USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 857 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -122:sc= 0.383 USER MOD Single : A 9 THR OG1 : rot 13:sc= 0.389 USER MOD Single : A 11 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 20 TYR OH : rot -179:sc= -1.16 USER MOD Single : A 22 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.065) USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= -0.436 (180deg=-1.88!) USER MOD Single : A 26 SER OG : rot 55:sc= 1.18 USER MOD Single : A 29 SER OG : rot 18:sc= 0.388! USER MOD Single : A 34 HIS : no HD1:sc= -0.449 K(o=-0.45,f=-8.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -2:sc= 1.02 USER MOD Single : A 50 GLN : amide:sc= -2.52! C(o=-2.5!,f=-5.2!) USER MOD Single : A 52 ASN : amide:sc= -1.78 K(o=-1.8,f=-6.1!) USER MOD Single : A 53 SER OG : rot 102:sc= 1.31 USER MOD Single : A 54 HIS : no HD1:sc= -2.16! K(o=-2.2!,f=-1.3) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -109:sc= -0.953 (180deg=-2.35!) USER MOD Single : A 62 GLN : amide:sc= -0.0547 X(o=-0.055,f=-0.0076) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.749 X(o=-0.75,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.83 K(o=0.83,f=-4.7!) USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= -5.54! (180deg=-5.81!) USER MOD Single : A 82 GLN : amide:sc= -2.3 K(o=-2.3,f=-0.5) USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= -3.7! (180deg=-3.94!) USER MOD Single : A 87 ASN : amide:sc= -1.74 K(o=-1.7,f=0) USER MOD Single : A 89 GLN : amide:sc= -2.52! C(o=-2.5!,f=-2.5!) USER MOD Single : A 90 GLN : amide:sc= -0.922 K(o=-0.92,f=-0.3) USER MOD Single : A 100 ASN : amide:sc= -0.572 K(o=-0.57,f=-1.3!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.852! C(o=-0.85!,f=-6.9!) USER MOD Single : A 105 HIS : no HD1:sc= -2.01! C(o=-2!,f=-3.7!) USER MOD Single : A 106 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.017) USER MOD Single : A 107 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-1.7!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.111 4.749 2.037 1.00 0.00 N ATOM 2 CA MET A 1 23.146 4.535 3.511 1.00 0.00 C ATOM 3 C MET A 1 22.043 3.554 3.905 1.00 0.00 C ATOM 4 O MET A 1 20.872 3.762 3.585 1.00 0.00 O ATOM 5 CB MET A 1 22.936 5.876 4.224 1.00 0.00 C ATOM 6 CG MET A 1 23.607 5.837 5.599 1.00 0.00 C ATOM 7 SD MET A 1 25.383 6.146 5.414 1.00 0.00 S ATOM 8 CE MET A 1 25.944 5.089 6.772 1.00 0.00 C ATOM 0 H1 MET A 1 23.861 5.417 1.765 1.00 0.00 H new ATOM 0 H2 MET A 1 23.262 3.842 1.551 1.00 0.00 H new ATOM 0 H3 MET A 1 22.186 5.138 1.765 1.00 0.00 H new ATOM 0 HA MET A 1 24.112 4.123 3.803 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.354 6.686 3.627 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.871 6.078 4.334 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.163 6.587 6.254 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.443 4.867 6.068 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.031 5.130 6.840 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.508 5.438 7.708 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.631 4.062 6.587 1.00 0.00 H new ATOM 17 N ASP A 2 22.430 2.484 4.599 1.00 0.00 N ATOM 18 CA ASP A 2 21.473 1.469 5.034 1.00 0.00 C ATOM 19 C ASP A 2 20.330 2.106 5.824 1.00 0.00 C ATOM 20 O ASP A 2 20.562 2.830 6.793 1.00 0.00 O ATOM 21 CB ASP A 2 22.184 0.426 5.906 1.00 0.00 C ATOM 22 CG ASP A 2 21.340 -0.845 6.018 1.00 0.00 C ATOM 23 OD1 ASP A 2 20.151 -0.728 6.262 1.00 0.00 O ATOM 24 OD2 ASP A 2 21.900 -1.918 5.862 1.00 0.00 O ATOM 0 H ASP A 2 23.395 2.299 4.871 1.00 0.00 H new ATOM 0 HA ASP A 2 21.057 0.985 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 2 23.157 0.187 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 2 22.366 0.837 6.899 1.00 0.00 H new ATOM 29 N GLY A 3 19.099 1.827 5.398 1.00 0.00 N ATOM 30 CA GLY A 3 17.921 2.373 6.068 1.00 0.00 C ATOM 31 C GLY A 3 17.494 1.490 7.237 1.00 0.00 C ATOM 32 O GLY A 3 16.964 1.984 8.233 1.00 0.00 O ATOM 0 H GLY A 3 18.893 1.230 4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.137 3.379 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 3 17.101 2.459 5.355 1.00 0.00 H new ATOM 36 N VAL A 4 17.728 0.181 7.103 1.00 0.00 N ATOM 37 CA VAL A 4 17.367 -0.787 8.145 1.00 0.00 C ATOM 38 C VAL A 4 15.850 -0.831 8.332 1.00 0.00 C ATOM 39 O VAL A 4 15.196 -1.796 7.939 1.00 0.00 O ATOM 40 CB VAL A 4 18.046 -0.432 9.478 1.00 0.00 C ATOM 41 CG1 VAL A 4 17.862 -1.583 10.473 1.00 0.00 C ATOM 42 CG2 VAL A 4 19.542 -0.196 9.250 1.00 0.00 C ATOM 0 H VAL A 4 18.167 -0.234 6.281 1.00 0.00 H new ATOM 0 HA VAL A 4 17.714 -1.770 7.827 1.00 0.00 H new ATOM 0 HB VAL A 4 17.592 0.474 9.879 1.00 0.00 H new ATOM 0 HG11 VAL A 4 18.344 -1.329 11.417 1.00 0.00 H new ATOM 0 HG12 VAL A 4 16.798 -1.751 10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 4 18.312 -2.489 10.068 1.00 0.00 H new ATOM 0 HG21 VAL A 4 20.019 0.055 10.197 1.00 0.00 H new ATOM 0 HG22 VAL A 4 19.995 -1.100 8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 4 19.678 0.625 8.546 1.00 0.00 H new ATOM 52 N MET A 5 15.303 0.230 8.921 1.00 0.00 N ATOM 53 CA MET A 5 13.869 0.326 9.150 1.00 0.00 C ATOM 54 C MET A 5 13.209 1.072 8.008 1.00 0.00 C ATOM 55 O MET A 5 13.207 2.304 7.979 1.00 0.00 O ATOM 56 CB MET A 5 13.572 1.076 10.449 1.00 0.00 C ATOM 57 CG MET A 5 14.671 2.111 10.729 1.00 0.00 C ATOM 58 SD MET A 5 15.984 1.348 11.716 1.00 0.00 S ATOM 59 CE MET A 5 16.227 2.715 12.877 1.00 0.00 C ATOM 0 H MET A 5 15.836 1.036 9.248 1.00 0.00 H new ATOM 0 HA MET A 5 13.476 -0.688 9.218 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.605 1.573 10.377 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.507 0.371 11.278 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.079 2.487 9.791 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.253 2.966 11.260 1.00 0.00 H new ATOM 0 HE1 MET A 5 17.009 2.453 13.589 1.00 0.00 H new ATOM 0 HE2 MET A 5 16.521 3.610 12.329 1.00 0.00 H new ATOM 0 HE3 MET A 5 15.297 2.907 13.413 1.00 0.00 H new ATOM 69 N SER A 6 12.644 0.329 7.074 1.00 0.00 N ATOM 70 CA SER A 6 11.980 0.936 5.949 1.00 0.00 C ATOM 71 C SER A 6 10.549 0.427 5.841 1.00 0.00 C ATOM 72 O SER A 6 10.022 -0.199 6.760 1.00 0.00 O ATOM 73 CB SER A 6 12.749 0.640 4.657 1.00 0.00 C ATOM 74 OG SER A 6 12.333 1.547 3.643 1.00 0.00 O ATOM 0 H SER A 6 12.635 -0.691 7.077 1.00 0.00 H new ATOM 0 HA SER A 6 11.954 2.015 6.100 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.821 0.735 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.567 -0.387 4.339 1.00 0.00 H new ATOM 0 HG SER A 6 11.989 1.044 2.875 1.00 0.00 H new ATOM 80 N ALA A 7 9.941 0.724 4.707 1.00 0.00 N ATOM 81 CA ALA A 7 8.560 0.339 4.412 1.00 0.00 C ATOM 82 C ALA A 7 7.998 1.283 3.366 1.00 0.00 C ATOM 83 O ALA A 7 7.032 0.964 2.679 1.00 0.00 O ATOM 84 CB ALA A 7 7.693 0.400 5.674 1.00 0.00 C ATOM 0 H ALA A 7 10.390 1.244 3.953 1.00 0.00 H new ATOM 0 HA ALA A 7 8.552 -0.686 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.672 0.109 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.094 -0.282 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.696 1.416 6.069 1.00 0.00 H new ATOM 90 N VAL A 8 8.623 2.450 3.248 1.00 0.00 N ATOM 91 CA VAL A 8 8.196 3.438 2.275 1.00 0.00 C ATOM 92 C VAL A 8 9.389 4.252 1.798 1.00 0.00 C ATOM 93 O VAL A 8 10.477 4.174 2.373 1.00 0.00 O ATOM 94 CB VAL A 8 7.132 4.370 2.876 1.00 0.00 C ATOM 95 CG1 VAL A 8 5.994 3.545 3.484 1.00 0.00 C ATOM 96 CG2 VAL A 8 7.761 5.245 3.967 1.00 0.00 C ATOM 0 H VAL A 8 9.424 2.730 3.814 1.00 0.00 H new ATOM 0 HA VAL A 8 7.757 2.915 1.425 1.00 0.00 H new ATOM 0 HB VAL A 8 6.735 5.005 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.245 4.214 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.535 2.931 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.391 2.901 4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.001 5.903 4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.168 4.609 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.562 5.845 3.535 1.00 0.00 H new ATOM 106 N THR A 9 9.181 5.018 0.739 1.00 0.00 N ATOM 107 CA THR A 9 10.249 5.829 0.178 1.00 0.00 C ATOM 108 C THR A 9 9.677 7.079 -0.484 1.00 0.00 C ATOM 109 O THR A 9 8.870 6.990 -1.409 1.00 0.00 O ATOM 110 CB THR A 9 11.031 4.991 -0.840 1.00 0.00 C ATOM 111 OG1 THR A 9 11.933 4.137 -0.149 1.00 0.00 O ATOM 112 CG2 THR A 9 11.819 5.902 -1.787 1.00 0.00 C ATOM 0 H THR A 9 8.288 5.095 0.253 1.00 0.00 H new ATOM 0 HA THR A 9 10.920 6.148 0.975 1.00 0.00 H new ATOM 0 HB THR A 9 10.329 4.397 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.704 4.121 0.804 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.369 5.293 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.129 6.556 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.520 6.506 -1.211 1.00 0.00 H new ATOM 120 N VAL A 10 10.107 8.239 0.002 1.00 0.00 N ATOM 121 CA VAL A 10 9.646 9.512 -0.535 1.00 0.00 C ATOM 122 C VAL A 10 10.590 9.994 -1.629 1.00 0.00 C ATOM 123 O VAL A 10 11.626 10.601 -1.354 1.00 0.00 O ATOM 124 CB VAL A 10 9.565 10.561 0.582 1.00 0.00 C ATOM 125 CG1 VAL A 10 8.238 10.409 1.329 1.00 0.00 C ATOM 126 CG2 VAL A 10 10.728 10.370 1.562 1.00 0.00 C ATOM 0 H VAL A 10 10.775 8.322 0.768 1.00 0.00 H new ATOM 0 HA VAL A 10 8.653 9.370 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 10 9.626 11.557 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.180 11.154 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.411 10.554 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.177 9.411 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.664 11.118 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.675 9.373 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.673 10.483 1.031 1.00 0.00 H new ATOM 136 N ASN A 11 10.215 9.719 -2.869 1.00 0.00 N ATOM 137 CA ASN A 11 11.020 10.125 -4.016 1.00 0.00 C ATOM 138 C ASN A 11 10.727 11.578 -4.377 1.00 0.00 C ATOM 139 O ASN A 11 10.144 12.318 -3.584 1.00 0.00 O ATOM 140 CB ASN A 11 10.708 9.223 -5.214 1.00 0.00 C ATOM 141 CG ASN A 11 11.005 7.767 -4.868 1.00 0.00 C ATOM 142 OD1 ASN A 11 10.095 7.012 -4.523 1.00 0.00 O ATOM 143 ND2 ASN A 11 12.231 7.327 -4.941 1.00 0.00 N ATOM 0 H ASN A 11 9.360 9.217 -3.109 1.00 0.00 H new ATOM 0 HA ASN A 11 12.075 10.030 -3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.661 9.331 -5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.304 9.529 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.438 6.355 -4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.982 7.955 -5.227 1.00 0.00 H new ATOM 150 N ASP A 12 11.117 11.971 -5.585 1.00 0.00 N ATOM 151 CA ASP A 12 10.876 13.327 -6.061 1.00 0.00 C ATOM 152 C ASP A 12 9.682 13.304 -6.998 1.00 0.00 C ATOM 153 O ASP A 12 9.404 14.266 -7.716 1.00 0.00 O ATOM 154 CB ASP A 12 12.116 13.848 -6.800 1.00 0.00 C ATOM 155 CG ASP A 12 12.053 15.368 -6.983 1.00 0.00 C ATOM 156 OD1 ASP A 12 11.146 15.986 -6.444 1.00 0.00 O ATOM 157 OD2 ASP A 12 12.917 15.894 -7.664 1.00 0.00 O ATOM 0 H ASP A 12 11.601 11.370 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 12 10.672 13.988 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.014 13.583 -6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.192 13.364 -7.774 1.00 0.00 H new ATOM 162 N ASP A 13 8.994 12.169 -6.985 1.00 0.00 N ATOM 163 CA ASP A 13 7.833 11.952 -7.830 1.00 0.00 C ATOM 164 C ASP A 13 6.598 11.691 -6.969 1.00 0.00 C ATOM 165 O ASP A 13 5.464 11.922 -7.397 1.00 0.00 O ATOM 166 CB ASP A 13 8.121 10.752 -8.738 1.00 0.00 C ATOM 167 CG ASP A 13 6.957 10.488 -9.696 1.00 0.00 C ATOM 168 OD1 ASP A 13 6.210 11.413 -9.972 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.836 9.360 -10.146 1.00 0.00 O ATOM 0 H ASP A 13 9.227 11.376 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 13 7.636 12.836 -8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.031 10.936 -9.310 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.301 9.867 -8.128 1.00 0.00 H new ATOM 174 N GLY A 14 6.833 11.218 -5.748 1.00 0.00 N ATOM 175 CA GLY A 14 5.744 10.932 -4.821 1.00 0.00 C ATOM 176 C GLY A 14 6.236 10.091 -3.650 1.00 0.00 C ATOM 177 O GLY A 14 7.178 10.474 -2.950 1.00 0.00 O ATOM 0 H GLY A 14 7.764 11.026 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.321 11.866 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.945 10.405 -5.343 1.00 0.00 H new ATOM 181 N LEU A 15 5.593 8.948 -3.442 1.00 0.00 N ATOM 182 CA LEU A 15 5.967 8.060 -2.344 1.00 0.00 C ATOM 183 C LEU A 15 5.659 6.605 -2.684 1.00 0.00 C ATOM 184 O LEU A 15 4.726 6.313 -3.432 1.00 0.00 O ATOM 185 CB LEU A 15 5.209 8.453 -1.072 1.00 0.00 C ATOM 186 CG LEU A 15 3.762 8.822 -1.420 1.00 0.00 C ATOM 187 CD1 LEU A 15 2.804 7.951 -0.607 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.517 10.299 -1.092 1.00 0.00 C ATOM 0 H LEU A 15 4.816 8.615 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 15 