USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot -101:sc= 0.59 USER MOD Set 1.2: A 81 ASN :FLIP amide:sc= -1.96 F(o=-7.2!,f=-1.4) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -23.2! C(o=-23!,f=-32!) USER MOD Set 2.2: A 51 TYR OH : rot 164:sc= 0.00562! USER MOD Set 2.3: A 82 SER OG : rot -50:sc= -0.219! USER MOD Single : A 1 SER N :NH3+ -126:sc= 0.694 (180deg=0) USER MOD Single : A 1 SER OG : rot 170:sc= 0.239 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 168:sc= -5.11! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-10!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.4 K(o=-0.4,f=-5!) USER MOD Single : A 22 SER OG : rot 180:sc= -1.56! USER MOD Single : A 24 MET CE :methyl -103:sc= -3.57! (180deg=-7.72!) USER MOD Single : A 25 GLN : amide:sc= -0.427 K(o=-0.43,f=-3.3!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -12.6! C(o=-13!,f=-13!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 118:sc= -3.55! USER MOD Single : A 53 ASN : amide:sc= -2.58 K(o=-2.6,f=-4.6!) USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= -0.28 (180deg=-1.31!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.355 F(o=-1.6,f=-0.35) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 82:sc= -0.855! USER MOD Single : A 79 LYS NZ :NH3+ -119:sc= -3.63! (180deg=-8.53!) USER MOD Single : A 85 CYS SG : rot 40:sc= -3.1! USER MOD Single : A 87 GLN :FLIP amide:sc= -1.83! C(o=-2.6!,f=-1.8!) USER MOD Single : A 90 MET CE :methyl -128:sc= -12.2! (180deg=-14.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0923 USER MOD Single : A 105 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.0081) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.738 18.318 15.596 1.00 0.00 N ATOM 2 CA SER A 1 15.302 18.335 15.198 1.00 0.00 C ATOM 3 C SER A 1 14.947 19.710 14.629 1.00 0.00 C ATOM 4 O SER A 1 15.718 20.645 14.711 1.00 0.00 O ATOM 5 CB SER A 1 14.431 18.053 16.423 1.00 0.00 C ATOM 6 OG SER A 1 15.257 17.954 17.575 1.00 0.00 O ATOM 0 H1 SER A 1 17.216 17.518 15.135 1.00 0.00 H new ATOM 0 H2 SER A 1 17.190 19.207 15.302 1.00 0.00 H new ATOM 0 H3 SER A 1 16.811 18.217 16.629 1.00 0.00 H new ATOM 0 HA SER A 1 15.126 17.571 14.441 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.699 18.850 16.554 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.873 17.128 16.281 1.00 0.00 H new ATOM 0 HG SER A 1 14.697 17.935 18.379 1.00 0.00 H new ATOM 14 N LYS A 2 13.784 19.840 14.052 1.00 0.00 N ATOM 15 CA LYS A 2 13.379 21.152 13.480 1.00 0.00 C ATOM 16 C LYS A 2 11.913 21.417 13.821 1.00 0.00 C ATOM 17 O LYS A 2 11.168 20.512 14.141 1.00 0.00 O ATOM 18 CB LYS A 2 13.550 21.119 11.962 1.00 0.00 C ATOM 19 CG LYS A 2 14.424 22.294 11.519 1.00 0.00 C ATOM 20 CD LYS A 2 15.066 21.972 10.168 1.00 0.00 C ATOM 21 CE LYS A 2 14.023 22.122 9.058 1.00 0.00 C ATOM 22 NZ LYS A 2 14.380 21.233 7.917 1.00 0.00 N ATOM 0 H LYS A 2 13.097 19.093 13.953 1.00 0.00 H new ATOM 0 HA LYS A 2 14.002 21.943 13.898 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.007 20.177 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.576 21.173 11.475 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.822 23.199 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.196 22.488 12.264 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.907 22.641 9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.462 20.957 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.034 21.865 9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.978 23.159 8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.671 21.335 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.316 21.498 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.402 20.245 8.240 1.00 0.00 H new ATOM 36 N VAL A 3 11.496 22.650 13.773 1.00 0.00 N ATOM 37 CA VAL A 3 10.088 22.967 14.111 1.00 0.00 C ATOM 38 C VAL A 3 9.689 24.299 13.463 1.00 0.00 C ATOM 39 O VAL A 3 10.378 25.289 13.585 1.00 0.00 O ATOM 40 CB VAL A 3 9.980 23.035 15.640 1.00 0.00 C ATOM 41 CG1 VAL A 3 9.065 24.179 16.085 1.00 0.00 C ATOM 42 CG2 VAL A 3 9.421 21.711 16.140 1.00 0.00 C ATOM 0 H VAL A 3 12.072 23.451 13.514 1.00 0.00 H new ATOM 0 HA VAL A 3 9.410 22.202 13.732 1.00 0.00 H new ATOM 0 HB VAL A 3 10.970 23.220 16.057 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.010 24.199 17.173 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.465 25.126 15.724 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.067 24.027 15.674 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.336 21.739 17.226 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.436 21.544 15.703 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.089 20.901 15.849 1.00 0.00 H new ATOM 52 N VAL A 4 8.574 24.329 12.786 1.00 0.00 N ATOM 53 CA VAL A 4 8.126 25.596 12.140 1.00 0.00 C ATOM 54 C VAL A 4 6.677 25.874 12.540 1.00 0.00 C ATOM 55 O VAL A 4 5.873 24.975 12.626 1.00 0.00 O ATOM 56 CB VAL A 4 8.222 25.448 10.618 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.586 26.661 9.936 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.693 25.350 10.209 1.00 0.00 C ATOM 0 H VAL A 4 7.953 23.531 12.652 1.00 0.00 H new ATOM 0 HA VAL A 4 8.759 26.423 12.463 1.00 0.00 H new ATOM 0 HB VAL A 4 7.694 24.545 10.311 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.658 26.549 8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.537 26.732 10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.109 27.567 10.243 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.763 25.245 9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.218 26.253 10.521 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.147 24.483 10.688 1.00 0.00 H new ATOM 68 N TYR A 5 6.333 27.109 12.787 1.00 0.00 N ATOM 69 CA TYR A 5 4.928 27.418 13.178 1.00 0.00 C ATOM 70 C TYR A 5 4.239 28.152 12.036 1.00 0.00 C ATOM 71 O TYR A 5 4.872 28.785 11.215 1.00 0.00 O ATOM 72 CB TYR A 5 4.885 28.330 14.411 1.00 0.00 C ATOM 73 CG TYR A 5 5.652 27.732 15.565 1.00 0.00 C ATOM 74 CD1 TYR A 5 7.001 27.387 15.423 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.008 27.537 16.791 1.00 0.00 C ATOM 76 CE1 TYR A 5 7.699 26.848 16.506 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.709 26.998 17.872 1.00 0.00 C ATOM 78 CZ TYR A 5 7.056 26.654 17.730 1.00 0.00 C ATOM 79 OH TYR A 5 7.750 26.122 18.798 1.00 0.00 O ATOM 0 H TYR A 5 6.959 27.912 12.735 1.00 0.00 H new ATOM 0 HA TYR A 5 4.428 26.476 13.404 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.304 29.304 14.160 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.849 28.495 14.707 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.501 27.537 14.478 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.967 27.804 16.902 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.740 26.580 16.396 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.210 26.847 18.818 1.00 0.00 H new ATOM 0 HH TYR A 5 7.222 26.229 19.617 1.00 0.00 H new ATOM 89 N VAL A 6 2.943 28.093 11.995 1.00 0.00 N ATOM 90 CA VAL A 6 2.201 28.808 10.926 1.00 0.00 C ATOM 91 C VAL A 6 1.047 29.567 11.557 1.00 0.00 C ATOM 92 O VAL A 6 0.297 29.023 12.337 1.00 0.00 O ATOM 93 CB VAL A 6 1.619 27.814 9.918 1.00 0.00 C ATOM 94 CG1 VAL A 6 1.299 28.543 8.611 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.623 26.695 9.651 1.00 0.00 C ATOM 0 H VAL A 6 2.362 27.579 12.658 1.00 0.00 H new ATOM 0 HA VAL A 6 2.887 29.484 10.415 1.00 0.00 H new ATOM 0 HB VAL A 6 0.706 27.381 10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.884 27.836 7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.573 29.333 8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.211 28.980 8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.202 25.992 8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.542 27.119 9.247 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.843 26.174 10.583 1.00 0.00 H new ATOM 105 N SER A 7 0.868 30.804 11.210 1.00 0.00 N ATOM 106 CA SER A 7 -0.271 31.542 11.770 1.00 0.00 C ATOM 107 C SER A 7 -1.488 31.102 10.981 1.00 0.00 C ATOM 108 O SER A 7 -1.390 30.260 10.110 1.00 0.00 O ATOM 109 CB SER A 7 -0.057 33.045 11.597 1.00 0.00 C ATOM 110 OG SER A 7 0.163 33.639 12.869 1.00 0.00 O ATOM 0 H SER A 7 1.461 31.328 10.566 1.00 0.00 H new ATOM 0 HA SER A 7 -0.389 31.342 12.835 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.796 33.229 10.945 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.927 33.495 11.119 1.00 0.00 H new ATOM 0 HG SER A 7 0.302 34.603 12.760 1.00 0.00 H new ATOM 116 N HIS A 8 -2.624 31.654 11.252 1.00 0.00 N ATOM 117 CA HIS A 8 -3.818 31.251 10.478 1.00 0.00 C ATOM 118 C HIS A 8 -3.422 31.303 9.008 1.00 0.00 C ATOM 119 O HIS A 8 -2.416 31.884 8.659 1.00 0.00 O ATOM 120 CB HIS A 8 -5.017 32.185 10.730 1.00 0.00 C ATOM 121 CG HIS A 8 -4.851 32.965 12.008 1.00 0.00 C ATOM 122 ND1 HIS A 8 -3.931 33.987 12.129 1.00 0.00 N ATOM 123 CD2 HIS A 8 -5.498 32.897 13.218 1.00 0.00 C ATOM 124 CE1 HIS A 8 -4.045 34.495 13.370 1.00 0.00 C ATOM 125 NE2 HIS A 8 -4.986 33.865 14.077 1.00 0.00 N ATOM 0 H HIS A 8 -2.780 32.362 11.970 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.134 30.253 10.782 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.124 32.875 9.893 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.934 31.597 10.778 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -3.282 34.301 11.408 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.284 32.199 13.465 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.448 35.312 13.748 1.00 0.00 H new ATOM 133 N ASP A 9 -4.181 30.678 8.173 1.00 0.00 N ATOM 134 CA ASP A 9 -3.862 30.642 6.707 1.00 0.00 C ATOM 135 C ASP A 9 -3.109 31.911 6.282 1.00 0.00 C ATOM 136 O ASP A 9 -3.709 32.903 5.917 1.00 0.00 O ATOM 137 CB ASP A 9 -5.164 30.538 5.910 1.00 0.00 C ATOM 138 CG ASP A 9 -4.931 29.685 4.661 1.00 0.00 C ATOM 139 OD1 ASP A 9 -3.817 29.690 4.164 1.00 0.00 O ATOM 140 OD2 ASP A 9 -5.871 29.043 4.222 1.00 0.00 O ATOM 0 H ASP A 9 -5.029 30.176 8.435 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.229 29.777 6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.946 30.094 6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.509 31.532 5.625 1.00 0.00 H new ATOM 145 N GLY A 10 -1.797 31.891 6.332 1.00 0.00 N ATOM 146 CA GLY A 10 -1.025 33.105 5.933 1.00 0.00 C ATOM 147 C GLY A 10 0.467 32.771 5.794 1.00 0.00 C ATOM 148 O GLY A 10 0.917 32.319 4.760 1.00 0.00 O ATOM 0 H GLY A 10 -1.235 31.093 6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.407 33.492 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.160 33.890 6.677 1.00 0.00 H new ATOM 152 N THR A 11 1.238 33.005 6.824 1.00 0.00 N ATOM 153 CA THR A 11 2.700 32.721 6.753 1.00 0.00 C ATOM 154 C THR A 11 3.101 31.801 7.903 1.00 0.00 C ATOM 155 O THR A 11 2.278 31.341 8.665 1.00 0.00 O ATOM 156 CB THR A 11 3.473 34.040 6.862 1.00 0.00 C ATOM 157 OG1 THR A 11 2.742 35.070 6.213 1.00 0.00 O ATOM 158 CG2 THR A 11 4.845 33.892 6.200 1.00 0.00 C ATOM 0 H THR A 11 0.915 33.382 7.715 1.00 0.00 H new ATOM 0 HA THR A 11 2.932 32.234 5.806 1.00 0.00 H new ATOM 0 HB THR A 11 3.607 34.294 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.234 35.915 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.391 34.832 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.407 33.103 6.699 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.716 33.636 5.148 1.00 0.00 H new ATOM 166 N ARG A 12 4.367 31.530 8.022 1.00 0.00 N ATOM 167 CA ARG A 12 4.848 30.635 9.115 1.00 0.00 C ATOM 168 C ARG A 12 6.326 30.920 9.411 1.00 0.00 C ATOM 169 O ARG A 12 7.114 31.149 8.515 1.00 0.00 O ATOM 170 CB ARG A 12 4.694 29.176 8.675 1.00 0.00 C ATOM 171 CG ARG A 12 4.941 29.067 7.169 1.00 0.00 C ATOM 172 CD ARG A 12 4.633 27.644 6.702 1.00 0.00 C ATOM 173 NE ARG A 12 5.175 27.443 5.328 1.00 0.00 N ATOM 174 CZ ARG A 12 5.297 26.238 4.840 1.00 0.00 C ATOM 175 NH1 ARG A 12 4.945 25.202 5.553 1.00 0.00 N ATOM 176 NH2 ARG A 12 5.772 26.068 3.637 1.00 0.00 N ATOM 0 H ARG A 12 5.097 31.890 7.407 1.00 0.00 H new ATOM 0 HA ARG A 12 4.260 30.817 10.015 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.400 28.546 9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.694 28.816 8.917 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.313 29.780 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.976 