USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 774 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ -179:sc= 1.13 (180deg=0) USER MOD Set 1.2: A 83 THR OG1 : rot 83:sc= 2.22 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 19 CYS SG : rot 9:sc= -4.93! USER MOD Single : A 20 LYS NZ :NH3+ -130:sc= -0.904 (180deg=-3.04!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.284 K(o=-0.28,f=-6.5!) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0255) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -118:sc= 0.536 (180deg=0.113) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= 1.57 (180deg=-0.0958) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.564 K(o=0.56,f=-1.4!) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.17) USER MOD Single : A 56 SER OG : rot -29:sc= 0.233 USER MOD Single : A 69 GLN : amide:sc= -2.08! X(o=-2.1!,f=-1.9) USER MOD Single : A 70 ASN : amide:sc= -3.18! C(o=-3.2!,f=-2.4!) USER MOD Single : A 72 SER OG : rot -148:sc= -0.624 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.17) USER MOD Single : A 92 SER OG : rot 55:sc= 0.936 USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= 0.179 (180deg=0.0313) USER MOD Single : A 106 MET CE :methyl 143:sc= -0.806 (180deg=-2.04!) USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= 0.192 (180deg=-0.655!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -13.122 8.129 4.668 1.00 0.00 N ATOM 61 CA GLY A 5 -12.024 8.986 5.088 1.00 0.00 C ATOM 62 C GLY A 5 -10.850 8.199 5.629 1.00 0.00 C ATOM 63 O GLY A 5 -9.878 8.777 6.118 1.00 0.00 O ATOM 0 HA2 GLY A 5 -11.694 9.589 4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.378 9.676 5.853 1.00 0.00 H new ATOM 67 N ILE A 6 -10.954 6.877 5.552 1.00 0.00 N ATOM 68 CA ILE A 6 -9.856 5.984 5.882 1.00 0.00 C ATOM 69 C ILE A 6 -8.662 6.282 4.973 1.00 0.00 C ATOM 70 O ILE A 6 -7.499 6.172 5.375 1.00 0.00 O ATOM 71 CB ILE A 6 -10.299 4.508 5.723 1.00 0.00 C ATOM 72 CG1 ILE A 6 -11.405 4.174 6.728 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.126 3.557 5.889 1.00 0.00 C ATOM 74 CD1 ILE A 6 -11.866 2.733 6.666 1.00 0.00 C ATOM 0 H ILE A 6 -11.804 6.396 5.258 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.563 6.145 6.919 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.690 4.382 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.047 4.389 7.735 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.258 4.828 6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.471 2.530 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.371 3.775 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.693 3.683 6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.650 2.570 7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.255 2.518 5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.025 2.073 6.877 1.00 0.00 H new ATOM 86 N LEU A 7 -8.968 6.692 3.749 1.00 0.00 N ATOM 87 CA LEU A 7 -7.953 7.098 2.795 1.00 0.00 C ATOM 88 C LEU A 7 -8.199 8.535 2.364 1.00 0.00 C ATOM 89 O LEU A 7 -9.336 9.005 2.355 1.00 0.00 O ATOM 90 CB LEU A 7 -7.942 6.190 1.558 1.00 0.00 C ATOM 91 CG LEU A 7 -9.247 6.154 0.750 1.00 0.00 C ATOM 92 CD1 LEU A 7 -8.967 5.792 -0.700 1.00 0.00 C ATOM 93 CD2 LEU A 7 -10.222 5.153 1.349 1.00 0.00 C ATOM 0 H LEU A 7 -9.922 6.751 3.394 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.983 7.014 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.136 6.514 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.705 5.175 1.877 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.694 7.147 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.904 5.771 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.300 6.535 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.496 4.810 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.140 5.143 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.775 4.159 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.451 5.438 2.376 1.00 0.00 H new ATOM 105 N ASN A 8 -7.132 9.236 2.037 1.00 0.00 N ATOM 106 CA ASN A 8 -7.242 10.585 1.508 1.00 0.00 C ATOM 107 C ASN A 8 -7.054 10.561 0.000 1.00 0.00 C ATOM 108 O ASN A 8 -5.939 10.387 -0.491 1.00 0.00 O ATOM 109 CB ASN A 8 -6.210 11.502 2.165 1.00 0.00 C ATOM 110 CG ASN A 8 -6.674 12.013 3.516 1.00 0.00 C ATOM 111 OD1 ASN A 8 -7.180 13.127 3.632 1.00 0.00 O ATOM 112 ND2 ASN A 8 -6.545 11.185 4.538 1.00 0.00 N ATOM 0 H ASN A 8 -6.175 8.895 2.128 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.234 10.976 1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.271 10.961 2.286 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.008 12.348 1.508 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.871 11.463 5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.119 10.268 4.401 1.00 0.00 H new ATOM 119 N ASP A 9 -8.163 10.737 -0.721 1.00 0.00 N ATOM 120 CA ASP A 9 -8.189 10.676 -2.189 1.00 0.00 C ATOM 121 C ASP A 9 -7.104 11.554 -2.801 1.00 0.00 C ATOM 122 O ASP A 9 -6.478 11.189 -3.797 1.00 0.00 O ATOM 123 CB ASP A 9 -9.567 11.125 -2.696 1.00 0.00 C ATOM 124 CG ASP A 9 -9.708 11.079 -4.209 1.00 0.00 C ATOM 125 OD1 ASP A 9 -9.177 11.979 -4.892 1.00 0.00 O ATOM 126 OD2 ASP A 9 -10.391 10.163 -4.718 1.00 0.00 O ATOM 0 H ASP A 9 -9.074 10.927 -0.304 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.999 9.646 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.333 10.491 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.756 12.142 -2.353 1.00 0.00 H new ATOM 131 N ALA A 10 -6.883 12.705 -2.185 1.00 0.00 N ATOM 132 CA ALA A 10 -5.881 13.652 -2.646 1.00 0.00 C ATOM 133 C ALA A 10 -4.476 13.067 -2.531 1.00 0.00 C ATOM 134 O ALA A 10 -3.657 13.230 -3.430 1.00 0.00 O ATOM 135 CB ALA A 10 -5.989 14.939 -1.846 1.00 0.00 C ATOM 0 H ALA A 10 -7.392 13.008 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.065 13.867 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.237 15.647 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.982 15.369 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.826 14.726 -0.790 1.00 0.00 H new ATOM 141 N ASP A 11 -4.205 12.368 -1.432 1.00 0.00 N ATOM 142 CA ASP A 11 -2.889 11.771 -1.214 1.00 0.00 C ATOM 143 C ASP A 11 -2.679 10.577 -2.122 1.00 0.00 C ATOM 144 O ASP A 11 -1.574 10.352 -2.619 1.00 0.00 O ATOM 145 CB ASP A 11 -2.691 11.364 0.247 1.00 0.00 C ATOM 146 CG ASP A 11 -2.391 12.553 1.136 1.00 0.00 C ATOM 147 OD1 ASP A 11 -1.257 13.077 1.078 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.289 12.983 1.884 1.00 0.00 O ATOM 0 H ASP A 11 -4.875 12.201 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.146 12.530 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.588 10.860 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.874 10.646 0.315 1.00 0.00 H new ATOM 153 N ILE A 12 -3.744 9.817 -2.330 1.00 0.00 N ATOM 154 CA ILE A 12 -3.732 8.730 -3.296 1.00 0.00 C ATOM 155 C ILE A 12 -3.371 9.278 -4.674 1.00 0.00 C ATOM 156 O ILE A 12 -2.411 8.835 -5.304 1.00 0.00 O ATOM 157 CB ILE A 12 -5.108 8.016 -3.346 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.218 6.938 -2.262 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.378 7.400 -4.711 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.390 7.474 -0.861 1.00 0.00 C ATOM 0 H ILE A 12 -4.631 9.934 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.985 7.998 -2.989 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.862 8.781 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.063 6.290 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.323 6.317 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.352 6.910 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.371 8.182 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.605 6.666 -4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.459 6.643 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.534 8.097 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.301 8.070 -0.809 1.00 0.00 H new ATOM 172 N THR A 13 -4.128 10.276 -5.102 1.00 0.00 N ATOM 173 CA THR A 13 -3.935 10.909 -6.396 1.00 0.00 C ATOM 174 C THR A 13 -2.541 11.532 -6.514 1.00 0.00 C ATOM 175 O THR A 13 -1.905 11.450 -7.566 1.00 0.00 O ATOM 176 CB THR A 13 -5.015 11.989 -6.605 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.316 11.392 -6.533 1.00 0.00 O ATOM 178 CG2 THR A 13 -4.855 12.697 -7.940 1.00 0.00 C ATOM 0 H THR A 13 -4.896 10.671 -4.559 1.00 0.00 H new ATOM 0 HA THR A 13 -4.023 10.144 -7.168 1.00 0.00 H new ATOM 0 HB THR A 13 -4.899 12.731 -5.815 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.554 11.237 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.635 13.450 -8.048 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.878 13.178 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.937 11.971 -8.749 1.00 0.00 H new ATOM 186 N