USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 735 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 ARG N :NH3+ -113:sc= -0.0191 (180deg=-0.685) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -66:sc= 0.336 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.081) USER MOD Single : A 26 MET CE :methyl -169:sc= -9.87! (180deg=-10.4!) USER MOD Single : A 31 SER OG : rot 120:sc= -0.189 USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= -0.172 (180deg=-1.47!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 42 THR OG1 : rot 167:sc= 0.941 USER MOD Single : A 53 SER OG : rot -126:sc= -1.86 USER MOD Single : A 55 ASN : amide:sc= -3.5! C(o=-3.5!,f=-4.3!) USER MOD Single : A 60 SER OG : rot 180:sc= -1.82! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -8.95! C(o=-10!,f=-8.9!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -135:sc=-0.00115 (180deg=-0.0964) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -36:sc= -2.97 USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= 0.0432 (180deg=-0.0229) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 90:sc= 0.209 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 175:sc= 0.527 (180deg=0.483) USER MOD Single : B 5 SER OG : rot 100:sc= -2.3! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.047 -18.344 6.969 1.00 0.00 N ATOM 2 CA ARG A 1 -6.587 -17.340 7.977 1.00 0.00 C ATOM 3 C ARG A 1 -5.061 -17.215 7.948 1.00 0.00 C ATOM 4 O ARG A 1 -4.379 -17.977 7.292 1.00 0.00 O ATOM 5 CB ARG A 1 -7.069 -17.868 9.336 1.00 0.00 C ATOM 6 CG ARG A 1 -6.309 -19.148 9.704 1.00 0.00 C ATOM 7 CD ARG A 1 -5.301 -18.838 10.812 1.00 0.00 C ATOM 8 NE ARG A 1 -4.829 -20.171 11.283 1.00 0.00 N ATOM 9 CZ ARG A 1 -3.599 -20.319 11.689 1.00 0.00 C ATOM 10 NH1 ARG A 1 -2.614 -20.192 10.843 1.00 0.00 N ATOM 11 NH2 ARG A 1 -3.353 -20.596 12.941 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.582 -17.862 6.219 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.222 -18.822 6.554 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.657 -19.047 7.433 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.986 -16.346 7.773 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.915 -17.111 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.139 -18.070 9.298 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -7.007 -19.916 10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -5.794 -19.543 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.474 -18.236 10.437 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -5.764 -18.274 11.622 1.00 0.00 H new ATOM 0 HE ARG A 1 -5.468 -20.966 11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.807 -19.977 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.651 -20.308 11.160 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -4.123 -20.697 13.602 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.390 -20.712 13.258 1.00 0.00 H new ATOM 27 N ARG A 2 -4.523 -16.251 8.644 1.00 0.00 N ATOM 28 CA ARG A 2 -3.048 -16.070 8.642 1.00 0.00 C ATOM 29 C ARG A 2 -2.644 -15.093 9.755 1.00 0.00 C ATOM 30 O ARG A 2 -3.344 -14.141 10.041 1.00 0.00 O ATOM 31 CB ARG A 2 -2.749 -15.490 7.256 1.00 0.00 C ATOM 32 CG ARG A 2 -1.286 -15.059 7.166 1.00 0.00 C ATOM 33 CD ARG A 2 -0.529 -16.035 6.272 1.00 0.00 C ATOM 34 NE ARG A 2 0.860 -16.030 6.806 1.00 0.00 N ATOM 35 CZ ARG A 2 1.634 -17.064 6.617 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.646 -17.667 5.461 1.00 0.00 N ATOM 37 NH2 ARG A 2 2.398 -17.492 7.584 1.00 0.00 N ATOM 0 H ARG A 2 -5.043 -15.583 9.213 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.497 -16.992 8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.964 -16.234 6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.399 -14.637 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.216 -14.049 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.839 -15.037 8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.967 -17.032 6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.554 -15.719 5.229 1.00 0.00 H new ATOM 0 HE ARG A 2 1.207 -15.220 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.051 -17.331 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.251 -18.475 5.313 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.390 -17.019 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.003 -18.300 7.437 1.00 0.00 H new ATOM 51 N ARG A 3 -1.523 -15.319 10.385 1.00 0.00 N ATOM 52 CA ARG A 3 -1.084 -14.399 11.476 1.00 0.00 C ATOM 53 C ARG A 3 0.269 -13.773 11.130 1.00 0.00 C ATOM 54 O ARG A 3 1.165 -14.438 10.650 1.00 0.00 O ATOM 55 CB ARG A 3 -0.964 -15.285 12.718 1.00 0.00 C ATOM 56 CG ARG A 3 -2.302 -15.308 13.459 1.00 0.00 C ATOM 57 CD ARG A 3 -2.058 -15.540 14.951 1.00 0.00 C ATOM 58 NE ARG A 3 -1.520 -14.248 15.460 1.00 0.00 N ATOM 59 CZ ARG A 3 -2.202 -13.554 16.329 1.00 0.00 C ATOM 60 NH1 ARG A 3 -3.247 -12.872 15.946 1.00 0.00 N ATOM 61 NH2 ARG A 3 -1.840 -13.541 17.584 1.00 0.00 N ATOM 0 H ARG A 3 -0.893 -16.098 10.193 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.783 -13.577 11.628 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.678 -16.297 12.430 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.180 -14.907 13.373 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.829 -14.366 13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.938 -16.097 13.057 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.980 -15.813 15.464 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.351 -16.353 15.113 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.618 -13.906 15.129 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.531 -12.881 14.966 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.779 -12.330 16.626 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.024 -14.074 17.885 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.374 -12.998 18.263 1.00 0.00 H new ATOM 75 N VAL A 4 0.424 -12.496 11.361 1.00 0.00 N ATOM 76 CA VAL A 4 1.721 -11.835 11.036 1.00 0.00 C ATOM 77 C VAL A 4 2.066 -10.781 12.092 1.00 0.00 C ATOM 78 O VAL A 4 1.210 -10.306 12.813 1.00 0.00 O ATOM 79 CB VAL A 4 1.489 -11.178 9.676 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.779 -10.503 9.207 1.00 0.00 C ATOM 81 CG2 VAL A 4 1.072 -12.247 8.664 1.00 0.00 C ATOM 0 H VAL A 4 -0.289 -11.884 11.759 1.00 0.00 H new ATOM 0 HA VAL A 4 2.552 -12.540 11.018 1.00 0.00 H new ATOM 0 HB VAL A 4 0.702 -10.429 9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.613 -10.035 8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.076 -9.744 9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.569 -11.249 9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.905 -11.783 7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.861 -12.995 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.152 -12.727 8.999 1.00 0.00 H new ATOM 91 N THR A 5 3.317 -10.411 12.190 1.00 0.00 N ATOM 92 CA THR A 5 3.717 -9.388 13.198 1.00 0.00 C ATOM 93 C THR A 5 4.874 -8.536 12.663 1.00 0.00 C ATOM 94 O THR A 5 5.756 -9.024 11.986 1.00 0.00 O ATOM 95 CB THR A 5 4.165 -10.189 14.424 1.00 0.00 C ATOM 96 OG1 THR A 5 3.052 -10.894 14.957 1.00 0.00 O ATOM 97 CG2 THR A 5 4.726 -9.241 15.485 1.00 0.00 C ATOM 0 H THR A 5 4.077 -10.774 11.615 1.00 0.00 H new ATOM 0 HA THR A 5 2.902 -8.704 13.433 1.00 0.00 H new ATOM 0 HB THR A 5 4.940 -10.897 14.131 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.336 -11.409 15.741 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.043 -9.816 16.355 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.580 -8.701 15.076 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.955 -8.530 15.781 1.00 0.00 H new ATOM 105 N VAL A 6 4.879 -7.268 12.973 1.00 0.00 N ATOM 106 CA VAL A 6 5.982 -6.384 12.493 1.00 0.00 C ATOM 107 C VAL A 6 6.546 -5.575 13.665 1.00 0.00 C ATOM 108 O VAL A 6 5.854 -4.786 14.276 1.00 0.00 O ATOM 109 CB VAL A 6 5.338 -5.452 11.462 1.00 0.00 C ATOM 110 CG1 VAL A 6 6.360 -4.409 11.003 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.874 -6.266 10.255 1.00 0.00 C ATOM 0 H VAL A 6 4.167 -6.805 13.538 1.00 0.00 H new ATOM 0 HA VAL A 6 6.807 -6.952 12.062 1.00 0.00 H new ATOM 0 HB VAL A 6 4.483 -4.951 11.916 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.900 -3.747 10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.694 -3.825 11.860 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.215 -4.912 10.552 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.416 -5.602 9.522 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.730 -6.768 9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.145 -7.010 10.576 1.00 0.00 H new ATOM 121 N ARG A 7 7.798 -5.760 13.977 1.00 0.00 N ATOM 122 CA ARG A 7 8.401 -4.995 15.105 1.00 0.00 C ATOM 123 C ARG A 7 9.037 -3.707 14.578 1.00 0.00 C ATOM 124 O ARG A 7 10.161 -3.701 14.116 1.00 0.00 O ATOM 125 CB ARG A 7 9.460 -5.923 15.695 1.00 0.00 C ATOM 126 CG ARG A 7 8.811 -6.852 16.724 1.00 0.00 C ATOM 127 CD ARG A 7 9.877 -7.771 17.324 1.00 0.00 C ATOM 128 NE ARG A 7 10.083 -7.261 18.709 1.00 0.00 N ATOM 129 CZ ARG A 7 10.673 -8.012 19.598 1.00 0.00 C ATOM 130 NH1 ARG A 7 10.224 -9.212 19.842 1.00 0.00 N ATOM 131 NH2 ARG A 7 11.714 -7.560 20.244 1.00 0.00 N ATOM 0 H ARG A 7 8.429 -6.406 13.502 1.00 0.00 H new ATOM 0 HA ARG A 7 7.664 -4.703 15.853 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.926 -6.509 14.903 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.250 -5.338 16.165 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.336 -6.266 17.511 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.028 -7.445 16.252 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.546 -8.810 17.330 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.801 -7.734 16.747 1.00 0.00 H new ATOM 0 HE ARG A 7 9.763 -6.326 18.962 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.411 -9.565 19.338 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.686 -9.798 20.537 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.065 -6.621 20.053 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.177 -8.146 20.939 1.00 0.00 H new ATOM 145 N LYS A 8 8.322 -2.616 14.638 1.00 0.00 N ATOM 146 CA LYS A 8 8.878 -1.324 14.135 1.00 0.00 C ATOM 147 C LYS A 8 10.274 -1.072 14.715 1.00 0.00 C ATOM 148 O LYS A 8 10.451 -0.965 15.911 1.00 0.00 O ATOM 149 CB LYS A 8 7.898 -0.257 14.622 1.00 0.00 C ATOM 150 CG LYS A 8 6.561 -0.424 13.898 1.00 0.00 C ATOM 151 CD LYS A 8 6.271 0.827 13.066 1.00 0.00 C ATOM 152 CE LYS A 8 5.317 1.741 13.837 1.00 0.00 C ATOM 153 NZ LYS A 8 5.450 3.072 13.180 1.00 0.00 N ATOM 0 H LYS A 8 7.375 -2.562 15.014 1.00 0.00 H new ATOM 0 HA LYS A 8 8.986 -1.322 13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.754 -0.345 15.699 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.304 0.737 14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.591 -1.303 13.254 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.762 -0.586 14.621 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.199 1.354 12.847 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.830 0.547 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.291 1.375 13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.585 1.792 14.