29.320 6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.075 26.921 7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.557 27.473 6.708 1.00 0.00 H new ATOM 0 HE ARG A 12 5.451 28.249 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.574 25.333 6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.042 24.262 5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.048 26.876 3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.868 25.127 3.255 1.00 0.00 H new ATOM 190 N ARG A 13 6.710 30.895 10.662 1.00 0.00 N ATOM 191 CA ARG A 13 8.143 31.149 11.012 1.00 0.00 C ATOM 192 C ARG A 13 8.830 29.809 11.268 1.00 0.00 C ATOM 193 O ARG A 13 8.201 28.770 11.262 1.00 0.00 O ATOM 194 CB ARG A 13 8.256 32.027 12.271 1.00 0.00 C ATOM 195 CG ARG A 13 6.880 32.226 12.915 1.00 0.00 C ATOM 196 CD ARG A 13 6.931 33.421 13.869 1.00 0.00 C ATOM 197 NE ARG A 13 6.013 34.487 13.378 1.00 0.00 N ATOM 198 CZ ARG A 13 5.664 35.467 14.168 1.00 0.00 C ATOM 199 NH1 ARG A 13 6.118 35.518 15.392 1.00 0.00 N ATOM 200 NH2 ARG A 13 4.859 36.398 13.734 1.00 0.00 N ATOM 0 H ARG A 13 6.096 30.710 11.455 1.00 0.00 H new ATOM 0 HA ARG A 13 8.621 31.673 10.185 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.934 31.561 12.986 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.684 32.994 12.009 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.127 32.394 12.145 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.587 31.327 13.457 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.642 33.111 14.873 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.949 33.805 13.935 1.00 0.00 H new ATOM 0 HE ARG A 13 5.656 34.451 12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.747 34.791 15.733 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.843 36.285 16.006 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.503 36.360 12.779 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.586 37.164 14.350 1.00 0.00 H new ATOM 214 N GLN A 14 10.116 29.815 11.484 1.00 0.00 N ATOM 215 CA GLN A 14 10.827 28.526 11.725 1.00 0.00 C ATOM 216 C GLN A 14 11.707 28.616 12.976 1.00 0.00 C ATOM 217 O GLN A 14 12.030 29.686 13.454 1.00 0.00 O ATOM 218 CB GLN A 14 11.703 28.200 10.514 1.00 0.00 C ATOM 219 CG GLN A 14 12.721 29.322 10.303 1.00 0.00 C ATOM 220 CD GLN A 14 12.285 30.192 9.122 1.00 0.00 C ATOM 221 OE1 GLN A 14 11.174 30.683 9.092 1.00 0.00 O ATOM 222 NE2 GLN A 14 13.118 30.405 8.141 1.00 0.00 N ATOM 0 H GLN A 14 10.703 30.649 11.504 1.00 0.00 H new ATOM 0 HA GLN A 14 10.086 27.741 11.876 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.218 27.252 10.669 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.084 28.085 9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.802 29.929 11.205 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.708 28.901 10.113 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.051 29.993 8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.837 30.983 7.349 1.00 0.00 H new ATOM 231 N LEU A 15 12.107 27.484 13.494 1.00 0.00 N ATOM 232 CA LEU A 15 12.983 27.457 14.701 1.00 0.00 C ATOM 233 C LEU A 15 13.366 26.017 15.009 1.00 0.00 C ATOM 234 O LEU A 15 13.032 25.100 14.285 1.00 0.00 O ATOM 235 CB LEU A 15 12.265 28.054 15.915 1.00 0.00 C ATOM 236 CG LEU A 15 10.878 27.443 16.072 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.654 27.093 17.546 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.825 28.459 15.626 1.00 0.00 C ATOM 0 H LEU A 15 11.860 26.565 13.126 1.00 0.00 H new ATOM 0 HA LEU A 15 13.873 28.053 14.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.852 27.874 16.816 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.181 29.135 15.800 1.00 0.00 H new ATOM 0 HG LEU A 15 10.797 26.544 15.462 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.664 26.655 17.669 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.410 26.378 17.869 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.728 27.997 18.150 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.831 28.025 15.737 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.901 29.355 16.242 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.992 28.721 14.581 1.00 0.00 H new ATOM 250 N ASP A 16 14.073 25.819 16.076 1.00 0.00 N ATOM 251 CA ASP A 16 14.496 24.437 16.444 1.00 0.00 C ATOM 252 C ASP A 16 14.204 24.175 17.924 1.00 0.00 C ATOM 253 O ASP A 16 15.042 24.389 18.777 1.00 0.00 O ATOM 254 CB ASP A 16 15.996 24.282 16.188 1.00 0.00 C ATOM 255 CG ASP A 16 16.442 22.877 16.597 1.00 0.00 C ATOM 256 OD1 ASP A 16 16.136 22.480 17.709 1.00 0.00 O ATOM 257 OD2 ASP A 16 17.082 22.222 15.791 1.00 0.00 O ATOM 0 H ASP A 16 14.380 26.552 16.715 1.00 0.00 H new ATOM 0 HA ASP A 16 13.941 23.720 15.839 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.215 24.452 15.134 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.551 25.030 16.754 1.00 0.00 H new ATOM 262 N VAL A 17 13.027 23.702 18.236 1.00 0.00 N ATOM 263 CA VAL A 17 12.695 23.416 19.660 1.00 0.00 C ATOM 264 C VAL A 17 13.762 22.486 20.241 1.00 0.00 C ATOM 265 O VAL A 17 14.297 21.638 19.555 1.00 0.00 O ATOM 266 CB VAL A 17 11.328 22.739 19.736 1.00 0.00 C ATOM 267 CG1 VAL A 17 10.957 22.500 21.201 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.280 23.646 19.087 1.00 0.00 C ATOM 0 H VAL A 17 12.283 23.502 17.567 1.00 0.00 H new ATOM 0 HA VAL A 17 12.668 24.345 20.229 1.00 0.00 H new ATOM 0 HB VAL A 17 11.363 21.784 19.211 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.981 22.017 21.255 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.706 21.859 21.666 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.919 23.454 21.727 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.302 23.167 19.139 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.246 24.599 19.616 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.545 23.819 18.044 1.00 0.00 H new ATOM 278 N ALA A 18 14.083 22.640 21.495 1.00 0.00 N ATOM 279 CA ALA A 18 15.123 21.766 22.108 1.00 0.00 C ATOM 280 C ALA A 18 14.477 20.477 22.617 1.00 0.00 C ATOM 281 O ALA A 18 13.271 20.331 22.617 1.00 0.00 O ATOM 282 CB ALA A 18 15.784 22.501 23.276 1.00 0.00 C ATOM 0 H ALA A 18 13.671 23.332 22.121 1.00 0.00 H new ATOM 0 HA ALA A 18 15.876 21.521 21.359 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.545 21.862 23.724 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.248 23.418 22.913 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.030 22.748 24.024 1.00 0.00 H new ATOM 288 N ASP A 19 15.274 19.542 23.056 1.00 0.00 N ATOM 289 CA ASP A 19 14.717 18.268 23.570 1.00 0.00 C ATOM 290 C ASP A 19 14.254 18.475 25.006 1.00 0.00 C ATOM 291 O ASP A 19 14.997 18.924 25.857 1.00 0.00 O ATOM 292 CB ASP A 19 15.787 17.178 23.532 1.00 0.00 C ATOM 293 CG ASP A 19 16.225 16.940 22.086 1.00 0.00 C ATOM 294 OD1 ASP A 19 15.447 17.240 21.195 1.00 0.00 O ATOM 295 OD2 ASP A 19 17.330 16.462 21.894 1.00 0.00 O ATOM 0 H ASP A 19 16.291 19.610 23.079 1.00 0.00 H new ATOM 0 HA ASP A 19 13.876 17.961 22.948 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.643 17.474 24.138 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.396 16.255 23.961 1.00 0.00 H new ATOM 300 N GLY A 20 13.030 18.156 25.273 1.00 0.00 N ATOM 301 CA GLY A 20 12.490 18.333 26.651 1.00 0.00 C ATOM 302 C GLY A 20 11.876 19.729 26.777 1.00 0.00 C ATOM 303 O GLY A 20 11.736 20.262 27.859 1.00 0.00 O ATOM 0 H GLY A 20 12.369 17.776 24.595 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.738 17.572 26.860 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.286 18.205 27.385 1.00 0.00 H new ATOM 307 N VAL A 21 11.506 20.322 25.675 1.00 0.00 N ATOM 308 CA VAL A 21 10.897 21.681 25.722 1.00 0.00 C ATOM 309 C VAL A 21 9.470 21.602 25.190 1.00 0.00 C ATOM 310 O VAL A 21 9.101 20.658 24.529 1.00 0.00 O ATOM 311 CB VAL A 21 11.708 22.637 24.843 1.00 0.00 C ATOM 312 CG1 VAL A 21 11.521 24.074 25.330 1.00 0.00 C ATOM 313 CG2 VAL A 21 13.189 22.264 24.916 1.00 0.00 C ATOM 0 H VAL A 21 11.600 19.922 24.741 1.00 0.00 H new ATOM 0 HA VAL A 21 10.894 22.046 26.749 1.00 0.00 H new ATOM 0 HB VAL A 21 11.361 22.559 23.813 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.100 24.750 24.701 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.466 24.342 25.275 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.863 24.156 26.362 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.767 22.944 24.290 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.533 22.339 25.948 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.325 21.242 24.562 1.00 0.00 H new ATOM 323 N SER A 22 8.666 22.585 25.458 1.00 0.00 N ATOM 324 CA SER A 22 7.269 22.555 24.946 1.00 0.00 C ATOM 325 C SER A 22 7.185 23.447 23.710 1.00 0.00 C ATOM 326 O SER A 22 7.699 24.547 23.695 1.00 0.00 O ATOM 327 CB SER A 22 6.316 23.077 26.021 1.00 0.00 C ATOM 328 OG SER A 22 6.958 23.015 27.288 1.00 0.00 O ATOM 0 H SER A 22 8.912 23.408 26.008 1.00 0.00 H new ATOM 0 HA SER A 22 6.988 21.534 24.689 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.025 24.103 25.798 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.403 22.482 26.034 1.00 0.00 H new ATOM 0 HG SER A 22 6.350 23.351 27.980 1.00 0.00 H new ATOM 334 N LEU A 23 6.548 22.989 22.669 1.00 0.00 N ATOM 335 CA LEU A 23 6.448 23.831 21.448 1.00 0.00 C ATOM 336 C LEU A 23 6.040 25.245 21.860 1.00 0.00 C ATOM 337 O LEU A 23 6.337 26.210 21.184 1.00 0.00 O ATOM 338 CB LEU A 23 5.410 23.232 20.493 1.00 0.00 C ATOM 339 CG LEU A 23 6.096 22.772 19.200 1.00 0.00 C ATOM 340 CD1 LEU A 23 6.399 23.989 18.327 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.407 22.047 19.531 1.00 0.00 C ATOM 0 H LEU A 23 6.096 22.076 22.612 1.00 0.00 H new ATOM 0 HA LEU A 23 7.409 23.866 20.935 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.909 22.389 20.969 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.643 23.972 20.265 1.00 0.00 H new ATOM 0 HG LEU A 23 5.434 22.090 18.667 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.887 23.665 17.408 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.469 24.502 18.083 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.058 24.669 18.867 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.887 21.724 18.607 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.072 22.724 20.068 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.195 21.177 20.153 1.00 0.00 H new ATOM 353 N MET A 24 5.382 25.378 22.981 1.00 0.00 N ATOM 354 CA MET A 24 4.982 26.732 23.451 1.00 0.00 C ATOM 355 C MET A 24 6.226 27.445 23.984 1.00 0.00 C ATOM 356 O MET A 24 6.488 28.586 23.662 1.00 0.00 O ATOM 357 CB MET A 24 3.944 26.603 24.568 1.00 0.00 C ATOM 358 CG MET A 24 2.806 27.595 24.325 1.00 0.00 C ATOM 359 SD MET A 24 2.500 28.544 25.836 1.00 0.00 S ATOM 360 CE MET A 24 4.046 29.486 25.829 1.00 0.00 C ATOM 0 H MET A 24 5.106 24.607 23.589 1.00 0.00 H new ATOM 0 HA MET A 24 4.547 27.301 22.629 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.553 25.586 24.600 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.409 26.796 25.535 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.064 28.267 23.507 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.902 27.063 24.028 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.733 29.064 26.563 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.498 29.436 24.838 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.840 30.526 26.082 1.00 0.00 H new ATOM 370 N GLN A 25 7.003 26.770 24.791 1.00 0.00 N ATOM 371 CA GLN A 25 8.240 27.397 25.336 1.00 0.00 C ATOM 372 C GLN A 25 9.063 27.961 24.177 1.00 0.00 C ATOM 373 O GLN A 25 9.408 29.125 24.158 1.00 0.00 O ATOM 374 CB GLN A 25 9.062 26.344 26.083 1.00 0.00 C ATOM 375 CG GLN A 25 8.293 25.878 27.320 1.00 0.00 C ATOM 376 CD GLN A 25 9.070 26.263 28.580 1.00 0.00 C ATOM 377 OE1 GLN A 25 10.229 26.618 28.508 1.00 0.00 O ATOM 378 NE2 GLN A 25 8.475 26.209 29.741 1.00 0.00 N ATOM 0 H GLN A 25 6.833 25.811 25.095 1.00 0.00 H new ATOM 0 HA GLN A 25 7.974 28.199 26.025 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.267 25.497 25.429 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.025 26.761 26.377 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.302 26.333 27.338 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.148 24.798 27.285 