ALA A 14 -2.070 12.136 -5.427 1.00 0.00 N ATOM 187 CA ALA A 14 -0.774 12.807 -5.406 1.00 0.00 C ATOM 188 C ALA A 14 0.360 11.858 -5.777 1.00 0.00 C ATOM 189 O ALA A 14 1.049 12.061 -6.778 1.00 0.00 O ATOM 190 CB ALA A 14 -0.521 13.419 -4.038 1.00 0.00 C ATOM 0 H ALA A 14 -2.573 12.174 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.800 13.599 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.449 13.916 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.302 14.146 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.528 12.634 -3.281 1.00 0.00 H new ATOM 196 N ALA A 15 0.542 10.812 -4.979 1.00 0.00 N ATOM 197 CA ALA A 15 1.631 9.874 -5.209 1.00 0.00 C ATOM 198 C ALA A 15 1.458 9.138 -6.534 1.00 0.00 C ATOM 199 O ALA A 15 2.438 8.822 -7.199 1.00 0.00 O ATOM 200 CB ALA A 15 1.741 8.890 -4.056 1.00 0.00 C ATOM 0 H ALA A 15 -0.046 10.594 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 15 2.558 10.444 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.561 8.197 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.933 9.434 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.809 8.333 -3.963 1.00 0.00 H new ATOM 206 N LEU A 16 0.208 8.890 -6.923 1.00 0.00 N ATOM 207 CA LEU A 16 -0.080 8.211 -8.185 1.00 0.00 C ATOM 208 C LEU A 16 0.256 9.091 -9.381 1.00 0.00 C ATOM 209 O LEU A 16 0.628 8.595 -10.444 1.00 0.00 O ATOM 210 CB LEU A 16 -1.544 7.783 -8.241 1.00 0.00 C ATOM 211 CG LEU A 16 -1.898 6.593 -7.356 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.399 6.442 -7.272 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.266 5.320 -7.895 1.00 0.00 C ATOM 0 H LEU A 16 -0.619 9.148 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 16 0.551 7.323 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.167 8.630 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.797 7.538 -9.273 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.505 6.772 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.644 5.590 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.833 7.347 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.805 6.280 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.530 4.482 -7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.632 5.131 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.182 5.433 -7.918 1.00 0.00 H new ATOM 225 N ALA A 17 0.116 10.395 -9.209 1.00 0.00 N ATOM 226 CA ALA A 17 0.493 11.339 -10.247 1.00 0.00 C ATOM 227 C ALA A 17 2.007 11.388 -10.378 1.00 0.00 C ATOM 228 O ALA A 17 2.542 11.641 -11.457 1.00 0.00 O ATOM 229 CB ALA A 17 -0.058 12.721 -9.937 1.00 0.00 C ATOM 0 H ALA A 17 -0.256 10.823 -8.361 1.00 0.00 H new ATOM 0 HA ALA A 17 0.068 11.007 -11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.235 13.415 -10.725 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.145 12.675 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.341 13.066 -8.983 1.00 0.00 H new ATOM 235 N ALA A 18 2.687 11.122 -9.271 1.00 0.00 N ATOM 236 CA ALA A 18 4.136 11.144 -9.236 1.00 0.00 C ATOM 237 C ALA A 18 4.719 9.831 -9.752 1.00 0.00 C ATOM 238 O ALA A 18 5.687 9.828 -10.517 1.00 0.00 O ATOM 239 CB ALA A 18 4.614 11.427 -7.820 1.00 0.00 C ATOM 0 H ALA A 18 2.250 10.887 -8.380 1.00 0.00 H new ATOM 0 HA ALA A 18 4.486 11.940 -9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.704 11.442 -7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.232 12.394 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.250 10.648 -7.150 1.00 0.00 H new ATOM 245 N CYS A 19 4.118 8.713 -9.353 1.00 0.00 N ATOM 246 CA CYS A 19 4.590 7.395 -9.773 1.00 0.00 C ATOM 247 C CYS A 19 4.056 7.051 -11.167 1.00 0.00 C ATOM 248 O CYS A 19 3.561 5.951 -11.419 1.00 0.00 O ATOM 249 CB CYS A 19 4.180 6.324 -8.753 1.00 0.00 C ATOM 250 SG CYS A 19 2.394 6.072 -8.603 1.00 0.00 S ATOM 0 H CYS A 19 3.303 8.693 -8.740 1.00 0.00 H new ATOM 0 HA CYS A 19 5.679 7.419 -9.822 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.645 5.378 -9.032 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.578 6.599 -7.776 1.00 0.00 H new ATOM 0 HG CYS A 19 1.782 6.731 -9.542 1.00 0.00 H new ATOM 256 N LYS A 20 4.145 8.018 -12.064 1.00 0.00 N ATOM 257 CA LYS A 20 3.695 7.848 -13.426 1.00 0.00 C ATOM 258 C LYS A 20 4.885 7.943 -14.381 1.00 0.00 C ATOM 259 O LYS A 20 4.798 7.579 -15.557 1.00 0.00 O ATOM 260 CB LYS A 20 2.643 8.915 -13.737 1.00 0.00 C ATOM 261 CG LYS A 20 2.045 8.813 -15.124 1.00 0.00 C ATOM 262 CD LYS A 20 0.908 9.808 -15.339 1.00 0.00 C ATOM 263 CE LYS A 20 1.396 11.250 -15.448 1.00 0.00 C ATOM 264 NZ LYS A 20 1.717 11.861 -14.128 1.00 0.00 N ATOM 0 H LYS A 20 4.532 8.941 -11.864 1.00 0.00 H new ATOM 0 HA LYS A 20 3.244 6.864 -13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.841 8.843 -13.002 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.095 9.900 -13.620 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.823 8.988 -15.867 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.674 7.801 -15.284 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.366 9.543 -16.247 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.202 9.730 -14.512 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.283 11.280 -16.081 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.632 11.849 -15.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.245 12.784 -14.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.385 11.236 -13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.746 11.990 -14.046 1.00 0.00 H new ATOM 278 N ALA A 21 6.005 8.425 -13.856 1.00 0.00 N ATOM 279 CA ALA A 21 7.229 8.553 -14.634 1.00 0.00 C ATOM 280 C ALA A 21 8.195 7.431 -14.288 1.00 0.00 C ATOM 281 O ALA A 21 8.425 7.143 -13.112 1.00 0.00 O ATOM 282 CB ALA A 21 7.875 9.907 -14.380 1.00 0.00 C ATOM 0 H ALA A 21 6.090 8.735 -12.888 1.00 0.00 H new ATOM 0 HA ALA A 21 6.979 8.480 -15.692 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.789 9.990 -14.968 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.185 10.699 -14.669 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.114 10.003 -13.321 1.00 0.00 H new ATOM 288 N GLU A 22 8.753 6.791 -15.310 1.00 0.00 N ATOM 289 CA GLU A 22 9.692 5.696 -15.106 1.00 0.00 C ATOM 290 C GLU A 22 10.960 6.198 -14.426 1.00 0.00 C ATOM 291 O GLU A 22 11.659 7.068 -14.948 1.00 0.00 O ATOM 292 CB GLU A 22 10.033 5.025 -16.433 1.00 0.00 C ATOM 293 CG GLU A 22 10.897 3.784 -16.281 1.00 0.00 C ATOM 294 CD GLU A 22 11.151 3.088 -17.598 1.00 0.00 C ATOM 295 OE1 GLU A 22 10.192 2.529 -18.170 1.00 0.00 O ATOM 296 OE2 GLU A 22 12.311 3.085 -18.060 1.00 0.00 O ATOM 0 H GLU A 22 8.570 7.013 -16.289 1.00 0.00 H new ATOM 0 HA GLU A 22 9.219 4.958 -14.458 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.108 4.754 -16.942 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.550 5.742 -17.071 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.850 4.062 -15.832 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.412 3.090 -15.595 1.00 0.00 H new ATOM 303 N GLY A 23 11.241 5.647 -13.258 1.00 0.00 N ATOM 304 CA GLY A 23 12.357 6.110 -12.462 1.00 0.00 C ATOM 305 C GLY A 23 11.873 6.836 -11.229 1.00 0.00 C ATOM 306 O GLY A 23 12.606 7.001 -10.254 1.00 0.00 O ATOM 0 H GLY A 23 10.711 4.880 -12.843 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.978 5.263 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.984 6.774 -13.058 1.00 0.00 H new ATOM 310 N SER A 24 10.618 7.252 -11.278 1.00 0.00 N ATOM 311 CA SER A 24 9.988 7.951 -10.177 1.00 0.00 C ATOM 312 C SER A 24 8.958 7.041 -9.509 1.00 0.00 C ATOM 313 O SER A 24 7.806 7.424 -9.306 1.00 0.00 O ATOM 314 CB SER A 24 9.333 9.231 -10.702 1.00 0.00 C ATOM 315 OG SER A 24 10.282 10.044 -11.374 1.00 0.00 O ATOM 0 H SER A 24 10.009 7.113 -12.085 1.00 0.00 H new ATOM 0 HA SER A 24 10.735 8.222 -9.431 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.520 8.976 -11.382 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.894 9.786 -9.873 1.00 0.00 H new ATOM 0 HG SER A 24 9.843 10.856 -11.703 1.00 0.00 H new ATOM 321 N PHE A 25 9.391 5.834 -9.170 1.00 0.00 N ATOM 322 CA PHE A 25 8.498 4.817 -8.629 1.00 0.00 C ATOM 323 C PHE A 25 8.638 4.679 -7.114 1.00 0.00 C ATOM 324 O PHE A 25 8.933 3.596 -6.600 1.00 0.00 O ATOM 325 CB PHE A 25 8.749 3.463 -9.313 1.00 0.00 C ATOM 326 CG PHE A 25 10.200 3.165 -9.602 1.00 0.00 C ATOM 327 CD1 PHE A 25 11.098 2.918 -8.575 1.00 0.00 C ATOM 328 CD2 PHE A 25 10.658 3.122 -10.909 1.00 0.00 C ATOM 329 CE1 PHE A 25 12.423 2.637 -8.847 1.00 0.00 C ATOM 330 CE2 PHE A 25 11.983 2.842 -11.186 1.00 0.00 C ATOM 331 CZ PHE A 25 12.866 2.599 -10.153 1.00 0.00 C ATOM 0 H PHE A 25 10.362 5.534 -9.261 1.00 0.00 H new ATOM 0 HA PHE A 25 7.477 5.138 -8.