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.825 3.756 13.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.435 3.397 13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.182 2.993 12.178 1.00 0.00 H new ATOM 167 N ALA A 9 11.264 -0.971 13.870 1.00 0.00 N ATOM 168 CA ALA A 9 12.646 -0.720 14.368 1.00 0.00 C ATOM 169 C ALA A 9 12.862 0.782 14.572 1.00 0.00 C ATOM 170 O ALA A 9 12.776 1.563 13.645 1.00 0.00 O ATOM 171 CB ALA A 9 13.567 -1.250 13.269 1.00 0.00 C ATOM 0 H ALA A 9 11.175 -1.051 12.857 1.00 0.00 H new ATOM 0 HA ALA A 9 12.837 -1.205 15.325 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.606 -1.101 13.562 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.381 -2.314 13.120 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.371 -0.714 12.340 1.00 0.00 H new ATOM 177 N ASP A 10 13.137 1.193 15.781 1.00 0.00 N ATOM 178 CA ASP A 10 13.352 2.646 16.045 1.00 0.00 C ATOM 179 C ASP A 10 12.149 3.459 15.554 1.00 0.00 C ATOM 180 O ASP A 10 12.248 4.645 15.309 1.00 0.00 O ATOM 181 CB ASP A 10 14.608 3.016 15.256 1.00 0.00 C ATOM 182 CG ASP A 10 15.845 2.769 16.122 1.00 0.00 C ATOM 183 OD1 ASP A 10 16.297 1.636 16.164 1.00 0.00 O ATOM 184 OD2 ASP A 10 16.319 3.716 16.726 1.00 0.00 O ATOM 0 H ASP A 10 13.222 0.586 16.597 1.00 0.00 H new ATOM 0 HA ASP A 10 13.465 2.857 17.108 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.665 2.423 14.343 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.566 4.062 14.954 1.00 0.00 H new ATOM 189 N ALA A 11 11.014 2.829 15.410 1.00 0.00 N ATOM 190 CA ALA A 11 9.803 3.563 14.938 1.00 0.00 C ATOM 191 C ALA A 11 10.102 4.303 13.630 1.00 0.00 C ATOM 192 O ALA A 11 10.658 5.382 13.631 1.00 0.00 O ATOM 193 CB ALA A 11 9.484 4.558 16.054 1.00 0.00 C ATOM 0 H ALA A 11 10.872 1.837 15.599 1.00 0.00 H new ATOM 0 HA ALA A 11 8.968 2.891 14.737 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.603 5.139 15.783 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.291 4.016 16.980 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.331 5.229 16.196 1.00 0.00 H new ATOM 199 N GLY A 12 9.735 3.731 12.515 1.00 0.00 N ATOM 200 CA GLY A 12 9.997 4.404 11.211 1.00 0.00 C ATOM 201 C GLY A 12 8.733 4.362 10.347 1.00 0.00 C ATOM 202 O GLY A 12 7.955 5.294 10.325 1.00 0.00 O ATOM 0 H GLY A 12 9.266 2.828 12.451 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.301 5.437 11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.819 3.910 10.694 1.00 0.00 H new ATOM 206 N GLY A 13 8.521 3.288 9.632 1.00 0.00 N ATOM 207 CA GLY A 13 7.307 3.195 8.771 1.00 0.00 C ATOM 208 C GLY A 13 6.838 1.740 8.708 1.00 0.00 C ATOM 209 O GLY A 13 7.413 0.867 9.328 1.00 0.00 O ATOM 0 H GLY A 13 9.135 2.474 9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.514 3.827 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.530 3.560 7.769 1.00 0.00 H new ATOM 213 N LEU A 14 5.801 1.470 7.963 1.00 0.00 N ATOM 214 CA LEU A 14 5.302 0.067 7.864 1.00 0.00 C ATOM 215 C LEU A 14 5.290 -0.396 6.406 1.00 0.00 C ATOM 216 O LEU A 14 5.498 -1.556 6.113 1.00 0.00 O ATOM 217 CB LEU A 14 3.876 0.107 8.417 1.00 0.00 C ATOM 218 CG LEU A 14 3.755 -0.870 9.588 1.00 0.00 C ATOM 219 CD1 LEU A 14 2.451 -0.607 10.343 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.753 -2.305 9.054 1.00 0.00 C ATOM 0 H LEU A 14 5.278 2.157 7.420 1.00 0.00 H new ATOM 0 HA LEU A 14 5.936 -0.628 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.630 1.117 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.164 -0.156 7.635 1.00 0.00 H new ATOM 0 HG LEU A 14 4.599 -0.732 10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.366 -1.304 11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.450 0.415 10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.606 -0.744 9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.667 -3.003 9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.909 -2.441 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.682 -2.494 8.516 1.00 0.00 H new ATOM 232 N GLY A 15 5.041 0.499 5.488 1.00 0.00 N ATOM 233 CA GLY A 15 5.006 0.097 4.054 1.00 0.00 C ATOM 234 C GLY A 15 3.818 -0.831 3.830 1.00 0.00 C ATOM 235 O GLY A 15 3.917 -2.029 4.001 1.00 0.00 O ATOM 0 H GLY A 15 4.861 1.487 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.921 0.978 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.934 -0.406 3.781 1.00 0.00 H new ATOM 239 N ILE A 16 2.685 -0.293 3.468 1.00 0.00 N ATOM 240 CA ILE A 16 1.484 -1.162 3.262 1.00 0.00 C ATOM 241 C ILE A 16 0.280 -0.321 2.822 1.00 0.00 C ATOM 242 O ILE A 16 -0.180 0.545 3.538 1.00 0.00 O ATOM 243 CB ILE A 16 1.223 -1.818 4.638 1.00 0.00 C ATOM 244 CG1 ILE A 16 -0.172 -2.452 4.676 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.316 -0.769 5.750 1.00 0.00 C ATOM 246 CD1 ILE A 16 -0.189 -3.581 5.703 1.00 0.00 C ATOM 0 H ILE A 16 2.536 0.703 3.306 1.00 0.00 H new ATOM 0 HA ILE A 16 1.644 -1.906 2.481 1.00 0.00 H new ATOM 0 HB ILE A 16 1.978 -2.589 4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.918 -1.700 4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.435 -2.838 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.130 -1.243 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.312 -0.326 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.572 0.009 5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.181 -4.033 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.546 -4.336 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.055 -3.181 6.687 1.00 0.00 H new ATOM 258 N SER A 17 -0.249 -0.590 1.660 1.00 0.00 N ATOM 259 CA SER A 17 -1.438 0.175 1.198 1.00 0.00 C ATOM 260 C SER A 17 -2.683 -0.714 1.308 1.00 0.00 C ATOM 261 O SER A 17 -3.014 -1.450 0.400 1.00 0.00 O ATOM 262 CB SER A 17 -1.142 0.540 -0.260 1.00 0.00 C ATOM 263 OG SER A 17 -2.327 0.441 -1.039 1.00 0.00 O ATOM 0 H SER A 17 0.090 -1.303 1.014 1.00 0.00 H new ATOM 0 HA SER A 17 -1.627 1.069 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.745 1.553 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.377 -0.125 -0.661 1.00 0.00 H new ATOM 0 HG SER A 17 -2.614 -0.495 -1.080 1.00 0.00 H new ATOM 269 N ILE A 18 -3.364 -0.662 2.419 1.00 0.00 N ATOM 270 CA ILE A 18 -4.573 -1.517 2.591 1.00 0.00 C ATOM 271 C ILE A 18 -5.710 -1.054 1.679 1.00 0.00 C ATOM 272 O ILE A 18 -5.771 0.090 1.282 1.00 0.00 O ATOM 273 CB ILE A 18 -4.958 -1.361 4.059 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.291 0.101 4.349 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.785 -1.796 4.938 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.094 0.181 5.646 1.00 0.00 C ATOM 0 H ILE A 18 -3.137 -0.066 3.215 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.377 -2.556 2.325 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.829 -1.981 4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.375 0.685 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.863 0.527 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.057 -1.686 5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.544 -2.839 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.917 -1.174 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.336 1.222 5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.016 -0.391 5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.504 -0.231 6.465 1.00 0.00 H new ATOM 288 N LYS A 19 -6.611 -1.940 1.346 1.00 0.00 N ATOM 289 CA LYS A 19 -7.749 -1.557 0.461 1.00 0.00 C ATOM 290 C LYS A 19 -9.058 -2.143 1.003 1.00 0.00 C ATOM 291 O LYS A 19 -9.066 -2.881 1.967 1.00 0.00 O ATOM 292 CB LYS A 19 -7.415 -2.167 -0.899 1.00 0.00 C ATOM 293 CG LYS A 19 -6.560 -1.186 -1.703 1.00 0.00 C ATOM 294 CD LYS A 19 -6.793 -1.412 -3.198 1.00 0.00 C ATOM 295 CE LYS A 19 -7.611 -0.253 -3.768 1.00 0.00 C ATOM 296 NZ LYS A 19 -8.751 -0.901 -4.477 1.00 0.00 N ATOM 0 H LYS A 19 -6.608 -2.914 1.649 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.882 -0.477 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.880 -3.107 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.332 -2.396 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.815 -0.161 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.506 -1.325 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.838 -1.488 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.318 -2.354 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.963 0.409 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.015 0.354 -4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.360 -0.170 -4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.386 -1.520 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.304 -1.466 -3.801 1.00 0.00 H new ATOM 310 N GLY A 20 -10.165 -1.817 0.391 1.00 0.00 N ATOM 311 CA GLY A 20 -11.471 -2.354 0.873 1.00 0.00 C ATOM 312 C GLY A 20 -12.182 -1.283 1.700 1.00 0.00 C ATOM 313 O GLY A 20 -11.949 -0.102 1.534 1.00 0.00 O ATOM 0 H GLY A 20 -10.222 -1.203 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.091 -2.648 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.310 -3.248 1.475 1.00 0.00 H new ATOM 317 N GLY A 21 -13.047 -1.682 2.593 1.00 0.00 N ATOM 318 CA GLY A 21 -13.763 -0.678 3.427 1.00 0.00 C ATOM 319 C GLY A 21 -15.061 -1.279 3.965 1.00 0.00 C ATOM 320 O GLY A 21 -15.812 -1.912 3.248 1.00 0.00 O ATOM 0 H GLY A 21 -13.287 -2.656 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.128 -0.361 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.982 0.210 2.834 1.00 0.00 H new ATOM 324 N ARG A 22 -15.330 -1.083 5.227 1.00 0.00 N ATOM 325 CA ARG A 22 -16.578 -1.638 5.822 1.00 0.00 C ATOM 326 C ARG A 22 -17.815 -1.074 5.114 1.00 0.00 C ATOM 327 O ARG A 22 -18.901 -1.603 5.239 1.00 0.00 O ATOM 328 CB ARG A 22 -16.533 -1.201 7.286 1.00 0.00 C ATOM 329 CG ARG A 22 -17.632 -1.914 8.075 1.00 0.00 C ATOM 330 CD ARG A 22 -17.095 -2.282 9.459 1.00 0.00 C ATOM 331 NE ARG A 22 -17.430 -1.115 10.323 1.00 0.00 N ATOM 332 CZ ARG A 22 -18.572 -1.074 10.953 1.00 0.00 C ATOM 333 NH1 ARG A 22 -18.952 -2.089 11.682 1.00 0.00 N ATOM 334 NH2 ARG A 22 -19.338 -0.022 10.853 1.00 0.00 N ATOM 0 H ARG A 22 -14.738 -0.561 5.873 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.641 -2.721 5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.558 -1.432 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.664 -0.121 7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.506 -1.269 8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.954 -2.811 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.558 -3.196 9.832 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.020 -2.458 9.432 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.766 -0.347 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.356 -2.913 11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.845 -2.057 12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.044 