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.501 25.911 29.802 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.984 26.465 30.587 1.00 0.00 H new ATOM 387 N ALA A 26 9.372 27.148 23.201 1.00 0.00 N ATOM 388 CA ALA A 26 10.159 27.651 22.040 1.00 0.00 C ATOM 389 C ALA A 26 9.408 28.824 21.411 1.00 0.00 C ATOM 390 O ALA A 26 9.998 29.720 20.843 1.00 0.00 O ATOM 391 CB ALA A 26 10.322 26.535 21.006 1.00 0.00 C ATOM 0 H ALA A 26 9.114 26.162 23.159 1.00 0.00 H new ATOM 0 HA ALA A 26 11.145 27.974 22.373 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.898 26.906 20.158 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.845 25.693 21.459 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.340 26.210 20.663 1.00 0.00 H new ATOM 397 N ALA A 27 8.108 28.827 21.518 1.00 0.00 N ATOM 398 CA ALA A 27 7.313 29.942 20.936 1.00 0.00 C ATOM 399 C ALA A 27 7.599 31.225 21.720 1.00 0.00 C ATOM 400 O ALA A 27 7.611 32.306 21.173 1.00 0.00 O ATOM 401 CB ALA A 27 5.823 29.607 21.031 1.00 0.00 C ATOM 0 H ALA A 27 7.562 28.103 21.985 1.00 0.00 H new ATOM 0 HA ALA A 27 7.587 30.083 19.890 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.239 30.423 20.605 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.621 28.689 20.479 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.547 29.470 22.077 1.00 0.00 H new ATOM 407 N VAL A 28 7.826 31.113 22.999 1.00 0.00 N ATOM 408 CA VAL A 28 8.110 32.329 23.813 1.00 0.00 C ATOM 409 C VAL A 28 9.251 33.118 23.167 1.00 0.00 C ATOM 410 O VAL A 28 9.226 34.331 23.107 1.00 0.00 O ATOM 411 CB VAL A 28 8.516 31.912 25.228 1.00 0.00 C ATOM 412 CG1 VAL A 28 8.861 33.156 26.048 1.00 0.00 C ATOM 413 CG2 VAL A 28 7.354 31.171 25.893 1.00 0.00 C ATOM 0 H VAL A 28 7.827 30.234 23.516 1.00 0.00 H new ATOM 0 HA VAL A 28 7.217 32.952 23.860 1.00 0.00 H new ATOM 0 HB VAL A 28 9.386 31.257 25.178 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.150 32.859 27.056 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.688 33.686 25.575 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.991 33.811 26.098 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.642 30.873 26.901 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.485 31.827 25.942 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.106 30.284 25.310 1.00 0.00 H new ATOM 423 N SER A 29 10.250 32.435 22.680 1.00 0.00 N ATOM 424 CA SER A 29 11.395 33.136 22.033 1.00 0.00 C ATOM 425 C SER A 29 11.013 33.521 20.606 1.00 0.00 C ATOM 426 O SER A 29 11.197 34.645 20.181 1.00 0.00 O ATOM 427 CB SER A 29 12.593 32.198 21.982 1.00 0.00 C ATOM 428 OG SER A 29 13.790 32.963 21.926 1.00 0.00 O ATOM 0 H SER A 29 10.323 31.418 22.702 1.00 0.00 H new ATOM 0 HA SER A 29 11.643 34.030 22.605 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.601 31.553 22.861 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.523 31.548 21.110 1.00 0.00 H new ATOM 0 HG SER A 29 14.562 32.360 21.895 1.00 0.00 H new ATOM 434 N ASN A 30 10.480 32.590 19.861 1.00 0.00 N ATOM 435 CA ASN A 30 10.081 32.890 18.456 1.00 0.00 C ATOM 436 C ASN A 30 8.936 33.907 18.451 1.00 0.00 C ATOM 437 O ASN A 30 8.525 34.386 17.413 1.00 0.00 O ATOM 438 CB ASN A 30 9.622 31.599 17.774 1.00 0.00 C ATOM 439 CG ASN A 30 10.845 30.808 17.306 1.00 0.00 C ATOM 440 OD1 ASN A 30 11.316 30.992 16.202 1.00 0.00 O ATOM 441 ND2 ASN A 30 11.382 29.928 18.107 1.00 0.00 N ATOM 0 H ASN A 30 10.303 31.633 20.166 1.00 0.00 H new ATOM 0 HA ASN A 30 10.933 33.306 17.917 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.031 31.000 18.466 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.979 31.832 16.925 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.198 29.395 17.806 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.986 29.774 19.034 1.00 0.00 H new ATOM 448 N GLY A 31 8.420 34.243 19.602 1.00 0.00 N ATOM 449 CA GLY A 31 7.304 35.232 19.661 1.00 0.00 C ATOM 450 C GLY A 31 6.017 34.597 19.131 1.00 0.00 C ATOM 451 O GLY A 31 5.070 35.278 18.794 1.00 0.00 O ATOM 0 H GLY A 31 8.722 33.876 20.504 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.158 35.568 20.688 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.555 36.113 19.070 1.00 0.00 H new ATOM 455 N ILE A 32 5.973 33.296 19.061 1.00 0.00 N ATOM 456 CA ILE A 32 4.744 32.615 18.561 1.00 0.00 C ATOM 457 C ILE A 32 3.894 32.216 19.754 1.00 0.00 C ATOM 458 O ILE A 32 2.685 32.117 19.674 1.00 0.00 O ATOM 459 CB ILE A 32 5.122 31.369 17.759 1.00 0.00 C ATOM 460 CG1 ILE A 32 6.528 31.545 17.193 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.130 31.179 16.610 1.00 0.00 C ATOM 462 CD1 ILE A 32 6.883 30.344 16.322 1.00 0.00 C ATOM 0 H ILE A 32 6.735 32.673 19.328 1.00 0.00 H new ATOM 0 HA ILE A 32 4.187 33.291 17.912 1.00 0.00 H new ATOM 0 HB ILE A 32 5.094 30.494 18.408 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.582 32.462 16.606 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.248 31.644 18.005 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.400 30.291 16.039 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.125 31.059 17.013 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.157 32.052 15.958 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.888 30.471 15.919 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.846 29.435 16.923 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.170 30.266 15.502 1.00 0.00 H new ATOM 474 N TYR A 33 4.523 32.003 20.868 1.00 0.00 N ATOM 475 CA TYR A 33 3.759 31.635 22.089 1.00 0.00 C ATOM 476 C TYR A 33 2.580 32.597 22.202 1.00 0.00 C ATOM 477 O TYR A 33 1.456 32.210 22.448 1.00 0.00 O ATOM 478 CB TYR A 33 4.678 31.745 23.322 1.00 0.00 C ATOM 479 CG TYR A 33 4.513 33.085 24.011 1.00 0.00 C ATOM 480 CD1 TYR A 33 5.263 34.189 23.587 1.00 0.00 C ATOM 481 CD2 TYR A 33 3.610 33.220 25.072 1.00 0.00 C ATOM 482 CE1 TYR A 33 5.110 35.426 24.223 1.00 0.00 C ATOM 483 CE2 TYR A 33 3.457 34.457 25.709 1.00 0.00 C ATOM 484 CZ TYR A 33 4.207 35.560 25.284 1.00 0.00 C ATOM 485 OH TYR A 33 4.056 36.780 25.912 1.00 0.00 O ATOM 0 H TYR A 33 5.534 32.067 20.989 1.00 0.00 H new ATOM 0 HA TYR A 33 3.395 30.609 22.032 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.448 30.942 24.023 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.717 31.615 23.018 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.960 34.086 22.769 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.031 32.369 25.399 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.689 36.277 23.895 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.761 34.560 26.528 1.00 0.00 H new ATOM 0 HH TYR A 33 3.390 36.700 26.626 1.00 0.00 H new ATOM 495 N ASP A 34 2.843 33.857 22.001 1.00 0.00 N ATOM 496 CA ASP A 34 1.757 34.867 22.069 1.00 0.00 C ATOM 497 C ASP A 34 0.945 34.801 20.776 1.00 0.00 C ATOM 498 O ASP A 34 -0.234 35.093 20.756 1.00 0.00 O ATOM 499 CB ASP A 34 2.363 36.264 22.225 1.00 0.00 C ATOM 500 CG ASP A 34 1.250 37.275 22.510 1.00 0.00 C ATOM 501 OD1 ASP A 34 0.462 37.527 21.614 1.00 0.00 O ATOM 502 OD2 ASP A 34 1.206 37.779 23.620 1.00 0.00 O ATOM 0 H ASP A 34 3.769 34.231 21.792 1.00 0.00 H new ATOM 0 HA ASP A 34 1.112 34.662 22.924 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.089 36.268 23.038 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.899 36.543 21.318 1.00 0.00 H new ATOM 507 N ILE A 35 1.567 34.414 19.691 1.00 0.00 N ATOM 508 CA ILE A 35 0.823 34.327 18.403 1.00 0.00 C ATOM 509 C ILE A 35 -0.256 33.244 18.506 1.00 0.00 C ATOM 510 O ILE A 35 -1.102 33.117 17.643 1.00 0.00 O ATOM 511 CB ILE A 35 1.795 33.972 17.276 1.00 0.00 C ATOM 512 CG1 ILE A 35 2.741 35.149 17.030 1.00 0.00 C ATOM 513 CG2 ILE A 35 1.009 33.675 15.998 1.00 0.00 C ATOM 514 CD1 ILE A 35 1.974 36.291 16.360 1.00 0.00 C ATOM 0 H ILE A 35 2.553 34.156 19.643 1.00 0.00 H new ATOM 0 HA ILE A 35 0.353 35.287 18.190 1.00 0.00 H new ATOM 0 HB ILE A 35 2.373 33.093 17.559 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.169 35.489 17.973 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.572 34.835 16.398 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.702 33.422 15.195 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.334 32.837 16.172 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.430 34.554 15.714 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.649 37.129 16.185 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.568 35.948 15.409 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.158 36.611 17.008 1.00 0.00 H new ATOM 526 N VAL A 36 -0.235 32.461 19.552 1.00 0.00 N ATOM 527 CA VAL A 36 -1.263 31.390 19.699 1.00 0.00 C ATOM 528 C VAL A 36 -1.351 30.952 21.164 1.00 0.00 C ATOM 529 O VAL A 36 -2.418 30.910 21.744 1.00 0.00 O ATOM 530 CB VAL A 36 -0.874 30.191 18.832 1.00 0.00 C ATOM 531 CG1 VAL A 36 0.589 29.827 19.088 1.00 0.00 C ATOM 532 CG2 VAL A 36 -1.765 28.998 19.186 1.00 0.00 C ATOM 0 H VAL A 36 0.447 32.516 20.308 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.232 31.775 19.380 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.005 30.446 17.780 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.865 28.973 18.470 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.224 30.676 18.838 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.722 29.572 20.139 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.490 28.142 18.569 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.633 28.745 20.238 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.808 29.256 19.003 1.00 0.00 H new ATOM 542 N GLY A 37 -0.240 30.622 21.765 1.00 0.00 N ATOM 543 CA GLY A 37 -0.261 30.183 23.192 1.00 0.00 C ATOM 544 C GLY A 37 -1.195 31.089 23.998 1.00 0.00 C ATOM 545 O GLY A 37 -1.597 32.142 23.545 1.00 0.00 O ATOM 0 H GLY A 37 0.682 30.637 21.330 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.596 29.148 23.259 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.746 30.220 23.609 1.00 0.00 H new ATOM 549 N ASP A 38 -1.545 30.689 25.192 1.00 0.00 N ATOM 550 CA ASP A 38 -2.454 31.530 26.020 1.00 0.00 C ATOM 551 C ASP A 38 -2.220 31.241 27.508 1.00 0.00 C ATOM 552 O ASP A 38 -1.361 31.829 28.134 1.00 0.00 O ATOM 553 CB ASP A 38 -3.907 31.215 25.657 1.00 0.00 C ATOM 554 CG ASP A 38 -4.843 31.825 26.703 1.00 0.00 C ATOM 555 OD1 ASP A 38 -4.383 32.656 27.468 1.00 0.00 O ATOM 556 OD2 ASP A 38 -6.004 31.451 26.720 1.00 0.00 O ATOM 0 H ASP A 38 -1.241 29.818 25.628 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.249 32.583 25.825 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.140 31.614 24.670 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.054 30.136 25.608 1.00 0.00 H new ATOM 561 N CYS A 39 -2.982 30.346 28.082 1.00 0.00 N ATOM 562 CA CYS A 39 -2.799 30.035 29.530 1.00 0.00 C ATOM 563 C CYS A 39 -1.428 29.392 29.752 1.00 0.00 C ATOM 564 O CYS A 39 -0.989 29.219 30.872 1.00 0.00 O ATOM 565 CB CYS A 39 -3.904 29.082 29.999 1.00 0.00 C ATOM 566 SG CYS A 39 -3.668 27.451 29.250 1.00 0.00 S ATOM 0 H CYS A 39 -3.719 29.820 27.613 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.857 30.959 30.106 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.888 28.999 31.086 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.881 29.480 29.724 1.00 0.00 H new ATOM 571 N GLY A 40 -0.743 29.045 28.697 1.00 0.00 N ATOM 572 CA GLY A 40 0.604 28.425 28.854 1.00 0.00 C ATOM 573 C GLY A 40 0.473 26.904 28.956 1.00 0.00 C ATOM 574 O GLY A 40 -0.568 26.339 28.685 1.00 0.00 O ATOM 0 H GLY A 40 -1.057 29.164 27.734 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.235 28.687 28.005 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.092 28.817 29.747 1.00 0.00 H new ATOM 578 N GLY A 41 1.528 26.239 29.346 1.00 0.00 N ATOM 579 CA GLY A 41 1.481 24.753 29.468 1.00 0.00 C ATOM 580 C GLY A 41 0.160 24.325 30.107 1.00 0.00 C ATOM 581 O GLY A 41 -0.323 23.233 29.881 1.00 0.00 O ATOM 0 H GLY A 41 2.424 26.663 29.586 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.584 24.295 28.484 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.318 24.402 30.072 1.00 0.00 H new ATOM 585 N SER A 42 -0.431 25.172 30.903 1.00 0.00 N ATOM 586 CA SER A 42 -1.720 24.805 31.553 1.00 0.00 C ATOM 587 C SER A 42 -2.763 24.506 30.474 1.00 0.00 C ATOM 588 O SER A 42 -2.631 24.917 29.339 1.00 0.00 O ATOM 589 CB SER A 42 -2.203 25.967 32.421 1.00 0.00 