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.348 2.671 -8.680 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.192 3.435 -10.250 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.758 2.946 -7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.971 3.310 -11.721 1.00 0.00 H new ATOM 0 HE1 PHE A 25 13.112 2.447 -8.037 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.327 2.813 -12.209 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.902 2.380 -10.367 1.00 0.00 H new ATOM 341 N ASP A 26 8.418 5.768 -6.391 1.00 0.00 N ATOM 342 CA ASP A 26 8.461 5.719 -4.939 1.00 0.00 C ATOM 343 C ASP A 26 7.085 5.345 -4.409 1.00 0.00 C ATOM 344 O ASP A 26 6.322 6.180 -3.928 1.00 0.00 O ATOM 345 CB ASP A 26 8.948 7.054 -4.348 1.00 0.00 C ATOM 346 CG ASP A 26 8.156 8.257 -4.824 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.077 8.471 -6.051 1.00 0.00 O ATOM 348 OD2 ASP A 26 7.625 9.008 -3.979 1.00 0.00 O ATOM 0 H ASP A 26 8.210 6.687 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 26 9.178 4.958 -4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.893 7.001 -3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.997 7.195 -4.608 1.00 0.00 H new ATOM 353 N HIS A 27 6.775 4.064 -4.500 1.00 0.00 N ATOM 354 CA HIS A 27 5.461 3.577 -4.130 1.00 0.00 C ATOM 355 C HIS A 27 5.370 3.310 -2.655 1.00 0.00 C ATOM 356 O HIS A 27 4.282 3.236 -2.085 1.00 0.00 O ATOM 357 CB HIS A 27 5.116 2.312 -4.886 1.00 0.00 C ATOM 358 CG HIS A 27 3.696 2.297 -5.353 1.00 0.00 C ATOM 359 ND1 HIS A 27 3.339 2.494 -6.668 1.00 0.00 N ATOM 360 CD2 HIS A 27 2.537 2.140 -4.672 1.00 0.00 C ATOM 361 CE1 HIS A 27 2.027 2.460 -6.778 1.00 0.00 C ATOM 362 NE2 HIS A 27 1.514 2.244 -5.582 1.00 0.00 N ATOM 0 H HIS A 27 7.417 3.342 -4.828 1.00 0.00 H new ATOM 0 HA HIS A 27 4.748 4.359 -4.392 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.779 2.213 -5.745 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.294 1.449 -4.245 1.00 0.00 H new ATOM 0 HD1 HIS A 27 3.990 2.643 -7.439 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.436 1.966 -3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.466 2.587 -7.692 1.00 0.00 H new ATOM 371 N LYS A 28 6.506 3.134 -2.039 1.00 0.00 N ATOM 372 CA LYS A 28 6.547 2.974 -0.626 1.00 0.00 C ATOM 373 C LYS A 28 6.145 4.287 0.027 1.00 0.00 C ATOM 374 O LYS A 28 5.512 4.312 1.085 1.00 0.00 O ATOM 375 CB LYS A 28 7.938 2.576 -0.211 1.00 0.00 C ATOM 376 CG LYS A 28 8.682 1.723 -1.236 1.00 0.00 C ATOM 377 CD LYS A 28 9.932 1.083 -0.643 1.00 0.00 C ATOM 378 CE LYS A 28 10.950 2.118 -0.182 1.00 0.00 C ATOM 379 NZ LYS A 28 11.555 2.855 -1.321 1.00 0.00 N ATOM 0 H LYS A 28 7.414 3.099 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 28 5.855 2.193 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.518 3.478 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.880 2.026 0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.018 0.944 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.961 2.341 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.649 0.454 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.391 0.431 -1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.467 2.826 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.737 1.623 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.278 3.512 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.995 2.179 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.816 3.390 -1.820 1.00 0.00 H new ATOM 393 N ALA A 29 6.505 5.380 -0.642 1.00 0.00 N ATOM 394 CA ALA A 29 6.077 6.705 -0.236 1.00 0.00 C ATOM 395 C ALA A 29 4.568 6.829 -0.378 1.00 0.00 C ATOM 396 O ALA A 29 3.923 7.536 0.385 1.00 0.00 O ATOM 397 CB ALA A 29 6.781 7.769 -1.057 1.00 0.00 C ATOM 0 H ALA A 29 7.097 5.367 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 29 6.344 6.855 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.446 8.756 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.858 7.687 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.545 7.630 -2.112 1.00 0.00 H new ATOM 403 N PHE A 30 4.011 6.123 -1.357 1.00 0.00 N ATOM 404 CA PHE A 30 2.566 6.070 -1.542 1.00 0.00 C ATOM 405 C PHE A 30 1.886 5.563 -0.271 1.00 0.00 C ATOM 406 O PHE A 30 0.969 6.203 0.238 1.00 0.00 O ATOM 407 CB PHE A 30 2.213 5.174 -2.745 1.00 0.00 C ATOM 408 CG PHE A 30 0.739 4.895 -2.916 1.00 0.00 C ATOM 409 CD1 PHE A 30 0.151 3.796 -2.305 1.00 0.00 C ATOM 410 CD2 PHE A 30 -0.054 5.725 -3.692 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.197 3.534 -2.463 1.00 0.00 C ATOM 412 CE2 PHE A 30 -1.402 5.467 -3.854 1.00 0.00 C ATOM 413 CZ PHE A 30 -1.974 4.371 -3.237 1.00 0.00 C ATOM 0 H PHE A 30 4.541 5.578 -2.037 1.00 0.00 H new ATOM 0 HA PHE A 30 2.202 7.077 -1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.587 5.646 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.738 4.225 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.755 3.137 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.387 6.584 -4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.641 2.675 -1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.008 6.122 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.028 4.170 -3.360 1.00 0.00 H new ATOM 423 N PHE A 31 2.362 4.433 0.257 1.00 0.00 N ATOM 424 CA PHE A 31 1.746 3.825 1.440 1.00 0.00 C ATOM 425 C PHE A 31 1.789 4.775 2.630 1.00 0.00 C ATOM 426 O PHE A 31 0.786 4.969 3.318 1.00 0.00 O ATOM 427 CB PHE A 31 2.435 2.508 1.824 1.00 0.00 C ATOM 428 CG PHE A 31 2.621 1.552 0.679 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.558 1.211 -0.141 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.864 0.997 0.424 1.00 0.00 C ATOM 431 CE1 PHE A 31 1.732 0.335 -1.196 1.00 0.00 C ATOM 432 CE2 PHE A 31 4.044 0.119 -0.628 1.00 0.00 C ATOM 433 CZ PHE A 31 2.977 -0.211 -1.438 1.00 0.00 C ATOM 0 H PHE A 31 3.165 3.924 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 31 0.708 3.616 1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.410 2.734 2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.848 2.017 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.582 1.634 0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.702 1.253 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.896 0.078 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.018 -0.308 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.115 -0.896 -2.261 1.00 0.00 H new ATOM 443 N THR A 32 2.947 5.377 2.865 1.00 0.00 N ATOM 444 CA THR A 32 3.117 6.267 4.004 1.00 0.00 C ATOM 445 C THR A 32 2.420 7.611 3.779 1.00 0.00 C ATOM 446 O THR A 32 2.088 8.312 4.735 1.00 0.00 O ATOM 447 CB THR A 32 4.614 6.478 4.343 1.00 0.00 C ATOM 448 OG1 THR A 32 4.760 7.432 5.403 1.00 0.00 O ATOM 449 CG2 THR A 32 5.411 6.933 3.129 1.00 0.00 C ATOM 0 H THR A 32 3.779 5.266 2.285 1.00 0.00 H new ATOM 0 HA THR A 32 2.643 5.783 4.858 1.00 0.00 H new ATOM 0 HB THR A 32 5.010 5.515 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.711 7.553 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.455 7.069 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.341 6.179 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.008 7.877 2.762 1.00 0.00 H new ATOM 457 N LYS A 33 2.176 7.959 2.522 1.00 0.00 N ATOM 458 CA LYS A 33 1.524 9.221 2.198 1.00 0.00 C ATOM 459 C LYS A 33 0.013 9.106 2.348 1.00 0.00 C ATOM 460 O LYS A 33 -0.623 9.944 2.986 1.00 0.00 O ATOM 461 CB LYS A 33 1.863 9.647 0.772 1.00 0.00 C ATOM 462 CG LYS A 33 1.604 11.118 0.505 1.00 0.00 C ATOM 463 CD LYS A 33 1.851 11.471 -0.950 1.00 0.00 C ATOM 464 CE LYS A 33 1.967 12.972 -1.140 1.00 0.00 C ATOM 465 NZ LYS A 33 0.758 13.698 -0.669 1.00 0.00 N ATOM 0 H LYS A 33 2.419 7.387 1.713 1.00 0.00 H new ATOM 0 HA LYS A 33 1.891 9.974 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.913 9.429 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.277 9.050 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.575 11.361 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.249 11.724 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.765 10.987 -1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.036 11.086 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.840 13.337 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.131 13.190 -2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.317 14.195 -1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.080 13.019 -0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.030 14.389 0.060 1.00 0.00 H new ATOM 479 N VAL A 34 -0.559 8.056 1.768 1.00 0.00 N ATOM 480 CA VAL A 34 -1.990 7.858 1.781 1.00 0.00 C ATOM 481 C VAL A 34 -2.479 7.386 3.149 1.00 0.00 C ATOM 482 O VAL A 34 -3.684 7.307 3.398 1.00 0.00 O ATOM 483 CB VAL A 34 -2.393 6.838 0.704 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.841 7.247 -0.651 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.937 5.434 1.072 1.00 0.00 C ATOM 0 H VAL A 34 -0.040 7.326 