0.770 10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.230 0.008 11.346 1.00 0.00 H new ATOM 348 N GLU A 23 -17.667 -0.015 4.359 1.00 0.00 N ATOM 349 CA GLU A 23 -18.844 0.549 3.642 1.00 0.00 C ATOM 350 C GLU A 23 -19.218 -0.357 2.465 1.00 0.00 C ATOM 351 O GLU A 23 -20.296 -0.260 1.912 1.00 0.00 O ATOM 352 CB GLU A 23 -18.396 1.925 3.150 1.00 0.00 C ATOM 353 CG GLU A 23 -19.307 2.998 3.750 1.00 0.00 C ATOM 354 CD GLU A 23 -18.537 4.314 3.865 1.00 0.00 C ATOM 355 OE1 GLU A 23 -18.303 4.932 2.840 1.00 0.00 O ATOM 356 OE2 GLU A 23 -18.195 4.682 4.977 1.00 0.00 O ATOM 0 H GLU A 23 -16.787 0.479 4.210 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.724 0.622 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.361 2.108 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.435 1.965 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.189 3.134 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.659 2.683 4.732 1.00 0.00 H new ATOM 363 N ASN A 24 -18.338 -1.247 2.082 1.00 0.00 N ATOM 364 CA ASN A 24 -18.645 -2.167 0.954 1.00 0.00 C ATOM 365 C ASN A 24 -18.589 -3.617 1.442 1.00 0.00 C ATOM 366 O ASN A 24 -18.403 -4.537 0.671 1.00 0.00 O ATOM 367 CB ASN A 24 -17.548 -1.905 -0.079 1.00 0.00 C ATOM 368 CG ASN A 24 -18.155 -1.226 -1.308 1.00 0.00 C ATOM 369 OD1 ASN A 24 -18.650 -1.886 -2.200 1.00 0.00 O ATOM 370 ND2 ASN A 24 -18.140 0.076 -1.392 1.00 0.00 N ATOM 0 H ASN A 24 -17.419 -1.374 2.505 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.639 -2.004 0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.771 -1.273 0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.073 -2.843 -0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.544 0.539 -2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.725 0.631 -0.643 1.00 0.00 H new ATOM 377 N LYS A 25 -18.743 -3.826 2.725 1.00 0.00 N ATOM 378 CA LYS A 25 -18.692 -5.215 3.266 1.00 0.00 C ATOM 379 C LYS A 25 -17.397 -5.898 2.822 1.00 0.00 C ATOM 380 O LYS A 25 -17.418 -6.926 2.174 1.00 0.00 O ATOM 381 CB LYS A 25 -19.908 -5.920 2.665 1.00 0.00 C ATOM 382 CG LYS A 25 -21.143 -5.628 3.521 1.00 0.00 C ATOM 383 CD LYS A 25 -21.578 -4.177 3.310 1.00 0.00 C ATOM 384 CE LYS A 25 -23.106 -4.090 3.346 1.00 0.00 C ATOM 385 NZ LYS A 25 -23.547 -4.536 1.994 1.00 0.00 N ATOM 0 H LYS A 25 -18.901 -3.095 3.419 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.710 -5.240 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.072 -5.578 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.732 -6.995 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.954 -6.305 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.919 -5.802 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.149 -3.542 4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.205 -3.810 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.520 -4.728 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.439 -3.073 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.149 -3.804 1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.714 -4.695 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.086 -5.421 2.079 1.00 0.00 H new ATOM 399 N MET A 26 -16.269 -5.329 3.156 1.00 0.00 N ATOM 400 CA MET A 26 -14.975 -5.945 2.739 1.00 0.00 C ATOM 401 C MET A 26 -13.948 -5.881 3.873 1.00 0.00 C ATOM 402 O MET A 26 -13.747 -4.834 4.457 1.00 0.00 O ATOM 403 CB MET A 26 -14.491 -5.087 1.567 1.00 0.00 C ATOM 404 CG MET A 26 -14.255 -5.966 0.334 1.00 0.00 C ATOM 405 SD MET A 26 -12.513 -5.885 -0.154 1.00 0.00 S ATOM 406 CE MET A 26 -11.836 -6.810 1.248 1.00 0.00 C ATOM 0 H MET A 26 -16.187 -4.468 3.697 1.00 0.00 H new ATOM 0 HA MET A 26 -15.099 -6.995 2.476 1.00 0.00 H new ATOM 0 HB2 MET A 26 -15.230 -4.318 1.339 1.00 0.00 H new ATOM 0 HB3 MET A 26 -13.569 -4.573 1.839 1.00 0.00 H new ATOM 0 HG2 MET A 26 -14.533 -6.997 0.553 1.00 0.00 H new ATOM 0 HG3 MET A 26 -14.888 -5.632 -0.488 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.750 -6.717 1.255 1.00 0.00 H new ATOM 0 HE2 MET A 26 -12.241 -6.410 2.178 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.109 -7.861 1.156 1.00 0.00 H new ATOM 416 N PRO A 27 -13.297 -6.988 4.130 1.00 0.00 N ATOM 417 CA PRO A 27 -12.253 -7.010 5.178 1.00 0.00 C ATOM 418 C PRO A 27 -11.069 -6.176 4.694 1.00 0.00 C ATOM 419 O PRO A 27 -10.625 -6.322 3.573 1.00 0.00 O ATOM 420 CB PRO A 27 -11.873 -8.485 5.282 1.00 0.00 C ATOM 421 CG PRO A 27 -12.231 -9.054 3.948 1.00 0.00 C ATOM 422 CD PRO A 27 -13.454 -8.302 3.488 1.00 0.00 C ATOM 0 HA PRO A 27 -12.572 -6.604 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.811 -8.608 5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.419 -8.981 6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.411 -8.934 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.435 -10.122 4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.491 -8.218 2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.373 -8.797 3.801 1.00 0.00 H new ATOM 430 N ILE A 28 -10.556 -5.299 5.512 1.00 0.00 N ATOM 431 CA ILE A 28 -9.398 -4.453 5.072 1.00 0.00 C ATOM 432 C ILE A 28 -8.316 -5.347 4.442 1.00 0.00 C ATOM 433 O ILE A 28 -7.533 -5.973 5.128 1.00 0.00 O ATOM 434 CB ILE A 28 -8.880 -3.767 6.345 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.029 -3.064 7.104 1.00 0.00 C ATOM 436 CG2 ILE A 28 -7.823 -2.729 5.966 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.905 -2.240 6.145 1.00 0.00 C ATOM 0 H ILE A 28 -10.883 -5.128 6.463 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.681 -3.716 4.320 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.448 -4.529 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.642 -3.808 7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.615 -2.413 7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.453 -2.240 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.996 -3.222 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.265 -1.984 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.705 -1.757 6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.295 -1.480 5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.337 -2.898 5.391 1.00 0.00 H new ATOM 449 N LEU A 29 -8.303 -5.437 3.135 1.00 0.00 N ATOM 450 CA LEU A 29 -7.315 -6.324 2.443 1.00 0.00 C ATOM 451 C LEU A 29 -6.136 -5.536 1.868 1.00 0.00 C ATOM 452 O LEU A 29 -6.304 -4.572 1.148 1.00 0.00 O ATOM 453 CB LEU A 29 -8.122 -6.987 1.321 1.00 0.00 C ATOM 454 CG LEU A 29 -7.272 -8.054 0.632 1.00 0.00 C ATOM 455 CD1 LEU A 29 -6.923 -9.147 1.636 1.00 0.00 C ATOM 456 CD2 LEU A 29 -8.061 -8.672 -0.520 1.00 0.00 C ATOM 0 H LEU A 29 -8.936 -4.933 2.515 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.872 -7.044 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.027 -7.437 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.438 -6.237 0.596 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.360 -7.596 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.317 -9.910 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.363 -8.714 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.840 -9.600 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.453 -9.433 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.972 -9.129 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.322 -7.896 -1.240 1.00 0.00 H new ATOM 468 N ILE A 30 -4.935 -5.961 2.178 1.00 0.00 N ATOM 469 CA ILE A 30 -3.728 -5.264 1.649 1.00 0.00 C ATOM 470 C ILE A 30 -3.678 -5.379 0.123 1.00 0.00 C ATOM 471 O ILE A 30 -3.972 -6.415 -0.440 1.00 0.00 O ATOM 472 CB ILE A 30 -2.545 -5.994 2.282 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.564 -5.778 3.795 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.234 -5.447 1.709 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.381 -6.515 4.423 1.00 0.00 C ATOM 0 H ILE A 30 -4.741 -6.764 2.777 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.725 -4.200 1.886 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.620 -7.059 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.507 -4.714 4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.501 -6.145 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.392 -5.970 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.217 -5.600 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.159 -4.381 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.390 -6.364 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.459 -7.580 4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.450 -6.127 4.010 1.00 0.00 H new ATOM 487 N SER A 31 -3.310 -4.325 -0.551 1.00 0.00 N ATOM 488 CA SER A 31 -3.245 -4.380 -2.040 1.00 0.00 C ATOM 489 C SER A 31 -1.833 -4.043 -2.532 1.00 0.00 C ATOM 490 O SER A 31 -1.430 -4.448 -3.605 1.00 0.00 O ATOM 491 CB SER A 31 -4.245 -3.326 -2.517 1.00 0.00 C ATOM 492 OG SER A 31 -4.324 -3.355 -3.935 1.00 0.00 O ATOM 0 H SER A 31 -3.052 -3.429 -0.137 1.00 0.00 H new ATOM 0 HA SER A 31 -3.480 -5.373 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.226 -3.518 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.936 -2.337 -2.180 1.00 0.00 H new ATOM 0 HG SER A 31 -5.243 -3.561 -4.207 1.00 0.00 H new ATOM 498 N LYS A 32 -1.079 -3.304 -1.764 1.00 0.00 N ATOM 499 CA LYS A 32 0.302 -2.946 -2.200 1.00 0.00 C ATOM 500 C LYS A 32 1.283 -3.076 -1.033 1.00 0.00 C ATOM 501 O LYS A 32 1.282 -2.275 -0.119 1.00 0.00 O ATOM 502 CB LYS A 32 0.215 -1.485 -2.641 1.00 0.00 C ATOM 503 CG LYS A 32 0.794 -1.326 -4.048 1.00 0.00 C ATOM 504 CD LYS A 32 1.669 -0.069 -4.091 1.00 0.00 C ATOM 505 CE LYS A 32 0.830 1.157 -3.714 1.00 0.00 C ATOM 506 NZ LYS A 32 -0.330 1.135 -4.650 1.00 0.00 N ATOM 0 H LYS A 32 -1.358 -2.933 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 32 0.657 -3.601 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.823 -1.154 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.761 -0.852 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.383 -2.204 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.011 -1.249 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.507 -0.174 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.090 0.059 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.501 1.105 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.405 2.077 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.714 2.096 -4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.019 0.789 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.067 0.504 -4.275 1.00 0.00 H new ATOM 520 N ILE A 33 2.135 -4.062 -1.064 1.00 0.00 N ATOM 521 CA ILE A 33 3.125 -4.214 0.039 1.00 0.00 C ATOM 522 C ILE A 33 4.431 -3.530 -0.371 1.00 0.00 C ATOM 523 O ILE A 33 5.172 -4.015 -1.202 1.00 0.00 O ATOM 524 CB ILE A 33 3.293 -5.729 0.220 1.00 0.00 C ATOM 525 CG1 ILE A 33 2.086 -6.266 0.987 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.565 -6.042 1.015 1.00 0.00 C ATOM 527 CD1 ILE A 33 2.015 -5.603 2.366 1.00 0.00 C ATOM 0 H ILE A 33 2.189 -4.766 -1.800 1.00 0.00 H new ATOM 0 HA ILE A 33 2.811 -3.753 0.976 1.00 0.00 H new ATOM 0 HB ILE A 33 3.368 -6.198 