C ATOM 590 OG SER A 42 -1.169 26.341 33.322 1.00 0.00 O ATOM 0 H SER A 42 -0.078 26.101 31.131 1.00 0.00 H new ATOM 0 HA SER A 42 -1.576 23.923 32.177 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.479 26.815 31.794 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.096 25.676 32.974 1.00 0.00 H new ATOM 0 HG SER A 42 -1.475 27.087 33.879 1.00 0.00 H new ATOM 596 N ALA A 43 -3.798 23.791 30.819 1.00 0.00 N ATOM 597 CA ALA A 43 -4.847 23.466 29.812 1.00 0.00 C ATOM 598 C ALA A 43 -6.208 23.931 30.330 1.00 0.00 C ATOM 599 O ALA A 43 -7.028 23.137 30.748 1.00 0.00 O ATOM 600 CB ALA A 43 -4.878 21.955 29.577 1.00 0.00 C ATOM 0 H ALA A 43 -3.963 23.418 31.754 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.622 23.973 28.874 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.645 21.717 28.840 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.907 21.624 29.209 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.104 21.446 30.514 1.00 0.00 H new ATOM 606 N SER A 44 -6.455 25.212 30.311 1.00 0.00 N ATOM 607 CA SER A 44 -7.763 25.723 30.807 1.00 0.00 C ATOM 608 C SER A 44 -8.379 26.662 29.767 1.00 0.00 C ATOM 609 O SER A 44 -9.470 27.165 29.943 1.00 0.00 O ATOM 610 CB SER A 44 -7.548 26.485 32.115 1.00 0.00 C ATOM 611 OG SER A 44 -7.403 25.555 33.181 1.00 0.00 O ATOM 0 H SER A 44 -5.809 25.925 29.974 1.00 0.00 H new ATOM 0 HA SER A 44 -8.436 24.883 30.979 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.660 27.113 32.042 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.392 27.147 32.307 1.00 0.00 H new ATOM 0 HG SER A 44 -7.263 26.040 34.021 1.00 0.00 H new ATOM 617 N CYS A 45 -7.691 26.905 28.683 1.00 0.00 N ATOM 618 CA CYS A 45 -8.251 27.813 27.643 1.00 0.00 C ATOM 619 C CYS A 45 -8.371 27.060 26.313 1.00 0.00 C ATOM 620 O CYS A 45 -8.218 25.856 26.253 1.00 0.00 O ATOM 621 CB CYS A 45 -7.338 29.047 27.492 1.00 0.00 C ATOM 622 SG CYS A 45 -6.008 28.737 26.293 1.00 0.00 S ATOM 0 H CYS A 45 -6.771 26.516 28.474 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.244 28.149 27.942 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.930 29.903 27.169 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.907 29.304 28.459 1.00 0.00 H new ATOM 627 N ALA A 46 -8.640 27.762 25.248 1.00 0.00 N ATOM 628 CA ALA A 46 -8.766 27.092 23.924 1.00 0.00 C ATOM 629 C ALA A 46 -8.151 27.985 22.845 1.00 0.00 C ATOM 630 O ALA A 46 -8.314 27.752 21.664 1.00 0.00 O ATOM 631 CB ALA A 46 -10.245 26.856 23.610 1.00 0.00 C ATOM 0 H ALA A 46 -8.778 28.773 25.237 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.244 26.135 23.947 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.337 26.366 22.641 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.684 26.222 24.381 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.769 27.812 23.584 1.00 0.00 H new ATOM 637 N THR A 47 -7.444 29.008 23.243 1.00 0.00 N ATOM 638 CA THR A 47 -6.818 29.918 22.243 1.00 0.00 C ATOM 639 C THR A 47 -5.652 29.201 21.559 1.00 0.00 C ATOM 640 O THR A 47 -5.236 29.568 20.478 1.00 0.00 O ATOM 641 CB THR A 47 -6.300 31.173 22.949 1.00 0.00 C ATOM 642 OG1 THR A 47 -7.300 31.664 23.831 1.00 0.00 O ATOM 643 CG2 THR A 47 -5.962 32.243 21.910 1.00 0.00 C ATOM 0 H THR A 47 -7.273 29.253 24.218 1.00 0.00 H new ATOM 0 HA THR A 47 -7.560 30.201 21.496 1.00 0.00 H new ATOM 0 HB THR A 47 -5.403 30.927 23.517 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.964 31.642 24.751 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.593 33.136 22.414 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.195 31.865 21.235 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.857 32.492 21.340 1.00 0.00 H new ATOM 651 N CYS A 48 -5.122 28.181 22.177 1.00 0.00 N ATOM 652 CA CYS A 48 -3.985 27.447 21.554 1.00 0.00 C ATOM 653 C CYS A 48 -4.509 26.358 20.613 1.00 0.00 C ATOM 654 O CYS A 48 -3.998 25.259 20.576 1.00 0.00 O ATOM 655 CB CYS A 48 -3.075 26.856 22.636 1.00 0.00 C ATOM 656 SG CYS A 48 -3.916 25.535 23.539 1.00 0.00 S ATOM 0 H CYS A 48 -5.426 27.825 23.083 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.393 28.146 20.964 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.165 26.467 22.178 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.772 27.640 23.330 1.00 0.00 H new ATOM 661 N HIS A 49 -5.520 26.679 19.838 1.00 0.00 N ATOM 662 CA HIS A 49 -6.092 25.703 18.855 1.00 0.00 C ATOM 663 C HIS A 49 -5.114 25.591 17.683 1.00 0.00 C ATOM 664 O HIS A 49 -5.360 26.106 16.611 1.00 0.00 O ATOM 665 CB HIS A 49 -7.432 26.261 18.345 1.00 0.00 C ATOM 666 CG HIS A 49 -8.036 25.346 17.326 1.00 0.00 C ATOM 667 ND1 HIS A 49 -9.089 24.510 17.628 1.00 0.00 N ATOM 668 CD2 HIS A 49 -7.770 25.151 15.994 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.412 23.855 16.509 1.00 0.00 C ATOM 670 NE2 HIS A 49 -8.641 24.203 15.482 1.00 0.00 N ATOM 0 H HIS A 49 -5.979 27.590 19.846 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.247 24.726 19.313 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.120 26.387 19.181 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.278 27.248 17.908 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.000 25.658 15.431 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.207 23.127 16.446 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.682 23.849 14.526 1.00 0.00 H new ATOM 678 N VAL A 50 -3.993 24.956 17.864 1.00 0.00 N ATOM 679 CA VAL A 50 -3.028 24.893 16.745 1.00 0.00 C ATOM 680 C VAL A 50 -3.404 23.800 15.777 1.00 0.00 C ATOM 681 O VAL A 50 -3.893 22.748 16.138 1.00 0.00 O ATOM 682 CB VAL A 50 -1.622 24.623 17.254 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.271 25.619 18.360 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.542 23.197 17.798 1.00 0.00 C ATOM 0 H VAL A 50 -3.709 24.486 18.724 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.054 25.859 16.240 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.913 24.738 16.434 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.262 25.421 18.721 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.322 26.634 17.966 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.978 25.513 19.183 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.534 23.003 18.163 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.253 23.079 18.616 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.782 22.490 17.004 1.00 0.00 H new ATOM 694 N TYR A 51 -3.149 24.054 14.543 1.00 0.00 N ATOM 695 CA TYR A 51 -3.444 23.065 13.496 1.00 0.00 C ATOM 696 C TYR A 51 -2.114 22.488 13.021 1.00 0.00 C ATOM 697 O TYR A 51 -1.377 23.098 12.275 1.00 0.00 O ATOM 698 CB TYR A 51 -4.162 23.779 12.374 1.00 0.00 C ATOM 699 CG TYR A 51 -5.659 23.674 12.574 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.282 22.432 12.437 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.431 24.816 12.862 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.665 22.315 12.586 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.820 24.697 13.001 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.434 23.446 12.862 1.00 0.00 C ATOM 705 OH TYR A 51 -9.801 23.330 12.992 1.00 0.00 O ATOM 0 H TYR A 51 -2.739 24.925 14.206 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.076 22.254 13.857 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.862 24.827 12.347 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.883 23.342 11.415 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.690 21.556 12.214 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.955 25.779 12.975 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.139 21.350 12.488 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.418 25.571 13.215 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.158 24.134 13.424 1.00 0.00 H new ATOM 715 N VAL A 52 -1.792 21.335 13.511 1.00 0.00 N ATOM 716 CA VAL A 52 -0.486 20.695 13.183 1.00 0.00 C ATOM 717 C VAL A 52 -0.566 19.809 11.943 1.00 0.00 C ATOM 718 O VAL A 52 -1.624 19.540 11.410 1.00 0.00 O ATOM 719 CB VAL A 52 -0.080 19.838 14.373 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.404 19.485 14.274 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.356 20.620 15.658 1.00 0.00 C ATOM 0 H VAL A 52 -2.386 20.793 14.138 1.00 0.00 H new ATOM 0 HA VAL A 52 0.241 21.480 12.975 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.655 18.912 14.380 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.690 18.871 15.128 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.586 18.932 13.353 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.996 20.400 14.270 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.069 20.017 16.520 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.222 21.544 15.653 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.418 20.857 15.718 1.00 0.00 H new ATOM 731 N ASN A 53 0.574 19.342 11.499 1.00 0.00 N ATOM 732 CA ASN A 53 0.621 18.453 10.311 1.00 0.00 C ATOM 733 C ASN A 53 0.187 17.048 10.729 1.00 0.00 C ATOM 734 O ASN A 53 0.226 16.697 11.892 1.00 0.00 O ATOM 735 CB ASN A 53 2.050 18.405 9.766 1.00 0.00 C ATOM 736 CG ASN A 53 2.079 18.999 8.357 1.00 0.00 C ATOM 737 OD1 ASN A 53 1.124 19.611 7.923 1.00 0.00 O ATOM 738 ND2 ASN A 53 3.144 18.843 7.618 1.00 0.00 N ATOM 0 H ASN A 53 1.482 19.545 11.918 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.046 18.832 9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.719 18.963 10.421 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.408 17.376 9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.174 19.235 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.946 18.329 7.982 1.00 0.00 H new ATOM 745 N GLU A 54 -0.229 16.247 9.794 1.00 0.00 N ATOM 746 CA GLU A 54 -0.675 14.864 10.133 1.00 0.00 C ATOM 747 C GLU A 54 0.536 13.936 10.256 1.00 0.00 C ATOM 748 O GLU A 54 0.398 12.730 10.317 1.00 0.00 O ATOM 749 CB GLU A 54 -1.601 14.346 9.031 1.00 0.00 C ATOM 750 CG GLU A 54 -0.810 14.189 7.731 1.00 0.00 C ATOM 751 CD GLU A 54 -1.688 13.511 6.677 1.00 0.00 C ATOM 752 OE1 GLU A 54 -2.670 14.114 6.276 1.00 0.00 O ATOM 753 OE2 GLU A 54 -1.363 12.401 6.290 1.00 0.00 O ATOM 0 H GLU A 54 -0.281 16.488 8.804 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.207 14.884 11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.033 13.389 9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.430 15.038 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.482 15.165 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.087 13.596 7.908 1.00 0.00 H new ATOM 760 N ALA A 55 1.722 14.480 10.293 1.00 0.00 N ATOM 761 CA ALA A 55 2.929 13.614 10.411 1.00 0.00 C ATOM 762 C ALA A 55 3.562 13.795 11.791 1.00 0.00 C ATOM 763 O ALA A 55 4.168 12.889 12.328 1.00 0.00 O ATOM 764 CB ALA A 55 3.941 13.998 9.330 1.00 0.00 C ATOM 0 H ALA A 55 1.907 15.482 10.247 1.00 0.00 H new ATOM 0 HA ALA A 55 2.638 12.571 10.283 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.824 13.364 9.416 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.492 13.862 8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.230 15.042 9.456 1.00 0.00 H new ATOM 770 N PHE A 56 3.427 14.954 12.372 1.00 0.00 N ATOM 771 CA PHE A 56 4.025 15.183 13.716 1.00 0.00 C ATOM 772 C PHE A 56 2.942 15.038 14.785 1.00 0.00 C ATOM 773 O PHE A 56 3.228 14.838 15.948 1.00 0.00 O ATOM 774 CB PHE A 56 4.637 16.581 13.768 1.00 0.00 C ATOM 775 CG PHE A 56 5.814 16.627 12.825 1.00 0.00 C ATOM 776 CD1 PHE A 56 5.597 16.691 11.444 1.00 0.00 C ATOM 777 CD2 PHE A 56 7.121 16.594 13.328 1.00 0.00 C ATOM 778 CE1 PHE A 56 6.684 16.723 10.565 1.00 0.00 C ATOM 779 CE2 PHE A 56 8.209 16.628 12.448 1.00 0.00 C ATOM 780 CZ PHE A 56 7.990 16.691 11.067 1.00 0.00 C ATOM 0 H PHE A 56 2.929 15.751 11.975 1.00 0.00 H new ATOM 0 HA PHE A 56 4.807 14.447 13.903 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.896 17.329 13.485 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.956 16.817 14.783 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.589 16.716 11.057 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.289 16.542 14.394 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.516 16.772 9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.217 16.606 12.835 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.830 16.715 10.388 1.00 0.00 H new ATOM 790 N THR A 57 1.697 15.123 14.398 1.00 