1.280 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.459 8.818 1.567 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.481 6.826 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.136 6.513 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.237 8.225 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.753 7.297 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.238 4.737 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.852 5.419 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.394 5.139 2.016 1.00 0.00 H new ATOM 495 N GLY A 35 -1.538 7.067 4.028 1.00 0.00 N ATOM 496 CA GLY A 35 -1.886 6.650 5.370 1.00 0.00 C ATOM 497 C GLY A 35 -2.128 5.160 5.469 1.00 0.00 C ATOM 498 O GLY A 35 -2.750 4.685 6.419 1.00 0.00 O ATOM 0 H GLY A 35 -0.537 7.090 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.085 6.931 6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.781 7.182 5.692 1.00 0.00 H new ATOM 502 N LEU A 36 -1.624 4.412 4.497 1.00 0.00 N ATOM 503 CA LEU A 36 -1.872 2.978 4.438 1.00 0.00 C ATOM 504 C LEU A 36 -1.000 2.241 5.450 1.00 0.00 C ATOM 505 O LEU A 36 -1.318 1.127 5.862 1.00 0.00 O ATOM 506 CB LEU A 36 -1.609 2.446 3.028 1.00 0.00 C ATOM 507 CG LEU A 36 -2.267 1.102 2.711 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.779 1.255 2.624 1.00 0.00 C ATOM 509 CD2 LEU A 36 -1.716 0.532 1.413 1.00 0.00 C ATOM 0 H LEU A 36 -1.043 4.773 3.741 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.918 2.802 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.959 3.184 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.532 2.349 2.888 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.036 0.408 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.230 0.289 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.163 1.621 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.028 1.965 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.195 -0.424 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.917 1.226 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.640 0.385 1.508 1.00 0.00 H new ATOM 521 N ALA A 37 0.091 2.876 5.861 1.00 0.00 N ATOM 522 CA ALA A 37 0.992 2.298 6.855 1.00 0.00 C ATOM 523 C ALA A 37 0.410 2.454 8.257 1.00 0.00 C ATOM 524 O ALA A 37 0.974 1.967 9.238 1.00 0.00 O ATOM 525 CB ALA A 37 2.367 2.943 6.759 1.00 0.00 C ATOM 0 H ALA A 37 0.375 3.795 5.521 1.00 0.00 H new ATOM 0 HA ALA A 37 1.101 1.233 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.028 2.503 7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.779 2.774 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.280 4.015 6.939 1.00 0.00 H new ATOM 531 N ALA A 38 -0.717 3.146 8.336 1.00 0.00 N ATOM 532 CA ALA A 38 -1.431 3.333 9.588 1.00 0.00 C ATOM 533 C ALA A 38 -2.806 2.683 9.499 1.00 0.00 C ATOM 534 O ALA A 38 -3.818 3.271 9.881 1.00 0.00 O ATOM 535 CB ALA A 38 -1.552 4.816 9.912 1.00 0.00 C ATOM 0 H ALA A 38 -1.161 3.593 7.534 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.872 2.856 10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.089 4.940 10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.557 5.251 10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.097 5.320 9.114 1.00 0.00 H new ATOM 541 N LYS A 39 -2.835 1.478 8.954 1.00 0.00 N ATOM 542 CA LYS A 39 -4.074 0.727 8.805 1.00 0.00 C ATOM 543 C LYS A 39 -4.120 -0.447 9.769 1.00 0.00 C ATOM 544 O LYS A 39 -3.085 -1.002 10.140 1.00 0.00 O ATOM 545 CB LYS A 39 -4.213 0.231 7.366 1.00 0.00 C ATOM 546 CG LYS A 39 -4.421 1.358 6.371 1.00 0.00 C ATOM 547 CD LYS A 39 -5.803 1.974 6.505 1.00 0.00 C ATOM 548 CE LYS A 39 -5.777 3.475 6.265 1.00 0.00 C ATOM 549 NZ LYS A 39 -5.171 4.211 7.406 1.00 0.00 N ATOM 0 H LYS A 39 -2.008 0.994 8.604 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.907 1.391 9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.319 -0.329 7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.053 -0.461 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.663 2.126 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.288 0.979 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.481 1.504 5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.196 1.772 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.213 3.687 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.793 3.834 6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.849 4.913 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.932 3.540 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.307 4.695 7.088 1.00 0.00 H new ATOM 563 N SER A 40 -5.319 -0.810 10.185 1.00 0.00 N ATOM 564 CA SER A 40 -5.507 -1.951 11.059 1.00 0.00 C ATOM 565 C SER A 40 -5.777 -3.198 10.218 1.00 0.00 C ATOM 566 O SER A 40 -6.102 -3.074 9.036 1.00 0.00 O ATOM 567 CB SER A 40 -6.670 -1.680 12.016 1.00 0.00 C ATOM 568 OG SER A 40 -6.483 -0.458 12.713 1.00 0.00 O ATOM 0 H SER A 40 -6.181 -0.328 9.930 1.00 0.00 H new ATOM 0 HA SER A 40 -4.605 -2.117 11.649 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.605 -1.644 11.456 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.757 -2.500 12.729 1.00 0.00 H new ATOM 0 HG SER A 40 -7.240 -0.307 13.317 1.00 0.00 H new ATOM 574 N PRO A 41 -5.623 -4.408 10.796 1.00 0.00 N ATOM 575 CA PRO A 41 -5.865 -5.670 10.085 1.00 0.00 C ATOM 576 C PRO A 41 -7.128 -5.647 9.223 1.00 0.00 C ATOM 577 O PRO A 41 -7.083 -5.991 8.043 1.00 0.00 O ATOM 578 CB PRO A 41 -6.007 -6.677 11.222 1.00 0.00 C ATOM 579 CG PRO A 41 -5.119 -6.149 12.294 1.00 0.00 C ATOM 580 CD PRO A 41 -5.173 -4.647 12.185 1.00 0.00 C ATOM 0 HA PRO A 41 -5.066 -5.897 9.379 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.040 -6.750 11.562 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.702 -7.676 10.909 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.456 -6.480 13.276 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.099 -6.512 12.168 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.866 -4.218 12.909 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.198 -4.197 12.372 1.00 0.00 H new ATOM 588 N ALA A 42 -8.244 -5.217 9.811 1.00 0.00 N ATOM 589 CA ALA A 42 -9.521 -5.158 9.100 1.00 0.00 C ATOM 590 C ALA A 42 -9.437 -4.259 7.867 1.00 0.00 C ATOM 591 O ALA A 42 -9.929 -4.615 6.789 1.00 0.00 O ATOM 592 CB ALA A 42 -10.619 -4.671 10.032 1.00 0.00 C ATOM 0 H ALA A 42 -8.290 -4.904 10.781 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.760 -6.166 8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.564 -4.631 9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.711 -5.356 10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.369 -3.676 10.400 1.00 0.00 H new ATOM 598 N ASP A 43 -8.795 -3.105 8.024 1.00 0.00 N ATOM 599 CA ASP A 43 -8.635 -2.159 6.927 1.00 0.00 C ATOM 600 C ASP A 43 -7.774 -2.785 5.849 1.00 0.00 C ATOM 601 O ASP A 43 -8.121 -2.781 4.676 1.00 0.00 O ATOM 602 CB ASP A 43 -7.979 -0.856 7.399 1.00 0.00 C ATOM 603 CG ASP A 43 -8.727 -0.179 8.528 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.857 0.297 8.304 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.182 -0.119 9.651 1.00 0.00 O ATOM 0 H ASP A 43 -8.376 -2.803 8.904 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.625 -1.922 6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.960 -1.068 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.908 -0.168 6.557 1.00 0.00 H new ATOM 610 N ILE A 44 -6.659 -3.354 6.271 1.00 0.00 N ATOM 611 CA ILE A 44 -5.729 -4.004 5.361 1.00 0.00 C ATOM 612 C ILE A 44 -6.390 -5.187 4.634 1.00 0.00 C ATOM 613 O ILE A 44 -5.992 -5.540 3.527 1.00 0.00 O ATOM 614 CB ILE A 44 -4.450 -4.447 6.122 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.508 -3.254 6.331 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.721 -5.585 5.416 1.00 0.00 C ATOM 617 CD1 ILE A 44 -3.129 -2.536 5.053 1.00 0.00 C ATOM 0 H ILE A 44 -6.372 -3.379 7.250 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.437 -3.283 4.598 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.769 -4.823 7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.983 -2.543 7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.600 -3.603 6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.834 -5.859 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.383 -6.448 5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.425 -5.263 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.462 -1.706 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.624 -3.230 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.028 -2.154 4.570 1.00 0.00 H new ATOM 629 N LYS A 45 -7.425 -5.772 5.233 1.00 0.00 N ATOM 630 CA LYS A 45 -8.126 -6.891 4.605 1.00 0.00 C ATOM 631 C LYS A 45 -9.072 -6.423 3.501 1.00 0.00 C ATOM 632 O LYS A 45 -9.281 -7.132 2.516 1.00 0.00 O ATOM 633 CB LYS A 45 -8.877 -7.727 