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.171 -6.067 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.164 -7.348 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.665 -7.121 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.432 -5.653 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.504 -5.575 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.153 -5.988 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.925 -5.824 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.916 -4.524 2.246 1.00 0.00 H new ATOM 539 N PHE A 34 4.694 -2.392 0.202 1.00 0.00 N ATOM 540 CA PHE A 34 5.928 -1.639 -0.147 1.00 0.00 C ATOM 541 C PHE A 34 7.167 -2.505 0.084 1.00 0.00 C ATOM 542 O PHE A 34 7.294 -3.165 1.092 1.00 0.00 O ATOM 543 CB PHE A 34 5.907 -0.427 0.787 1.00 0.00 C ATOM 544 CG PHE A 34 5.072 0.662 0.153 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.802 0.369 -0.372 1.00 0.00 C ATOM 546 CD2 PHE A 34 5.577 1.963 0.060 1.00 0.00 C ATOM 547 CE1 PHE A 34 3.053 1.370 -0.987 1.00 0.00 C ATOM 548 CE2 PHE A 34 4.820 2.964 -0.548 1.00 0.00 C ATOM 549 CZ PHE A 34 3.560 2.668 -1.076 1.00 0.00 C ATOM 0 H PHE A 34 4.102 -1.947 0.903 1.00 0.00 H new ATOM 0 HA PHE A 34 5.963 -1.344 -1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.492 -0.705 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.921 -0.070 0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.406 -0.633 -0.299 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.554 2.193 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.080 1.142 -1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.208 3.970 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.979 3.443 -1.553 1.00 0.00 H new ATOM 559 N LYS A 35 8.080 -2.516 -0.852 1.00 0.00 N ATOM 560 CA LYS A 35 9.308 -3.348 -0.688 1.00 0.00 C ATOM 561 C LYS A 35 10.324 -2.628 0.201 1.00 0.00 C ATOM 562 O LYS A 35 10.282 -1.426 0.358 1.00 0.00 O ATOM 563 CB LYS A 35 9.861 -3.525 -2.102 1.00 0.00 C ATOM 564 CG LYS A 35 9.880 -5.012 -2.460 1.00 0.00 C ATOM 565 CD LYS A 35 8.555 -5.394 -3.122 1.00 0.00 C ATOM 566 CE LYS A 35 8.820 -6.366 -4.272 1.00 0.00 C ATOM 567 NZ LYS A 35 7.725 -7.373 -4.182 1.00 0.00 N ATOM 0 H LYS A 35 8.028 -1.985 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 35 9.095 -4.305 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.247 -2.976 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.868 -3.112 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.710 -5.224 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.037 -5.611 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.890 -5.853 -2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.052 -4.502 -3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.807 -5.853 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.798 -6.836 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.837 -8.076 -4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.766 -7.849 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.806 -6.897 -4.285 1.00 0.00 H new ATOM 581 N GLY A 36 11.236 -3.355 0.786 1.00 0.00 N ATOM 582 CA GLY A 36 12.245 -2.707 1.668 1.00 0.00 C ATOM 583 C GLY A 36 11.530 -1.991 2.816 1.00 0.00 C ATOM 584 O GLY A 36 12.082 -1.117 3.455 1.00 0.00 O ATOM 0 H GLY A 36 11.325 -4.367 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.933 -3.455 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.841 -1.996 1.096 1.00 0.00 H new ATOM 588 N LEU A 37 10.300 -2.352 3.083 1.00 0.00 N ATOM 589 CA LEU A 37 9.549 -1.695 4.188 1.00 0.00 C ATOM 590 C LEU A 37 9.361 -2.685 5.346 1.00 0.00 C ATOM 591 O LEU A 37 9.595 -3.868 5.203 1.00 0.00 O ATOM 592 CB LEU A 37 8.200 -1.316 3.571 1.00 0.00 C ATOM 593 CG LEU A 37 8.185 0.175 3.203 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.427 1.015 4.454 1.00 0.00 C ATOM 595 CD2 LEU A 37 9.271 0.467 2.168 1.00 0.00 C ATOM 0 H LEU A 37 9.785 -3.075 2.580 1.00 0.00 H new ATOM 0 HA LEU A 37 10.067 -0.825 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.016 -1.919 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.396 -1.532 4.275 1.00 0.00 H new ATOM 0 HG LEU A 37 7.213 0.429 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.416 2.072 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.643 0.815 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.396 0.758 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.254 1.526 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.246 0.209 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.088 -0.126 1.272 1.00 0.00 H new ATOM 607 N ALA A 38 8.948 -2.215 6.491 1.00 0.00 N ATOM 608 CA ALA A 38 8.760 -3.138 7.652 1.00 0.00 C ATOM 609 C ALA A 38 7.791 -4.271 7.300 1.00 0.00 C ATOM 610 O ALA A 38 8.160 -5.428 7.261 1.00 0.00 O ATOM 611 CB ALA A 38 8.169 -2.269 8.762 1.00 0.00 C ATOM 0 H ALA A 38 8.732 -1.235 6.675 1.00 0.00 H new ATOM 0 HA ALA A 38 9.699 -3.607 7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.002 -2.878 9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.862 -1.462 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.221 -1.847 8.428 1.00 0.00 H new ATOM 617 N ALA A 39 6.550 -3.947 7.063 1.00 0.00 N ATOM 618 CA ALA A 39 5.543 -5.001 6.734 1.00 0.00 C ATOM 619 C ALA A 39 6.074 -5.964 5.664 1.00 0.00 C ATOM 620 O ALA A 39 5.818 -7.151 5.706 1.00 0.00 O ATOM 621 CB ALA A 39 4.330 -4.236 6.203 1.00 0.00 C ATOM 0 H ALA A 39 6.186 -2.994 7.083 1.00 0.00 H new ATOM 0 HA ALA A 39 5.304 -5.611 7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.542 -4.941 5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.964 -3.556 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.618 -3.665 5.320 1.00 0.00 H new ATOM 627 N ASP A 40 6.799 -5.467 4.703 1.00 0.00 N ATOM 628 CA ASP A 40 7.326 -6.364 3.635 1.00 0.00 C ATOM 629 C ASP A 40 8.665 -6.989 4.051 1.00 0.00 C ATOM 630 O ASP A 40 9.192 -7.846 3.369 1.00 0.00 O ATOM 631 CB ASP A 40 7.505 -5.457 2.417 1.00 0.00 C ATOM 632 CG ASP A 40 8.161 -6.245 1.280 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.379 -6.300 1.249 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.434 -6.780 0.459 1.00 0.00 O ATOM 0 H ASP A 40 7.050 -4.483 4.609 1.00 0.00 H new ATOM 0 HA ASP A 40 6.653 -7.197 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.538 -5.070 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.121 -4.597 2.679 1.00 0.00 H new ATOM 639 N GLN A 41 9.222 -6.579 5.159 1.00 0.00 N ATOM 640 CA GLN A 41 10.523 -7.169 5.594 1.00 0.00 C ATOM 641 C GLN A 41 10.302 -8.276 6.635 1.00 0.00 C ATOM 642 O GLN A 41 11.239 -8.903 7.086 1.00 0.00 O ATOM 643 CB GLN A 41 11.307 -6.011 6.216 1.00 0.00 C ATOM 644 CG GLN A 41 12.091 -5.262 5.132 1.00 0.00 C ATOM 645 CD GLN A 41 12.937 -4.167 5.785 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.586 -2.917 5.651 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 13.931 -4.453 6.424 1.00 0.00 N flip ATOM 0 H GLN A 41 8.837 -5.866 5.778 1.00 0.00 H new ATOM 0 HA GLN A 41 11.054 -7.624 4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.623 -5.327 6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.992 -6.391 6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.731 -5.955 4.586 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.404 -4.824 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.206 -5.430 6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.490 -3.716 6.855 1.00 0.00 H new ATOM 656 N THR A 42 9.078 -8.528 7.022 1.00 0.00 N ATOM 657 CA THR A 42 8.831 -9.597 8.035 1.00 0.00 C ATOM 658 C THR A 42 8.417 -10.908 7.351 1.00 0.00 C ATOM 659 O THR A 42 7.950 -11.827 7.996 1.00 0.00 O ATOM 660 CB THR A 42 7.698 -9.063 8.917 1.00 0.00 C ATOM 661 OG1 THR A 42 7.397 -10.017 9.926 1.00 0.00 O ATOM 662 CG2 THR A 42 6.451 -8.808 8.070 1.00 0.00 C ATOM 0 H THR A 42 8.246 -8.045 6.684 1.00 0.00 H new ATOM 0 HA THR A 42 9.726 -9.820 8.616 1.00 0.00 H new ATOM 0 HB THR A 42 8.014 -8.127 9.377 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.827 -9.604 10.607 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.651 -8.429 8.706 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.680 -8.074 7.297 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.132 -9.739 7.602 1.00 0.00 H new ATOM 670 N GLU A 43 8.598 -11.007 6.057 1.00 0.00 N ATOM 671 CA GLU A 43 8.227 -12.263 5.332 1.00 0.00 C ATOM 672 C GLU A 43 6.843 -12.766 5.768 1.00 0.00 C ATOM 673 O GLU A 43 6.701 -13.871 6.254 1.00 0.00 O ATOM 674 CB GLU A 43 9.310 -13.270 5.720 1.00 0.00 C ATOM 675 CG GLU A 43 10.632 -12.875 5.059 1.00 0.00 C ATOM 676 CD GLU A 43 11.442 -14.133 4.742 1.00 0.00 C ATOM 677 OE1 GLU A 43 10.850 -15.093 4.276 1.00 0.00 O ATOM 678 OE2 GLU A 43 12.641 -14.117 4.971 1.00 0.00 O ATOM 0 H GLU A 43 8.988 -10.270 5.469 1.00 0.00 H new ATOM 0 HA GLU A 43 8.169 -12.108 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.426 -13.296 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.019 -14.272 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.440 -12.314 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.200 -12.221 5.721 1.00 0.00 H new ATOM 685 N ALA A 44 5.825 -11.969 5.595 1.00 0.00 N ATOM 686 CA ALA A 44 4.456 -12.409 5.998 1.00 0.00 C ATOM 687 C ALA A 44 3.422 -11.372 5.565 1.00 0.00 C ATOM 688 O ALA A 44 2.425 -11.699 4.951 1.00 0.00 O ATOM 689 CB ALA A 44 4.504 -12.522 7.519 1.00 0.00 C ATOM 0 H ALA A 44 5.880 -11.033 5.193 1.00 0.00 H new ATOM 0 HA ALA A 44 4.172 -13.353 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.531 -12.842 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.260 -13.253 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.755 -11.552 7.948 1.00 0.00 H new ATOM 695 N LEU A 45 3.648 -10.121 5.860 1.00 0.00 N ATOM 696 CA LEU A 45 2.669 -9.089 5.428 1.00 0.00 C ATOM 697 C LEU A 45 2.769 -8.938 3.911 1.00 0.00 C ATOM 698 O LEU A 45 3.462 -8.084 3.394 1.00 0.00 O ATOM 699 CB LEU A 45 3.070 -7.806 6.156 1.00 0.00 C ATOM 700 CG LEU A 45 1.999 -7.476 7.200 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.500 -6.363 8.121 1.00 0.00 C ATOM 702 CD2 LEU A 45 0.723 -7.017 6.494 1.00 0.00 C ATOM 0 H LEU A 45 4.457 -9.774 6.375 1.00 0.00 H new ATOM 0 HA LEU A 45 1.636 -9.344 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.040 -7.932 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.171 -6.985 5.446 1.00 0.00 H new ATOM 0 HG LEU A 45 1.788 -8.366 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.735 -6.132 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.408 -6.691 8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.715 -5.472 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.039 -6.782 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.936 -6.129 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.362 -7.812 5.842 1.00 0.00 H new ATOM 714 N PHE A 46 2.085 -9.790 3.203 1.00 0.00 N ATOM 715 CA PHE A 46 2.124 -9.753 1.704 1.00 0.00 C ATOM 716 C PHE A 46 0.770 -9.297 1.154 1.00 0.00 C ATOM 717 O PHE A 46 -0.251 -9.479 1.779 1.00 0.00 O ATOM 718 CB