7.040 8.161 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.222 7.627 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.703 9.297 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 15 3.590 8.654 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.775 8.213 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.978 6.901 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.975 8.117 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.488 10.561 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.689 10.469 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.199 10.919 -1.674 1.00 0.00 H new ATOM 200 N VAL A 16 6.446 5.699 -2.110 1.00 0.00 N ATOM 201 CA VAL A 16 6.257 4.270 -2.336 1.00 0.00 C ATOM 202 C VAL A 16 5.681 3.617 -1.083 1.00 0.00 C ATOM 203 O VAL A 16 6.043 3.981 0.036 1.00 0.00 O ATOM 204 CB VAL A 16 7.591 3.600 -2.692 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.319 2.305 -3.462 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.431 4.538 -3.564 1.00 0.00 C ATOM 0 H VAL A 16 7.219 5.929 -1.486 1.00 0.00 H new ATOM 0 HA VAL A 16 5.563 4.142 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 16 8.135 3.378 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.265 1.827 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.727 1.631 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.771 2.533 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.376 4.055 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.888 4.766 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.628 5.462 -3.020 1.00 0.00 H new ATOM 216 N LEU A 17 4.790 2.649 -1.277 1.00 0.00 N ATOM 217 CA LEU A 17 4.177 1.945 -0.154 1.00 0.00 C ATOM 218 C LEU A 17 4.633 0.488 -0.155 1.00 0.00 C ATOM 219 O LEU A 17 4.079 -0.348 -0.869 1.00 0.00 O ATOM 220 CB LEU A 17 2.645 2.021 -0.264 1.00 0.00 C ATOM 221 CG LEU A 17 2.089 3.065 0.718 1.00 0.00 C ATOM 222 CD1 LEU A 17 2.246 2.561 2.157 1.00 0.00 C ATOM 223 CD2 LEU A 17 2.839 4.395 0.551 1.00 0.00 C ATOM 0 H LEU A 17 4.477 2.335 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 17 4.485 2.415 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.360 2.282 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.210 1.044 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 17 1.032 3.223 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.850 3.305 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.698 1.626 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.302 2.393 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.439 5.129 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.899 4.243 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.712 4.759 -0.469 1.00 0.00 H new ATOM 235 N ARG A 18 5.663 0.199 0.640 1.00 0.00 N ATOM 236 CA ARG A 18 6.213 -1.151 0.720 1.00 0.00 C ATOM 237 C ARG A 18 5.782 -1.836 2.015 1.00 0.00 C ATOM 238 O ARG A 18 6.217 -1.455 3.102 1.00 0.00 O ATOM 239 CB ARG A 18 7.744 -1.083 0.644 1.00 0.00 C ATOM 240 CG ARG A 18 8.164 0.082 -0.260 1.00 0.00 C ATOM 241 CD ARG A 18 9.690 0.119 -0.389 1.00 0.00 C ATOM 242 NE ARG A 18 10.185 -1.106 -1.015 1.00 0.00 N ATOM 243 CZ ARG A 18 10.395 -1.179 -2.328 1.00 0.00 C ATOM 244 NH1 ARG A 18 9.608 -0.545 -3.156 1.00 0.00 N ATOM 245 NH2 ARG A 18 11.391 -1.887 -2.790 1.00 0.00 N ATOM 0 H ARG A 18 6.132 0.881 1.236 1.00 0.00 H new ATOM 0 HA ARG A 18 5.832 -1.737 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.162 -0.951 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.141 -2.020 0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.710 -0.029 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.803 1.023 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.989 0.983 -0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.141 0.238 0.596 1.00 0.00 H new ATOM 0 HE ARG A 18 10.374 -1.922 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.830 0.008 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.772 -0.603 -4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.006 -2.383 -2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.553 -1.944 -3.795 1.00 0.00 H new ATOM 259 N LEU A 19 4.925 -2.850 1.894 1.00 0.00 N ATOM 260 CA LEU A 19 4.450 -3.576 3.069 1.00 0.00 C ATOM 261 C LEU A 19 4.188 -5.048 2.748 1.00 0.00 C ATOM 262 O LEU A 19 4.381 -5.496 1.616 1.00 0.00 O ATOM 263 CB LEU A 19 3.179 -2.917 3.627 1.00 0.00 C ATOM 264 CG LEU A 19 2.011 -3.065 2.641 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.130 -4.253 3.047 1.00 0.00 C ATOM 266 CD2 LEU A 19 1.168 -1.786 2.664 1.00 0.00 C ATOM 0 H LEU A 19 4.550 -3.183 1.006 1.00 0.00 H new ATOM 0 HA LEU A 19 5.233 -3.533 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.916 -3.374 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.366 -1.861 3.820 1.00 0.00 H new ATOM 0 HG LEU A 19 2.407 -3.235 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.304 -4.351 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.725 -5.167 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.734 -4.087 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.337 -1.885 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.780 -1.624 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.787 -0.937 2.373 1.00 0.00 H new ATOM 278 N TYR A 20 3.758 -5.789 3.765 1.00 0.00 N ATOM 279 CA TYR A 20 3.474 -7.215 3.626 1.00 0.00 C ATOM 280 C TYR A 20 1.968 -7.457 3.678 1.00 0.00 C ATOM 281 O TYR A 20 1.325 -7.213 4.700 1.00 0.00 O ATOM 282 CB TYR A 20 4.169 -7.958 4.771 1.00 0.00 C ATOM 283 CG TYR A 20 4.298 -9.433 4.478 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.031 -9.878 3.371 1.00 0.00 C ATOM 285 CD2 TYR A 20 3.708 -10.359 5.345 1.00 0.00 C ATOM 286 CE1 TYR A 20 5.174 -11.251 3.135 1.00 0.00 C ATOM 287 CE2 TYR A 20 3.844 -11.728 5.108 1.00 0.00 C ATOM 288 CZ TYR A 20 4.579 -12.178 4.003 1.00 0.00 C ATOM 289 OH TYR A 20 4.727 -13.532 3.775 1.00 0.00 O ATOM 0 H TYR A 20 3.597 -5.422 4.703 1.00 0.00 H new ATOM 0 HA TYR A 20 3.844 -7.579 2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.158 -7.531 4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.604 -7.817 5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.485 -9.164 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.146 -10.014 6.200 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.743 -11.596 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.383 -12.440 5.776 1.00 0.00 H new ATOM 0 HH TYR A 20 4.240 -14.034 4.461 1.00 0.00 H new ATOM 299 N ILE A 21 1.414 -7.922 2.563 1.00 0.00 N ATOM 300 CA ILE A 21 -0.019 -8.182 2.471 1.00 0.00 C ATOM 301 C ILE A 21 -0.359 -9.567 3.021 1.00 0.00 C ATOM 302 O ILE A 21 0.299 -10.555 2.693 1.00 0.00 O ATOM 303 CB ILE A 21 -0.469 -8.083 1.005 1.00 0.00 C ATOM 304 CG1 ILE A 21 -0.387 -6.620 0.541 1.00 0.00 C ATOM 305 CG2 ILE A 21 -1.907 -8.590 0.859 1.00 0.00 C ATOM 306 CD1 ILE A 21 -1.642 -5.855 0.977 1.00 0.00 C ATOM 0 H ILE A 21 1.935 -8.127 1.710 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.544 -7.436 3.068 1.00 0.00 H new ATOM 0 HB ILE A 21 0.187 -8.699 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.500 -6.147 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.286 -6.580 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.215 -8.515 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.960 -9.631 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.570 -7.986 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.572 -4.820 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.523 -6.320 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.724 -5.880 2.064 1.00 0.00 H new ATOM 318 N GLN A 22 -1.404 -9.618 3.848 1.00 0.00 N ATOM 319 CA GLN A 22 -1.863 -10.872 4.444 1.00 0.00 C ATOM 320 C GLN A 22 -3.319 -11.114 4.031 1.00 0.00 C ATOM 321 O GLN A 22 -4.247 -10.695 4.724 1.00 0.00 O ATOM 322 CB GLN A 22 -1.750 -10.792 5.976 1.00 0.00 C ATOM 323 CG GLN A 22 -0.974 -11.999 6.511 1.00 0.00 C ATOM 324 CD GLN A 22 -1.688 -13.293 6.137 1.00 0.00 C ATOM 325 OE1 GLN A 22 -2.738 -13.611 6.697 1.00 0.00 O ATOM 326 NE2 GLN A 22 -1.181 -14.062 5.213 1.00 0.00 N ATOM 0 H GLN A 22 -1.950 -8.801 4.121 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.245 -11.698 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.246 -9.869 6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.745 -10.763 6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.036 -12.001 6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.879 -11.928 7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.311 -13.798 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.654 -14.928 4.954 1.00 0.00 H new ATOM 335 N PRO A 23 -3.530 -11.745 2.902 1.00 0.00 N ATOM 336 CA PRO A 23 -4.899 -12.007 2.371 1.00 0.00 C ATOM 337 C PRO A 23 -5.676 -13.041 3.181 1.00 0.00 C ATOM 338 O PRO A 23 -5.093 -13.876 3.874 1.00 0.00 O ATOM 339 CB PRO A 23 -4.677 -12.498 0.932 1.00 0.00 C ATOM 340 CG PRO A 23 -3.200 -12.496 0.680 1.00 0.00 C ATOM 341 CD PRO A 23 -2.489 -12.279 2.016 1.00 0.00 C ATOM 0 HA PRO A 23 -5.507 -11.104 2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.087 -13.499 0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.188 -11.848 0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.889 -13.440 0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.935 -11.707 -0.024 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.078 -13.211 2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.657 -11.582 1.915 1.00 0.00 H new ATOM 349 N LYS A 24 -7.004 -12.962 3.069 1.00 0.00 N ATOM 350 CA LYS A 24 -7.911 -13.877 3.769 1.00 0.00 C ATOM 351 C LYS A 24 -7.906 -13.617 5.275 1.00 0.00 C ATOM 352 O LYS A 24 -7.766 -14.546 6.072 1.00 0.00 O ATOM 353 CB LYS A 24 -7.526 -15.339 3.506 1.00 0.00 C ATOM 354 CG LYS A 24 -7.465 -15.609 2.000 1.00 0.00 C ATOM 355 CD LYS A 24 -7.009 -17.054 1.765 1.00 0.00 C ATOM 356 CE LYS A 24 -5.520 -17.185 2.102 1.00 0.00 C ATOM 357 NZ LYS A 24 -5.370 -17.693 3.495 1.00 0.00 N ATOM 0 H LYS A 24 -7.480 -12.266 2.494 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.914 -13.695 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.559 -15.555 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.253 -16.003 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.444 -15.446 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.774 -14.915 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.593 -17.735 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.183 -17.337 0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.036 -17.865 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.027 -16.218 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.717 -17.077 4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.298 -17.696 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.990 -18.661 3.473 1.00 0.00 H new ATOM 371 N ALA A 25 -8.072 -12.355 5.660 1.00 0.00 N ATOM 372 CA ALA A 25 -8.096 -11.996 7.069 1.00 0.00 C ATOM 373 C ALA A 25 -9.540 -11.902 7.553 1.00 0.00 C ATOM 374 O ALA A 25 -9.990 -12.713 8.364 1.00 0.00 O ATOM 375 CB ALA A 25 -7.385 -10.655 7.254 1.00 0.00 C ATOM 0 H ALA A 25 -8.191 -11.571 5.019 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.583 -12.759 7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.399 -10.378 8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.353 -10.741 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.896 -9.889 6.671 1.00 0.00 H new ATOM 381 N SER A 26 -10.252 -10.908 7.028 1.00 0.00 N ATOM 382 CA SER A 26 -11.657 -10.666 7.363 1.00 0.00 C ATOM 383 C SER A 26 -11.994 -9.220 7.038 1.00 0.00 C ATOM 384 O SER A 26 -13.150 -8.872 6.794 1.00 0.00 O ATOM 385 CB SER A 26 -11.939 -10.925 8.850 1.00 0.00 C ATOM 386 OG SER A 26 -12.392 -12.264 9.020 1.00 0.00 O ATOM 0 H SER A 26 -9.871 -10.243 6.355 1.00 0.00 H new ATOM 0 HA SER A 26 -12.272 -11.351 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.036 -10.758 9.437 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.691 -10.226 9.216 1.00 0.00 H new ATOM 0 HG SER A 26 -11.742 -12.882 8.625 1.00 0.00 H new ATOM 392 N ARG A 27 -10.956 -8.388 7.034 1.00 0.00 N ATOM 393 CA ARG A 27 -11.106 -6.969 6.734 1.00 0.00 C ATOM 394 C ARG A 27 -9.735 -6.323 6.589 1.00 0.00 C ATOM 395 O ARG A 27 -8.797 -6.672 7.307 1.00 0.00 O ATOM 396 CB ARG A 27 -11.886 -6.262 7.850 1.00 0.00 C ATOM 397 CG ARG A 27 -12.065 -4.779 7.501 1.00 0.00 C ATOM 398 CD ARG A 27 -12.854 -4.079 8.611 1.00 0.00 C ATOM 399 NE ARG A 27 -12.049 -3.994 9.827 1.00 0.00 N ATOM 400 CZ ARG A 27 -12.585 -3.626 10.988 1.00 0.00 C ATOM 401 NH1 ARG A 27 -13.811 -3.965 11.279 1.00 0.00 N ATOM 402 NH2 ARG A 27 -11.881 -2.932 11.838 1.00 0.00 N ATOM 0 H ARG A 27 -9.998 -8.675 7.236 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.658 -6.871 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.860 -6.734 7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.354 -6.361 8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.091 -4.304 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.590 -4.680 6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.142 -3.079 8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.775 -4.626 8.813 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.056 -4.221 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.360 -4.513 10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.221 -3.682 12.169 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.921 -2.672 11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.290 -2.649 12.728 1.00 0.00 H new ATOM 416 N ASP A 28 -9.635 -5.369 5.675 1.00 0.00 N ATOM 417 CA ASP A 28 -8.388 -4.659 5.451 1.00 0.00 C ATOM 418 C ASP A 28 -7.994 -3.929 6.726 1.00 0.00 C ATOM 419 O ASP A 28 -8.435 -2.808 6.986 1.00 0.00 O ATOM 420 CB ASP A 28 -8.539 -3.647 4.321 1.00 0.00 C ATOM 421 CG ASP A 28 -9.716 -4.001 3.410 1.00 0.00 C ATOM 422 OD1 ASP A 28 -10.842 -3.974 3.882 1.00 0.00 O ATOM 423 OD2 ASP A 28 -9.475 -4.281 2.250 1.00 0.00 O ATOM 0 H ASP A 28 -10.405 -5.070 5.076 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.619 -5.380 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.687 -2.651 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.620 -3.613 3.735 1.00 0.00 H new ATOM 428 N SER A 29 -7.192 -4.597 7.528 1.00 0.00 N ATOM 429 CA SER A 29 -6.759 -4.041 8.809 1.00 0.00 C ATOM 430 C SER A 29 -5.236 -3.993 8.942 1.00 0.00 C ATOM 431 O SER A 29 -4.550 -4.994 8.731 1.00 0.00 O ATOM 432 CB SER A 29 -7.333 -4.887 9.946 1.00 0.00 C ATOM 433 OG SER A 29 -6.661 -6.140 9.989 1.00 0.00 O ATOM 0 H SER A 29 -6.823 -5.525 7.323 1.00 0.00 H new ATOM 0 HA SER A 29 -7.127 -3.016 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.216 -4.366 10.896 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.402 -5.040 9.796 1.00 0.00 H new ATOM 0 HG SER A 29 -5.814 -6.074 9.500 1.00 0.00 H new ATOM 439 N ILE A 30 -4.730 -2.823 9.333 1.00 0.00 N ATOM 440 CA ILE A 30 -3.292 -2.633 9.545 1.00 0.00 C ATOM 441 C ILE A 30 -2.984 -2.851 11.029 1.00 0.00 C ATOM 442 O ILE A 30 -2.580 -1.936 11.749 1.00 0.00 O ATOM 443 CB ILE A 30 -2.856 -1.224 9.095 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.092 -0.339 8.874 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.066 -1.332 7.786 1.00 0.00 C ATOM 446 CD1 ILE A 30 -3.674 1.003 8.264 1.00 0.00 C ATOM 0 H ILE A 30 -5.294 -1.991 9.510 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.734 -3.353 8.947 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.230 -0.777 9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.797 -0.844 8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.605 -0.173 9.821 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.756 -0.338 7.465 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.185 -1.954 7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.695 -1.782 7.018 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.557 1.624 8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.986 1.511 8.940 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.182 0.830 7.307 1.00 0.00 H new ATOM 458 N VAL A 31 -3.227 -4.082 11.468 1.00 0.00 N ATOM 459 CA VAL A 31 -3.038 -4.484 12.861 1.00 0.00 C ATOM 460 C VAL A 31 -1.669 -5.148 13.087 1.00 0.00 C ATOM 461 O VAL A 31 -1.478 -5.863 14.071 1.00 0.00 O ATOM 462 CB VAL A 31 -4.179 -5.439 13.257 1.00 0.00 C ATOM 463 CG1 VAL A 31 -4.000 -5.929 14.698 1.00 0.00 C ATOM 464 CG2 VAL A 31 -5.518 -4.697 13.143 1.00 0.00 C ATOM 0 H VAL A 31 -3.562 -4.834 10.866 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.061 -3.594 13.490 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.163 -6.300 12.588 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.817 -6.602 14.957 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.051 -6.458 14.787 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.004 -5.075 15.376 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.331 -5.368 13.422 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.514 -3.835 13.810 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.661 -4.361 12.116 1.00 0.00 H new ATOM 474 N GLY A 32 -0.716 -4.926 12.180 1.00 0.00 N ATOM 475 CA GLY A 32 0.602 -5.539 12.322 1.00 0.00 C ATOM 476 C GLY A 32 1.679 -4.595 11.837 1.00 0.00 C ATOM 477 O GLY A 32 2.720 -5.013 11.331 1.00 0.00 O ATOM 0 H GLY A 32 -0.830 -4.337 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.779 -5.797 13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.641 -6.468 11.753 1.00 0.00 H new ATOM 481 N LEU A 33 1.412 -3.315 12.020 1.00 0.00 N ATOM 482 CA LEU A 33 2.339 -2.277 11.628 1.00 0.00 C ATOM 483 C LEU A 33 3.593 -2.352 12.484 1.00 0.00 C ATOM 484 O LEU A 33 3.517 -2.366 13.713 1.00 0.00 O ATOM 485 CB LEU A 33 1.651 -0.927 11.798 1.00 0.00 C ATOM 486 CG LEU A 33 0.483 -0.834 10.816 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.059 0.598 10.802 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.964 -1.227 9.415 1.00 0.00 C ATOM 0 H LEU A 33 0.550 -2.970 12.443 1.00 0.00 H new ATOM 0 HA LEU A 33 2.634 -2.407 10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.292 -0.814 12.821 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.359 -0.118 11.618 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.312 -1.513 11.125 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.892 0.665 10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.402 0.867 11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.731 1.283 10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.133 -1.161 8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.759 -0.551 9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.343 -2.249 9.434 1.00 0.00 H new ATOM 500 N HIS A 34 4.743 -2.428 11.825 1.00 0.00 N ATOM 501 CA HIS A 34 6.008 -2.531 12.533 1.00 0.00 C ATOM 502 C HIS A 34 6.850 -1.271 12.338 1.00 0.00 C ATOM 503 O HIS A 34 6.664 -0.529 11.374 1.00 0.00 O ATOM 504 CB HIS A 34 6.765 -3.766 12.029 1.00 0.00 C ATOM 505 CG HIS A 34 7.997 -3.995 12.866 1.00 0.00 C ATOM 506 ND1 HIS A 34 9.272 -3.992 12.323 1.00 0.00 N ATOM 507 CD2 HIS A 34 8.162 -4.238 14.208 1.00 0.00 C ATOM 508 CE1 HIS A 34 10.139 -4.228 13.323 1.00 0.00 C ATOM 509 NE2 HIS A 34 9.516 -4.384 14.493 1.00 0.00 N ATOM 0 H HIS A 34 4.823 -2.420 10.808 1.00 0.00 H new ATOM 0 HA HIS A 34 5.811 -2.633 13.600 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.118 -4.642 12.073 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.046 -3.629 10.985 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.363 -4.305 14.931 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.210 -4.285 13.195 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.941 -4.570 15.401 1.00 0.00 H new ATOM 517 N GLY A 35 7.776 -1.029 13.261 1.00 0.00 N ATOM 518 CA GLY A 35 8.636 0.144 13.167 1.00 0.00 C ATOM 519 C GLY A 35 9.582 0.006 11.979 1.00 0.00 C ATOM 520 O GLY A 35 10.022 1.000 11.400 1.00 0.00 O ATOM 0 H GLY A 35 7.948 -1.622 14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.028 1.042 13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.209 0.259 14.087 1.00 0.00 H new ATOM 524 N ASP A 36 9.886 -1.245 11.627 1.00 0.00 N ATOM 525 CA ASP A 36 10.781 -1.533 10.508 1.00 0.00 C ATOM 526 C ASP A 36 10.006 -2.122 9.331 1.00 0.00 C ATOM 527 O ASP A 36 10.525 -2.195 8.219 1.00 0.00 O ATOM 528 CB ASP A 36 11.868 -2.534 10.923 1.00 0.00 C ATOM 529 CG ASP A 36 12.589 -2.089 12.201 1.00 0.00 C ATOM 530 OD1 ASP A 36 11.967 -1.445 13.031 1.00 0.00 O ATOM 531 OD2 ASP A 36 13.757 -2.410 12.331 1.00 0.00 O ATOM 0 H ASP A 36 9.525 -2.073 12.101 1.00 0.00 H new ATOM 0 HA ASP A 36 11.242 -0.591 10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.419 -3.515 11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.592 -2.641 10.115 1.00 0.00 H new ATOM 536 N GLU A 37 8.768 -2.554 9.583 1.00 0.00 N ATOM 537 CA GLU A 37 7.946 -3.144 8.525 1.00 0.00 C ATOM 538 C GLU A 37 6.484 -2.722 8.665 1.00 0.00 C ATOM 539 O GLU A 37 6.132 -1.947 9.548 1.00 0.00 O ATOM 540 CB GLU A 37 8.035 -4.676 8.557 1.00 0.00 C ATOM 541 CG GLU A 37 9.448 -5.118 8.958 1.00 0.00 C ATOM 542 CD GLU A 37 9.647 -6.601 8.652 1.00 0.00 C ATOM 543 OE1 GLU A 37 8.737 -7.372 8.916 1.00 0.00 O ATOM 544 OE2 GLU A 37 10.710 -6.947 8.161 1.00 0.00 O ATOM 0 H GLU A 37 8.318 -2.508 10.497 1.00 0.00 H new ATOM 0 HA GLU A 37 8.331 -2.780 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.307 -5.075 9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.784 -5.082 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.188 -4.526 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.606 -4.935 10.021 1.00 0.00 H new ATOM 551 N VAL A 38 5.641 -3.241 7.782 1.00 0.00 N ATOM 552 CA VAL A 38 4.216 -2.927 7.801 1.00 0.00 C ATOM 553 C VAL A 38 3.414 -4.158 7.405 1.00 0.00 C ATOM 554 O VAL A 38 3.536 -4.644 6.279 1.00 0.00 O ATOM 555 CB VAL A 38 3.922 -1.774 6.835 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.405 -1.581 6.702 1.00 0.00 C ATOM 557 CG2 VAL A 38 4.558 -0.490 7.374 1.00 0.00 C ATOM 0 H VAL A 38 5.919 -3.884 7.041 1.00 0.00 H new ATOM 0 HA VAL A 38 3.929 -2.624 8.808 1.00 0.00 H new ATOM 0 HB VAL A 38 4.339 -2.006 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.202 -0.760 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.954 -2.496 6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.981 -1.349 7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.352 0.333 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.140 -0.261 8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.636 -0.627 7.462 1.00 0.00 H new ATOM 567 N LYS A 39 2.605 -4.671 8.326 1.00 0.00 N ATOM 568 CA LYS A 39 1.812 -5.855 8.034 1.00 0.00 C ATOM 569 C LYS A 39 0.316 -5.555 8.076 1.00 0.00 C ATOM 570 O LYS A 39 -0.229 -5.188 9.119 1.00 0.00 O ATOM 571 CB LYS A 39 2.150 -6.968 9.023 1.00 0.00 C ATOM 572 CG LYS A 39 2.338 -8.265 8.240 1.00 0.00 C ATOM 573 CD LYS A 39 2.297 -9.473 9.182 1.00 0.00 C ATOM 574 CE LYS A 39 0.959 -9.510 9.930 1.00 0.00 C ATOM 575 NZ LYS A 39 0.575 -10.927 10.182 1.00 0.00 N ATOM 0 H LYS A 39 2.483 -4.292 9.265 1.00 0.00 H new ATOM 0 HA LYS A 39 2.058 -6.180 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.057 -6.723 9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.351 -7.080 9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.556 -8.358 7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.290 -8.242 7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.430 -10.393 8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.120 -9.417 9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.042 -8.970 10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.188 -9.011 9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.332 -10.956 10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.481 -11.428 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.308 -11.388 10.758 1.00 0.00 H new ATOM 589 N VAL A 40 -0.337 -5.730 6.928 1.00 0.00 N ATOM 590 CA VAL A 40 -1.774 -5.495 6.816 1.00 0.00 C ATOM 591 C VAL A 40 -2.483 -6.773 6.385 1.00 0.00 C ATOM 592 O VAL A 40 -1.914 -7.596 5.667 1.00 0.00 O ATOM 593 CB VAL A 40 -2.049 -4.393 5.785 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.816 -4.940 4.372 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.504 -3.928 5.913 1.00 0.00 C ATOM 0 H VAL A 40 0.108 -6.034 6.062 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.150 -5.183 7.790 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.377 -3.554 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.012 -4.155 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.783 -5.274 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.487 -5.780 4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.701 -3.145 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.172 -4.770 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.674 -3.538 6.917 1.00 0.00 H new ATOM 605 N ALA A 41 -3.730 -6.928 6.815 1.00 0.00 N ATOM 606 CA ALA A 41 -4.507 -8.103 6.452 1.00 0.00 C ATOM 607 C ALA A 41 -5.655 -7.703 5.540 1.00 0.00 C ATOM 608 O ALA A 41 -6.656 -7.159 5.999 1.00 0.00 O ATOM 609 CB ALA A 41 -5.058 -8.785 7.708 1.00 0.00 C ATOM 0 H ALA A 41 -4.220 -6.260 7.410 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.857 -8.803 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.637 -9.663 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.231 -9.090 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.699 -8.088 8.249 1.00 0.00 H new ATOM 615 N ILE A 42 -5.508 -7.975 4.248 1.00 0.00 N ATOM 616 CA ILE A 42 -6.553 -7.630 3.295 1.00 0.00 C ATOM 617 C ILE A 42 -7.577 -8.759 3.239 1.00 0.00 C ATOM 618 O ILE A 42 -7.240 -9.931 3.420 1.00 0.00 O ATOM 619 CB ILE A 42 -5.935 -7.372 1.912 1.00 0.00 C ATOM 620 CG1 ILE A 42 -7.004 -6.833 0.950 1.00 0.00 C ATOM 621 CG2 ILE A 42 -5.348 -8.670 1.348 1.00 0.00 C ATOM 622 CD1 ILE A 42 -7.039 -5.304 1.029 1.00 0.00 C