5.643 1.00 0.00 C ATOM 634 CG LYS A 45 -7.948 -8.520 6.550 1.00 0.00 C ATOM 635 CD LYS A 45 -6.975 -9.360 5.737 1.00 0.00 C ATOM 636 CE LYS A 45 -5.960 -10.064 6.615 1.00 0.00 C ATOM 637 NZ LYS A 45 -6.575 -11.130 7.448 1.00 0.00 N ATOM 0 H LYS A 45 -7.794 -5.494 6.142 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.368 -7.522 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.497 -7.069 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.550 -8.414 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.394 -7.837 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.536 -9.167 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.530 -10.100 5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.455 -8.722 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.182 -10.500 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.476 -9.334 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.842 -11.582 8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.300 -10.713 8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.015 -11.842 6.831 1.00 0.00 H new ATOM 651 N LYS A 46 -9.646 -5.235 3.640 1.00 0.00 N ATOM 652 CA LYS A 46 -10.437 -4.684 2.548 1.00 0.00 C ATOM 653 C LYS A 46 -9.487 -4.200 1.457 1.00 0.00 C ATOM 654 O LYS A 46 -9.791 -4.260 0.263 1.00 0.00 O ATOM 655 CB LYS A 46 -11.390 -3.569 3.034 1.00 0.00 C ATOM 656 CG LYS A 46 -10.721 -2.266 3.462 1.00 0.00 C ATOM 657 CD LYS A 46 -10.577 -1.283 2.301 1.00 0.00 C ATOM 658 CE LYS A 46 -11.933 -0.765 1.834 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.812 0.226 0.728 1.00 0.00 N ATOM 0 H LYS A 46 -9.583 -4.649 4.472 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.082 -5.461 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.097 -3.347 2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.969 -3.952 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.306 -1.803 4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.736 -2.484 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.953 -0.444 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.068 -1.772 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.544 -1.604 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.453 -0.305 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.760 0.548 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.251 1.040 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.340 -0.218 -0.086 1.00 0.00 H new ATOM 673 N VAL A 47 -8.303 -3.764 1.877 1.00 0.00 N ATOM 674 CA VAL A 47 -7.263 -3.389 0.938 1.00 0.00 C ATOM 675 C VAL A 47 -6.749 -4.636 0.214 1.00 0.00 C ATOM 676 O VAL A 47 -6.350 -4.567 -0.944 1.00 0.00 O ATOM 677 CB VAL A 47 -6.104 -2.633 1.626 1.00 0.00 C ATOM 678 CG1 VAL A 47 -5.095 -2.137 0.603 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.640 -1.462 2.436 1.00 0.00 C ATOM 0 H VAL A 47 -8.045 -3.664 2.859 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.696 -2.703 0.210 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.601 -3.329 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.290 -1.608 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.683 -2.986 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.588 -1.461 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.811 -0.940 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.169 -0.775 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.325 -1.831 3.199 1.00 0.00 H new ATOM 689 N PHE A 48 -6.787 -5.775 0.909 1.00 0.00 N ATOM 690 CA PHE A 48 -6.549 -7.082 0.293 1.00 0.00 C ATOM 691 C PHE A 48 -7.443 -7.260 -0.920 1.00 0.00 C ATOM 692 O PHE A 48 -6.983 -7.618 -2.006 1.00 0.00 O ATOM 693 CB PHE A 48 -6.802 -8.203 1.315 1.00 0.00 C ATOM 694 CG PHE A 48 -7.205 -9.536 0.720 1.00 0.00 C ATOM 695 CD1 PHE A 48 -6.427 -10.164 -0.244 1.00 0.00 C ATOM 696 CD2 PHE A 48 -8.373 -10.159 1.133 1.00 0.00 C ATOM 697 CE1 PHE A 48 -6.803 -11.381 -0.779 1.00 0.00 C ATOM 698 CE2 PHE A 48 -8.754 -11.376 0.603 1.00 0.00 C ATOM 699 CZ PHE A 48 -7.967 -11.987 -0.354 1.00 0.00 C ATOM 0 H PHE A 48 -6.983 -5.818 1.909 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.510 -7.135 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.897 -8.345 1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.584 -7.878 2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.515 -9.694 -0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.993 -9.686 1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.187 -11.857 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.666 -11.849 0.936 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.263 -12.939 -0.769 1.00 0.00 H new ATOM 709 N GLU A 49 -8.720 -6.990 -0.732 1.00 0.00 N ATOM 710 CA GLU A 49 -9.684 -7.108 -1.810 1.00 0.00 C ATOM 711 C GLU A 49 -9.422 -6.066 -2.896 1.00 0.00 C ATOM 712 O GLU A 49 -9.960 -6.161 -3.996 1.00 0.00 O ATOM 713 CB GLU A 49 -11.101 -6.957 -1.262 1.00 0.00 C ATOM 714 CG GLU A 49 -11.412 -7.913 -0.126 1.00 0.00 C ATOM 715 CD GLU A 49 -12.855 -7.835 0.315 1.00 0.00 C ATOM 716 OE1 GLU A 49 -13.216 -6.883 1.036 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.638 -8.729 -0.064 1.00 0.00 O ATOM 0 H GLU A 49 -9.115 -6.687 0.158 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.578 -8.096 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.241 -5.933 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.814 -7.120 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.186 -8.932 -0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.764 -7.689 0.721 1.00 0.00 H new ATOM 724 N ILE A 50 -8.619 -5.056 -2.579 1.00 0.00 N ATOM 725 CA ILE A 50 -8.214 -4.078 -3.580 1.00 0.00 C ATOM 726 C ILE A 50 -7.144 -4.641 -4.531 1.00 0.00 C ATOM 727 O ILE A 50 -7.315 -4.554 -5.748 1.00 0.00 O ATOM 728 CB ILE A 50 -7.716 -2.766 -2.950 1.00 0.00 C ATOM 729 CG1 ILE A 50 -8.746 -2.227 -1.960 1.00 0.00 C ATOM 730 CG2 ILE A 50 -7.464 -1.734 -4.033 1.00 0.00 C ATOM 731 CD1 ILE A 50 -8.275 -0.993 -1.227 1.00 0.00 C ATOM 0 H ILE A 50 -8.239 -4.894 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.110 -3.855 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.786 -2.968 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.668 -1.995 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.985 -3.004 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.112 -0.808 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.709 -2.109 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.390 -1.542 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.052 -0.660 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.370 -1.226 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.063 -0.201 -1.946 1.00 0.00 H new ATOM 743 N ILE A 51 -6.051 -5.230 -4.001 1.00 0.00 N ATOM 744 CA ILE A 51 -5.038 -5.847 -4.880 1.00 0.00 C ATOM 745 C ILE A 51 -5.648 -7.067 -5.556 1.00 0.00 C ATOM 746 O ILE A 51 -5.198 -7.500 -6.616 1.00 0.00 O ATOM 747 CB ILE A 51 -3.681 -6.236 -4.184 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.908 -7.033 -2.882 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.850 -4.988 -3.901 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.976 -6.168 -1.642 1.00 0.00 C ATOM 0 H ILE A 51 -5.851 -5.291 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.764 -5.079 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.135 -6.880 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.835 -7.599 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.102 -7.757 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.915 -5.275 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.633 -4.475 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.407 -4.321 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.137 -6.798 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.040 -5.621 -1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.800 -5.461 -1.736 1.00 0.00 H new ATOM 762 N ASP A 52 -6.698 -7.604 -4.942 1.00 0.00 N ATOM 763 CA ASP A 52 -7.502 -8.639 -5.570 1.00 0.00 C ATOM 764 C ASP A 52 -8.677 -7.992 -6.293 1.00 0.00 C ATOM 765 O ASP A 52 -9.835 -8.241 -5.955 1.00 0.00 O ATOM 766 CB ASP A 52 -8.039 -9.633 -4.534 1.00 0.00 C ATOM 767 CG ASP A 52 -8.536 -10.923 -5.167 1.00 0.00 C ATOM 768 OD1 ASP A 52 -8.209 -11.197 -6.356 1.00 0.00 O ATOM 769 OD2 ASP A 52 -9.260 -11.674 -4.489 1.00 0.00 O ATOM 0 H ASP A 52 -7.010 -7.337 -4.008 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.871 -9.182 -6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.253 -9.864 -3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.853 -9.168 -3.977 1.00 0.00 H new ATOM 774 N GLN A 53 -8.382 -7.171 -7.296 1.00 0.00 N ATOM 775 CA GLN A 53 -9.414 -6.375 -7.964 1.00 0.00 C ATOM 776 C GLN A 53 -10.402 -7.282 -8.696 1.00 0.00 C ATOM 777 O GLN A 53 -11.530 -6.888 -8.992 1.00 0.00 O ATOM 