PHE A 46 2.448 -11.191 1.201 1.00 0.00 C ATOM 719 CG PHE A 46 2.091 -12.264 2.216 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.758 -12.463 2.598 1.00 0.00 C ATOM 721 CD2 PHE A 46 3.103 -13.057 2.775 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.439 -13.449 3.537 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.782 -14.044 3.712 1.00 0.00 C ATOM 724 CZ PHE A 46 1.452 -14.240 4.092 1.00 0.00 C ATOM 0 H PHE A 46 1.492 -10.521 3.597 1.00 0.00 H new ATOM 0 HA PHE A 46 2.883 -9.050 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.905 -11.378 0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.510 -11.258 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.024 -11.855 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.131 -12.905 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.588 -13.600 3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.562 -14.655 4.142 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.205 -15.003 4.815 1.00 0.00 H new ATOM 734 N VAL A 47 0.746 -8.702 -0.012 1.00 0.00 N ATOM 735 CA VAL A 47 -0.554 -8.241 -0.584 1.00 0.00 C ATOM 736 C VAL A 47 -1.575 -9.383 -0.537 1.00 0.00 C ATOM 737 O VAL A 47 -1.218 -10.545 -0.549 1.00 0.00 O ATOM 738 CB VAL A 47 -0.244 -7.848 -2.031 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.542 -7.465 -2.744 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.712 -6.652 -2.046 1.00 0.00 C ATOM 0 H VAL A 47 1.566 -8.517 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.980 -7.406 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 47 0.221 -8.691 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.322 -7.185 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.225 -8.314 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.005 -6.622 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.931 -6.374 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.248 -5.809 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.638 -6.920 -1.538 1.00 0.00 H new ATOM 750 N GLY A 48 -2.834 -9.068 -0.458 1.00 0.00 N ATOM 751 CA GLY A 48 -3.858 -10.145 -0.382 1.00 0.00 C ATOM 752 C GLY A 48 -4.004 -10.575 1.078 1.00 0.00 C ATOM 753 O GLY A 48 -4.376 -11.693 1.375 1.00 0.00 O ATOM 0 H GLY A 48 -3.199 -8.116 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.812 -9.788 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.562 -10.993 -0.999 1.00 0.00 H new ATOM 757 N ASP A 49 -3.701 -9.693 1.993 1.00 0.00 N ATOM 758 CA ASP A 49 -3.806 -10.038 3.439 1.00 0.00 C ATOM 759 C ASP A 49 -4.946 -9.254 4.100 1.00 0.00 C ATOM 760 O ASP A 49 -4.799 -8.095 4.434 1.00 0.00 O ATOM 761 CB ASP A 49 -2.462 -9.615 4.031 1.00 0.00 C ATOM 762 CG ASP A 49 -1.422 -10.713 3.797 1.00 0.00 C ATOM 763 OD1 ASP A 49 -1.813 -11.804 3.413 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.252 -10.443 4.011 1.00 0.00 O ATOM 0 H ASP A 49 -3.384 -8.743 1.799 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.020 -11.095 3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.130 -8.684 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.569 -9.425 5.099 1.00 0.00 H new ATOM 769 N ALA A 50 -6.084 -9.872 4.287 1.00 0.00 N ATOM 770 CA ALA A 50 -7.223 -9.146 4.929 1.00 0.00 C ATOM 771 C ALA A 50 -7.026 -9.064 6.443 1.00 0.00 C ATOM 772 O ALA A 50 -7.110 -10.049 7.148 1.00 0.00 O ATOM 773 CB ALA A 50 -8.468 -9.962 4.582 1.00 0.00 C ATOM 0 H ALA A 50 -6.274 -10.840 4.026 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.304 -8.119 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.347 -9.489 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.583 -10.008 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.363 -10.972 4.979 1.00 0.00 H new ATOM 779 N ILE A 51 -6.765 -7.886 6.948 1.00 0.00 N ATOM 780 CA ILE A 51 -6.564 -7.729 8.416 1.00 0.00 C ATOM 781 C ILE A 51 -7.913 -7.699 9.134 1.00 0.00 C ATOM 782 O ILE A 51 -8.832 -7.020 8.720 1.00 0.00 O ATOM 783 CB ILE A 51 -5.858 -6.385 8.581 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.509 -6.424 7.862 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.638 -6.108 10.070 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.801 -5.081 8.046 1.00 0.00 C ATOM 0 H ILE A 51 -6.683 -7.026 6.405 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.988 -8.553 8.838 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.473 -5.595 8.150 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.894 -7.230 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.655 -6.629 6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.134 -5.149 10.191 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.600 -6.079 10.581 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.023 -6.898 10.500 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.838 -5.104 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.416 -4.285 7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.643 -4.895 9.108 1.00 0.00 H new ATOM 798 N LEU A 52 -8.037 -8.419 10.212 1.00 0.00 N ATOM 799 CA LEU A 52 -9.332 -8.415 10.959 1.00 0.00 C ATOM 800 C LEU A 52 -9.100 -8.047 12.434 1.00 0.00 C ATOM 801 O LEU A 52 -9.985 -8.169 13.257 1.00 0.00 O ATOM 802 CB LEU A 52 -9.883 -9.843 10.841 1.00 0.00 C ATOM 803 CG LEU A 52 -10.577 -10.048 9.482 1.00 0.00 C ATOM 804 CD1 LEU A 52 -11.639 -8.966 9.255 1.00 0.00 C ATOM 805 CD2 LEU A 52 -9.539 -9.985 8.360 1.00 0.00 C ATOM 0 H LEU A 52 -7.305 -9.008 10.609 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.029 -7.681 10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.071 -10.562 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.590 -10.033 11.648 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.061 -11.024 9.481 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.120 -9.125 8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.387 -9.018 10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.166 -7.984 9.267 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.033 -10.130 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.048 -9.012 8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.795 -10.768 8.508 1.00 0.00 H new ATOM 817 N SER A 53 -7.919 -7.589 12.774 1.00 0.00 N ATOM 818 CA SER A 53 -7.632 -7.202 14.192 1.00 0.00 C ATOM 819 C SER A 53 -6.163 -6.799 14.331 1.00 0.00 C ATOM 820 O SER A 53 -5.306 -7.621 14.586 1.00 0.00 O ATOM 821 CB SER A 53 -7.925 -8.435 15.056 1.00 0.00 C ATOM 822 OG SER A 53 -7.933 -9.609 14.253 1.00 0.00 O ATOM 0 H SER A 53 -7.139 -7.466 12.128 1.00 0.00 H new ATOM 0 HA SER A 53 -8.244 -6.355 14.502 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.172 -8.527 15.839 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.888 -8.319 15.553 1.00 0.00 H new ATOM 0 HG SER A 53 -8.774 -10.093 14.390 1.00 0.00 H new ATOM 828 N VAL A 54 -5.867 -5.543 14.157 1.00 0.00 N ATOM 829 CA VAL A 54 -4.450 -5.092 14.272 1.00 0.00 C ATOM 830 C VAL A 54 -4.019 -5.015 15.743 1.00 0.00 C ATOM 831 O VAL A 54 -4.653 -4.373 16.551 1.00 0.00 O ATOM 832 CB VAL A 54 -4.414 -3.706 13.621 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.768 -3.828 12.139 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.423 -2.785 14.304 1.00 0.00 C ATOM 0 H VAL A 54 -6.542 -4.809 13.941 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.763 -5.786 13.787 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.413 -3.289 13.727 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.742 -2.841 11.676 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.047 -4.479 11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.768 -4.250 12.037 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.392 -1.801 13.836 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.424 -3.204 14.203 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.174 -2.692 15.361 1.00 0.00 H new ATOM 844 N ASN A 55 -2.932 -5.669 16.076 1.00 0.00 N ATOM 845 CA ASN A 55 -2.399 -5.669 17.481 1.00 0.00 C ATOM 846 C ASN A 55 -3.513 -5.697 18.540 1.00 0.00 C ATOM 847 O ASN A 55 -3.415 -5.051 19.564 1.00 0.00 O ATOM 848 CB ASN A 55 -1.554 -4.390 17.613 1.00 0.00 C ATOM 849 CG ASN A 55 -2.386 -3.160 17.252 1.00 0.00 C ATOM 850 OD1 ASN A 55 -3.337 -2.833 17.933 1.00 0.00 O ATOM 851 ND2 ASN A 55 -2.065 -2.460 16.199 1.00 0.00 N ATOM 0 H ASN A 55 -2.377 -6.217 15.418 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.812 -6.570 17.659 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.181 -4.297 18.633 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.684 -4.453 16.959 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.613 -1.637 15.947 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.266 -2.735 15.628 1.00 0.00 H new ATOM 858 N GLY A 56 -4.551 -6.461 18.327 1.00 0.00 N ATOM 859 CA GLY A 56 -5.632 -6.541 19.357 1.00 0.00 C ATOM 860 C GLY A 56 -6.798 -5.607 19.009 1.00 0.00 C ATOM 861 O GLY A 56 -7.825 -5.630 19.660 1.00 0.00 O ATOM 0 H GLY A 56 -4.698 -7.029 17.493 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.993 -7.567 19.430 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.228 -6.275 20.334 1.00 0.00 H new ATOM 865 N GLU A 57 -6.666 -4.786 18.001 1.00 0.00 N ATOM 866 CA GLU A 57 -7.787 -3.870 17.649 1.00 0.00 C ATOM 867 C GLU A 57 -8.717 -4.550 16.648 1.00 0.00 C ATOM 868 O GLU A 57 -8.512 -4.472 15.454 1.00 0.00 O ATOM 869 CB GLU A 57 -7.125 -2.644 17.021 1.00 0.00 C ATOM 870 CG GLU A 57 -7.461 -1.402 17.850 1.00 0.00 C ATOM 871 CD GLU A 57 -7.915 -0.275 16.920 1.00 0.00 C ATOM 872 OE1 GLU A 57 -7.419 -0.218 15.807 1.00 0.00 O ATOM 873 OE2 GLU A 57 -8.749 0.511 17.337 1.00 0.00 O ATOM 0 H GLU A 57 -5.837 -4.711 17.411 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.389 -3.600 18.517 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.045 -2.783 16.977 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.472 -2.515 15.996 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.247 -1.633 18.569 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.588 -1.087 18.422 1.00 0.00 H new ATOM 880 N ASP A 58 -9.735 -5.219 17.130 1.00 0.00 N ATOM 881 CA ASP A 58 -10.691 -5.922 16.216 1.00 0.00 C ATOM 882 C ASP A 58 -11.066 -5.031 15.028 1.00 0.00 C ATOM 883 O ASP A 58 -11.722 -4.020 15.178 1.00 0.00 O ATOM 884 CB ASP A 58 -11.922 -6.203 17.078 1.00 0.00 C ATOM 885 CG ASP A 58 -11.555 -7.191 18.185 1.00 0.00 C ATOM 886 OD1 ASP A 58 -10.935 -8.195 17.875 1.00 0.00 O ATOM 887 OD2 ASP A 58 -11.901 -6.927 19.326 1.00 0.00 O ATOM 0 H ASP A 58 -9.947 -5.309 18.124 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.259 -6.831 15.798 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.294 -5.275 17.513 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.724 -6.611 16.463 1.00 0.00 H new ATOM 892 N LEU A 59 -10.644 -5.397 13.849 1.00 0.00 N ATOM 893 CA LEU A 59 -10.964 -4.568 12.655 1.00 0.00 C ATOM 894 C LEU A 59 -12.116 -5.186 11.850 1.00 0.00 C ATOM 895 O LEU A 59 -12.598 -4.602 10.900 1.00 0.00 O ATOM 896 CB LEU A 59 -9.676 -4.557 11.831 1.00 0.00 C ATOM 897 CG LEU A 59 -9.051 -3.161 11.878 1.00 0.00 