7.128 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.984 6.165 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.525 5.364 -0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.848 4.998 -2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.792 3.028 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.922 2.822 -2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.720 0.849 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.638 0.743 -2.229 1.00 0.00 H new ATOM 972 N PRO A 65 -0.361 7.434 -3.539 1.00 0.00 N ATOM 973 CA PRO A 65 0.762 7.748 -4.426 1.00 0.00 C ATOM 974 C PRO A 65 1.949 6.814 -4.211 1.00 0.00 C ATOM 975 O PRO A 65 2.291 6.477 -3.078 1.00 0.00 O ATOM 976 CB PRO A 65 1.133 9.181 -4.037 1.00 0.00 C ATOM 977 CG PRO A 65 0.669 9.323 -2.628 1.00 0.00 C ATOM 978 CD PRO A 65 -0.564 8.469 -2.510 1.00 0.00 C ATOM 0 HA PRO A 65 0.495 7.633 -5.477 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.207 9.348 -4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.647 9.907 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.439 8.996 -1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.447 10.364 -2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.658 8.034 -1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.471 9.045 -2.693 1.00 0.00 H new ATOM 986 N GLY A 66 2.575 6.398 -5.308 1.00 0.00 N ATOM 987 CA GLY A 66 3.717 5.507 -5.218 1.00 0.00 C ATOM 988 C GLY A 66 5.016 6.251 -4.971 1.00 0.00 C ATOM 989 O GLY A 66 6.085 5.800 -5.381 1.00 0.00 O ATOM 0 H GLY A 66 2.312 6.662 -6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.553 4.791 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.800 4.934 -6.141 1.00 0.00 H new ATOM 993 N ASN A 67 4.922 7.394 -4.301 1.00 0.00 N ATOM 994 CA ASN A 67 6.098 8.205 -4.003 1.00 0.00 C ATOM 995 C ASN A 67 6.320 8.307 -2.496 1.00 0.00 C ATOM 996 O ASN A 67 7.458 8.344 -2.027 1.00 0.00 O ATOM 997 CB ASN A 67 5.946 9.603 -4.604 1.00 0.00 C ATOM 998 CG ASN A 67 6.370 9.657 -6.058 1.00 0.00 C ATOM 999 OD1 ASN A 67 5.729 9.063 -6.925 1.00 0.00 O ATOM 1000 ND2 ASN A 67 7.457 10.371 -6.332 1.00 0.00 N ATOM 0 H ASN A 67 4.044 7.780 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 67 6.966 7.719 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.907 9.921 -4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.543 10.310 -4.028 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.791 10.443 -7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.957 10.847 -5.581 1.00 0.00 H new ATOM 1007 N TYR A 68 5.227 8.351 -1.745 1.00 0.00 N ATOM 1008 CA TYR A 68 5.301 8.451 -0.292 1.00 0.00 C ATOM 1009 C TYR A 68 5.629 7.097 0.332 1.00 0.00 C ATOM 1010 O TYR A 68 5.694 6.963 1.553 1.00 0.00 O ATOM 1011 CB TYR A 68 3.981 8.978 0.273 1.00 0.00 C ATOM 1012 CG TYR A 68 3.806 10.470 0.113 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.689 11.046 -1.148 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.761 11.308 1.220 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.530 12.409 -1.298 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.601 12.673 1.079 1.00 0.00 C ATOM 1017 CZ TYR A 68 3.486 13.219 -0.182 1.00 0.00 C ATOM 1018 OH TYR A 68 3.329 14.578 -0.329 1.00 0.00 O ATOM 0 H TYR A 68 4.278 8.319 -2.118 1.00 0.00 H new ATOM 0 HA TYR A 68 6.100 9.149 -0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.154 8.469 -0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.922 8.725 1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.723 10.416 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.853 10.885 2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.440 12.839 -2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.566 13.309 1.951 1.00 0.00 H new ATOM 0 HH TYR A 68 3.317 15.003 0.554 1.00 0.00 H new ATOM 1028 N VAL A 69 5.836 6.096 -0.519 1.00 0.00 N ATOM 1029 CA VAL A 69 6.158 4.753 -0.054 1.00 0.00 C ATOM 1030 C VAL A 69 7.513 4.299 -0.585 1.00 0.00 C ATOM 1031 O VAL A 69 8.173 5.023 -1.329 1.00 0.00 O ATOM 1032 CB VAL A 69 5.086 3.737 -0.485 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.810 3.932 0.321 1.00 0.00 C ATOM 1034 CG2 VAL A 69 4.806 3.855 -1.976 1.00 0.00 C ATOM 0 H VAL A 69 5.786 6.191 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 69 6.191 4.795 1.035 1.00 0.00 H new ATOM 0 HB VAL A 69 5.463 2.734 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.063 3.205 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.024 3.792 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.427 4.940 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.045 3.129 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.450 4.860 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.722 3.661 -2.535 1.00 0.00 H new ATOM 1044 N GLU A 70 7.923 3.097 -0.195 1.00 0.00 N ATOM 1045 CA GLU A 70 9.202 2.545 -0.631 1.00 0.00 C ATOM 1046 C GLU A 70 9.091 1.046 -0.880 1.00 0.00 C ATOM 1047 O GLU A 70 8.690 0.287 0.003 1.00 0.00 O ATOM 1048 CB GLU A 70 10.284 2.824 0.413 1.00 0.00 C ATOM 1049 CG GLU A 70 11.696 2.777 -0.146 1.00 0.00 C ATOM 1050 CD GLU A 70 12.737 2.496 0.919 1.00 0.00 C ATOM 1051 OE1 GLU A 70 13.152 3.450 1.610 1.00 0.00 O ATOM 1052 OE2 GLU A 70 13.138 1.322 1.061 1.00 0.00 O ATOM 0 H GLU A 70 7.389 2.486 0.422 1.00 0.00 H new ATOM 0 HA GLU A 70 9.479 3.030 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.109 3.806 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.197 2.095 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.752 2.007 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.923 3.728 -0.629 1.00 0.00 H new ATOM 1059 N SER A 71 9.450 0.623 -2.088 1.00 0.00 N ATOM 1060 CA SER A 71 9.387 -0.786 -2.456 1.00 0.00 C ATOM 1061 C SER A 71 10.480 -1.582 -1.747 1.00 0.00 C ATOM 1062 O SER A 71 11.650 -1.524 -2.129 1.00 0.00 O ATOM 1063 CB SER A 71 9.525 -0.947 -3.971 1.00 0.00 C ATOM 1064 OG SER A 71 8.409 -0.392 -4.647 1.00 0.00 O ATOM 0 H SER A 71 9.788 1.237 -2.829 1.00 0.00 H new ATOM 0 HA SER A 71 8.417 -1.174 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.439 -0.459 -4.310 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.617 -2.004 -4.221 1.00 0.00 H new ATOM 0 HG SER A 71 8.522 -0.506 -5.614 1.00 0.00 H new ATOM 1070 N ILE A 72 10.090 -2.322 -0.716 1.00 0.00 N ATOM 1071 CA ILE A 72 11.035 -3.129 0.045 1.00 0.00 C ATOM 1072 C ILE A 72 11.136 -4.541 -0.524 1.00 0.00 C ATOM 1073 O ILE A 72 12.177 -5.189 -0.424 1.00 0.00 O ATOM 1074 CB ILE A 72 10.638 -3.213 1.530 1.00 0.00 C ATOM 1075 CG1 ILE A 72 9.202 -3.726 1.667 1.00 0.00 C ATOM 1076 CG2 ILE A 72 10.785 -1.852 2.195 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.771 -3.937 3.102 1.00 0.00 C ATOM 0 H ILE A 72 9.126 -2.380 -0.388 1.00 0.00 H new ATOM 0 HA ILE A 72 12.004 -2.637 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 72 11.305 -3.915 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.524 -3.016 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.108 -4.667 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.501 -1.927 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.821 -1.522 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 72 10.139 -1.131 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.744 -4.301 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.425 -4.670 3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.833 -2.993 3.643 1.00 0.00 H new ATOM 1089 N SER A 73 10.045 -5.010 -1.122 1.00 0.00 N ATOM 1090 CA SER A 73 10.009 -6.347 -1.705 1.00 0.00 C ATOM 1091 C SER A 73 11.231 -6.589 -2.584 1.00 0.00 C ATOM 1092 O SER A 73 11.568 -5.770 -3.439 1.00 0.00 O ATOM 1093 CB SER A 73 8.731 -6.534 -2.525 1.00 0.00 C ATOM 1094 OG SER A 73 8.621 -7.863 -3.002 1.00 0.00 O ATOM 0 H SER A 73 9.175 -4.485 -1.216 1.00 0.00 H new ATOM 0 HA SER A 73 10.019 -7.072 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.863 -6.291 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.730 -5.841 -3.366 1.00 0.00 H new ATOM 0 HG SER A 73 7.795 -7.957 -3.521 1.00 0.00 H new ATOM 1100 N GLY A 74 11.894 -7.721 -2.369 1.00 0.00 N ATOM 1101 CA GLY A 74 13.072 -8.053 -3.149 1.00 0.00 C ATOM 1102 C GLY A 74 12.803 -8.035 -4.641 1.00 0.00 C ATOM 1103 O GLY A 74 11.655 -8.049 -5.087 1.00 0.00 O ATOM 0 H GLY A 74 11.636 -8.415 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.868 -7.346 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.429 -9.041 -2.859 1.00 0.00 H new ATOM 1107 N PRO A 75 13.879 -8.004 -5.440 1.00 0.00 N ATOM 1108 CA PRO A 75 13.780 -7.984 -6.902 1.00 0.00 C ATOM 1109 C PRO A 75 13.277 -9.307 -7.468 1.00 0.00 C ATOM 1110 O PRO A 75 13.130 -10.287 -6.739 1.00 0.00 O ATOM 1111 CB PRO A 75 15.220 -7.722 -7.352 1.00 0.00 C ATOM 1112 CG PRO A 75 16.064 -8.231 -6.234 1.00 0.00 C ATOM 1113 CD PRO A 75 15.277 -7.987 -4.977 1.00 0.00 C ATOM 0 HA PRO A 75 13.067 -7.237 -7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.444 -8.240 -8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.393 -6.660 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.280 -9.292 -6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.022 -7.713 -6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.462 -8.760 -4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.537 -7.033 -4.519 1.00 0.00 H new ATOM 1121 N SER A 76 13.016 -9.326 -8.771 1.00 0.00 N ATOM 1122 CA SER A 76 12.526 -10.529 -9.434 1.00 0.00 C ATOM 1123 C SER A 76 13.608 -11.140 -10.320 1.00 0.00 C ATOM 1124 O SER A 76 13.945 -12.317 -10.188 1.00 0.00 O ATOM 1125 CB SER A 76 11.287 -10.208 -10.271 1.00 0.00 C ATOM 1126 OG SER A 76 10.215 -9.777 -9.449 1.00 0.00 O ATOM 0 H SER A 76 13.135 -8.523 -9.388 1.00 0.00 H new ATOM 0 HA SER A 76 12.258 -11.254 -8.665 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.526 -9.432 -10.999 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.986 -11.091 -10.834 1.00 0.00 H new ATOM 0 HG SER A 76 9.435 -9.576 -10.007 1.00 0.00 H new ATOM 1132 N SER A 77 14.149 -10.330 -11.227 1.00 0.00 N ATOM 1133 CA SER A 77 15.188 -10.790 -12.138 1.00 0.00 C ATOM 1134 C SER A 77 16.364 -11.383 -11.367 1.00 0.00 C ATOM 1135 O SER A 77 17.206 -10.657 -10.841 1.00 0.00 O ATOM 1136 CB SER A 77 15.671 -9.635 -13.018 1.00 0.00 C ATOM 1137 OG SER A 77 16.051 -8.519 -12.231 1.00 0.00 O ATOM 0 H SER A 77 13.884 -9.353 -11.349 1.00 0.00 H new ATOM 0 HA SER A 77 14.763 -11.568 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.517 -9.963 -13.622 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.880 -9.344 -13.709 1.00 0.00 H new ATOM 0 HG SER A 77 16.582 -8.824 -11.466 1.00 0.00 H new ATOM 1143 N GLY A 78 16.414 -12.711 -11.304 1.00 0.00 N ATOM 1144 CA GLY A 78 17.488 -13.380 -10.596 1.00 0.00 C ATOM 1145 C GLY A 78 18.720 -13.571 -11.457 1.00 0.00 C ATOM 1146 O GLY A 78 19.642 -14.295 -11.082 1.00 0.00 O ATOM 0 H GLY A 78 15.729 -13.334 -11.731 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.753 -12.800 -9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.139 -14.352 -10.247 1.00 0.00 H new TER 1150 GLY A 78