0.00 N ATOM 791 CA THR A 57 0.600 14.974 15.394 1.00 0.00 C ATOM 792 C THR A 57 0.637 13.558 15.970 1.00 0.00 C ATOM 793 O THR A 57 0.018 13.268 16.974 1.00 0.00 O ATOM 794 CB THR A 57 -0.749 15.207 14.710 1.00 0.00 C ATOM 795 OG1 THR A 57 -0.658 14.826 13.344 1.00 0.00 O ATOM 796 CG2 THR A 57 -1.122 16.686 14.805 1.00 0.00 C ATOM 0 H THR A 57 1.394 15.289 13.438 1.00 0.00 H new ATOM 0 HA THR A 57 0.731 15.703 16.194 1.00 0.00 H new ATOM 0 HB THR A 57 -1.515 14.609 15.204 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.548 15.625 12.788 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.083 16.851 14.318 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.192 16.977 15.853 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.357 17.286 14.312 1.00 0.00 H new ATOM 804 N ASP A 58 1.360 12.671 15.340 1.00 0.00 N ATOM 805 CA ASP A 58 1.438 11.274 15.851 1.00 0.00 C ATOM 806 C ASP A 58 2.573 11.167 16.872 1.00 0.00 C ATOM 807 O ASP A 58 2.477 10.451 17.849 1.00 0.00 O ATOM 808 CB ASP A 58 1.707 10.318 14.687 1.00 0.00 C ATOM 809 CG ASP A 58 0.658 9.204 14.688 1.00 0.00 C ATOM 810 OD1 ASP A 58 -0.489 9.498 14.979 1.00 0.00 O ATOM 811 OD2 ASP A 58 1.021 8.077 14.397 1.00 0.00 O ATOM 0 H ASP A 58 1.899 12.854 14.494 1.00 0.00 H new ATOM 0 HA ASP A 58 0.494 11.009 16.327 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.676 10.861 13.742 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.706 9.891 14.776 1.00 0.00 H new ATOM 816 N LYS A 59 3.648 11.874 16.654 1.00 0.00 N ATOM 817 CA LYS A 59 4.788 11.813 17.612 1.00 0.00 C ATOM 818 C LYS A 59 4.418 12.563 18.893 1.00 0.00 C ATOM 819 O LYS A 59 4.836 12.207 19.976 1.00 0.00 O ATOM 820 CB LYS A 59 6.022 12.460 16.979 1.00 0.00 C ATOM 821 CG LYS A 59 6.608 11.519 15.925 1.00 0.00 C ATOM 822 CD LYS A 59 6.333 12.080 14.529 1.00 0.00 C ATOM 823 CE LYS A 59 6.691 11.029 13.476 1.00 0.00 C ATOM 824 NZ LYS A 59 5.926 9.778 13.744 1.00 0.00 N ATOM 0 H LYS A 59 3.786 12.491 15.854 1.00 0.00 H new ATOM 0 HA LYS A 59 5.007 10.772 17.851 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.752 13.412 16.522 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.767 12.674 17.745 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.681 11.408 16.079 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.167 10.527 16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.283 12.358 14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.918 12.985 14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.459 11.404 12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.762 10.825 13.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.777 9.264 12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.461 9.178 14.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.005 10.017 14.163 1.00 0.00 H new ATOM 838 N VAL A 60 3.634 13.600 18.778 1.00 0.00 N ATOM 839 CA VAL A 60 3.233 14.372 19.977 1.00 0.00 C ATOM 840 C VAL A 60 2.569 13.434 20.989 1.00 0.00 C ATOM 841 O VAL A 60 2.165 12.341 20.644 1.00 0.00 O ATOM 842 CB VAL A 60 2.244 15.455 19.552 1.00 0.00 C ATOM 843 CG1 VAL A 60 3.007 16.666 19.014 1.00 0.00 C ATOM 844 CG2 VAL A 60 1.319 14.909 18.462 1.00 0.00 C ATOM 0 H VAL A 60 3.254 13.944 17.896 1.00 0.00 H new ATOM 0 HA VAL A 60 4.108 14.830 20.438 1.00 0.00 H new ATOM 0 HB VAL A 60 1.649 15.756 20.414 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.299 17.437 18.711 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.661 17.059 19.792 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.606 16.366 18.154 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.614 15.684 18.161 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.913 14.604 17.600 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.770 14.050 18.847 1.00 0.00 H new ATOM 854 N PRO A 61 2.477 13.889 22.213 1.00 0.00 N ATOM 855 CA PRO A 61 1.864 13.103 23.298 1.00 0.00 C ATOM 856 C PRO A 61 0.420 12.742 22.938 1.00 0.00 C ATOM 857 O PRO A 61 -0.155 13.283 22.015 1.00 0.00 O ATOM 858 CB PRO A 61 1.907 14.024 24.525 1.00 0.00 C ATOM 859 CG PRO A 61 2.616 15.337 24.103 1.00 0.00 C ATOM 860 CD PRO A 61 2.973 15.219 22.613 1.00 0.00 C ATOM 0 HA PRO A 61 2.386 12.163 23.478 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.899 14.232 24.883 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.444 13.545 25.344 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.965 16.195 24.273 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.514 15.495 24.700 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.501 16.009 22.029 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.048 15.304 22.455 1.00 0.00 H new ATOM 868 N ALA A 62 -0.169 11.829 23.661 1.00 0.00 N ATOM 869 CA ALA A 62 -1.573 11.431 23.362 1.00 0.00 C ATOM 870 C ALA A 62 -2.490 11.926 24.478 1.00 0.00 C ATOM 871 O ALA A 62 -3.150 11.153 25.143 1.00 0.00 O ATOM 872 CB ALA A 62 -1.663 9.910 23.268 1.00 0.00 C ATOM 0 H ALA A 62 0.262 11.341 24.446 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.881 11.872 22.414 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.690 9.619 23.049 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.008 9.555 22.472 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.355 9.468 24.215 1.00 0.00 H new ATOM 878 N ALA A 63 -2.532 13.211 24.686 1.00 0.00 N ATOM 879 CA ALA A 63 -3.402 13.772 25.759 1.00 0.00 C ATOM 880 C ALA A 63 -4.753 13.052 25.754 1.00 0.00 C ATOM 881 O ALA A 63 -5.104 12.379 24.805 1.00 0.00 O ATOM 882 CB ALA A 63 -3.621 15.266 25.509 1.00 0.00 C ATOM 0 H ALA A 63 -1.999 13.902 24.157 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.920 13.631 26.726 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.257 15.677 26.293 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.660 15.781 25.514 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.102 15.406 24.541 1.00 0.00 H new ATOM 888 N ASN A 64 -5.513 13.186 26.806 1.00 0.00 N ATOM 889 CA ASN A 64 -6.840 12.505 26.857 1.00 0.00 C ATOM 890 C ASN A 64 -7.930 13.464 26.378 1.00 0.00 C ATOM 891 O ASN A 64 -7.657 14.566 25.945 1.00 0.00 O ATOM 892 CB ASN A 64 -7.147 12.064 28.292 1.00 0.00 C ATOM 893 CG ASN A 64 -6.627 13.109 29.280 1.00 0.00 C ATOM 894 OD1 ASN A 64 -7.247 14.252 29.388 1.00 0.00 O flip ATOM 895 ND2 ASN A 64 -5.647 12.884 29.962 1.00 0.00 N flip ATOM 0 H ASN A 64 -5.274 13.736 27.631 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.813 11.629 26.209 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.222 11.933 28.420 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.682 11.099 28.492 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.162 11.991 29.878 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.310 13.588 30.618 1.00 0.00 H new ATOM 902 N GLU A 65 -9.164 13.050 26.453 1.00 0.00 N ATOM 903 CA GLU A 65 -10.277 13.933 26.002 1.00 0.00 C ATOM 904 C GLU A 65 -10.731 14.818 27.165 1.00 0.00 C ATOM 905 O GLU A 65 -11.383 15.825 26.973 1.00 0.00 O ATOM 906 CB GLU A 65 -11.450 13.073 25.528 1.00 0.00 C ATOM 907 CG GLU A 65 -12.446 13.945 24.761 1.00 0.00 C ATOM 908 CD GLU A 65 -13.594 13.077 24.245 1.00 0.00 C ATOM 909 OE1 GLU A 65 -13.313 12.032 23.680 1.00 0.00 O ATOM 910 OE2 GLU A 65 -14.735 13.470 24.423 1.00 0.00 O ATOM 0 H GLU A 65 -9.451 12.138 26.807 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.932 14.561 25.181 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.089 12.267 24.889 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.941 12.607 26.382 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.833 14.730 25.410 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.946 14.439 23.927 1.00 0.00 H new ATOM 917 N ARG A 66 -10.391 14.452 28.370 1.00 0.00 N ATOM 918 CA ARG A 66 -10.805 15.274 29.542 1.00 0.00 C ATOM 919 C ARG A 66 -10.521 16.750 29.254 1.00 0.00 C ATOM 920 O ARG A 66 -11.423 17.560 29.168 1.00 0.00 O ATOM 921 CB ARG A 66 -10.018 14.835 30.778 1.00 0.00 C ATOM 922 CG ARG A 66 -10.882 15.020 32.027 1.00 0.00 C ATOM 923 CD ARG A 66 -11.669 13.737 32.299 1.00 0.00 C ATOM 924 NE ARG A 66 -10.732 12.663 32.735 1.00 0.00 N ATOM 925 CZ ARG A 66 -11.193 11.580 33.301 1.00 0.00 C ATOM 926 NH1 ARG A 66 -12.477 11.431 33.488 1.00 0.00 N ATOM 927 NH2 ARG A 66 -10.368 10.643 33.680 1.00 0.00 N ATOM 0 H ARG A 66 -9.845 13.620 28.594 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.871 15.137 29.724 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.720 13.791 30.680 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.103 15.421 30.866 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.254 15.262 32.884 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.567 15.856 31.888 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.420 13.914 33.069 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.202 13.427 31.400 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.728 12.774 32.591 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.124 12.162 33.192 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.833 10.584 33.930 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.365 10.757 33.534 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.726 9.796 34.122 1.00 0.00 H new ATOM 941 N GLU A 67 -9.275 17.105 29.103 1.00 0.00 N ATOM 942 CA GLU A 67 -8.936 18.528 28.819 1.00 0.00 C ATOM 943 C GLU A 67 -9.489 18.919 27.447 1.00 0.00 C ATOM 944 O GLU A 67 -9.684 20.081 27.154 1.00 0.00 O ATOM 945 CB GLU A 67 -7.415 18.701 28.824 1.00 0.00 C ATOM 946 CG GLU A 67 -6.804 17.816 29.913 1.00 0.00 C ATOM 947 CD GLU A 67 -5.388 18.300 30.229 1.00 0.00 C ATOM 948 OE1 GLU A 67 -5.216 19.495 30.400 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.499 17.466 30.294 1.00 0.00 O ATOM 0 H GLU A 67 -8.477 16.472 29.164 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.377 19.167 29.584 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.005 18.433 27.850 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.158 19.745 29.002 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.420 17.849 30.812 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.779 16.778 29.582 1.00 0.00 H new ATOM 956 N ILE A 68 -9.744 17.955 26.605 1.00 0.00 N ATOM 957 CA ILE A 68 -10.284 18.271 25.253 1.00 0.00 C ATOM 958 C ILE A 68 -11.681 18.880 25.390 1.00 0.00 C ATOM 959 O ILE A 68 -12.090 19.703 24.597 1.00 0.00 O ATOM 960 CB ILE A 68 -10.369 16.987 24.426 1.00 0.00 C ATOM 961 CG1 ILE A 68 -8.960 16.438 24.193 1.00 0.00 C ATOM 962 CG2 ILE A 68 -11.027 17.290 23.078 1.00 0.00 C ATOM 963 CD1 ILE A 68 -8.217 17.340 23.206 1.00 0.00 C ATOM 0 H ILE A 68 -9.602 16.963 26.795 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.624 18.982 24.756 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.964 16.248 24.962 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.417 16.389 25.137 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.014 15.422 23.803 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.087 16.375 22.489 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.030 17.682 23.243 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.432 18.029 22.541 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.213 16.949 23.040 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.757 17.366 22.260 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.150 18.349 23.614 1.00 0.00 H new ATOM 975 N GLY A 69 -12.416 18.481 26.392 1.00 0.00 N ATOM 976 CA GLY A 69 -13.786 19.037 26.579 1.00 0.00 C ATOM 977 C GLY A 69 -13.754 20.555 26.395 1.00 0.00 C ATOM 978 O GLY A 69 -14.461 21.105 25.574 1.00 0.00 O ATOM 0 H GLY A 69 -12.127 17.794 27.089 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.473 18.588 25.861 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.157 18.789 27.573 1.00 0.00 H new ATOM 982 N MET A 70 -12.939 21.238 27.151 1.00 0.00 N ATOM 983 CA MET A 70 -12.863 22.719 27.015 1.00 0.00 C ATOM 984 C MET A 70 -12.242 23.066 25.662 1.00 0.00 C ATOM 985 O MET A 70 -12.495 24.114 25.101 1.00 0.00 O ATOM 986 CB MET A 70 -11.997 23.294 28.138 1.00 0.00 C ATOM 987 CG MET A 70 -12.722 23.131 29.476 1.00 0.00 C ATOM 988 SD MET A 70 -11.731 23.879 30.793 1.00 0.00 S ATOM 989 CE MET A 70 -12.975 23.769 32.102 1.00 0.00 C ATOM 0 H MET A 70 -12.323 20.834 27.857 1.00 0.00 H new ATOM 0 HA MET A 70 -13.864 23.145 27.080 