C ATOM 898 CD1 LEU A 59 -10.043 -2.141 11.320 1.00 0.00 C ATOM 899 CD2 LEU A 59 -8.711 -2.804 13.325 1.00 0.00 C ATOM 0 H LEU A 59 -10.092 -6.234 13.662 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.288 -3.564 12.930 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.975 -5.294 12.223 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.889 -4.837 10.799 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.141 -3.149 11.278 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.599 -1.146 11.353 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.286 -2.396 10.288 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.953 -2.152 11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.266 -1.810 13.359 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.620 -2.815 13.926 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.004 -3.532 13.723 1.00 0.00 H new ATOM 911 N SER A 60 -12.566 -6.358 12.216 1.00 0.00 N ATOM 912 CA SER A 60 -13.684 -6.991 11.459 1.00 0.00 C ATOM 913 C SER A 60 -14.891 -6.047 11.405 1.00 0.00 C ATOM 914 O SER A 60 -15.635 -6.033 10.445 1.00 0.00 O ATOM 915 CB SER A 60 -14.028 -8.258 12.242 1.00 0.00 C ATOM 916 OG SER A 60 -13.006 -9.225 12.051 1.00 0.00 O ATOM 0 H SER A 60 -12.209 -6.901 13.002 1.00 0.00 H new ATOM 0 HA SER A 60 -13.409 -7.212 10.428 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.131 -8.026 13.302 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.986 -8.656 11.908 1.00 0.00 H new ATOM 0 HG SER A 60 -13.226 -10.037 12.554 1.00 0.00 H new ATOM 922 N SER A 61 -15.093 -5.259 12.426 1.00 0.00 N ATOM 923 CA SER A 61 -16.253 -4.321 12.425 1.00 0.00 C ATOM 924 C SER A 61 -15.765 -2.871 12.367 1.00 0.00 C ATOM 925 O SER A 61 -16.350 -1.985 12.959 1.00 0.00 O ATOM 926 CB SER A 61 -16.982 -4.588 13.743 1.00 0.00 C ATOM 927 OG SER A 61 -17.452 -5.928 13.761 1.00 0.00 O ATOM 0 H SER A 61 -14.506 -5.224 13.260 1.00 0.00 H new ATOM 0 HA SER A 61 -16.902 -4.471 11.562 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.310 -4.416 14.584 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.817 -3.897 13.855 1.00 0.00 H new ATOM 0 HG SER A 61 -17.918 -6.100 14.606 1.00 0.00 H new ATOM 933 N ALA A 62 -14.698 -2.620 11.658 1.00 0.00 N ATOM 934 CA ALA A 62 -14.175 -1.226 11.563 1.00 0.00 C ATOM 935 C ALA A 62 -14.134 -0.776 10.102 1.00 0.00 C ATOM 936 O ALA A 62 -14.005 -1.579 9.201 1.00 0.00 O ATOM 937 CB ALA A 62 -12.763 -1.295 12.137 1.00 0.00 C ATOM 0 H ALA A 62 -14.166 -3.319 11.140 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.801 -0.513 12.099 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.308 -0.305 12.103 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.807 -1.639 13.170 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.165 -1.990 11.548 1.00 0.00 H new ATOM 943 N THR A 63 -14.236 0.502 9.862 1.00 0.00 N ATOM 944 CA THR A 63 -14.197 1.001 8.456 1.00 0.00 C ATOM 945 C THR A 63 -12.748 1.111 7.984 1.00 0.00 C ATOM 946 O THR A 63 -11.828 1.071 8.776 1.00 0.00 O ATOM 947 CB THR A 63 -14.859 2.378 8.506 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.315 3.125 9.585 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.367 2.211 8.706 1.00 0.00 C ATOM 0 H THR A 63 -14.344 1.222 10.576 1.00 0.00 H new ATOM 0 HA THR A 63 -14.708 0.335 7.761 1.00 0.00 H new ATOM 0 HB THR A 63 -14.674 2.906 7.571 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.737 4.009 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.840 3.192 8.742 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.783 1.638 7.877 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.554 1.684 9.642 1.00 0.00 H new ATOM 957 N HIS A 64 -12.528 1.244 6.702 1.00 0.00 N ATOM 958 CA HIS A 64 -11.125 1.351 6.207 1.00 0.00 C ATOM 959 C HIS A 64 -10.386 2.461 6.967 1.00 0.00 C ATOM 960 O HIS A 64 -9.179 2.425 7.111 1.00 0.00 O ATOM 961 CB HIS A 64 -11.232 1.677 4.711 1.00 0.00 C ATOM 962 CG HIS A 64 -9.856 1.937 4.162 1.00 0.00 C ATOM 963 ND1 HIS A 64 -8.911 2.872 4.488 1.00 0.00 N flip ATOM 964 CD2 HIS A 64 -9.294 1.166 3.156 1.00 0.00 C flip ATOM 965 CE1 HIS A 64 -7.780 2.694 3.703 1.00 0.00 C flip ATOM 966 NE2 HIS A 64 -8.062 1.652 2.919 1.00 0.00 N flip ATOM 0 H HIS A 64 -13.251 1.283 5.984 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.562 0.431 6.364 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.698 0.848 4.178 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.867 2.550 4.561 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.759 0.330 2.655 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.869 3.274 3.723 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.421 1.270 2.224 1.00 0.00 H new ATOM 974 N ASP A 65 -11.096 3.434 7.472 1.00 0.00 N ATOM 975 CA ASP A 65 -10.421 4.519 8.237 1.00 0.00 C ATOM 976 C ASP A 65 -9.998 3.975 9.599 1.00 0.00 C ATOM 977 O ASP A 65 -8.884 4.169 10.043 1.00 0.00 O ATOM 978 CB ASP A 65 -11.473 5.617 8.394 1.00 0.00 C ATOM 979 CG ASP A 65 -11.550 6.438 7.106 1.00 0.00 C ATOM 980 OD1 ASP A 65 -10.641 7.214 6.866 1.00 0.00 O ATOM 981 OD2 ASP A 65 -12.519 6.278 6.381 1.00 0.00 O ATOM 0 H ASP A 65 -12.109 3.524 7.388 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.528 4.898 7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.445 5.175 8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.218 6.262 9.234 1.00 0.00 H new ATOM 986 N GLU A 66 -10.881 3.271 10.252 1.00 0.00 N ATOM 987 CA GLU A 66 -10.539 2.685 11.575 1.00 0.00 C ATOM 988 C GLU A 66 -9.371 1.708 11.412 1.00 0.00 C ATOM 989 O GLU A 66 -8.649 1.423 12.347 1.00 0.00 O ATOM 990 CB GLU A 66 -11.806 1.948 12.012 1.00 0.00 C ATOM 991 CG GLU A 66 -12.838 2.959 12.515 1.00 0.00 C ATOM 992 CD GLU A 66 -13.731 2.295 13.565 1.00 0.00 C ATOM 993 OE1 GLU A 66 -13.244 1.416 14.258 1.00 0.00 O ATOM 994 OE2 GLU A 66 -14.886 2.677 13.658 1.00 0.00 O ATOM 0 H GLU A 66 -11.827 3.077 9.924 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.234 3.433 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.215 1.380 11.177 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.570 1.232 12.799 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.335 3.825 12.945 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.443 3.322 11.684 1.00 0.00 H new ATOM 1001 N ALA A 67 -9.183 1.195 10.224 1.00 0.00 N ATOM 1002 CA ALA A 67 -8.066 0.239 9.983 1.00 0.00 C ATOM 1003 C ALA A 67 -6.752 0.995 9.795 1.00 0.00 C ATOM 1004 O ALA A 67 -5.740 0.654 10.377 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.439 -0.483 8.692 1.00 0.00 C ATOM 0 H ALA A 67 -9.759 1.399 9.407 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.927 -0.447 10.818 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.664 -1.208 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.390 -0.999 8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.530 0.242 7.883 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.756 2.017 8.985 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.495 2.786 8.766 1.00 0.00 C ATOM 1013 C VAL A 68 -5.112 3.484 10.070 1.00 0.00 C ATOM 1014 O VAL A 68 -3.950 3.645 10.385 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.776 3.828 7.665 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.444 4.281 7.067 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.642 3.241 6.542 1.00 0.00 C ATOM 0 H VAL A 68 -7.569 2.352 8.468 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.676 2.134 8.464 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.313 4.664 8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.628 5.019 6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.827 4.725 7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.926 3.422 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.820 4.003 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.127 2.393 6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.595 2.909 6.953 1.00 0.00 H new ATOM 1027 N GLN A 69 -6.088 3.885 10.840 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.789 4.556 12.134 1.00 0.00 C ATOM 1029 C GLN A 69 -4.904 3.641 12.980 1.00 0.00 C ATOM 1030 O GLN A 69 -3.961 4.077 13.610 1.00 0.00 O ATOM 1031 CB GLN A 69 -7.149 4.759 12.799 1.00 0.00 C ATOM 1032 CG GLN A 69 -6.958 5.449 14.150 1.00 0.00 C ATOM 1033 CD GLN A 69 -8.323 5.674 14.804 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -8.707 4.947 15.698 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -9.077 6.656 14.392 1.00 0.00 N ATOM 0 H GLN A 69 -7.079 3.776 10.627 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.261 5.501 12.011 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.793 5.362 12.158 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.646 3.798 12.936 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.329 4.838 14.797 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.446 6.402 14.015 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.754 7.266 13.641 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.989 6.813 14.821 1.00 0.00 H new ATOM 1044 N ALA A 70 -5.194 2.369 12.982 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.364 1.416 13.767 1.00 0.00 C ATOM 1046 C ALA A 70 -3.000 1.262 13.097 1.00 0.00 C ATOM 1047 O ALA A 70 -2.014 0.950 13.732 1.00 0.00 O ATOM 1048 CB ALA A 70 -5.132 0.096 13.730 1.00 0.00 C ATOM 0 H ALA A 70 -5.972 1.949 12.473 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.191 1.751 14.790 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.582 -0.661 14.289 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.116 0.235 14.178 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.247 -0.229 12.696 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.945 1.482 11.810 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.655 1.357 11.077 1.00 0.00 C ATOM 1056 C LEU A 71 -0.816 2.630 11.265 1.00 0.00 C ATOM 1057 O LEU A 71 0.396 2.578 11.338 1.00 0.00 O ATOM 1058 CB LEU A 71 -2.052 1.179 9.606 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.118 -0.310 9.249 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -0.766 -0.968 9.525 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -3.201 -0.994 10.087 1.00 0.00 C ATOM 0 H LEU A 71 -3.744 1.744 11.233 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.050 0.525 11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.020 1.647 9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.329 1.682 8.964 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.360 -0.414 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.818 -2.026 9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.003 -0.486 8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.518 -0.861 10.581 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.245 -2.052 9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.964 -0.887 11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.166 -0.531 9.883 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.450 3.774 11.348 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.684 5.041 