ATOM 0 H ILE A 42 -4.688 -8.426 3.842 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.059 -6.718 3.613 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.140 -6.634 2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.784 -7.150 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.980 -7.243 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.912 -8.477 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.576 -9.043 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.138 -9.415 1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.798 -4.922 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.280 -4.998 2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.065 -4.903 0.750 1.00 0.00 H new ATOM 634 N THR A 43 -8.832 -8.389 3.025 1.00 0.00 N ATOM 635 CA THR A 43 -9.917 -9.371 2.986 1.00 0.00 C ATOM 636 C THR A 43 -10.102 -9.959 1.580 1.00 0.00 C ATOM 637 O THR A 43 -11.134 -10.561 1.281 1.00 0.00 O ATOM 638 CB THR A 43 -11.216 -8.713 3.482 1.00 0.00 C ATOM 639 OG1 THR A 43 -12.337 -9.508 3.121 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.359 -7.314 2.877 1.00 0.00 C ATOM 0 H THR A 43 -9.127 -7.424 2.876 1.00 0.00 H new ATOM 0 HA THR A 43 -9.657 -10.201 3.643 1.00 0.00 H new ATOM 0 HB THR A 43 -11.174 -8.631 4.568 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.035 -10.281 2.599 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.281 -6.856 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.510 -6.700 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.388 -7.389 1.790 1.00 0.00 H new ATOM 648 N ALA A 44 -9.094 -9.796 0.727 1.00 0.00 N ATOM 649 CA ALA A 44 -9.169 -10.329 -0.632 1.00 0.00 C ATOM 650 C ALA A 44 -8.423 -11.659 -0.756 1.00 0.00 C ATOM 651 O ALA A 44 -7.430 -11.892 -0.061 1.00 0.00 O ATOM 652 CB ALA A 44 -8.571 -9.333 -1.630 1.00 0.00 C ATOM 0 H ALA A 44 -8.227 -9.306 0.947 1.00 0.00 H new ATOM 0 HA ALA A 44 -10.223 -10.494 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.634 -9.745 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -9.126 -8.396 -1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.527 -9.149 -1.379 1.00 0.00 H new ATOM 658 N PRO A 45 -8.882 -12.513 -1.645 1.00 0.00 N ATOM 659 CA PRO A 45 -8.246 -13.835 -1.913 1.00 0.00 C ATOM 660 C PRO A 45 -6.742 -13.710 -2.187 1.00 0.00 C ATOM 661 O PRO A 45 -6.200 -12.605 -2.237 1.00 0.00 O ATOM 662 CB PRO A 45 -8.975 -14.382 -3.149 1.00 0.00 C ATOM 663 CG PRO A 45 -10.013 -13.381 -3.546 1.00 0.00 C ATOM 664 CD PRO A 45 -10.077 -12.300 -2.472 1.00 0.00 C ATOM 0 HA PRO A 45 -8.331 -14.493 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.272 -14.548 -3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.437 -15.344 -2.926 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.765 -12.941 -4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.984 -13.865 -3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.078 -11.304 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.988 -12.386 -1.879 1.00 0.00 H new ATOM 672 N PRO A 46 -6.066 -14.821 -2.354 1.00 0.00 N ATOM 673 CA PRO A 46 -4.599 -14.853 -2.616 1.00 0.00 C ATOM 674 C PRO A 46 -4.247 -14.569 -4.077 1.00 0.00 C ATOM 675 O PRO A 46 -3.072 -14.573 -4.445 1.00 0.00 O ATOM 676 CB PRO A 46 -4.185 -16.288 -2.232 1.00 0.00 C ATOM 677 CG PRO A 46 -5.434 -16.991 -1.789 1.00 0.00 C ATOM 678 CD PRO A 46 -6.612 -16.175 -2.312 1.00 0.00 C ATOM 0 HA PRO A 46 -4.080 -14.080 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.732 -16.801 -3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.443 -16.277 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.464 -18.008 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.469 -17.067 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.934 -16.513 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.477 -16.243 -1.653 1.00 0.00 H new ATOM 686 N VAL A 47 -5.260 -14.328 -4.909 1.00 0.00 N ATOM 687 CA VAL A 47 -5.016 -14.054 -6.330 1.00 0.00 C ATOM 688 C VAL A 47 -4.774 -12.566 -6.566 1.00 0.00 C ATOM 689 O VAL A 47 -5.162 -11.729 -5.753 1.00 0.00 O ATOM 690 CB VAL A 47 -6.193 -14.528 -7.192 1.00 0.00 C ATOM 691 CG1 VAL A 47 -5.989 -16.001 -7.557 1.00 0.00 C ATOM 692 CG2 VAL A 47 -7.510 -14.369 -6.425 1.00 0.00 C ATOM 0 H VAL A 47 -6.242 -14.316 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.123 -14.607 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.238 -13.924 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.823 -16.343 -8.170 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.059 -16.112 -8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.939 -16.598 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.337 -14.709 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.474 -14.965 -5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.657 -13.320 -6.168 1.00 0.00 H new ATOM 702 N ASP A 48 -4.123 -12.252 -7.684 1.00 0.00 N ATOM 703 CA ASP A 48 -3.820 -10.864 -8.024 1.00 0.00 C ATOM 704 C ASP A 48 -5.073 -10.127 -8.476 1.00 0.00 C ATOM 705 O ASP A 48 -5.437 -9.112 -7.899 1.00 0.00 O ATOM 706 CB ASP A 48 -2.768 -10.802 -9.137 1.00 0.00 C ATOM 707 CG ASP A 48 -1.568 -11.679 -8.785 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.371 -11.941 -7.609 1.00 0.00 O ATOM 709 OD2 ASP A 48 -0.862 -12.073 -9.699 1.00 0.00 O ATOM 0 H ASP A 48 -3.797 -12.936 -8.367 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.430 -10.381 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.205 -11.134 -10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.443 -9.772 -9.282 1.00 0.00 H new ATOM 714 N GLY A 49 -5.728 -10.635 -9.513 1.00 0.00 N ATOM 715 CA GLY A 49 -6.938 -9.996 -10.025 1.00 0.00 C ATOM 716 C GLY A 49 -7.778 -9.414 -8.887 1.00 0.00 C ATOM 717 O GLY A 49 -8.241 -8.275 -8.964 1.00 0.00 O ATOM 0 H GLY A 49 -5.447 -11.479 -10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.667 -9.204 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.529 -10.723 -10.582 1.00 0.00 H new ATOM 721 N GLN A 50 -7.967 -10.209 -7.836 1.00 0.00 N ATOM 722 CA GLN A 50 -8.764 -9.779 -6.689 1.00 0.00 C ATOM 723 C GLN A 50 -7.941 -8.926 -5.718 1.00 0.00 C ATOM 724 O GLN A 50 -8.355 -7.824 -5.355 1.00 0.00 O ATOM 725 CB GLN A 50 -9.333 -11.011 -5.966 1.00 0.00 C ATOM 726 CG GLN A 50 -10.553 -11.553 -6.734 1.00 0.00 C ATOM 727 CD GLN A 50 -10.281 -11.594 -8.240 1.00 0.00 C ATOM 728 OE1 GLN A 50 -10.379 -10.572 -8.918 1.00 0.00 O ATOM 729 NE2 GLN A 50 -9.955 -12.725 -8.807 1.00 0.00 N ATOM 0 H GLN A 50 -7.581 -11.150 -7.755 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.583 -9.160 -7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.568 -11.784 -5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.621 -10.746 -4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.796 -12.554 -6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.421 -10.924 -6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.874 -13.572 -8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.782 -12.761 -9.812 1.00 0.00 H new ATOM 738 N ALA A 51 -6.780 -9.432 -5.300 1.00 0.00 N ATOM 739 CA ALA A 51 -5.922 -8.691 -4.370 1.00 0.00 C ATOM 740 C ALA A 51 -5.503 -7.356 -4.981 1.00 0.00 C ATOM 741 O ALA A 51 -5.742 -6.294 -4.406 1.00 0.00 O ATOM 742 CB ALA A 51 -4.678 -9.517 -4.027 1.00 0.00 C ATOM 0 H ALA A 51 -6.414 -10.340 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.486 -8.500 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.048 -8.957 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.981 -10.455 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.118 -9.727 -4.938 1.00 0.00 H new ATOM 748 N ASN A 52 -4.892 -7.428 -6.159 1.00 0.00 N ATOM 749 CA ASN A 52 -4.447 -6.241 -6.881 1.00 0.00 C ATOM 750 C ASN A 52 -5.545 -5.184 -6.897 1.00 0.00 C ATOM 751 O ASN A 52 -5.323 -4.046 -6.482 1.00 0.00 O ATOM 752 CB ASN A 52 -4.079 -6.625 -8.318 1.00 0.00 C ATOM 753 CG ASN A 52 -3.302 -5.497 -8.991 1.00 0.00 C ATOM 754 OD1 ASN A 52 -3.543 -4.322 -8.715 1.00 0.00 O ATOM 755 ND2 ASN A 52 -2.380 -5.788 -9.869 1.00 0.00 N ATOM 0 H ASN A 52 -4.692 -8.306 -6.638 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.573 -5.828 -6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.480 -7.536 -8.315 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.984 -6.840 -8.886 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.858 -5.041 -10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.182 -6.762 -10.096 1.00 0.00 H new ATOM 762 N SER A 53 -6.734 -5.567 -7.371 1.00 0.00 N ATOM 763 CA SER A 53 -7.851 -4.631 -7.419 1.00 0.00 C ATOM 764 C SER A 53 -8.002 -3.926 -6.076 1.00 0.00 C ATOM 765 O SER A 53 -8.038 -2.698 -6.011 1.00 0.00 O ATOM 766 CB SER A 53 -9.147 -5.364 -7.759 1.00 0.00 C ATOM 767 OG SER A 53 -9.085 -5.829 -9.100 1.00 0.00 O ATOM 0 H SER A 53 -6.942 -6.502 -7.720 1.00 0.00 H new ATOM 0 HA SER A 53 -7.647 -3.892 -8.194 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.294 -6.202 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.000 -4.697 -7.632 1.00 0.00 H new ATOM 0 HG SER A 53 -8.876 -6.786 -9.105 1.00 0.00 H new ATOM 773 N HIS A 54 -8.080 -4.721 -5.006 1.00 0.00 N ATOM 774 CA HIS A 54 -8.219 -4.174 -3.657 1.00 0.00 C ATOM 775 C HIS A 54 -7.079 -3.209 -3.351 1.00 0.00 C ATOM 776 O HIS A 54 -7.314 -2.057 -3.012 1.00 0.00 O ATOM 777 CB HIS A 54 -8.211 -5.303 -2.625 1.00 0.00 C ATOM 778 CG HIS A 54 -9.624 -5.676 -2.263 1.00 0.00 C ATOM 779 ND1 HIS A 54 -10.692 -5.443 -3.115 1.00 0.00 N ATOM 780 CD2 HIS A 54 -10.160 -6.262 -1.142 1.00 0.00 C ATOM 781 CE1 HIS A 54 -11.805 -5.883 -2.500 1.00 0.00 C ATOM 782 NE2 HIS A 54 -11.538 -6.392 -1.294 1.00 0.00 N ATOM 0 H HIS A 54 -8.049 -5.740 -5.048 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.167 -3.638 -3.604 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.688 -6.171 -3.027 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.669 -4.989 -1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.598 -6.574 -0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.795 -5.831 -2.929 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.201 -6.790 -0.628 1.00 0.00 H new ATOM 790 N LEU A 55 -5.844 -3.689 -3.477 1.00 0.00 N ATOM 791 CA LEU A 55 -4.671 -2.854 -3.217 1.00 0.00 C ATOM 792 C LEU A 55 -4.861 -1.476 -3.836 1.00 0.00 C ATOM 793 O LEU A 55 -4.864 -0.458 -3.142 1.00 0.00 O ATOM 794 CB LEU A 55 -3.431 -3.505 -3.834 1.00 0.00 C ATOM 795 CG LEU A 55 -2.625 -4.230 -2.754 1.00 0.00 C ATOM 796 CD1 LEU A 55 -3.513 -5.254 -2.034 1.00 0.00 C ATOM 797 CD2 LEU A 55 -1.439 -4.948 -3.408 1.00 0.00 C ATOM 0 H LEU A 55 -5.629 -4.646 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.544 -2.755 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.729 -4.209 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.812 -2.746 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.261 -3.504 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.931 -5.765 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.355 -4.742 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.884 -5.983 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.861 -5.466 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.808 -5.670 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.804 -4.218 -3.910 1.00 0.00 H new ATOM 809 N VAL A 56 -5.027 -1.467 -5.151 1.00 0.00 N ATOM 810 CA VAL A 56 -5.230 -0.235 -5.897 1.00 0.00 C ATOM 811 C VAL A 56 -6.461 0.510 -5.369 1.00 0.00 C ATOM 812 O VAL A 56 -6.534 1.738 -5.434 1.00 0.00 O ATOM 813 CB VAL A 56 -5.399 -0.589 -7.380 1.00 0.00 C ATOM 814 CG1 VAL A 56 -6.161 0.518 -8.115 1.00 0.00 C ATOM 815 CG2 VAL A 56 -4.017 -0.762 -8.019 1.00 0.00 C ATOM 0 H VAL A 56 -5.025 -2.309 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.370 0.423 -5.775 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.967 -1.516 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.271 0.248 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.147 0.640 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.608 1.454 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.133 -1.014 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.455 0.167 -7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.479 -1.563 -7.512 1.00 0.00 H new ATOM 825 N LYS A 57 -7.421 -0.250 -4.848 1.00 0.00 N ATOM 826 CA LYS A 57 -8.653 0.324 -4.306 1.00 0.00 C ATOM 827 C LYS A 57 -8.414 0.954 -2.930 1.00 0.00 C ATOM 828 O LYS A 57 -8.490 2.169 -2.779 1.00 0.00 O ATOM 829 CB LYS A 57 -9.708 -0.776 -4.185 1.00 0.00 C ATOM 830 CG LYS A 57 -11.110 -0.167 -4.175 1.00 0.00 C ATOM 831 CD LYS A 57 -12.132 -1.280 -4.408 1.00 0.00 C ATOM 832 CE LYS A 57 -13.549 -0.719 -4.283 1.00 0.00 C ATOM 833 NZ LYS A 57 -14.532 -1.825 -4.457 1.00 0.00 N ATOM 0 H LYS A 57 -7.371 -1.267 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.997 1.106 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.613 -1.474 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.545 -1.346 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.300 0.327 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.197 0.594 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.990 -1.715 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.983 -2.080 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.682 -0.249 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.715 0.053 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.498 -1.448 -4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.409 -2.254 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.377 -2.546 -3.724 1.00 0.00 H new ATOM 847 N PHE A 58 -8.134 0.106 -1.936 1.00 0.00 N ATOM 848 CA PHE A 58 -7.890 0.554 -0.560 1.00 0.00 C ATOM 849 C PHE A 58 -7.080 1.848 -0.528 1.00 0.00 C ATOM 850 O PHE A 58 -7.445 2.797 0.168 1.00 0.00 O ATOM 851 CB PHE A 58 -7.139 -0.551 0.200 1.00 0.00 C ATOM 852 CG PHE A 58 -7.281 -0.371 1.699 1.00 0.00 C ATOM 853 CD1 PHE A 58 -8.549 -0.380 2.297 1.00 0.00 C ATOM 854 CD2 PHE A 58 -6.136 -0.211 2.496 1.00 0.00 C ATOM 855 CE1 PHE A 58 -8.671 -0.231 3.686 1.00 0.00 C ATOM 856 CE2 PHE A 58 -6.261 -0.060 3.882 1.00 0.00 C ATOM 857 CZ PHE A 58 -7.526 -0.070 4.478 1.00 0.00 C ATOM 0 H PHE A 58 -8.070 -0.904 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.850 0.753 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.528 -1.527 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.084 -0.534 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.432 -0.502 1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.157 -0.204 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.648 -0.240 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.379 0.064 4.492 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.621 0.046 5.548 1.00 0.00 H new ATOM 867 N LEU A 59 -5.988 1.885 -1.287 1.00 0.00 N ATOM 868 CA LEU A 59 -5.150 3.079 -1.335 1.00 0.00 C ATOM 869 C LEU A 59 -5.803 4.140 -2.206 1.00 0.00 C ATOM 870 O LEU A 59 -5.706 5.331 -1.926 1.00 0.00 O ATOM 871 CB LEU A 59 -3.764 2.734 -1.884 1.00 0.00 C ATOM 872 CG LEU A 59 -2.843 2.340 -0.727 1.00 0.00 C ATOM 873 CD1 LEU A 59 -3.225 0.946 -0.227 1.00 0.00 C ATOM 874 CD2 LEU A 59 -1.388 2.331 -1.211 1.00 0.00 C ATOM 0 H LEU A 59 -5.666 1.113 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.040 3.468 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.838 1.915 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.349 3.589 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.949 3.059 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.570 0.663 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.259 0.954 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.118 0.226 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.732 2.050 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.279 1.612 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.117 3.325 -1.568 1.00 0.00 H new ATOM 886 N GLY A 60 -6.484 3.698 -3.257 1.00 0.00 N ATOM 887 CA GLY A 60 -7.167 4.620 -4.158 1.00 0.00 C ATOM 888 C GLY A 60 -8.130 5.510 -3.379 1.00 0.00 C ATOM 889 O GLY A 60 -8.302 6.685 -3.701 1.00 0.00 O ATOM 0 H GLY A 60 -6.578 2.713 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.436 5.236 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.713 4.059 -4.917 1.00 0.00 H new ATOM 893 N LYS A 61 -8.750 4.937 -2.348 1.00 0.00 N ATOM 894 CA LYS A 61 -9.692 5.680 -1.515 1.00 0.00 C ATOM 895 C LYS A 61 -8.944 6.520 -0.485 1.00 0.00 C ATOM 896 O LYS A 61 -9.185 7.721 -0.352 1.00 0.00 O ATOM 897 CB LYS A 61 -10.646 4.718 -0.781 1.00 0.00 C ATOM 898 CG LYS A 61 -10.539 3.312 -1.369 1.00 0.00 C ATOM 899 CD LYS A 61 -11.742 2.471 -0.934 1.00 0.00 C ATOM 900 CE LYS A 61 -13.007 2.965 -1.644 1.00 0.00 C ATOM 901 NZ LYS A 61 -13.837 1.798 -2.056 1.00 0.00 N ATOM 0 H LYS A 61 -8.617 3.964 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.271 6.333 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.403 4.694 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.672 5.078 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.496 3.366 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.615 2.839 -1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.568 1.421 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.871 2.537 0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.578 3.614 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.738 3.559 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.802 1.695 -3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.468 0.934 -1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.821 1.949 -1.756 1.00 0.00 H new ATOM 915 N GLN A 62 -8.050 5.866 0.253 1.00 0.00 N ATOM 916 CA GLN A 62 -7.276 6.538 1.294 1.00 0.00 C ATOM 917 C GLN A 62 -6.443 7.689 0.730 1.00 0.00 C ATOM 918 O GLN A 62 -6.426 8.783 1.294 1.00 0.00 O ATOM 919 CB GLN A 62 -6.349 5.532 1.984 1.00 0.00 C ATOM 920 CG GLN A 62 -7.167 4.621 2.904 1.00 0.00 C ATOM 921 CD GLN A 62 -7.428 5.318 4.237 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.579 5.564 4.595 1.00 0.00 O ATOM 923 NE2 GLN A 62 -6.420 5.652 4.995 1.00 0.00 N ATOM 0 H GLN A 62 -7.844 4.872 0.150 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.983 6.952 2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.825 4.935 1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.589 6.060 2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.113 4.365 2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.632 3.686 3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.467 5.447 4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.585 6.118 5.887 1.00 0.00 H new ATOM 932 N PHE A 63 -5.744 7.433 -0.372 1.00 0.00 N ATOM 933 CA PHE A 63 -4.904 8.457 -0.988 1.00 0.00 C ATOM 934 C PHE A 63 -5.711 9.325 -1.944 1.00 0.00 C ATOM 935 O PHE A 63 -5.298 10.436 -2.281 1.00 0.00 O ATOM 936 CB PHE A 63 -3.739 7.805 -1.741 1.00 0.00 C ATOM 937 CG PHE A 63 -2.494 7.897 -0.895 1.00 0.00 C ATOM 938 CD1 PHE A 63 -2.207 6.893 0.039 1.00 0.00 C ATOM 939 CD2 PHE A 63 -1.636 8.994 -1.032 1.00 0.00 C ATOM 940 CE1 PHE A 63 -1.058 6.984 0.832 1.00 0.00 C ATOM 941 CE2 PHE A 63 -0.487 9.086 -0.237 1.00 0.00 C ATOM 942 CZ PHE A 63 -0.200 8.081 0.696 1.00 0.00 C ATOM 0 H PHE A 63 -5.741 6.534 -0.854 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.511 9.091 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.969 6.762 -1.960 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.582 8.304 -2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.872 6.049 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.860 9.769 -1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.833 6.208 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.177 9.931 -0.343 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.685 8.153 1.311 1.00 0.00 H new ATOM 952 N ARG A 64 -6.864 8.818 -2.370 1.00 0.00 N ATOM 953 CA ARG A 64 -7.731 9.556 -3.279 1.00 0.00 C ATOM 954 C ARG A 64 -7.013 9.887 -4.587 1.00 0.00 C ATOM 955 O ARG A 64 -7.558 10.592 -5.436 1.00 0.00 O ATOM 956 CB ARG A 64 -8.197 10.850 -2.611 1.00 0.00 C ATOM 957 CG ARG A 64 -9.611 10.664 -2.054 1.00 0.00 C ATOM 958 CD ARG A 64 -10.052 11.949 -1.346 1.00 0.00 C ATOM 959 NE ARG A 64 -11.488 11.925 -1.080 1.00 0.00 N ATOM 960 CZ ARG A 64 -12.099 10.818 -0.662 1.00 0.00 C ATOM 961 NH1 ARG A 64 -12.460 9.907 -1.524 1.00 0.00 N ATOM 962 NH2 ARG A 64 -12.340 10.645 0.610 1.00 0.00 N ATOM 0 H ARG A 64 -7.218 7.900 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.590 8.927 -3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.512 11.123 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.184 11.668 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.303 10.425 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.632 9.826 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.505 12.060 -0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.806 12.813 -1.963 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.035 12.775 -1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.274 10.043 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.928 9.059 -1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.060 11.358 1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.808 9.797 0.930 1.00 0.00 H new ATOM 976 N VAL A 65 -5.791 9.380 -4.749 1.00 0.00 N ATOM 977 CA VAL A 65 -5.028 9.646 -5.965 1.00 0.00 C ATOM 978 C VAL A 65 -5.691 8.969 -7.162 1.00 0.00 C ATOM 979 O VAL A 65 -6.683 8.255 -7.013 1.00 0.00 O ATOM 980 CB VAL A 65 -3.576 9.160 -5.812 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.882 9.950 -4.699 1.00 0.00 C ATOM 982 CG2 VAL A 65 -3.550 7.664 -5.473 1.00 0.00 C ATOM 0 H VAL A 65 -5.315 8.792 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.013 10.723 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.051 9.319 -6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.854 9.603 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.883 11.011 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.414 9.799 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.517 7.333 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.083 7.494 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.032 7.101 -6.273 1.00 0.00 H new ATOM 992 N ALA A 66 -5.145 9.215 -8.348 1.00 0.00 N ATOM 993 CA ALA A 66 -5.701 8.643 -9.570 1.00 0.00 C ATOM 994 C ALA A 66 -5.132 7.252 -9.839 1.00 0.00 C ATOM 995 O ALA A 66 -4.104 6.867 -9.277 1.00 0.00 O ATOM 996 CB ALA A 66 -5.397 9.568 -10.751 1.00 0.00 C ATOM 0 H ALA A 66 -4.323 9.803 -8.490 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.779 8.546 -9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.812 9.141 -11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.844 10.546 -10.572 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.318 9.677 -10.860 1.00 0.00 H new ATOM 1002 N LYS A 67 -5.808 6.509 -10.715 1.00 0.00 N ATOM 1003 CA LYS A 67 -5.372 5.163 -11.075 1.00 0.00 C ATOM 1004 C LYS A 67 -4.106 5.243 -11.921 1.00 0.00 C ATOM 1005 O LYS A 67 -3.339 4.284 -12.020 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.485 4.444 -11.850 1.00 0.00 C ATOM 1007 CG LYS A 67 -6.629 5.062 -13.247 1.00 0.00 C ATOM 1008 CD LYS A 67 -8.073 4.911 -13.735 1.00 0.00 C ATOM 1009 CE LYS A 67 -8.178 5.407 -15.182 1.00 0.00 C ATOM 1010 NZ LYS A 67 -9.607 5.421 -15.602 1.00 0.00 N ATOM 0 H LYS A 67 -6.658 6.817 -11.187 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.156 4.598 -10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.254 3.382 -11.934 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.428 4.523 -11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.354 6.116 -13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.947 4.573 -13.943 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.382 3.867 -13.674 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.746 5.481 -13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.754 6.408 -15.266 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.601 4.760 -15.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.677 5.758 -16.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.997 4.459 -15.