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.035 22.782 28.169 1.00 0.00 H new ATOM 0 HB3 MET A 70 -11.791 24.348 27.950 1.00 0.00 H new ATOM 0 HG2 MET A 70 -13.703 23.604 29.431 1.00 0.00 H new ATOM 0 HG3 MET A 70 -12.887 22.074 29.686 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.569 24.183 33.025 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.861 24.333 31.810 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.245 22.725 32.260 1.00 0.00 H new ATOM 999 N LEU A 71 -11.434 22.190 25.132 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.802 22.465 23.812 1.00 0.00 C ATOM 1001 C LEU A 71 -11.726 21.973 22.695 1.00 0.00 C ATOM 1002 O LEU A 71 -11.400 22.049 21.527 1.00 0.00 O ATOM 1003 CB LEU A 71 -9.461 21.734 23.726 1.00 0.00 C ATOM 1004 CG LEU A 71 -8.414 22.496 24.541 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -7.757 21.547 25.544 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -7.349 23.060 23.598 1.00 0.00 C ATOM 0 H LEU A 71 -11.184 21.296 25.556 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.637 23.537 23.702 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.564 20.717 24.105 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.143 21.656 22.686 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.895 23.313 25.078 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.011 22.090 26.124 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.516 21.144 26.215 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.275 20.729 25.009 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.602 23.603 24.176 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.868 22.242 23.061 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.817 23.737 22.883 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.880 21.473 23.047 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.828 20.981 22.010 1.00 0.00 C ATOM 1020 C GLU A 72 -14.709 22.143 21.549 1.00 0.00 C ATOM 1021 O GLU A 72 -15.143 22.195 20.415 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.701 19.872 22.605 1.00 0.00 C ATOM 1023 CG GLU A 72 -15.897 19.609 21.687 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.642 18.361 22.163 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -16.203 17.768 23.135 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.639 18.019 21.548 1.00 0.00 O ATOM 0 H GLU A 72 -13.206 21.385 24.009 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.275 20.583 21.159 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.116 18.960 22.726 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.048 20.162 23.597 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.567 20.469 21.690 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.558 19.473 20.660 1.00 0.00 H new ATOM 1033 N CYS A 73 -14.972 23.079 22.420 1.00 0.00 N ATOM 1034 CA CYS A 73 -15.820 24.241 22.032 1.00 0.00 C ATOM 1035 C CYS A 73 -14.923 25.451 21.767 1.00 0.00 C ATOM 1036 O CYS A 73 -15.318 26.584 21.961 1.00 0.00 O ATOM 1037 CB CYS A 73 -16.793 24.565 23.168 1.00 0.00 C ATOM 1038 SG CYS A 73 -18.432 23.913 22.762 1.00 0.00 S ATOM 0 H CYS A 73 -14.636 23.089 23.383 1.00 0.00 H new ATOM 0 HA CYS A 73 -16.384 23.999 21.132 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -16.437 24.129 24.101 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -16.846 25.643 23.320 1.00 0.00 H new ATOM 0 HG CYS A 73 -19.259 24.186 23.727 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.717 25.220 21.325 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.792 26.354 21.048 1.00 0.00 C ATOM 1046 C VAL A 74 -13.530 27.437 20.260 1.00 0.00 C ATOM 1047 O VAL A 74 -14.649 27.249 19.825 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.599 25.853 20.233 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -11.016 24.603 20.895 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -12.060 25.509 18.815 1.00 0.00 C ATOM 0 H VAL A 74 -13.332 24.293 21.144 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.438 26.770 21.991 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.836 26.631 20.191 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.166 24.246 20.314 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.688 24.846 21.906 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.778 23.825 20.938 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.211 25.152 18.233 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.823 24.731 18.859 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.476 26.399 18.342 1.00 0.00 H new ATOM 1060 N THR A 75 -12.914 28.571 20.075 1.00 0.00 N ATOM 1061 CA THR A 75 -13.581 29.667 19.318 1.00 0.00 C ATOM 1062 C THR A 75 -13.566 29.347 17.823 1.00 0.00 C ATOM 1063 O THR A 75 -14.121 30.071 17.022 1.00 0.00 O ATOM 1064 CB THR A 75 -12.836 30.983 19.557 1.00 0.00 C ATOM 1065 OG1 THR A 75 -12.795 31.256 20.950 1.00 0.00 O ATOM 1066 CG2 THR A 75 -13.560 32.119 18.834 1.00 0.00 C ATOM 0 H THR A 75 -11.977 28.787 20.415 1.00 0.00 H new ATOM 0 HA THR A 75 -14.612 29.760 19.660 1.00 0.00 H new ATOM 0 HB THR A 75 -11.819 30.900 19.173 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.067 30.746 21.362 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.029 33.056 19.005 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.591 31.909 17.765 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.577 32.204 19.216 1.00 0.00 H new ATOM 1074 N ALA A 76 -12.934 28.273 17.435 1.00 0.00 N ATOM 1075 CA ALA A 76 -12.892 27.929 15.989 1.00 0.00 C ATOM 1076 C ALA A 76 -13.451 26.523 15.779 1.00 0.00 C ATOM 1077 O ALA A 76 -14.283 26.052 16.529 1.00 0.00 O ATOM 1078 CB ALA A 76 -11.445 27.982 15.495 1.00 0.00 C ATOM 0 H ALA A 76 -12.448 27.624 18.054 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.495 28.644 15.429 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.413 27.730 14.435 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.047 28.986 15.641 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.843 27.268 16.056 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.985 25.846 14.770 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.458 24.471 14.499 1.00 0.00 C ATOM 1086 C GLU A 77 -12.294 23.537 14.771 1.00 0.00 C ATOM 1087 O GLU A 77 -11.161 23.955 14.721 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.877 24.355 13.035 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.130 25.387 12.184 1.00 0.00 C ATOM 1090 CD GLU A 77 -13.800 26.754 12.333 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -14.568 26.917 13.266 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -13.532 27.615 11.511 1.00 0.00 O ATOM 0 H GLU A 77 -12.286 26.196 14.114 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.313 24.221 15.126 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.667 23.350 12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.952 24.509 12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.087 25.445 12.497 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.132 25.081 11.138 1.00 0.00 H new ATOM 1099 N LEU A 78 -12.526 22.289 15.057 1.00 0.00 N ATOM 1100 CA LEU A 78 -11.358 21.411 15.321 1.00 0.00 C ATOM 1101 C LEU A 78 -11.428 20.116 14.525 1.00 0.00 C ATOM 1102 O LEU A 78 -12.478 19.633 14.154 1.00 0.00 O ATOM 1103 CB LEU A 78 -11.251 21.088 16.812 1.00 0.00 C ATOM 1104 CG LEU A 78 -9.780 20.827 17.130 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -9.324 21.698 18.300 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -9.573 19.353 17.481 1.00 0.00 C ATOM 0 H LEU A 78 -13.444 21.849 15.118 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.471 21.959 15.002 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.630 21.917 17.410 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.856 20.215 17.058 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.188 21.077 16.250 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.274 21.500 18.514 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.449 22.749 18.041 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.923 21.467 19.181 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.521 19.177 17.706 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.178 19.098 18.351 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.872 18.732 16.636 1.00 0.00 H new ATOM 1118 N LYS A 79 -10.277 19.566 14.277 1.00 0.00 N ATOM 1119 CA LYS A 79 -10.162 18.301 13.518 1.00 0.00 C ATOM 1120 C LYS A 79 -9.123 17.429 14.244 1.00 0.00 C ATOM 1121 O LYS A 79 -8.426 17.911 15.113 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.716 18.637 12.088 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.948 18.764 11.185 1.00 0.00 C ATOM 1124 CD LYS A 79 -11.380 17.381 10.691 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.317 16.819 9.744 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.217 15.344 9.929 1.00 0.00 N ATOM 0 H LYS A 79 -9.385 19.956 14.580 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.107 17.761 13.461 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.150 19.568 12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.053 17.858 11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.764 19.235 11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.722 19.408 10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.520 16.709 11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.339 17.450 10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.576 17.050 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.353 17.287 9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.256 15.098 10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.905 15.037 10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.420 14.867 9.028 1.00 0.00 H new ATOM 1140 N PRO A 80 -9.065 16.176 13.894 1.00 0.00 N ATOM 1141 CA PRO A 80 -8.133 15.223 14.529 1.00 0.00 C ATOM 1142 C PRO A 80 -6.695 15.739 14.450 1.00 0.00 C ATOM 1143 O PRO A 80 -5.819 15.284 15.159 1.00 0.00 O ATOM 1144 CB PRO A 80 -8.297 13.927 13.724 1.00 0.00 C ATOM 1145 CG PRO A 80 -9.408 14.168 12.667 1.00 0.00 C ATOM 1146 CD PRO A 80 -9.908 15.612 12.837 1.00 0.00 C ATOM 0 HA PRO A 80 -8.345 15.078 15.588 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.359 13.656 13.239 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.566 13.100 14.381 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.019 14.014 11.661 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.226 13.461 12.804 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.811 16.176 11.910 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.961 15.636 13.116 1.00 0.00 H new ATOM 1154 N ASN A 81 -6.448 16.679 13.588 1.00 0.00 N ATOM 1155 CA ASN A 81 -5.069 17.228 13.445 1.00 0.00 C ATOM 1156 C ASN A 81 -4.817 18.334 14.481 1.00 0.00 C ATOM 1157 O ASN A 81 -3.705 18.526 14.932 1.00 0.00 O ATOM 1158 CB ASN A 81 -4.904 17.805 12.039 1.00 0.00 C ATOM 1159 CG ASN A 81 -3.667 17.195 11.383 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -2.641 16.888 12.124 1.00 0.00 O flip ATOM 1161 ND2 ASN A 81 -3.635 16.994 10.185 1.00 0.00 N flip ATOM 0 H ASN A 81 -7.144 17.096 12.970 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.350 16.425 13.610 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.789 17.592 11.440 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.806 18.889 12.088 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.439 17.235 9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.804 16.584 9.759 1.00 0.00 H new ATOM 1168 N SER A 82 -5.830 19.070 14.854 1.00 0.00 N ATOM 1169 CA SER A 82 -5.627 20.167 15.850 1.00 0.00 C ATOM 1170 C SER A 82 -5.134 19.594 17.176 1.00 0.00 C ATOM 1171 O SER A 82 -5.249 18.412 17.435 1.00 0.00 O ATOM 1172 CB SER A 82 -6.937 20.902 16.083 1.00 0.00 C ATOM 1173 OG SER A 82 -7.646 20.995 14.856 1.00 0.00 O ATOM 0 H SER A 82 -6.786 18.961 14.515 1.00 0.00 H new ATOM 0 HA SER A 82 -4.882 20.858 15.457 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.537 20.374 16.824 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.743 21.898 16.481 1.00 0.00 H new ATOM 0 HG SER A 82 -7.051 21.343 14.160 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.588 20.426 18.023 1.00 0.00 N ATOM 1180 CA ARG A 83 -4.093 19.928 19.335 1.00 0.00 C ATOM 1181 C ARG A 83 -3.949 21.104 20.299 