11.532 1.00 0.00 C ATOM 1075 C LYS A 72 -0.202 5.159 12.978 1.00 0.00 C ATOM 1076 O LYS A 72 0.859 5.686 13.250 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.679 6.155 11.204 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.476 6.616 9.760 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.278 7.566 9.690 1.00 0.00 C ATOM 1080 CE LYS A 72 -0.576 8.689 8.695 1.00 0.00 C ATOM 1081 NZ LYS A 72 -1.446 9.639 9.444 1.00 0.00 N ATOM 0 H LYS A 72 -2.463 3.883 11.296 1.00 0.00 H new ATOM 0 HA LYS A 72 0.201 5.086 10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.699 5.797 11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.540 6.993 11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.309 5.755 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.373 7.118 9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.073 7.984 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.615 7.021 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.341 9.173 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.080 8.307 7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.244 9.928 8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.809 9.175 10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.893 10.478 9.712 1.00 0.00 H new ATOM 1095 N LYS A 73 -0.973 4.670 13.910 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.560 4.750 15.339 1.00 0.00 C ATOM 1097 C LYS A 73 -0.260 3.345 15.867 1.00 0.00 C ATOM 1098 O LYS A 73 -0.536 3.026 17.006 1.00 0.00 O ATOM 1099 CB LYS A 73 -1.759 5.359 16.069 1.00 0.00 C ATOM 1100 CG LYS A 73 -2.142 6.686 15.404 1.00 0.00 C ATOM 1101 CD LYS A 73 -2.186 7.797 16.457 1.00 0.00 C ATOM 1102 CE LYS A 73 -3.590 8.403 16.500 1.00 0.00 C ATOM 1103 NZ LYS A 73 -3.560 9.354 17.645 1.00 0.00 N ATOM 0 H LYS A 73 -1.872 4.218 13.743 1.00 0.00 H new ATOM 0 HA LYS A 73 0.341 5.347 15.482 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.603 4.670 16.042 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.514 5.523 17.118 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.420 6.936 14.627 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.113 6.593 14.918 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.921 7.396 17.435 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.453 8.568 16.219 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.829 8.914 15.567 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.348 7.634 16.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.489 9.812 17.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.337 8.837 18.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.833 10.078 17.476 1.00 0.00 H new ATOM 1117 N THR A 74 0.303 2.503 15.042 1.00 0.00 N ATOM 1118 CA THR A 74 0.622 1.117 15.487 1.00 0.00 C ATOM 1119 C THR A 74 1.793 1.138 16.473 1.00 0.00 C ATOM 1120 O THR A 74 2.763 1.846 16.285 1.00 0.00 O ATOM 1121 CB THR A 74 1.007 0.364 14.209 1.00 0.00 C ATOM 1122 OG1 THR A 74 0.310 0.913 13.099 1.00 0.00 O ATOM 1123 CG2 THR A 74 0.645 -1.114 14.359 1.00 0.00 C ATOM 0 H THR A 74 0.556 2.717 14.077 1.00 0.00 H new ATOM 0 HA THR A 74 -0.217 0.644 15.998 1.00 0.00 H new ATOM 0 HB THR A 74 2.080 0.461 14.044 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.587 1.189 13.380 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.919 -1.650 13.450 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.185 -1.537 15.206 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.427 -1.211 14.528 1.00 0.00 H new ATOM 1131 N GLY A 75 1.708 0.370 17.524 1.00 0.00 N ATOM 1132 CA GLY A 75 2.814 0.346 18.526 1.00 0.00 C ATOM 1133 C GLY A 75 4.016 -0.404 17.949 1.00 0.00 C ATOM 1134 O GLY A 75 4.001 -0.847 16.819 1.00 0.00 O ATOM 0 H GLY A 75 0.920 -0.243 17.734 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.101 1.364 18.790 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.477 -0.138 19.443 1.00 0.00 H new ATOM 1138 N LYS A 76 5.061 -0.551 18.721 1.00 0.00 N ATOM 1139 CA LYS A 76 6.265 -1.273 18.217 1.00 0.00 C ATOM 1140 C LYS A 76 5.872 -2.672 17.729 1.00 0.00 C ATOM 1141 O LYS A 76 5.765 -2.915 16.543 1.00 0.00 O ATOM 1142 CB LYS A 76 7.208 -1.361 19.419 1.00 0.00 C ATOM 1143 CG LYS A 76 8.450 -2.168 19.037 1.00 0.00 C ATOM 1144 CD LYS A 76 9.489 -2.062 20.155 1.00 0.00 C ATOM 1145 CE LYS A 76 10.876 -2.379 19.594 1.00 0.00 C ATOM 1146 NZ LYS A 76 11.365 -1.090 19.029 1.00 0.00 N ATOM 0 H LYS A 76 5.132 -0.203 19.677 1.00 0.00 H new ATOM 0 HA LYS A 76 6.733 -0.764 17.374 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.497 -0.361 19.742 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.699 -1.833 20.260 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.182 -3.212 18.872 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.867 -1.794 18.102 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.478 -1.059 20.582 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.244 -2.754 20.961 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.543 -2.747 20.374 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.825 -3.152 18.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.400 -1.122 18.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.938 -0.937 18.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.098 -0.310 19.663 1.00 0.00 H new ATOM 1160 N GLU A 77 5.645 -3.592 18.630 1.00 0.00 N ATOM 1161 CA GLU A 77 5.249 -4.965 18.203 1.00 0.00 C ATOM 1162 C GLU A 77 3.897 -4.907 17.490 1.00 0.00 C ATOM 1163 O GLU A 77 2.860 -4.798 18.115 1.00 0.00 O ATOM 1164 CB GLU A 77 5.139 -5.770 19.498 1.00 0.00 C ATOM 1165 CG GLU A 77 4.157 -5.078 20.446 1.00 0.00 C ATOM 1166 CD GLU A 77 2.959 -5.997 20.698 1.00 0.00 C ATOM 1167 OE1 GLU A 77 3.136 -6.995 21.377 1.00 0.00 O ATOM 1168 OE2 GLU A 77 1.886 -5.685 20.209 1.00 0.00 O ATOM 0 H GLU A 77 5.716 -3.452 19.638 1.00 0.00 H new ATOM 0 HA GLU A 77 5.964 -5.412 17.512 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.800 -6.783 19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.118 -5.856 19.970 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.651 -4.840 21.388 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.821 -4.135 20.015 1.00 0.00 H new ATOM 1175 N VAL A 78 3.898 -4.958 16.187 1.00 0.00 N ATOM 1176 CA VAL A 78 2.608 -4.883 15.444 1.00 0.00 C ATOM 1177 C VAL A 78 2.093 -6.280 15.079 1.00 0.00 C ATOM 1178 O VAL A 78 2.268 -6.741 13.969 1.00 0.00 O ATOM 1179 CB VAL A 78 2.934 -4.085 14.180 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.701 -4.027 13.274 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.346 -2.664 14.569 1.00 0.00 C ATOM 0 H VAL A 78 4.732 -5.048 15.606 1.00 0.00 H new ATOM 0 HA VAL A 78 1.824 -4.418 16.042 1.00 0.00 H new ATOM 0 HB VAL A 78 3.751 -4.571 13.647 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.937 -3.458 12.375 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.406 -5.039 12.996 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.882 -3.543 13.805 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.579 -2.094 13.670 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.528 -2.181 15.103 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.226 -2.703 15.212 1.00 0.00 H new ATOM 1191 N VAL A 79 1.429 -6.945 15.990 1.00 0.00 N ATOM 1192 CA VAL A 79 0.876 -8.293 15.666 1.00 0.00 C ATOM 1193 C VAL A 79 -0.424 -8.096 14.892 1.00 0.00 C ATOM 1194 O VAL A 79 -1.381 -7.563 15.412 1.00 0.00 O ATOM 1195 CB VAL A 79 0.608 -8.960 17.018 1.00 0.00 C ATOM 1196 CG1 VAL A 79 0.171 -10.408 16.794 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.884 -8.938 17.863 1.00 0.00 C ATOM 0 H VAL A 79 1.247 -6.615 16.938 1.00 0.00 H new ATOM 0 HA VAL A 79 1.547 -8.903 15.060 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.181 -8.418 17.539 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.020 -10.883 17.756 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.739 -10.425 16.194 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.960 -10.950 16.272 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.692 -9.413 18.825 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.674 -9.479 17.343 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.196 -7.906 18.024 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.464 -8.478 13.646 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.711 -8.249 12.857 1.00 0.00 C ATOM 1209 C LEU A 80 -2.342 -9.563 12.392 1.00 0.00 C ATOM 1210 O LEU A 80 -1.720 -10.362 11.716 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.283 -7.413 11.637 1.00 0.00 C ATOM 1212 CG LEU A 80 -0.321 -6.281 12.045 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -0.080 -5.362 10.846 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -0.920 -5.466 13.193 1.00 0.00 C ATOM 0 H LEU A 80 0.299 -8.932 13.144 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.462 -7.746 13.466 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.799 -8.058 10.903 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.165 -6.989 11.157 1.00 0.00 H new ATOM 0 HG LEU A 80 0.622 -6.719 12.373 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.601 -4.560 11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.359 -5.936 10.030 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.028 -4.934 10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.231 -4.669 13.472 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.867 -5.031 12.875 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.089 -6.116 14.051 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.592 -9.768 12.715 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.292 -10.999 12.255 1.00 0.00 C ATOM 1228 C GLU A 81 -4.668 -10.795 10.790 1.00 0.00 C ATOM 1229 O GLU A 81 -5.287 -9.807 10.437 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.541 -11.107 13.131 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.214 -12.461 12.896 1.00 0.00 C ATOM 1232 CD GLU A 81 -7.606 -12.241 12.300 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -8.505 -11.903 13.053 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -7.751 -12.416 11.101 1.00 0.00 O ATOM 0 H GLU A 81 -4.158 -9.134 13.279 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.689 -11.904 12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.271 -11.000 14.182 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.234 -10.299 12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.610 -13.068 12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.291 -13.009 13.835 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.276 -11.686 9.924 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.587 -11.485 8.480 1.00 0.00 C ATOM 1243 C VAL A 82 -5.309 -12.692 7.883 1.00 0.00 C ATOM 1244 O VAL A 82 -5.067 -13.823 8.240 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.211 -11.262 7.801 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.179 -12.274 8.302 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.316 -11.427 6.284 1.00 0.00 C ATOM 0 H VAL A 82 -3.759 -12.536 10.149 