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.146 6.056 -14.979 1.00 0.00 H new ATOM 1024 N SER A 68 -3.901 6.407 -12.526 1.00 0.00 N ATOM 1025 CA SER A 68 -2.734 6.646 -13.363 1.00 0.00 C ATOM 1026 C SER A 68 -1.520 6.980 -12.497 1.00 0.00 C ATOM 1027 O SER A 68 -0.397 7.072 -12.996 1.00 0.00 O ATOM 1028 CB SER A 68 -3.029 7.807 -14.313 1.00 0.00 C ATOM 1029 OG SER A 68 -2.690 7.433 -15.642 1.00 0.00 O ATOM 0 H SER A 68 -4.533 7.204 -12.451 1.00 0.00 H new ATOM 0 HA SER A 68 -2.513 5.747 -13.938 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.084 8.076 -14.258 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.459 8.687 -14.016 1.00 0.00 H new ATOM 0 HG SER A 68 -2.881 8.177 -16.250 1.00 0.00 H new ATOM 1035 N GLN A 69 -1.764 7.173 -11.201 1.00 0.00 N ATOM 1036 CA GLN A 69 -0.697 7.513 -10.261 1.00 0.00 C ATOM 1037 C GLN A 69 -0.377 6.342 -9.330 1.00 0.00 C ATOM 1038 O GLN A 69 0.558 6.419 -8.536 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.120 8.724 -9.420 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.283 9.954 -10.319 1.00 0.00 C ATOM 1041 CD GLN A 69 -2.005 11.070 -9.563 1.00 0.00 C ATOM 1042 OE1 GLN A 69 -1.941 11.137 -8.337 1.00 0.00 O ATOM 1043 NE2 GLN A 69 -2.695 11.958 -10.227 1.00 0.00 N ATOM 0 H GLN A 69 -2.690 7.100 -10.779 1.00 0.00 H new ATOM 0 HA GLN A 69 0.197 7.747 -10.838 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.058 8.511 -8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.374 8.922 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.305 10.303 -10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.846 9.688 -11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.750 11.905 -11.244 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.179 12.705 -9.728 1.00 0.00 H new ATOM 1052 N VAL A 70 -1.156 5.265 -9.430 1.00 0.00 N ATOM 1053 CA VAL A 70 -0.943 4.091 -8.589 1.00 0.00 C ATOM 1054 C VAL A 70 -0.215 3.000 -9.373 1.00 0.00 C ATOM 1055 O VAL A 70 -0.808 2.298 -10.194 1.00 0.00 O ATOM 1056 CB VAL A 70 -2.291 3.580 -8.050 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -3.102 2.911 -9.163 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -2.036 2.572 -6.929 1.00 0.00 C ATOM 0 H VAL A 70 -1.936 5.183 -10.082 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.317 4.368 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.860 4.428 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.051 2.557 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.292 3.632 -9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.541 2.067 -9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.988 2.207 -6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.457 1.734 -7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.481 3.055 -6.125 1.00 0.00 H new ATOM 1068 N VAL A 71 1.087 2.887 -9.136 1.00 0.00 N ATOM 1069 CA VAL A 71 1.901 1.892 -9.854 1.00 0.00 C ATOM 1070 C VAL A 71 2.492 0.824 -8.923 1.00 0.00 C ATOM 1071 O VAL A 71 3.195 1.130 -7.967 1.00 0.00 O ATOM 1072 CB VAL A 71 3.043 2.590 -10.599 1.00 0.00 C ATOM 1073 CG1 VAL A 71 3.867 1.547 -11.362 1.00 0.00 C ATOM 1074 CG2 VAL A 71 2.464 3.603 -11.592 1.00 0.00 C ATOM 0 H VAL A 71 1.602 3.458 -8.466 1.00 0.00 H new ATOM 0 HA VAL A 71 1.235 1.389 -10.555 1.00 0.00 H new ATOM 0 HB VAL A 71 3.680 3.107 -9.881 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.680 2.043 -11.893 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.280 0.824 -10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.228 1.031 -12.078 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.277 4.099 -12.122 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.826 3.086 -12.309 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.876 4.346 -11.053 1.00 0.00 H new ATOM 1084 N ILE A 72 2.211 -0.438 -9.250 1.00 0.00 N ATOM 1085 CA ILE A 72 2.715 -1.587 -8.491 1.00 0.00 C ATOM 1086 C ILE A 72 4.113 -1.956 -8.975 1.00 0.00 C ATOM 1087 O ILE A 72 4.276 -2.700 -9.944 1.00 0.00 O ATOM 1088 CB ILE A 72 1.763 -2.767 -8.690 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.338 -2.312 -8.358 1.00 0.00 C ATOM 1090 CG2 ILE A 72 2.167 -3.926 -7.773 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -0.662 -3.387 -8.790 1.00 0.00 C ATOM 0 H ILE A 72 1.628 -0.694 -10.047 1.00 0.00 H new ATOM 0 HA ILE A 72 2.769 -1.335 -7.432 1.00 0.00 H new ATOM 0 HB ILE A 72 1.811 -3.108 -9.724 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.246 -2.125 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.119 -1.373 -8.866 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.484 -4.762 -7.921 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.183 -4.241 -8.011 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.122 -3.600 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.674 -3.059 -8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.577 -3.552 -9.864 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.448 -4.316 -8.262 1.00 0.00 H new ATOM 1103 N GLU A 73 5.113 -1.412 -8.301 1.00 0.00 N ATOM 1104 CA GLU A 73 6.507 -1.658 -8.660 1.00 0.00 C ATOM 1105 C GLU A 73 6.937 -3.091 -8.352 1.00 0.00 C ATOM 1106 O GLU A 73 7.967 -3.546 -8.848 1.00 0.00 O ATOM 1107 CB GLU A 73 7.411 -0.696 -7.890 1.00 0.00 C ATOM 1108 CG GLU A 73 7.203 0.728 -8.409 1.00 0.00 C ATOM 1109 CD GLU A 73 7.999 1.719 -7.562 1.00 0.00 C ATOM 1110 OE1 GLU A 73 7.954 1.605 -6.349 1.00 0.00 O ATOM 1111 OE2 GLU A 73 8.640 2.581 -8.142 1.00 0.00 O ATOM 0 H GLU A 73 4.988 -0.794 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 73 6.599 -1.500 -9.734 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.185 -0.742 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.454 -0.988 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.518 0.793 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.143 0.982 -8.380 1.00 0.00 H new ATOM 1118 N LYS A 74 6.157 -3.796 -7.533 1.00 0.00 N ATOM 1119 CA LYS A 74 6.481 -5.157 -7.166 1.00 0.00 C ATOM 1120 C LYS A 74 5.488 -5.653 -6.130 1.00 0.00 C ATOM 1121 O LYS A 74 4.769 -4.868 -5.511 1.00 0.00 O ATOM 1122 CB LYS A 74 7.900 -5.232 -6.587 1.00 0.00 C ATOM 1123 CG LYS A 74 8.790 -6.095 -7.487 1.00 0.00 C ATOM 1124 CD LYS A 74 10.208 -6.143 -6.909 1.00 0.00 C ATOM 1125 CE LYS A 74 11.011 -4.940 -7.406 1.00 0.00 C ATOM 1126 NZ LYS A 74 12.375 -4.975 -6.808 1.00 0.00 N ATOM 0 H LYS A 74 5.298 -3.439 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 74 6.429 -5.782 -8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.320 -4.230 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.869 -5.652 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.382 -7.103 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.811 -5.685 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.167 -6.139 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.701 -7.069 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.078 -4.958 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.506 -4.014 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.923 -4.158 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.301 -4.939 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.855 -5.853 -7.090 1.00 0.00 H new ATOM 1140 N GLY A 75 5.461 -6.957 -5.956 1.00 0.00 N ATOM 1141 CA GLY A 75 4.564 -7.586 -4.996 1.00 0.00 C ATOM 1142 C GLY A 75 3.254 -7.991 -5.664 1.00 0.00 C ATOM 1143 O GLY A 75 2.377 -8.570 -5.022 1.00 0.00 O ATOM 0 H GLY A 75 6.053 -7.611 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.044 -8.464 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.361 -6.898 -4.175 1.00 0.00 H new ATOM 1147 N GLU A 76 3.134 -7.675 -6.955 1.00 0.00 N ATOM 1148 CA GLU A 76 1.930 -8.001 -7.727 1.00 0.00 C ATOM 1149 C GLU A 76 1.358 -9.366 -7.336 1.00 0.00 C ATOM 1150 O GLU A 76 0.144 -9.571 -7.386 1.00 0.00 O ATOM 1151 CB GLU A 76 2.259 -8.000 -9.224 1.00 0.00 C ATOM 1152 CG GLU A 76 0.961 -8.009 -10.045 1.00 0.00 C ATOM 1153 CD GLU A 76 1.274 -8.201 -11.527 1.00 0.00 C ATOM 1154 OE1 GLU A 76 2.043 -9.098 -11.842 1.00 0.00 O ATOM 1155 OE2 GLU A 76 0.739 -7.452 -12.328 1.00 0.00 O ATOM 0 H GLU A 76 3.856 -7.193 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 76 1.179 -7.242 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.852 -7.120 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.863 -8.873 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.308 -8.810 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.423 -7.072 -9.898 1.00 0.00 H new ATOM 1162 N LEU A 77 2.234 -10.295 -6.947 1.00 0.00 N ATOM 1163 CA LEU A 77 1.791 -11.632 -6.553 1.00 0.00 C ATOM 1164 C LEU A 77 2.335 -12.005 -5.176 1.00 0.00 C ATOM 1165 O LEU A 77 1.599 -12.515 -4.329 1.00 0.00 O ATOM 1166 CB LEU A 77 2.277 -12.657 -7.585 1.00 0.00 C ATOM 1167 CG LEU A 77 1.265 -13.805 -7.708 1.00 0.00 C ATOM 1168 CD1 LEU A 77 1.798 -14.848 -8.693 1.00 0.00 C ATOM 1169 CD2 LEU A 77 1.047 -14.463 -6.342 1.00 0.00 C ATOM 0 H LEU A 77 3.242 -10.148 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 77 0.702 -11.634 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.410 -12.174 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.250 -13.050 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 77 0.316 -13.407 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.081 -15.664 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.944 -14.385 -9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.749 -15.238 -8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.328 -15.276 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.993 -14.859 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.665 -13.723 -5.639 1.00 0.00 H new ATOM 1181 N GLY A 78 3.619 -11.739 -4.951 1.00 0.00 N ATOM 1182 CA GLY A 78 4.234 -12.053 -3.665 1.00 0.00 C ATOM 1183 C GLY A 78 3.508 -11.324 -2.543 1.00 0.00 C ATOM 1184 O GLY A 78 2.989 -10.226 -2.750 1.00 0.00 O ATOM 0 H GLY A 78 4.247 -11.312 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.201 -13.128 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.285 -11.764 -3.676 1.00 0.00 H new ATOM 1188 N ARG A 79 3.465 -11.934 -1.358 1.00 0.00 N ATOM 1189 CA ARG A 79 2.788 -11.312 -0.221 1.00 0.00 C ATOM 1190 C ARG A 79 3.271 -9.878 -0.056 1.00 0.00 C ATOM 1191 O ARG A 79 2.612 -9.059 0.575 1.00 0.00 O ATOM 1192 CB ARG A 79 3.061 -12.099 1.064 1.00 0.00 C ATOM 1193 CG ARG A 79 2.022 -13.223 1.200 1.00 0.00 C ATOM 1194 CD ARG A 79 2.663 -14.450 1.859 1.00 0.00 C ATOM 1195 NE ARG A 79 1.807 -15.622 1.688 1.00 0.00 N ATOM 1196 CZ ARG A 79 2.273 -16.743 1.147 1.00 0.00 C ATOM 1197 NH1 ARG A 79 2.322 -16.869 -0.151 1.00 0.00 N ATOM 1198 NH2 ARG A 79 2.682 -17.718 1.914 1.00 0.00 N ATOM 0 H ARG A 79 3.884 -12.843 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 79 1.715 -11.315 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.067 -12.518 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.012 -11.436 1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.177 -12.879 1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.631 -13.489 0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.642 -14.639 1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.823 -14.260 2.920 1.00 0.00 H new ATOM 0 HE ARG A 79 0.834 -15.579 1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.003 -16.107 -0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.680 -17.729 -0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.644 -17.619 2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.040 -18.578 1.498 1.00 0.00 H new ATOM 1212 N HIS A 80 4.419 -9.585 -0.656 1.00 0.00 N ATOM 1213 CA HIS A 80 4.987 -8.246 -0.600 1.00 0.00 C ATOM 1214 C HIS A 80 4.129 -7.293 -1.431 1.00 0.00 C ATOM 1215 O HIS A 80 3.299 -7.735 -2.226 1.00 0.00 O ATOM 1216 CB HIS A 80 6.420 -8.268 -1.152 1.00 0.00 C ATOM 1217 CG HIS A 80 7.056 -9.602 -0.853 1.00 0.00 C ATOM 1218 ND1 HIS A 80 6.775 -10.738 -1.598 1.00 0.00 N ATOM 1219 CD2 HIS A 80 7.948 -10.000 0.111 1.00 0.00 C ATOM 1220 CE1 HIS A 80 7.483 -11.753 -1.073 1.00 0.00 C ATOM 1221 NE2 HIS A 80 8.216 -11.358 -0.029 1.00 0.00 N ATOM 0 H HIS A 80 4.973 -10.257 -1.186 1.00 0.00 H new ATOM 0 HA HIS A 80 5.008 -7.905 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.409 -8.092 -2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.006 -7.466 -0.703 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.377 -9.356 0.865 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.462 -12.765 -1.450 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.838 -11.929 0.543 1.00 0.00 H new ATOM 1229 N LYS A 81 4.327 -5.994 -1.249 1.00 0.00 N ATOM 1230 CA LYS A 81 3.562 -5.006 -1.997 1.00 0.00 C ATOM 1231 C LYS A 81 4.391 -3.741 -2.143 1.00 0.00 C ATOM 1232 O LYS A 81 4.968 -3.268 -1.168 1.00 0.00 O ATOM 1233 CB LYS A 81 2.238 -4.715 -1.266 1.00 0.00 C ATOM 1234 CG LYS A 81 1.969 -3.209 -1.205 1.00 0.00 C ATOM 1235 CD LYS A 81 0.571 -2.964 -0.628 1.00 0.00 C ATOM 1236 CE LYS A 81 0.256 -1.467 -0.670 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.222 -1.273 -0.688 1.00 0.00 N ATOM 0 H LYS A 81 5.005 -5.602 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 81 3.327 -5.388 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.417 -5.215 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.278 -5.123 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.721 -2.719 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.044 -2.774 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.172 -3.519 -1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.521 -3.328 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.689 -0.968 0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.704 -1.014 -1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.445 -0.343 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.663 -2.019 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.590 -1.321 0.283 1.00 0.00 H new ATOM 1251 N GLN A 82 4.451 -3.198 -3.357 1.00 0.00 N ATOM 1252 CA GLN A 82 5.221 -1.987 -3.592 1.00 0.00 C ATOM 1253 C GLN A 82 4.451 -1.084 -4.535 1.00 0.00 C ATOM 1254 O GLN A 82 4.692 -1.070 -5.742 1.00 0.00 O ATOM 1255 CB GLN A 82 6.599 -2.323 -4.180 1.00 0.00 C ATOM 1256 CG GLN A 82 7.121 -3.633 -3.577 1.00 0.00 C ATOM 1257 CD GLN A 82 8.636 -3.722 -3.738 1.00 0.00 C ATOM 1258 OE1 GLN A 82 9.294 -4.457 -3.001 1.00 0.00 O ATOM 1259 NE2 GLN A 82 9.232 -3.015 -4.658 1.00 0.00 N ATOM 0 H GLN A 82 3.981 -3.574 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 82 5.379 -1.474 -2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.529 -2.415 -5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.299 -1.513 -3.973 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.857 -3.686 