1.00 0.00 C ATOM 1182 O ARG A 83 -4.543 22.148 20.115 1.00 0.00 O ATOM 1183 CB ARG A 83 -2.734 19.250 19.146 1.00 0.00 C ATOM 1184 CG ARG A 83 -2.829 17.782 19.569 1.00 0.00 C ATOM 1185 CD ARG A 83 -3.424 17.688 20.975 1.00 0.00 C ATOM 1186 NE ARG A 83 -2.349 17.332 21.953 1.00 0.00 N ATOM 1187 CZ ARG A 83 -1.546 16.321 21.743 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -1.763 15.487 20.759 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -0.547 16.111 22.556 1.00 0.00 N ATOM 0 H ARG A 83 -4.465 21.426 17.862 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.801 19.207 19.743 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.424 19.319 18.103 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.976 19.761 19.739 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.450 17.230 18.863 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.840 17.324 19.551 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.881 18.638 21.252 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.213 16.936 20.997 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.240 17.889 22.801 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.566 15.621 20.145 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.129 14.703 20.606 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.396 16.733 23.350 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.083 15.324 22.398 1.00 0.00 H new ATOM 1203 N LEU A 84 -3.158 20.947 21.322 1.00 0.00 N ATOM 1204 CA LEU A 84 -2.968 22.057 22.293 1.00 0.00 C ATOM 1205 C LEU A 84 -1.544 22.595 22.160 1.00 0.00 C ATOM 1206 O LEU A 84 -0.584 21.885 22.375 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.185 21.536 23.715 1.00 0.00 C ATOM 1208 CG LEU A 84 -4.605 21.872 24.171 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.401 20.579 24.354 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -4.546 22.626 25.502 1.00 0.00 C ATOM 0 H LEU A 84 -2.634 20.096 21.527 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.685 22.852 22.088 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.027 20.458 23.747 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.459 21.984 24.393 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.091 22.495 23.420 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.414 20.818 24.679 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.442 20.040 23.408 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.916 19.956 25.106 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.558 22.867 25.829 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.061 22.002 26.252 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.978 23.547 25.373 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.395 23.841 21.807 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.026 24.409 21.666 1.00 0.00 C ATOM 1224 C CYS A 85 0.690 24.322 23.014 1.00 0.00 C ATOM 1225 O CYS A 85 1.900 24.390 23.093 1.00 0.00 O ATOM 1226 CB CYS A 85 -0.121 25.873 21.234 1.00 0.00 C ATOM 1227 SG CYS A 85 1.324 26.301 20.230 1.00 0.00 S ATOM 0 H CYS A 85 -2.159 24.488 21.611 1.00 0.00 H new ATOM 0 HA CYS A 85 0.530 23.847 20.915 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.035 26.036 20.663 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.173 26.519 22.110 1.00 0.00 H new ATOM 0 HG CYS A 85 1.610 25.311 19.438 1.00 0.00 H new ATOM 1233 N CYS A 86 -0.054 24.178 24.076 1.00 0.00 N ATOM 1234 CA CYS A 86 0.574 24.094 25.423 1.00 0.00 C ATOM 1235 C CYS A 86 0.419 22.675 25.986 1.00 0.00 C ATOM 1236 O CYS A 86 0.331 22.484 27.182 1.00 0.00 O ATOM 1237 CB CYS A 86 -0.113 25.089 26.360 1.00 0.00 C ATOM 1238 SG CYS A 86 -1.772 24.489 26.770 1.00 0.00 S ATOM 0 H CYS A 86 -1.072 24.115 24.068 1.00 0.00 H new ATOM 0 HA CYS A 86 1.635 24.332 25.342 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.475 25.214 27.269 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.176 26.068 25.885 1.00 0.00 H new ATOM 1243 N GLN A 87 0.376 21.682 25.142 1.00 0.00 N ATOM 1244 CA GLN A 87 0.214 20.289 25.650 1.00 0.00 C ATOM 1245 C GLN A 87 1.039 19.321 24.799 1.00 0.00 C ATOM 1246 O GLN A 87 0.925 18.118 24.927 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.262 19.892 25.583 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.490 18.631 26.419 1.00 0.00 C ATOM 1249 CD GLN A 87 -2.349 18.975 27.638 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -2.204 20.136 28.216 1.00 0.00 O flip ATOM 1251 NE2 GLN A 87 -3.160 18.179 28.068 1.00 0.00 N flip ATOM 0 H GLN A 87 0.445 21.772 24.128 1.00 0.00 H new ATOM 0 HA GLN A 87 0.562 20.243 26.682 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.885 20.705 25.955 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.555 19.713 24.548 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.983 17.867 25.817 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.534 18.217 26.740 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.273 17.272 27.616 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.728 18.418 28.881 1.00 0.00 H new ATOM 1260 N ILE A 88 1.872 19.830 23.934 1.00 0.00 N ATOM 1261 CA ILE A 88 2.701 18.927 23.087 1.00 0.00 C ATOM 1262 C ILE A 88 4.178 19.260 23.290 1.00 0.00 C ATOM 1263 O ILE A 88 4.580 20.405 23.240 1.00 0.00 O ATOM 1264 CB ILE A 88 2.330 19.110 21.614 1.00 0.00 C ATOM 1265 CG1 ILE A 88 1.926 20.565 21.359 1.00 0.00 C ATOM 1266 CG2 ILE A 88 1.160 18.186 21.267 1.00 0.00 C ATOM 1267 CD1 ILE A 88 1.250 20.677 19.991 1.00 0.00 C ATOM 0 H ILE A 88 2.014 20.828 23.777 1.00 0.00 H new ATOM 0 HA ILE A 88 2.517 17.892 23.374 1.00 0.00 H new ATOM 0 HB ILE A 88 3.189 18.862 20.991 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.247 20.907 22.140 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.805 21.209 21.396 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.894 18.314 20.218 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.450 17.150 21.444 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.302 18.435 21.892 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.963 21.713 19.811 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.943 20.352 19.215 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.362 20.046 19.971 1.00 0.00 H new ATOM 1279 N ILE A 89 4.988 18.267 23.526 1.00 0.00 N ATOM 1280 CA ILE A 89 6.435 18.520 23.742 1.00 0.00 C ATOM 1281 C ILE A 89 7.195 18.310 22.430 1.00 0.00 C ATOM 1282 O ILE A 89 6.677 17.756 21.481 1.00 0.00 O ATOM 1283 CB ILE A 89 6.956 17.548 24.798 1.00 0.00 C ATOM 1284 CG1 ILE A 89 6.394 17.933 26.169 1.00 0.00 C ATOM 1285 CG2 ILE A 89 8.479 17.610 24.837 1.00 0.00 C ATOM 1286 CD1 ILE A 89 6.636 19.423 26.420 1.00 0.00 C ATOM 0 H ILE A 89 4.707 17.288 23.578 1.00 0.00 H new ATOM 0 HA ILE A 89 6.584 19.546 24.080 1.00 0.00 H new ATOM 0 HB ILE A 89 6.639 16.535 24.548 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.327 17.715 26.211 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.871 17.340 26.949 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.852 16.916 25.591 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.879 17.335 23.861 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.796 18.623 25.087 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.236 19.697 27.396 1.00 0.00 H new ATOM 0 HD12 ILE A 89 7.707 19.627 26.396 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.138 20.008 25.647 1.00 0.00 H new ATOM 1298 N MET A 90 8.422 18.750 22.373 1.00 0.00 N ATOM 1299 CA MET A 90 9.222 18.580 21.129 1.00 0.00 C ATOM 1300 C MET A 90 10.478 17.769 21.440 1.00 0.00 C ATOM 1301 O MET A 90 11.511 18.308 21.783 1.00 0.00 O ATOM 1302 CB MET A 90 9.633 19.948 20.596 1.00 0.00 C ATOM 1303 CG MET A 90 9.691 19.907 19.069 1.00 0.00 C ATOM 1304 SD MET A 90 11.090 18.884 18.546 1.00 0.00 S ATOM 1305 CE MET A 90 10.543 18.608 16.843 1.00 0.00 C ATOM 0 H MET A 90 8.906 19.221 23.137 1.00 0.00 H new ATOM 0 HA MET A 90 8.622 18.060 20.383 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.921 20.706 20.923 1.00 0.00 H new ATOM 0 HB3 MET A 90 10.606 20.230 21.000 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.761 19.502 18.670 1.00 0.00 H new ATOM 0 HG3 MET A 90 9.796 20.916 18.671 1.00 0.00 H new ATOM 0 HE1 MET A 90 10.552 17.540 16.627 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.532 18.995 16.718 1.00 0.00 H new ATOM 0 HE3 MET A 90 11.216 19.123 16.157 1.00 0.00 H new ATOM 1315 N THR A 91 10.396 16.478 21.320 1.00 0.00 N ATOM 1316 CA THR A 91 11.582 15.625 21.604 1.00 0.00 C ATOM 1317 C THR A 91 12.416 15.474 20.327 1.00 0.00 C ATOM 1318 O THR A 91 11.964 15.815 19.252 1.00 0.00 O ATOM 1319 CB THR A 91 11.117 14.246 22.078 1.00 0.00 C ATOM 1320 OG1 THR A 91 9.732 14.093 21.797 1.00 0.00 O ATOM 1321 CG2 THR A 91 11.351 14.116 23.584 1.00 0.00 C ATOM 0 H THR A 91 9.557 15.973 21.037 1.00 0.00 H new ATOM 0 HA THR A 91 12.188 16.089 22.382 1.00 0.00 H new ATOM 0 HB THR A 91 11.682 13.473 21.557 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.433 13.210 22.098 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.019 13.134 23.920 1.00 0.00 H new ATOM 0 HG22 THR A 91 12.413 14.234 23.799 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.787 14.888 24.108 1.00 0.00 H new ATOM 1329 N PRO A 92 13.612 14.966 20.485 1.00 0.00 N ATOM 1330 CA PRO A 92 14.532 14.759 19.352 1.00 0.00 C ATOM 1331 C PRO A 92 13.909 13.806 18.327 1.00 0.00 C ATOM 1332 O PRO A 92 14.386 13.676 17.217 1.00 0.00 O ATOM 1333 CB PRO A 92 15.790 14.138 19.975 1.00 0.00 C ATOM 1334 CG PRO A 92 15.548 14.015 21.502 1.00 0.00 C ATOM 1335 CD PRO A 92 14.141 14.558 21.798 1.00 0.00 C ATOM 0 HA PRO A 92 14.753 15.686 18.823 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.989 13.159 19.539 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.663 14.760 19.775 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.631 12.976 21.820 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.299 14.579 22.055 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.512 13.796 22.259 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.179 15.401 22.488 1.00 0.00 H new ATOM 1343 N GLU A 93 12.848 13.139 18.690 1.00 0.00 N ATOM 1344 CA GLU A 93 12.199 12.196 17.736 1.00 0.00 C ATOM 1345 C GLU A 93 11.531 12.986 16.608 1.00 0.00 C ATOM 1346 O GLU A 93 11.663 12.657 15.446 1.00 0.00 O ATOM 1347 CB GLU A 93 11.143 11.370 18.475 1.00 0.00 C ATOM 1348 CG GLU A 93 9.956 12.265 18.838 1.00 0.00 C ATOM 1349 CD GLU A 93 8.985 11.489 19.728 1.00 0.00 C ATOM 1350 OE1 GLU A 93 9.390 10.473 20.269 1.00 0.00 O ATOM 1351 OE2 GLU A 93 7.851 11.923 19.854 1.00 0.00 O ATOM 0 H GLU A 93 12.403 13.206 19.605 1.00 0.00 H new ATOM 0 HA GLU A 93 12.953 11.531 17.315 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.810 10.542 17.849 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.573 10.934 19.377 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.306 13.158 19.356 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.449 12.599 17.933 1.00 0.00 H new ATOM 1358 N LEU A 94 10.812 14.024 16.940 1.00 0.00 N ATOM 1359 CA LEU A 94 10.136 14.830 15.883 1.00 0.00 C ATOM 1360 C LEU A 94 11.167 15.712 15.173 1.00 0.00 C ATOM 1361 O LEU A 94 12.008 16.325 15.798 1.00 0.00 O ATOM 1362 CB LEU A 94 9.064 15.714 16.524 1.00 0.00 C ATOM 1363 CG LEU A 94 7.842 14.863 16.873 1.00 0.00 C ATOM 1364 CD1 LEU A 94 7.778 14.658 18.387 1.00 0.00 C ATOM 1365 CD2 LEU A 94 6.573 15.579 16.403 1.00 0.00 C ATOM 0 H LEU A 94 10.664 14.348 17.896 1.00 0.00 H new ATOM 0 HA LEU A 94 9.671 14.161 15.159 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.458 16.188 17.423 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.780 16.514 15.840 1.00 0.00 H new ATOM 0 HG LEU A 94 7.920 13.895 16.378 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.907 14.052 18.636 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.682 14.150 18.724 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.699 15.626 18.882 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.701 14.974 16.651 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.496 16.547 16.899 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.617 15.727 15.324 1.00 0.00 H new ATOM 1377 N ASP A 95 11.107 15.780 13.870 1.00 0.00 N ATOM 1378 CA ASP A 95 12.083 16.623 13.121 1.00 0.00 C ATOM 1379 C ASP A 95 