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.261 -10.641 8.329 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.899 -10.248 8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.224 -12.094 7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.057 -12.166 9.380 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.520 -13.284 8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.337 -11.265 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.662 -12.434 6.051 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.024 -10.699 5.887 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.162 -12.437 6.933 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.880 -13.536 6.240 1.00 0.00 C ATOM 1259 C LYS A 83 -6.297 -13.643 4.833 1.00 0.00 C ATOM 1260 O LYS A 83 -6.781 -13.032 3.898 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.347 -13.101 6.195 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.248 -14.329 6.336 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.489 -14.155 5.458 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.737 -14.544 6.254 1.00 0.00 C ATOM 1265 NZ LYS A 83 -12.489 -15.466 5.357 1.00 0.00 N ATOM 0 H LYS A 83 -6.394 -11.500 6.604 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.786 -14.504 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.552 -12.392 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.557 -12.589 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.705 -15.227 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.542 -14.460 7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.567 -13.121 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.406 -14.775 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.472 -15.033 7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.332 -13.667 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.360 -15.778 5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.733 -14.971 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.899 -16.294 5.137 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.229 -14.377 4.686 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.578 -14.489 3.350 1.00 0.00 C ATOM 1281 C TYR A 84 -5.573 -14.973 2.296 1.00 0.00 C ATOM 1282 O TYR A 84 -6.105 -16.062 2.380 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.452 -15.518 3.536 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.284 -15.259 2.589 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.358 -14.293 1.567 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.107 -16.006 2.747 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.267 -14.084 0.717 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.018 -15.794 1.895 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.094 -14.833 0.881 1.00 0.00 C ATOM 1290 OH TYR A 84 0.985 -14.628 0.042 1.00 0.00 O ATOM 0 H TYR A 84 -4.778 -14.905 5.434 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.203 -13.526 3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.098 -15.487 4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.844 -16.520 3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.259 -13.712 1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.041 -16.748 3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.329 -13.344 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.884 -16.374 2.020 1.00 0.00 H new ATOM 0 HH TYR A 84 1.572 -13.943 0.425 1.00 0.00 H new ATOM 1300 N MET A 85 -5.819 -14.177 1.293 1.00 0.00 N ATOM 1301 CA MET A 85 -6.766 -14.597 0.224 1.00 0.00 C ATOM 1302 C MET A 85 -5.980 -15.178 -0.951 1.00 0.00 C ATOM 1303 O MET A 85 -6.177 -14.808 -2.091 1.00 0.00 O ATOM 1304 CB MET A 85 -7.497 -13.320 -0.190 1.00 0.00 C ATOM 1305 CG MET A 85 -8.172 -12.698 1.033 1.00 0.00 C ATOM 1306 SD MET A 85 -9.553 -13.745 1.558 1.00 0.00 S ATOM 1307 CE MET A 85 -10.882 -12.584 1.157 1.00 0.00 C ATOM 0 H MET A 85 -5.405 -13.253 1.168 1.00 0.00 H new ATOM 0 HA MET A 85 -7.465 -15.364 0.558 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.794 -12.612 -0.630 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.241 -13.546 -0.954 1.00 0.00 H new ATOM 0 HG2 MET A 85 -7.452 -12.593 1.845 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.531 -11.697 0.794 1.00 0.00 H new ATOM 0 HE1 MET A 85 -11.844 -13.032 1.405 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.750 -11.667 1.731 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.854 -12.352 0.092 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.083 -16.084 -0.674 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.272 -16.691 -1.767 1.00 0.00 C ATOM 1319 C LYS A 86 -4.888 -18.022 -2.207 1.00 0.00 C ATOM 1320 O LYS A 86 -4.933 -18.930 -1.393 1.00 0.00 O ATOM 1321 CB LYS A 86 -2.887 -16.915 -1.157 1.00 0.00 C ATOM 1322 CG LYS A 86 -1.834 -16.893 -2.268 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.659 -15.462 -2.779 1.00 0.00 C ATOM 1324 CE LYS A 86 -0.384 -15.373 -3.620 1.00 0.00 C ATOM 1325 NZ LYS A 86 -0.394 -13.995 -4.188 1.00 0.00 N ATOM 1326 OXT LYS A 86 -5.307 -18.110 -3.350 1.00 0.00 O ATOM 0 H LYS A 86 -4.876 -16.430 0.263 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.229 -16.055 -2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.672 -16.140 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.858 -17.870 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.885 -17.274 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.139 -17.547 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.523 -15.170 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.603 -14.769 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.504 -15.543 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.378 -16.125 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.451 -13.857 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.247 -13.865 -4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.393 -13.300 -3.414 1.00 0.00 H new TER 1340 LYS A 86 ATOM 1341 N LYS B 3 -11.131 2.210 -1.000 1.00 0.00 N ATOM 1342 CA LYS B 3 -10.167 3.147 -0.353 1.00 0.00 C ATOM 1343 C LYS B 3 -8.758 2.553 -0.371 1.00 0.00 C ATOM 1344 O LYS B 3 -8.578 1.361 -0.518 1.00 0.00 O ATOM 1345 CB LYS B 3 -10.663 3.298 1.085 1.00 0.00 C ATOM 1346 CG LYS B 3 -9.912 4.444 1.766 1.00 0.00 C ATOM 1347 CD LYS B 3 -10.801 5.079 2.838 1.00 0.00 C ATOM 1348 CE LYS B 3 -10.106 6.319 3.406 1.00 0.00 C ATOM 1349 NZ LYS B 3 -11.212 7.186 3.902 1.00 0.00 N ATOM 0 HA LYS B 3 -10.116 4.105 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -11.735 3.496 1.092 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.507 2.370 1.634 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -8.992 4.072 2.217 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.625 5.193 1.028 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -11.766 5.353 2.411 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -10.998 4.362 3.635 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -9.421 6.054 4.211 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -9.518 6.827 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -10.813 8.017 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -11.796 7.497 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -11.801 6.649 4.571 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.757 3.376 -0.218 1.00 0.00 N ATOM 1364 CA GLU B 4 -6.359 2.859 -0.220 1.00 0.00 C ATOM 1365 C GLU B 4 -5.451 3.797 0.584 1.00 0.00 C ATOM 1366 O GLU B 4 -5.555 5.004 0.490 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.941 2.841 -1.691 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.824 1.813 -1.889 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.869 2.293 -2.985 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -3.739 3.495 -3.145 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -3.281 1.450 -3.642 1.00 0.00 O ATOM 0 H GLU B 4 -7.847 4.384 -0.092 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.284 1.871 0.235 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.795 2.592 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.598 3.830 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -4.279 1.669 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -5.250 0.847 -2.161 1.00 0.00 H new ATOM 1378 N SER B 5 -4.564 3.254 1.374 1.00 0.00 N ATOM 1379 CA SER B 5 -3.655 4.122 2.182 1.00 0.00 C ATOM 1380 C SER B 5 -2.193 3.735 1.941 1.00 0.00 C ATOM 1381 O SER B 5 -1.871 3.060 0.984 1.00 0.00 O ATOM 1382 CB SER B 5 -4.044 3.858 3.635 1.00 0.00 C ATOM 1383 OG SER B 5 -4.434 5.077 4.250 1.00 0.00 O ATOM 0 H SER B 5 -4.429 2.250 1.496 1.00 0.00 H new ATOM 0 HA SER B 5 -3.751 5.175 1.917 1.00 0.00 H new ATOM 0 HB2 SER B 5 -4.862 3.138 3.679 1.00 0.00 H new ATOM 0 HB3 SER B 5 -3.204 3.419 4.173 1.00 0.00 H new ATOM 0 HG SER B 5 -5.412 5.135 4.271 1.00 0.00 H new ATOM 1389 N LEU B 6 -1.306 4.159 2.803 1.00 0.00 N ATOM 1390 CA LEU B 6 0.138 3.818 2.629 1.00 0.00 C ATOM 1391 C LEU B 6 0.878 3.957 3.962 1.00 0.00 C ATOM 1392 O LEU B 6 1.844 4.687 4.071 1.00 0.00 O ATOM 1393 CB LEU B 6 0.672 4.842 1.626 1.00 0.00 C ATOM 1394 CG LEU B 6 1.622 4.163 0.644 1.00 0.00 C ATOM 1395 CD1 LEU B 6 0.808 3.458 -0.443 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.524 5.223 0.007 1.00 0.00 C ATOM 0 H LEU B 6 -1.520 4.728 3.622 1.00 0.00 H new ATOM 0 HA LEU B 6 0.277 2.793 2.285 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.156 5.300 1.086 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.191 5.643 2.153 1.00 0.00 H new ATOM 0 HG LEU B 6 2.235 3.429 1.168 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.484 2.972 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.161 2.710 0.015 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.198 4.190 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.206 4.745 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.911 5.953 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.099 5.727 0.784 1.00 0.00 H new ATOM 1408 N VAL B 7 0.438 3.267 4.978 1.00 0.00 N ATOM 1409 CA VAL B 7 1.129 3.373 6.294 1.00 0.00 C ATOM 1410 C VAL B 7 2.403 2.526 6.293 1.00 0.00 C ATOM 1411 O VAL B 7 3.255 2.770 7.132 1.00 0.00 O ATOM 1412 CB VAL B 7 0.128 2.834 7.315 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.723 2.949 8.719 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.165 3.649 7.241 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.503 1.647 5.454 1.00 0.00 O ATOM 0 H VAL B 7 -0.365 2.638 4.955 1.00 0.00 H new ATOM 0 HA VAL B 7 1.428 4.396 6.520 1.00 0.00 H new ATOM 0 HB VAL B 7 -0.089 1.789 7.096 1.00 0.00 H new ATOM 0 HG11 VAL B 7 0.010 2.565 9.449 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.645 2.369 8.772 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.939 3.995 8.938 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -1.879 3.265 7.969 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -0.949 4.695 7.461 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.589 3.569 6.240 1.00 0.00 H new TER 1425 VAL B 7