778 CB GLN A 53 -8.773 -5.372 -8.933 1.00 0.00 C ATOM 779 CG GLN A 53 -8.327 -5.980 -10.253 1.00 0.00 C ATOM 780 CD GLN A 53 -9.255 -5.620 -11.397 1.00 0.00 C ATOM 781 OE1 GLN A 53 -9.822 -4.527 -11.432 1.00 0.00 O ATOM 782 NE2 GLN A 53 -9.444 -6.546 -12.320 1.00 0.00 N ATOM 0 H GLN A 53 -7.441 -7.037 -7.666 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.964 -5.816 -7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.486 -4.573 -9.136 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.911 -4.914 -8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.318 -5.638 -10.485 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.281 -7.064 -10.153 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.955 -7.439 -12.254 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.079 -6.368 -13.098 1.00 0.00 H new ATOM 791 N ASP A 54 -9.959 -8.499 -8.980 1.00 0.00 N ATOM 792 CA ASP A 54 -10.802 -9.506 -9.623 1.00 0.00 C ATOM 793 C ASP A 54 -11.642 -10.260 -8.602 1.00 0.00 C ATOM 794 O ASP A 54 -12.647 -10.881 -8.952 1.00 0.00 O ATOM 795 CB ASP A 54 -9.945 -10.512 -10.387 1.00 0.00 C ATOM 796 CG ASP A 54 -9.528 -10.021 -11.752 1.00 0.00 C ATOM 797 OD1 ASP A 54 -8.552 -9.250 -11.857 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.183 -10.407 -12.744 1.00 0.00 O ATOM 0 H ASP A 54 -9.012 -8.818 -8.774 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.463 -8.980 -10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.054 -10.739 -9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.500 -11.443 -10.497 1.00 0.00 H new ATOM 803 N LYS A 55 -11.222 -10.195 -7.341 1.00 0.00 N ATOM 804 CA LYS A 55 -11.835 -10.971 -6.268 1.00 0.00 C ATOM 805 C LYS A 55 -11.699 -12.466 -6.570 1.00 0.00 C ATOM 806 O LYS A 55 -12.681 -13.178 -6.777 1.00 0.00 O ATOM 807 CB LYS A 55 -13.302 -10.569 -6.059 1.00 0.00 C ATOM 808 CG LYS A 55 -13.926 -11.164 -4.806 1.00 0.00 C ATOM 809 CD LYS A 55 -13.185 -10.733 -3.549 1.00 0.00 C ATOM 810 CE LYS A 55 -13.762 -11.412 -2.318 1.00 0.00 C ATOM 811 NZ LYS A 55 -12.980 -11.110 -1.090 1.00 0.00 N ATOM 0 H LYS A 55 -10.449 -9.604 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.312 -10.757 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.368 -9.482 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.882 -10.882 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.969 -10.855 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.919 -12.252 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.128 -10.980 -3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.251 -9.651 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.794 -11.090 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.784 -12.490 -2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.291 -11.734 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.969 -11.267 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.132 -10.118 -0.817 1.00 0.00 H new ATOM 825 N SER A 56 -10.458 -12.923 -6.609 1.00 0.00 N ATOM 826 CA SER A 56 -10.146 -14.284 -7.013 1.00 0.00 C ATOM 827 C SER A 56 -9.387 -15.030 -5.917 1.00 0.00 C ATOM 828 O SER A 56 -8.843 -16.107 -6.156 1.00 0.00 O ATOM 829 CB SER A 56 -9.315 -14.248 -8.298 1.00 0.00 C ATOM 830 OG SER A 56 -8.150 -13.437 -8.145 1.00 0.00 O ATOM 0 H SER A 56 -9.642 -12.363 -6.363 1.00 0.00 H new ATOM 0 HA SER A 56 -11.080 -14.818 -7.189 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.021 -15.261 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.924 -13.862 -9.116 1.00 0.00 H new ATOM 0 HG SER A 56 -8.328 -12.728 -7.492 1.00 0.00 H new ATOM 836 N ASP A 57 -9.327 -14.420 -4.729 1.00 0.00 N ATOM 837 CA ASP A 57 -8.637 -14.986 -3.556 1.00 0.00 C ATOM 838 C ASP A 57 -7.119 -14.957 -3.747 1.00 0.00 C ATOM 839 O ASP A 57 -6.350 -15.286 -2.846 1.00 0.00 O ATOM 840 CB ASP A 57 -9.125 -16.415 -3.272 1.00 0.00 C ATOM 841 CG ASP A 57 -8.528 -17.011 -2.011 1.00 0.00 C ATOM 842 OD1 ASP A 57 -8.937 -16.605 -0.901 1.00 0.00 O ATOM 843 OD2 ASP A 57 -7.659 -17.902 -2.122 1.00 0.00 O ATOM 0 H ASP A 57 -9.758 -13.513 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.879 -14.367 -2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.211 -16.410 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.876 -17.052 -4.120 1.00 0.00 H new ATOM 848 N PHE A 58 -6.703 -14.509 -4.919 1.00 0.00 N ATOM 849 CA PHE A 58 -5.299 -14.330 -5.241 1.00 0.00 C ATOM 850 C PHE A 58 -5.137 -13.009 -5.966 1.00 0.00 C ATOM 851 O PHE A 58 -6.066 -12.556 -6.641 1.00 0.00 O ATOM 852 CB PHE A 58 -4.782 -15.474 -6.120 1.00 0.00 C ATOM 853 CG PHE A 58 -4.722 -16.806 -5.430 1.00 0.00 C ATOM 854 CD1 PHE A 58 -3.657 -17.121 -4.602 1.00 0.00 C ATOM 855 CD2 PHE A 58 -5.723 -17.746 -5.615 1.00 0.00 C ATOM 856 CE1 PHE A 58 -3.592 -18.348 -3.971 1.00 0.00 C ATOM 857 CE2 PHE A 58 -5.664 -18.973 -4.985 1.00 0.00 C ATOM 858 CZ PHE A 58 -4.597 -19.275 -4.162 1.00 0.00 C ATOM 0 H PHE A 58 -7.335 -14.258 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.718 -14.332 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.424 -15.561 -6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.785 -15.219 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.869 -16.399 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.559 -17.516 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.756 -18.582 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.452 -19.696 -5.136 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.549 -20.235 -3.669 1.00 0.00 H new ATOM 868 N VAL A 59 -3.982 -12.386 -5.828 1.00 0.00 N ATOM 869 CA VAL A 59 -3.750 -11.081 -6.421 1.00 0.00 C ATOM 870 C VAL A 59 -2.541 -11.129 -7.369 1.00 0.00 C ATOM 871 O VAL A 59 -1.389 -11.211 -6.943 1.00 0.00 O ATOM 872 CB VAL A 59 -3.626 -9.989 -5.307 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.594 -10.613 -3.922 1.00 0.00 C ATOM 874 CG2 VAL A 59 -2.428 -9.082 -5.489 1.00 0.00 C ATOM 0 H VAL A 59 -3.188 -12.763 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.607 -10.799 -7.032 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.518 -9.370 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.507 -9.828 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.513 -11.175 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.739 -11.284 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.401 -8.348 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.515 -9.677 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.504 -8.567 -6.447 1.00 0.00 H new ATOM 884 N GLU A 60 -2.836 -11.176 -8.667 1.00 0.00 N ATOM 885 CA GLU A 60 -1.801 -11.243 -9.702 1.00 0.00 C ATOM 886 C GLU A 60 -1.439 -9.860 -10.244 1.00 0.00 C ATOM 887 O GLU A 60 -2.084 -8.869 -9.905 1.00 0.00 O ATOM 888 CB GLU A 60 -2.252 -12.142 -10.852 1.00 0.00 C ATOM 889 CG GLU A 60 -2.285 -13.618 -10.497 1.00 0.00 C ATOM 890 CD GLU A 60 -0.909 -14.172 -10.191 1.00 0.00 C ATOM 891 OE1 GLU A 60 -0.059 -14.208 -11.108 1.00 0.00 O ATOM 892 OE2 GLU A 60 -0.677 -14.585 -9.039 1.00 0.00 O ATOM 0 H GLU A 60 -3.789 -11.169 -9.030 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.911 -11.664 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.246 -11.833 -11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.582 -11.996 -11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.933 -13.766 -9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.723 -14.177 -11.324 1.00 0.00 H new ATOM 899 N GLU A 61 -0.432 -9.805 -11.116 1.00 0.00 N ATOM 900 CA GLU A 61 0.036 -8.543 -11.693 1.00 0.00 C ATOM 901 C GLU A 61 -1.078 -7.822 -12.449 1.00 0.00 C ATOM 902 O GLU A 61 -1.247 -6.606 -12.313 1.00 0.00 O ATOM 903 CB GLU A 61 1.220 -8.803 -12.628 1.00 0.00 C ATOM 904 CG GLU A 61 1.754 -7.553 -13.311 1.00 0.00 C ATOM 905 CD GLU A 61 2.948 -7.835 -14.198 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.779 -8.494 -15.242 1.00 0.00 O ATOM 907 OE2 GLU A 61 4.066 -7.394 -13.858 1.00 0.00 O ATOM 0 H GLU A 61 0.079 -10.626 -11.441 1.00 0.00 H new ATOM 0 HA GLU A 61 0.353 -7.899 -10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.026 -9.265 -12.058 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.917 -9.520 -13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.961 -7.104 -13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.035 -6.822 -12.553 1.00 0.00 H new ATOM 914 N ASP A 62 -1.848 -8.575 -13.230 1.00 0.00 N ATOM 915 CA ASP A 62 -2.951 -8.002 -14.004 1.00 0.00 C ATOM 916 C ASP A 62 -3.982 -7.355 -13.095 1.00 0.00 C ATOM 917 O ASP A 62 -4.748 -6.491 -13.520 1.00 0.00 O ATOM 918 CB ASP A 62 -3.629 -9.062 -14.875 1.00 0.00 C ATOM 919 CG ASP A 62 -2.825 -9.399 -16.109 1.00 0.00 C ATOM 920 OD1 ASP A 62 -2.690 -8.527 -16.990 1.00 0.00 O ATOM 921 OD2 ASP A 62 -2.306 -10.531 -16.197 1.00 0.00 O ATOM 0 H ASP A 62 -1.731 -9.582 -13.345 