11.363 17.345 11.979 1.00 0.00 C ATOM 1380 O ASP A 95 10.796 16.725 11.102 1.00 0.00 O ATOM 1381 CB ASP A 95 13.188 15.734 12.546 1.00 0.00 C ATOM 1382 CG ASP A 95 12.564 14.500 11.892 1.00 0.00 C ATOM 1383 OD1 ASP A 95 12.130 13.623 12.621 1.00 0.00 O ATOM 1384 OD2 ASP A 95 12.529 14.454 10.674 1.00 0.00 O ATOM 0 H ASP A 95 10.425 15.289 13.292 1.00 0.00 H new ATOM 0 HA ASP A 95 12.522 17.358 13.796 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.772 16.291 11.813 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.874 15.431 13.337 1.00 0.00 H new ATOM 1389 N GLY A 96 11.378 18.651 11.984 1.00 0.00 N ATOM 1390 CA GLY A 96 10.690 19.408 10.898 1.00 0.00 C ATOM 1391 C GLY A 96 9.178 19.306 11.093 1.00 0.00 C ATOM 1392 O GLY A 96 8.439 19.039 10.167 1.00 0.00 O ATOM 0 H GLY A 96 11.836 19.226 12.692 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.001 20.453 10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.971 19.006 9.924 1.00 0.00 H new ATOM 1396 N ILE A 97 8.713 19.519 12.294 1.00 0.00 N ATOM 1397 CA ILE A 97 7.244 19.430 12.549 1.00 0.00 C ATOM 1398 C ILE A 97 6.560 20.677 11.980 1.00 0.00 C ATOM 1399 O ILE A 97 7.134 21.747 11.948 1.00 0.00 O ATOM 1400 CB ILE A 97 6.965 19.294 14.070 1.00 0.00 C ATOM 1401 CG1 ILE A 97 6.539 20.639 14.676 1.00 0.00 C ATOM 1402 CG2 ILE A 97 8.224 18.815 14.795 1.00 0.00 C ATOM 1403 CD1 ILE A 97 5.068 20.903 14.350 1.00 0.00 C ATOM 0 H ILE A 97 9.283 19.750 13.108 1.00 0.00 H new ATOM 0 HA ILE A 97 6.842 18.545 12.056 1.00 0.00 H new ATOM 0 HB ILE A 97 6.159 18.571 14.194 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.686 20.626 15.756 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.160 21.442 14.279 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.017 18.723 15.861 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.525 17.845 14.399 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.028 19.535 14.642 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.766 21.858 14.780 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.935 20.934 13.269 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.454 20.106 14.769 1.00 0.00 H new ATOM 1415 N VAL A 98 5.339 20.553 11.535 1.00 0.00 N ATOM 1416 CA VAL A 98 4.642 21.741 10.979 1.00 0.00 C ATOM 1417 C VAL A 98 3.430 22.074 11.850 1.00 0.00 C ATOM 1418 O VAL A 98 2.422 21.398 11.816 1.00 0.00 O ATOM 1419 CB VAL A 98 4.182 21.447 9.552 1.00 0.00 C ATOM 1420 CG1 VAL A 98 3.898 22.765 8.831 1.00 0.00 C ATOM 1421 CG2 VAL A 98 5.282 20.684 8.811 1.00 0.00 C ATOM 0 H VAL A 98 4.800 19.687 11.533 1.00 0.00 H new ATOM 0 HA VAL A 98 5.326 22.590 10.968 1.00 0.00 H new ATOM 0 HB VAL A 98 3.275 20.843 9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.570 22.559 7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.116 23.309 9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.806 23.368 8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.956 20.473 7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.189 21.288 8.784 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.486 19.746 9.328 1.00 0.00 H new ATOM 1431 N VAL A 99 3.521 23.119 12.620 1.00 0.00 N ATOM 1432 CA VAL A 99 2.378 23.513 13.487 1.00 0.00 C ATOM 1433 C VAL A 99 1.703 24.729 12.864 1.00 0.00 C ATOM 1434 O VAL A 99 2.343 25.551 12.242 1.00 0.00 O ATOM 1435 CB VAL A 99 2.866 23.862 14.902 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.490 22.732 15.861 1.00 0.00 C ATOM 1437 CG2 VAL A 99 4.387 24.046 14.914 1.00 0.00 C ATOM 0 H VAL A 99 4.342 23.721 12.687 1.00 0.00 H new ATOM 0 HA VAL A 99 1.676 22.683 13.564 1.00 0.00 H new ATOM 0 HB VAL A 99 2.394 24.793 15.216 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.835 22.977 16.865 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.407 22.607 15.870 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.959 21.805 15.532 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.716 24.293 15.924 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.868 23.123 14.591 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.661 24.854 14.236 1.00 0.00 H new ATOM 1447 N ASP A 100 0.417 24.853 13.013 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.279 26.020 12.413 1.00 0.00 C ATOM 1449 C ASP A 100 -1.090 26.740 13.482 1.00 0.00 C ATOM 1450 O ASP A 100 -1.194 26.296 14.608 1.00 0.00 O ATOM 1451 CB ASP A 100 -1.214 25.545 11.297 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.448 24.625 10.343 1.00 0.00 C ATOM 1453 OD1 ASP A 100 0.313 23.803 10.826 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -0.636 24.760 9.145 1.00 0.00 O ATOM 0 H ASP A 100 -0.180 24.201 13.521 1.00 0.00 H new ATOM 0 HA ASP A 100 0.462 26.704 11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.066 25.016 11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.611 26.401 10.752 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.667 27.853 13.136 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.479 28.608 14.137 1.00 0.00 C ATOM 1461 C VAL A 101 -3.961 28.479 13.779 1.00 0.00 C ATOM 1462 O VAL A 101 -4.314 28.413 12.619 1.00 0.00 O ATOM 1463 CB VAL A 101 -2.054 30.093 14.143 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.072 30.954 14.897 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -0.690 30.216 14.828 1.00 0.00 C ATOM 0 H VAL A 101 -1.615 28.275 12.209 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.313 28.197 15.133 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.000 30.444 13.113 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.748 31.995 14.886 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.046 30.872 14.415 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.148 30.609 15.928 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.381 31.261 14.838 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.763 29.850 15.852 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.046 29.625 14.283 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.784 28.437 14.796 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.238 28.305 14.625 1.00 0.00 C ATOM 1477 C PRO A 102 -6.768 29.331 13.623 1.00 0.00 C ATOM 1478 O PRO A 102 -6.035 30.160 13.124 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.818 28.574 16.010 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.634 28.618 17.007 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.339 28.524 16.199 1.00 0.00 C ATOM 0 HA PRO A 102 -6.513 27.323 14.239 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.364 29.517 16.021 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.525 27.793 16.288 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.657 29.541 17.586 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.702 27.794 17.717 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.706 29.396 16.361 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.755 27.649 16.485 1.00 0.00 H new ATOM 1489 N ASP A 103 -8.043 29.296 13.344 1.00 0.00 N ATOM 1490 CA ASP A 103 -8.621 30.290 12.399 1.00 0.00 C ATOM 1491 C ASP A 103 -8.912 31.568 13.174 1.00 0.00 C ATOM 1492 O ASP A 103 -8.973 32.651 12.627 1.00 0.00 O ATOM 1493 CB ASP A 103 -9.914 29.743 11.794 1.00 0.00 C ATOM 1494 CG ASP A 103 -9.638 29.222 10.383 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -9.677 30.019 9.460 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -9.392 28.034 10.248 1.00 0.00 O ATOM 0 H ASP A 103 -8.706 28.624 13.729 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.919 30.492 11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.309 28.941 12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.672 30.525 11.762 1.00 0.00 H new ATOM 1501 N ARG A 104 -9.066 31.438 14.457 1.00 0.00 N ATOM 1502 CA ARG A 104 -9.328 32.625 15.313 1.00 0.00 C ATOM 1503 C ARG A 104 -8.195 32.742 16.334 1.00 0.00 C ATOM 1504 O ARG A 104 -7.111 32.235 16.126 1.00 0.00 O ATOM 1505 CB ARG A 104 -10.661 32.455 16.044 1.00 0.00 C ATOM 1506 CG ARG A 104 -11.588 33.615 15.671 1.00 0.00 C ATOM 1507 CD ARG A 104 -12.788 33.092 14.877 1.00 0.00 C ATOM 1508 NE ARG A 104 -12.390 31.898 14.079 1.00 0.00 N ATOM 1509 CZ ARG A 104 -13.311 31.106 13.593 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -14.575 31.383 13.770 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -12.970 30.036 12.929 1.00 0.00 N ATOM 0 H ARG A 104 -9.021 30.550 14.957 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.377 33.524 14.698 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.120 31.504 15.773 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.499 32.435 17.122 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.931 34.122 16.573 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.043 34.351 15.080 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.599 32.831 15.557 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.165 33.872 14.216 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.404 31.699 13.912 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.846 32.219 14.288 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.291 30.764 13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.984 29.816 12.788 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.689 29.420 12.551 1.00 0.00 H new ATOM 1525 N GLN A 105 -8.429 33.396 17.438 1.00 0.00 N ATOM 1526 CA GLN A 105 -7.350 33.521 18.457 1.00 0.00 C ATOM 1527 C GLN A 105 -7.969 33.699 19.846 1.00 0.00 C ATOM 1528 O GLN A 105 -7.352 34.234 20.745 1.00 0.00 O ATOM 1529 CB GLN A 105 -6.475 34.733 18.129 1.00 0.00 C ATOM 1530 CG GLN A 105 -5.446 34.347 17.064 1.00 0.00 C ATOM 1531 CD GLN A 105 -4.519 35.534 16.796 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -3.316 35.377 16.730 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -5.031 36.723 16.637 1.00 0.00 N ATOM 0 H GLN A 105 -9.313 33.846 17.677 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.740 32.618 18.447 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.094 35.555 17.770 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.969 35.084 19.029 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.866 33.487 17.399 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.952 34.052 16.145 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.041 36.855 16.692 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.421 37.521 16.457 1.00 0.00 H new ATOM 1542 N TRP A 106 -9.183 33.252 20.029 1.00 0.00 N ATOM 1543 CA TRP A 106 -9.836 33.394 21.362 1.00 0.00 C ATOM 1544 C TRP A 106 -9.564 34.792 21.920 1.00 0.00 C ATOM 1545 O TRP A 106 -9.446 34.913 23.129 1.00 0.00 O ATOM 1546 CB TRP A 106 -9.272 32.342 22.319 1.00 0.00 C ATOM 1547 CG TRP A 106 -10.284 31.261 22.521 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -10.161 29.989 22.078 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -11.567 31.335 23.205 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -11.288 29.277 22.448 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -12.184 30.063 23.146 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -12.248 32.372 23.866 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -13.433 29.828 23.722 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -13.506 32.139 24.447 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -14.096 30.870 24.375 1.00 0.00 C ATOM 1556 OXT TRP A 106 -9.477 35.718 21.130 1.00 0.00 O ATOM 0 H TRP A 106 -9.749 32.796 19.314 1.00 0.00 H new ATOM 0 HA TRP A 106 -10.911 33.251 21.257 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -8.351 31.922 21.914 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -9.019 32.802 23.274 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -9.321 29.594 21.526 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.439 28.292 22.232 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -11.802 33.354 23.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -13.884 28.848 23.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -14.021 32.943 24.952 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -15.063 30.698 24.824 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -4.458 27.467 27.199 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -3.273 25.633 25.645 1.00 0.00 FE HETATM 1570 S1 FES A 107 -5.124 25.406 26.815 1.00 0.00 S HETATM 1571 S2 FES A 107 -2.686 27.735 25.926 1.00 0.00 S