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.646 -4.482 -4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.685 -2.407 -5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.245 -3.070 -4.768 1.00 0.00 H new ATOM 1268 N ILE A 83 3.511 -0.340 -3.971 1.00 0.00 N ATOM 1269 CA ILE A 83 2.692 0.557 -4.767 1.00 0.00 C ATOM 1270 C ILE A 83 3.287 1.958 -4.743 1.00 0.00 C ATOM 1271 O ILE A 83 3.769 2.425 -3.711 1.00 0.00 O ATOM 1272 CB ILE A 83 1.259 0.571 -4.224 1.00 0.00 C ATOM 1273 CG1 ILE A 83 0.665 -0.838 -4.352 1.00 0.00 C ATOM 1274 CG2 ILE A 83 0.409 1.557 -5.030 1.00 0.00 C ATOM 1275 CD1 ILE A 83 -0.712 -0.891 -3.686 1.00 0.00 C ATOM 0 H ILE A 83 3.299 -0.340 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 83 2.670 0.207 -5.799 1.00 0.00 H new ATOM 0 HB ILE A 83 1.267 0.878 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.580 -1.111 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.331 -1.565 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.609 1.563 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.835 2.557 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.395 1.254 -6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.125 -1.895 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.615 -0.638 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.378 -0.177 -4.170 1.00 0.00 H new ATOM 1287 N LYS A 84 3.261 2.614 -5.896 1.00 0.00 N ATOM 1288 CA LYS A 84 3.814 3.957 -6.020 1.00 0.00 C ATOM 1289 C LYS A 84 2.693 4.975 -6.176 1.00 0.00 C ATOM 1290 O LYS A 84 1.836 4.837 -7.048 1.00 0.00 O ATOM 1291 CB LYS A 84 4.752 4.023 -7.232 1.00 0.00 C ATOM 1292 CG LYS A 84 5.974 4.889 -6.900 1.00 0.00 C ATOM 1293 CD LYS A 84 5.828 6.267 -7.554 1.00 0.00 C ATOM 1294 CE LYS A 84 4.807 7.102 -6.776 1.00 0.00 C ATOM 1295 NZ LYS A 84 5.209 8.534 -6.804 1.00 0.00 N ATOM 0 H LYS A 84 2.864 2.239 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 84 4.378 4.191 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.072 3.019 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.223 4.438 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.071 4.998 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.883 4.403 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.792 6.776 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.508 6.156 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.816 6.983 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.745 6.751 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.533 9.095 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.161 8.635 -6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.214 8.874 -7.787 1.00 0.00 H new ATOM 1309 N ILE A 85 2.707 5.989 -5.318 1.00 0.00 N ATOM 1310 CA ILE A 85 1.687 7.031 -5.349 1.00 0.00 C ATOM 1311 C ILE A 85 2.251 8.334 -5.929 1.00 0.00 C ATOM 1312 O ILE A 85 2.897 9.111 -5.219 1.00 0.00 O ATOM 1313 CB ILE A 85 1.166 7.280 -3.921 1.00 0.00 C ATOM 1314 CG1 ILE A 85 0.065 6.266 -3.575 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.584 8.694 -3.814 1.00 0.00 C ATOM 1316 CD1 ILE A 85 0.548 4.840 -3.851 1.00 0.00 C ATOM 0 H ILE A 85 3.413 6.112 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 85 0.869 6.698 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 85 1.999 7.169 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.214 6.366 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.828 6.475 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.218 8.861 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.359 9.425 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.239 8.803 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.243 4.133 -3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.804 4.740 -4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.428 4.630 -3.243 1.00 0.00 H new ATOM 1328 N ILE A 86 1.991 8.578 -7.215 1.00 0.00 N ATOM 1329 CA ILE A 86 2.462 9.805 -7.863 1.00 0.00 C ATOM 1330 C ILE A 86 1.520 10.951 -7.516 1.00 0.00 C ATOM 1331 O ILE A 86 0.337 10.723 -7.274 1.00 0.00 O ATOM 1332 CB ILE A 86 2.497 9.634 -9.388 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.577 8.616 -9.769 1.00 0.00 C ATOM 1334 CG2 ILE A 86 2.812 10.982 -10.053 1.00 0.00 C ATOM 1335 CD1 ILE A 86 3.468 8.287 -11.260 1.00 0.00 C ATOM 0 H ILE A 86 1.463 7.951 -7.823 1.00 0.00 H new ATOM 0 HA ILE A 86 3.470 10.021 -7.507 1.00 0.00 H new ATOM 0 HB ILE A 86 1.525 9.278 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.565 9.018 -9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.461 7.709 -9.176 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.836 10.857 -11.136 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.042 11.707 -9.789 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.782 11.340 -9.708 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.237 7.563 -11.530 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.484 7.867 -11.469 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.605 9.197 -11.844 1.00 0.00 H new ATOM 1347 N ASN A 87 2.047 12.179 -7.502 1.00 0.00 N ATOM 1348 CA ASN A 87 1.230 13.353 -7.192 1.00 0.00 C ATOM 1349 C ASN A 87 0.218 13.035 -6.090 1.00 0.00 C ATOM 1350 O ASN A 87 -0.927 12.678 -6.370 1.00 0.00 O ATOM 1351 CB ASN A 87 0.492 13.815 -8.453 1.00 0.00 C ATOM 1352 CG ASN A 87 1.424 14.637 -9.338 1.00 0.00 C ATOM 1353 OD1 ASN A 87 1.031 15.683 -9.854 1.00 0.00 O ATOM 1354 ND2 ASN A 87 2.645 14.222 -9.549 1.00 0.00 N ATOM 0 H ASN A 87 3.026 12.384 -7.700 1.00 0.00 H new ATOM 0 HA ASN A 87 1.887 14.148 -6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.124 12.950 -9.005 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.378 14.411 -8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.273 14.765 -10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.970 13.355 -9.121 1.00 0.00 H new ATOM 1361 N PRO A 88 0.618 13.146 -4.850 1.00 0.00 N ATOM 1362 CA PRO A 88 -0.268 12.845 -3.699 1.00 0.00 C ATOM 1363 C PRO A 88 -1.342 13.907 -3.501 1.00 0.00 C ATOM 1364 O PRO A 88 -1.058 15.106 -3.512 1.00 0.00 O ATOM 1365 CB PRO A 88 0.668 12.783 -2.484 1.00 0.00 C ATOM 1366 CG PRO A 88 2.057 13.041 -2.985 1.00 0.00 C ATOM 1367 CD PRO A 88 1.949 13.572 -4.413 1.00 0.00 C ATOM 0 HA PRO A 88 -0.812 11.914 -3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.383 13.526 -1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.608 11.808 -2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.565 13.764 -2.346 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.647 12.125 -2.962 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.051 14.657 -4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.730 13.160 -5.052 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.573 13.446 -3.313 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.704 14.341 -3.100 1.00 0.00 C ATOM 1377 C GLN A 89 -4.148 14.259 -1.644 1.00 0.00 C ATOM 1378 O GLN A 89 -4.642 15.233 -1.075 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.864 13.936 -4.022 1.00 0.00 C ATOM 1380 CG GLN A 89 -5.760 15.146 -4.309 1.00 0.00 C ATOM 1381 CD GLN A 89 -6.444 15.617 -3.029 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -6.333 16.785 -2.658 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -7.144 14.771 -2.323 1.00 0.00 N ATOM 0 H GLN A 89 -2.814 12.455 -3.304 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.407 15.364 -3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.472 13.535 -4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.449 13.144 -3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.164 15.956 -4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.511 14.882 -5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.236 13.803 -2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.599 15.078 -1.463 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.950 13.089 -1.047 1.00 0.00 N ATOM 1393 CA GLN A 90 -4.317 12.874 0.344 1.00 0.00 C ATOM 1394 C GLN A 90 -3.348 11.892 0.997 1.00 0.00 C ATOM 1395 O GLN A 90 -3.207 10.753 0.550 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.749 12.337 0.429 1.00 0.00 C ATOM 1397 CG GLN A 90 -6.118 12.069 1.890 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.605 11.741 1.999 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -8.310 12.323 2.821 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -8.124 10.840 1.210 1.00 0.00 N ATOM 0 H GLN A 90 -3.538 12.277 -1.506 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.263 13.824 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.443 13.057 -0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.838 11.419 -0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.525 11.241 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.884 12.942 2.499 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.536 10.359 0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.117 10.617 1.274 1.00 0.00 H new ATOM 1409 N ILE A 91 -2.687 12.346 2.055 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.730 11.509 2.773 1.00 0.00 C ATOM 1411 C ILE A 91 -2.239 11.203 4.180 1.00 0.00 C ATOM 1412 O ILE A 91 -2.356 12.099 5.017 1.00 0.00 O ATOM 1413 CB ILE A 91 -0.365 12.210 2.860 1.00 0.00 C ATOM 1414 CG1 ILE A 91 0.622 11.315 3.627 1.00 0.00 C ATOM 1415 CG2 ILE A 91 -0.506 13.553 3.589 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.023 11.462 3.030 1.00 0.00 C ATOM 0 H ILE A 91 -2.795 13.286 2.435 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.617 10.574 2.225 1.00 0.00 H new ATOM 0 HB ILE A 91 0.007 12.389 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.635 11.591 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.301 10.275 3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.467 14.041 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.201 14.192 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.884 13.382 4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.720 10.826 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.005 11.164 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.344 12.501 3.106 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.534 9.958 4.457 1.00 0.00 N ATOM 1429 CA PRO A 92 -3.025 9.545 5.797 1.00 0.00 C ATOM 1430 C PRO A 92 -1.945 9.737 6.861 1.00 0.00 C ATOM 1431 O PRO A 92 -0.804 10.069 6.538 1.00 0.00 O ATOM 1432 CB PRO A 92 -3.400 8.063 5.651 1.00 0.00 C ATOM 1433 CG PRO A 92 -3.127 7.663 4.232 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.429 8.826 3.526 1.00 0.00 C ATOM 0 HA PRO A 92 -3.875 10.147 6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.818 7.451 6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.450 7.908 5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.500 6.772 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.058 7.414 3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.387 8.588 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.908 9.053 2.573 1.00 0.00 H new ATOM 1442 N PRO A 93 -2.276 9.530 8.110 1.00 0.00 N ATOM 1443 CA PRO A 93 -1.308 9.685 9.228 1.00 0.00 C ATOM 1444 C PRO A 93 -0.304 8.534 9.266 1.00 0.00 C ATOM 1445 O PRO A 93 0.763 8.647 9.871 1.00 0.00 O ATOM 1446 CB PRO A 93 -2.178 9.697 10.495 1.00 0.00 C ATOM 1447 CG PRO A 93 -3.605 9.556 10.053 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.598 9.123 8.589 1.00 0.00 C ATOM 0 HA PRO A 93 -0.711 10.591 9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.899 8.881 11.161 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.037 10.624 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.124 8.820 10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.136 10.500 10.170 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.746 8.048 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.395 9.608 8.025 1.00 0.00 H new ATOM 1456 N GLU A 94 -0.663 7.431 8.613 1.00 0.00 N ATOM 1457 CA GLU A 94 0.192 6.248 8.560 1.00 0.00 C ATOM 1458 C GLU A 94 1.596 6.601 8.074 1.00 0.00 C ATOM 1459 O GLU A 94 2.578 6.423 8.798 1.00 0.00 O ATOM 1460 CB GLU A 94 -0.423 5.219 7.607 1.00 0.00 C ATOM 1461 CG GLU A 94 0.172 3.830 7.870 1.00 0.00 C ATOM 1462 CD GLU A 94 1.569 3.730 7.263 1.00 0.00 C ATOM 1463 OE1 GLU A 94 1.659 3.626 6.051 1.00 0.00 O ATOM 1464 OE2 GLU A 94 2.527 3.760 8.017 1.00 0.00 O ATOM 0 H GLU A 94 -1.545 7.332 8.111 1.00 0.00 H new ATOM 0 HA GLU A 94 0.267 5.837 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.504 5.190 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.237 5.513 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.220 3.644 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.474 3.063 7.442 1.00 0.00 H new ATOM 1471 N VAL A 95 1.680 7.091 6.841 1.00 0.00 N ATOM 1472 CA VAL A 95 2.964 7.455 6.257 1.00 0.00 C ATOM 1473 C VAL A 95 3.474 8.743 6.885 1.00 0.00 C ATOM 1474 O VAL A 95 4.679 9.005 6.906 1.00 0.00 O ATOM 1475 CB VAL A 95 2.819 7.636 4.740 1.00 0.00 C ATOM 1476 CG1 VAL A 95 4.201 7.588 4.082 1.00 0.00 C