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.523 -7.237 -14.652 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.782 -9.967 -14.287 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.615 -8.706 -15.174 1.00 0.00 H new ATOM 926 N GLU A 63 -3.999 -7.771 -11.842 1.00 0.00 N ATOM 927 CA GLU A 63 -4.896 -7.187 -10.870 1.00 0.00 C ATOM 928 C GLU A 63 -4.321 -5.899 -10.324 1.00 0.00 C ATOM 929 O GLU A 63 -5.040 -4.926 -10.164 1.00 0.00 O ATOM 930 CB GLU A 63 -5.190 -8.174 -9.751 1.00 0.00 C ATOM 931 CG GLU A 63 -6.034 -9.331 -10.229 1.00 0.00 C ATOM 932 CD GLU A 63 -6.482 -10.236 -9.120 1.00 0.00 C ATOM 933 OE1 GLU A 63 -7.553 -10.016 -8.541 1.00 0.00 O ATOM 934 OE2 GLU A 63 -5.804 -11.219 -8.814 1.00 0.00 O ATOM 0 H GLU A 63 -3.400 -8.512 -11.476 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.838 -6.952 -11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.252 -8.552 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.705 -7.660 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.910 -8.943 -10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.465 -9.912 -10.955 1.00 0.00 H new ATOM 941 N LEU A 64 -3.014 -5.885 -10.084 1.00 0.00 N ATOM 942 CA LEU A 64 -2.333 -4.682 -9.620 1.00 0.00 C ATOM 943 C LEU A 64 -2.420 -3.571 -10.651 1.00 0.00 C ATOM 944 O LEU A 64 -2.210 -2.402 -10.339 1.00 0.00 O ATOM 945 CB LEU A 64 -0.868 -4.959 -9.287 1.00 0.00 C ATOM 946 CG LEU A 64 -0.612 -5.526 -7.890 1.00 0.00 C ATOM 947 CD1 LEU A 64 -1.367 -4.727 -6.847 1.00 0.00 C ATOM 948 CD2 LEU A 64 -0.989 -6.992 -7.817 1.00 0.00 C ATOM 0 H LEU A 64 -2.405 -6.694 -10.203 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.840 -4.361 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.471 -5.658 -10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.306 -4.031 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 64 0.455 -5.445 -7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.174 -5.144 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.036 -3.689 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.436 -4.772 -7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.796 -7.368 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.047 -7.108 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.395 -7.557 -8.536 1.00 0.00 H new ATOM 960 N LYS A 65 -2.707 -3.941 -11.884 1.00 0.00 N ATOM 961 CA LYS A 65 -2.874 -2.965 -12.942 1.00 0.00 C ATOM 962 C LYS A 65 -4.093 -2.084 -12.686 1.00 0.00 C ATOM 963 O LYS A 65 -4.001 -0.860 -12.728 1.00 0.00 O ATOM 964 CB LYS A 65 -2.997 -3.663 -14.298 1.00 0.00 C ATOM 965 CG LYS A 65 -1.828 -3.409 -15.237 1.00 0.00 C ATOM 966 CD LYS A 65 -0.493 -3.746 -14.593 1.00 0.00 C ATOM 967 CE LYS A 65 0.631 -3.739 -15.614 1.00 0.00 C ATOM 968 NZ LYS A 65 1.958 -3.962 -14.985 1.00 0.00 N ATOM 0 H LYS A 65 -2.829 -4.910 -12.177 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.991 -2.327 -12.955 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.091 -4.737 -14.134 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.916 -3.333 -14.782 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.954 -4.004 -16.141 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.829 -2.362 -15.542 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.275 -3.025 -13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.552 -4.727 -14.121 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.449 -4.514 -16.359 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.636 -2.785 -16.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.698 -3.933 -15.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.137 -3.219 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.969 -4.891 -14.518 1.00 0.00 H new ATOM 982 N LEU A 66 -5.243 -2.702 -12.451 1.00 0.00 N ATOM 983 CA LEU A 66 -6.471 -1.947 -12.216 1.00 0.00 C ATOM 984 C LEU A 66 -6.853 -1.905 -10.738 1.00 0.00 C ATOM 985 O LEU A 66 -7.895 -1.350 -10.376 1.00 0.00 O ATOM 986 CB LEU A 66 -7.627 -2.501 -13.055 1.00 0.00 C ATOM 987 CG LEU A 66 -7.413 -2.452 -14.573 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.647 -1.195 -14.971 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.701 -3.706 -15.062 1.00 0.00 C ATOM 0 H LEU A 66 -5.353 -3.715 -12.418 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.274 -0.922 -12.528 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.804 -3.536 -12.762 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.531 -1.942 -12.813 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.391 -2.415 -15.053 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.507 -1.181 -16.052 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.211 -0.313 -14.667 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.674 -1.190 -14.479 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.561 -3.647 -16.141 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.730 -3.787 -14.574 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.302 -4.583 -14.821 1.00 0.00 H new ATOM 1001 N PHE A 67 -6.008 -2.469 -9.880 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.309 -2.517 -8.450 1.00 0.00 C ATOM 1003 C PHE A 67 -6.412 -1.102 -7.904 1.00 0.00 C ATOM 1004 O PHE A 67 -7.126 -0.839 -6.942 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.246 -3.325 -7.679 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.226 -2.508 -6.919 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -3.144 -1.939 -7.565 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -4.353 -2.321 -5.553 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -2.209 -1.200 -6.865 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -3.423 -1.582 -4.846 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.349 -1.020 -5.504 1.00 0.00 C ATOM 0 H PHE A 67 -5.119 -2.895 -10.144 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.264 -3.024 -8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.756 -3.982 -6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.718 -3.964 -8.387 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.028 -2.074 -8.630 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.191 -2.759 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.368 -0.763 -7.383 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.537 -1.445 -3.781 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.620 -0.441 -4.956 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.716 -0.187 -8.559 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.691 1.197 -8.135 1.00 0.00 C ATOM 1023 C LEU A 68 -7.009 1.870 -8.451 1.00 0.00 C ATOM 1024 O LEU A 68 -7.469 2.719 -7.697 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.539 1.933 -8.812 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.262 1.112 -8.931 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -3.025 0.706 -10.375 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.076 1.875 -8.375 1.00 0.00 C ATOM 0 H LEU A 68 -5.159 -0.383 -9.391 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.539 1.230 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.854 2.241 -9.809 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.323 2.842 -8.251 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.379 0.205 -8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.108 0.120 -10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.865 0.107 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.931 1.599 -10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.176 1.268 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.948 2.804 -8.930 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.250 2.102 -7.323 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.627 1.470 -9.554 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.946 1.971 -9.904 1.00 0.00 C ATOM 1042 C GLN A 69 -9.966 1.452 -8.904 1.00 0.00 C ATOM 1043 O GLN A 69 -11.023 2.049 -8.699 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.336 1.546 -11.318 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.475 2.168 -12.404 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.938 1.784 -13.795 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -10.120 1.523 -14.016 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -8.018 1.757 -14.743 1.00 0.00 N ATOM 0 H GLN A 69 -7.237 0.802 -10.219 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.924 3.060 -9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.270 0.461 -11.392 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.377 1.815 -11.494 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.495 3.253 -12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.440 1.854 -12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.048 1.980 -14.519 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.278 1.513 -15.699 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.625 