ATOM 1477 CG2 VAL A 95 1.949 6.512 4.163 1.00 0.00 C ATOM 0 H VAL A 95 0.878 7.244 6.230 1.00 0.00 H new ATOM 0 HA VAL A 95 3.680 6.656 6.452 1.00 0.00 H new ATOM 0 HB VAL A 95 2.350 8.599 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.096 7.717 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.823 8.388 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.669 6.625 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.849 6.645 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.416 5.549 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.962 6.542 4.625 1.00 0.00 H new ATOM 1487 N ALA A 96 2.547 9.542 7.400 1.00 0.00 N ATOM 1488 CA ALA A 96 2.906 10.803 8.033 1.00 0.00 C ATOM 1489 C ALA A 96 3.618 10.556 9.360 1.00 0.00 C ATOM 1490 O ALA A 96 4.430 11.365 9.798 1.00 0.00 O ATOM 1491 CB ALA A 96 1.650 11.647 8.269 1.00 0.00 C ATOM 0 H ALA A 96 1.547 9.340 7.392 1.00 0.00 H new ATOM 0 HA ALA A 96 3.583 11.341 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.928 12.588 8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.164 11.851 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.963 11.103 8.917 1.00 0.00 H new ATOM 1497 N ALA A 97 3.300 9.432 9.996 1.00 0.00 N ATOM 1498 CA ALA A 97 3.904 9.081 11.278 1.00 0.00 C ATOM 1499 C ALA A 97 5.433 9.110 11.206 1.00 0.00 C ATOM 1500 O ALA A 97 6.103 9.244 12.230 1.00 0.00 O ATOM 1501 CB ALA A 97 3.444 7.688 11.704 1.00 0.00 C ATOM 0 H ALA A 97 2.628 8.749 9.645 1.00 0.00 H new ATOM 0 HA ALA A 97 3.582 9.821 12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.898 7.432 12.661 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.359 7.678 11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.747 6.959 10.952 1.00 0.00 H new ATOM 1507 N LEU A 98 5.975 8.979 9.997 1.00 0.00 N ATOM 1508 CA LEU A 98 7.426 8.987 9.814 1.00 0.00 C ATOM 1509 C LEU A 98 7.882 10.287 9.152 1.00 0.00 C ATOM 1510 O LEU A 98 8.903 10.861 9.535 1.00 0.00 O ATOM 1511 CB LEU A 98 7.854 7.799 8.945 1.00 0.00 C ATOM 1512 CG LEU A 98 7.329 6.489 9.547 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.210 5.432 8.445 1.00 0.00 C ATOM 1514 CD2 LEU A 98 8.298 5.992 10.626 1.00 0.00 C ATOM 0 H LEU A 98 5.438 8.867 9.137 1.00 0.00 H new ATOM 0 HA LEU A 98 7.892 8.908 10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.470 7.922 7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.941 7.765 8.872 1.00 0.00 H new ATOM 0 HG LEU A 98 6.350 6.664 9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.837 4.501 8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.519 5.782 7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.189 5.260 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.922 5.062 11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.278 5.818 10.183 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.383 6.742 11.412 1.00 0.00 H new ATOM 1526 N ILE A 99 7.124 10.742 8.155 1.00 0.00 N ATOM 1527 CA ILE A 99 7.466 11.971 7.439 1.00 0.00 C ATOM 1528 C ILE A 99 7.117 13.203 8.278 1.00 0.00 C ATOM 1529 O ILE A 99 7.556 14.314 7.974 1.00 0.00 O ATOM 1530 CB ILE A 99 6.717 12.021 6.100 1.00 0.00 C ATOM 1531 CG1 ILE A 99 7.086 10.790 5.262 1.00 0.00 C ATOM 1532 CG2 ILE A 99 7.106 13.290 5.330 1.00 0.00 C ATOM 1533 CD1 ILE A 99 6.169 10.711 4.039 1.00 0.00 C ATOM 0 H ILE A 99 6.275 10.282 7.826 1.00 0.00 H new ATOM 0 HA ILE A 99 8.540 11.974 7.252 1.00 0.00 H new ATOM 0 HB ILE A 99 5.644 12.030 6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.127 10.851 4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.988 9.886 5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.570 13.318 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.845 14.168 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.179 13.286 5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.431 9.836 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.132 10.630 4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.290 11.610 3.435 1.00 0.00 H new ATOM 1545 N ASN A 100 6.337 12.995 9.335 1.00 0.00 N ATOM 1546 CA ASN A 100 5.941 14.090 10.220 1.00 0.00 C ATOM 1547 C ASN A 100 6.732 14.023 11.522 1.00 0.00 C ATOM 1548 O ASN A 100 7.059 15.054 12.112 1.00 0.00 O ATOM 1549 CB ASN A 100 4.438 14.005 10.522 1.00 0.00 C ATOM 1550 CG ASN A 100 3.932 15.312 11.135 1.00 0.00 C ATOM 1551 OD1 ASN A 100 4.720 16.120 11.627 1.00 0.00 O ATOM 1552 ND2 ASN A 100 2.651 15.565 11.135 1.00 0.00 N ATOM 0 H ASN A 100 5.967 12.082 9.600 1.00 0.00 H new ATOM 0 HA ASN A 100 6.152 15.037 9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.890 13.792 9.604 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.246 13.179 11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.303 16.433 11.543 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.999 14.895 10.727 1.00 0.00 H new ATOM 1559 N LEU A 101 7.040 12.802 11.961 1.00 0.00 N ATOM 1560 CA LEU A 101 7.798 12.606 13.194 1.00 0.00 C ATOM 1561 C LEU A 101 7.205 13.455 14.317 1.00 0.00 C ATOM 1562 O LEU A 101 7.785 14.465 14.723 1.00 0.00 O ATOM 1563 CB LEU A 101 9.267 12.983 12.968 1.00 0.00 C ATOM 1564 CG LEU A 101 10.110 12.530 14.167 1.00 0.00 C ATOM 1565 CD1 LEU A 101 10.749 11.170 13.868 1.00 0.00 C ATOM 1566 CD2 LEU A 101 11.207 13.565 14.438 1.00 0.00 C ATOM 0 H LEU A 101 6.778 11.940 11.484 1.00 0.00 H new ATOM 0 HA LEU A 101 7.741 11.556 13.482 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.636 12.515 12.055 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.359 14.061 12.834 1.00 0.00 H new ATOM 0 HG LEU A 101 9.470 12.439 15.045 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.347 10.853 14.723 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.967 10.434 13.679 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.388 11.254 12.989 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.807 13.245 15.290 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.845 13.658 13.559 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.750 14.530 14.658 1.00 0.00 H new ATOM 1578 N GLU A 102 6.039 13.042 14.802 1.00 0.00 N ATOM 1579 CA GLU A 102 5.356 13.770 15.867 1.00 0.00 C ATOM 1580 C GLU A 102 5.795 13.276 17.241 1.00 0.00 C ATOM 1581 O GLU A 102 5.484 13.904 18.253 1.00 0.00 O ATOM 1582 CB GLU A 102 3.841 13.599 15.720 1.00 0.00 C ATOM 1583 CG GLU A 102 3.318 14.546 14.636 1.00 0.00 C ATOM 1584 CD GLU A 102 3.020 15.918 15.236 1.00 0.00 C ATOM 1585 OE1 GLU A 102 3.940 16.712 15.343 1.00 0.00 O ATOM 1586 OE2 GLU A 102 1.873 16.156 15.581 1.00 0.00 O ATOM 0 H GLU A 102 5.548 12.210 14.476 1.00 0.00 H new ATOM 0 HA GLU A 102 5.619 14.824 15.782 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.605 12.567 15.460 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.348 13.809 16.669 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.056 14.642 13.839 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.415 14.133 14.187 1.00 0.00 H new ATOM 1593 N HIS A 103 6.514 12.152 17.272 1.00 0.00 N ATOM 1594 CA HIS A 103 6.991 11.585 18.534 1.00 0.00 C ATOM 1595 C HIS A 103 7.816 12.620 19.300 1.00 0.00 C ATOM 1596 O HIS A 103 9.047 12.616 19.237 1.00 0.00 O ATOM 1597 CB HIS A 103 7.847 10.343 18.254 1.00 0.00 C ATOM 1598 CG HIS A 103 6.977 9.115 18.261 1.00 0.00 C ATOM 1599 ND1 HIS A 103 6.226 8.733 17.160 1.00 0.00 N ATOM 1600 CD2 HIS A 103 6.732 8.171 19.227 1.00 0.00 C ATOM 1601 CE1 HIS A 103 5.573 7.602 17.488 1.00 0.00 C ATOM 1602 NE2 HIS A 103 5.845 7.217 18.737 1.00 0.00 N ATOM 0 H HIS A 103 6.777 11.620 16.443 1.00 0.00 H new ATOM 0 HA HIS A 103 6.131 11.301 19.140 1.00 0.00 H new ATOM 0 HB2 HIS A 103 8.345 10.442 17.289 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.629 10.251 19.008 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.162 8.169 20.218 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.910 7.071 16.822 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.481 6.400 19.227 1.00 0.00 H new ATOM 1610 N HIS A 104 7.124 13.515 20.008 1.00 0.00 N ATOM 1611 CA HIS A 104 7.787 14.573 20.770 1.00 0.00 C ATOM 1612 C HIS A 104 8.887 15.219 19.928 1.00 0.00 C ATOM 1613 O HIS A 104 8.697 15.461 18.736 1.00 0.00 O ATOM 1614 CB HIS A 104 8.371 14.007 22.071 1.00 0.00 C ATOM 1615 CG HIS A 104 8.448 15.096 23.113 1.00 0.00 C ATOM 1616 ND1 HIS A 104 9.170 16.266 22.918 1.00 0.00 N ATOM 1617 CD2 HIS A 104 7.906 15.202 24.371 1.00 0.00 C ATOM 1618 CE1 HIS A 104 9.044 17.013 24.028 1.00 0.00 C ATOM 1619 NE2 HIS A 104 8.284 16.412 24.945 1.00 0.00 N ATOM 0 H HIS A 104 6.106 13.528 20.069 1.00 0.00 H new ATOM 0 HA HIS A 104 7.051 15.335 21.025 1.00 0.00 H new ATOM 0 HB2 HIS A 104 7.750 13.188 22.433 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.364 13.597 21.886 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.281 14.458 24.843 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.502 17.982 24.161 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.034 16.764 25.869 1.00 0.00 H new ATOM 1627 N HIS A 105 10.032 15.487 20.553 1.00 0.00 N ATOM 1628 CA HIS A 105 11.165 16.102 19.867 1.00 0.00 C ATOM 1629 C HIS A 105 10.812 17.519 19.411 1.00 0.00 C ATOM 1630 O HIS A 105 11.345 18.493 19.946 1.00 0.00 O ATOM 1631 CB HIS A 105 11.599 15.239 18.672 1.00 0.00 C ATOM 1632 CG HIS A 105 11.722 13.802 19.111 1.00 0.00 C ATOM 1633 ND1 HIS A 105 11.592 13.420 20.440 1.00 0.00 N ATOM 1634 CD2 HIS A 105 11.945 12.642 18.410 1.00 0.00 C ATOM 1635 CE1 HIS A 105 11.733 12.084 20.494 1.00 0.00 C ATOM 1636 NE2 HIS A 105 11.952 11.560 19.284 1.00 0.00 N ATOM 0 H HIS A 105 10.199 15.286 21.539 1.00 0.00 H new ATOM 0 HA HIS A 105 11.999 16.167 20.565 1.00 0.00 H new ATOM 0 HB2 HIS A 105 10.871 15.323 17.865 1.00 0.00 H new ATOM 0 HB3 HIS A 105 12.552 15.594 18.280 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.093 12.580 17.342 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.676 11.505 21.404 1.00 0.00 H new ATOM 0 HE2 HIS A 105 12.094 10.577 19.051 1.00 0.00 H new ATOM 1644 N HIS A 106 9.907 17.626 18.436 1.00 0.00 N ATOM 1645 CA HIS A 106 9.481 18.931 17.923 1.00 0.00 C ATOM 1646 C HIS A 106 10.659 19.901 17.861 1.00 0.00 C ATOM 1647 O HIS A 106 10.675 20.923 18.553 1.00 0.00 O ATOM 1648 CB HIS A 106 8.374 19.511 18.815 1.00 0.00 C ATOM 1649 CG HIS A 106 7.153 18.629 18.755 1.00 0.00 C ATOM 1650 ND1 HIS A 106 6.068 18.813 19.598 1.00 0.00 N ATOM 1651 CD2 HIS A 106 6.830 17.554 17.962 1.00 0.00 C ATOM 1652 CE1 HIS A 106 5.156 17.871 19.298 1.00 0.00 C ATOM 1653 NE2 HIS A 106 5.568 17.078 18.307 1.00 0.00 N ATOM 0 H HIS A 106 9.456 16.829 17.987 1.00 0.00 H new ATOM 0 HA HIS A 106 9.094 18.792 16.913 1.00 0.00 H new ATOM 0 HB2 HIS A 106 8.727 19.589 19.843 1.00 0.00 H new ATOM 0 HB3 HIS A 106 8.122 20.519 18.487 1.00 0.00 H new ATOM 0 HD2 HIS A 106 7.460 17.141 17.188 1.00 0.00 H new ATOM 0 HE1 HIS A 106 4.205 17.769 19.799 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.067 16.293 17.892 1.00 0.00 H new ATOM 1661 N HIS A 107 11.646 19.566 17.033 1.00 0.00 N ATOM 1662 CA HIS A 107 12.835 20.401 16.878 1.00 0.00 C ATOM 1663 C HIS A 107 12.444 21.861 16.654 1.00 0.00 C ATOM 1664 O HIS A 107 12.953 22.758 17.326 1.00 0.00 O ATOM 1665 CB HIS A 107 13.672 19.902 15.693 1.00 0.00 C ATOM 1666 CG HIS A 107 12.838 19.908 14.438 1.00 0.00 C ATOM 1667 ND1 HIS A 107 13.054 20.815 13.411 1.00 0.00 N ATOM 1668 CD2 HIS A 107 11.780 19.129 14.033 1.00 0.00 C ATOM 1669 CE1 HIS A 107 12.149 20.560 12.448 1.00 0.00 C ATOM 1670 NE2 HIS A 107 11.348 19.543 12.777 1.00 0.00 N ATOM 0 H HIS A 107 11.646 18.723 16.459 1.00 0.00 H new ATOM 0 HA HIS A 107 13.425 20.335 17.792 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.547 20.538 15.561 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.037 18.895 15.893 1.00 0.00 H new ATOM 0 HD2 HIS A 107 11.350 18.319 14.603 1.00 0.00 H new ATOM 0 HE1 HIS A 107 12.079 21.111 11.522 1.00 0.00 H new ATOM 0 HE2 HIS A 107 10.583 19.153 12.226 1.00 0.00 H new ATOM 1678 N HIS A 108 11.534 22.086 15.707 1.00 0.00 N ATOM 1679 CA HIS A 108 11.072 23.436 15.398 1.00 0.00 C ATOM 1680 C HIS A 108 9.798 23.382 14.558 1.00 0.00 C ATOM 1681 CB HIS A 108 12.158 24.204 14.637 1.00 0.00 C ATOM 1682 CG HIS A 108 11.720 25.629 14.434 1.00 0.00 C ATOM 1683 ND1 HIS A 108 11.647 26.537 15.478 1.00 0.00 N ATOM 1684 CD2 HIS A 108 11.329 26.316 13.311 1.00 0.00 C ATOM 1685 CE1 HIS A 108 11.227 27.709 14.968 1.00 0.00 C ATOM 1686 NE2 HIS A 108 11.019 27.630 13.651 1.00 0.00 N ATOM 0 H HIS A 108 11.104 21.353 15.143 1.00 0.00 H new ATOM 0 HA HIS A 108 10.858 23.951 16.335 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.095 24.177 15.194 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.346 23.730 13.674 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.271 25.900 12.316 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.076 28.605 15.552 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.701 28.373 13.028 1.00 0.00 H new TER 1694 HIS A 108