0.336 -8.272 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.470 -0.244 -7.237 1.00 0.00 C ATOM 1059 C ASN A 70 -10.201 0.455 -5.906 1.00 0.00 C ATOM 1060 O ASN A 70 -11.083 0.567 -5.053 1.00 0.00 O ATOM 1061 CB ASN A 70 -10.214 -1.752 -7.123 1.00 0.00 C ATOM 1062 CG ASN A 70 -11.131 -2.439 -6.126 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -12.253 -1.997 -5.879 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -10.664 -3.541 -5.556 1.00 0.00 N ATOM 0 H ASN A 70 -8.768 -0.186 -8.459 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.517 -0.100 -7.504 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.344 -2.211 -8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.178 -1.917 -6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.240 -4.053 -4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.729 -3.877 -5.786 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.976 0.940 -5.750 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.590 1.718 -4.579 1.00 0.00 C ATOM 1073 C PHE A 71 -9.246 3.098 -4.648 1.00 0.00 C ATOM 1074 O PHE A 71 -9.891 3.547 -3.698 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.059 1.861 -4.534 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.496 2.189 -3.175 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.722 3.423 -2.587 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.729 1.258 -2.491 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -6.195 3.719 -1.344 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.202 1.549 -1.248 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.437 2.782 -0.673 1.00 0.00 C ATOM 0 H PHE A 71 -8.225 0.806 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.923 1.208 -3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.611 0.931 -4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.760 2.641 -5.234 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.316 4.161 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.541 0.292 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.377 4.685 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.607 0.813 -0.727 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.028 3.012 0.300 1.00 0.00 H new ATOM 1091 N SER A 72 -9.075 3.757 -5.787 1.00 0.00 N ATOM 1092 CA SER A 72 -9.658 5.067 -6.036 1.00 0.00 C ATOM 1093 C SER A 72 -9.987 5.216 -7.522 1.00 0.00 C ATOM 1094 O SER A 72 -9.235 4.768 -8.387 1.00 0.00 O ATOM 1095 CB SER A 72 -8.693 6.163 -5.582 1.00 0.00 C ATOM 1096 OG SER A 72 -8.396 6.031 -4.203 1.00 0.00 O ATOM 0 H SER A 72 -8.526 3.395 -6.567 1.00 0.00 H new ATOM 0 HA SER A 72 -10.582 5.164 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.773 6.108 -6.164 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.132 7.142 -5.772 1.00 0.00 H new ATOM 0 HG SER A 72 -8.239 6.918 -3.816 1.00 0.00 H new ATOM 1102 N ALA A 73 -11.123 5.851 -7.801 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.680 5.906 -9.150 1.00 0.00 C ATOM 1104 C ALA A 73 -10.785 6.671 -10.122 1.00 0.00 C ATOM 1105 O ALA A 73 -10.798 6.402 -11.324 1.00 0.00 O ATOM 1106 CB ALA A 73 -13.069 6.523 -9.116 1.00 0.00 C ATOM 0 H ALA A 73 -11.681 6.340 -7.101 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.744 4.881 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.476 6.560 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.720 5.919 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.008 7.534 -8.713 1.00 0.00 H new ATOM 1112 N GLY A 74 -10.016 7.617 -9.607 1.00 0.00 N ATOM 1113 CA GLY A 74 -9.138 8.398 -10.455 1.00 0.00 C ATOM 1114 C GLY A 74 -7.677 8.074 -10.222 1.00 0.00 C ATOM 1115 O GLY A 74 -6.848 8.972 -10.069 1.00 0.00 O ATOM 0 H GLY A 74 -9.983 7.859 -8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.387 8.213 -11.500 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.307 9.459 -10.270 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.362 6.787 -10.184 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.995 6.341 -9.961 1.00 0.00 C ATOM 1121 C ALA A 75 -5.331 5.928 -11.268 1.00 0.00 C ATOM 1122 O ALA A 75 -6.006 5.593 -12.241 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.978 5.188 -8.977 1.00 0.00 C ATOM 0 H ALA A 75 -8.037 6.032 -10.305 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.429 7.174 -9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.950 4.861 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.408 5.512 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.564 4.360 -9.376 1.00 0.00 H new ATOM 1129 N ARG A 76 -4.004 5.950 -11.275 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.229 5.634 -12.464 1.00 0.00 C ATOM 1131 C ARG A 76 -2.871 4.157 -12.489 1.00 0.00 C ATOM 1132 O ARG A 76 -2.580 3.574 -11.449 1.00 0.00 O ATOM 1133 CB ARG A 76 -1.939 6.460 -12.489 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.154 7.950 -12.276 1.00 0.00 C ATOM 1135 CD ARG A 76 -3.085 8.535 -13.322 1.00 0.00 C ATOM 1136 NE ARG A 76 -3.411 9.930 -13.038 1.00 0.00 N ATOM 1137 CZ ARG A 76 -4.624 10.456 -13.196 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -5.620 9.713 -13.666 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -4.836 11.727 -12.885 1.00 0.00 N ATOM 0 H ARG A 76 -3.439 6.186 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.835 5.874 -13.338 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.266 6.087 -11.717 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.441 6.309 -13.447 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.569 8.120 -11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.194 8.466 -12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.619 8.463 -14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.003 7.948 -13.361 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.665 10.537 -12.698 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.457 8.735 -13.907 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.548 10.120 -13.785 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.071 12.299 -12.526 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.764 12.133 -13.005 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.891 3.559 -13.674 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.465 2.176 -13.827 1.00 0.00 C ATOM 1155 C ALA A 77 -0.946 2.117 -13.880 1.00 0.00 C ATOM 1156 O ALA A 77 -0.308 2.902 -14.587 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.079 1.549 -15.072 1.00 0.00 C ATOM 0 H ALA A 77 -3.196 4.008 -14.538 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.813 1.601 -12.969 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.744 0.516 -15.162 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.166 1.573 -14.993 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.767 2.110 -15.953 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.373 1.198 -13.121 1.00 0.00 N ATOM 1164 CA LEU A 78 1.071 1.140 -12.945 1.00 0.00 C ATOM 1165 C LEU A 78 1.764 0.581 -14.180 1.00 0.00 C ATOM 1166 O LEU A 78 1.257 -0.332 -14.839 1.00 0.00 O ATOM 1167 CB LEU A 78 1.411 0.298 -11.719 1.00 0.00 C ATOM 1168 CG LEU A 78 0.724 0.739 -10.427 1.00 0.00 C ATOM 1169 CD1 LEU A 78 1.232 -0.076 -9.252 1.00 0.00 C ATOM 1170 CD2 LEU A 78 0.931 2.230 -10.186 1.00 0.00 C ATOM 0 H LEU A 78 -0.888 0.478 -12.614 1.00 0.00 H new ATOM 0 HA LEU A 78 1.434 2.157 -12.796 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.141 -0.739 -11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.490 0.323 -11.567 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.347 0.562 -10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.733 0.251 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.021 -1.132 -9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.308 0.067 -9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.433 2.522 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.997 2.441 -10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.510 2.795 -11.018 1.00 0.00 H new ATOM 1182 N SER A 79 2.929 1.138 -14.480 1.00 0.00 N ATOM 1183 CA SER A 79 3.678 0.764 -15.666 1.00 0.00 C ATOM 1184 C SER A 79 4.758 -0.272 -15.357 1.00 0.00 C ATOM 1185 O SER A 79 4.803 -0.808 -14.252 1.00 0.00 O ATOM 1186 CB SER A 79 4.284 2.019 -16.299 1.00 0.00 C ATOM 1187 OG SER A 79 4.917 2.826 -15.319 1.00 0.00 O ATOM 0 H SER A 79 3.377 1.856 -13.911 1.00 0.00 H new ATOM 0 HA SER A 79 2.993 0.297 -16.373 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.007 1.733 -17.063 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.503 2.592 -16.799 1.00 0.00 H new ATOM 0 HG SER A 79 5.298 3.621 -15.747 1.00 0.00 H new ATOM 1193 N ASP A 80 5.611 -0.545 -16.348 1.00 0.00 N ATOM 1194 CA ASP A 80 6.630 -1.598 -16.264 1.00 0.00 C ATOM 1195 C ASP A 80 7.428 -1.527 -14.990 1.00 0.00 C ATOM 1196 O ASP A 80 7.335 -2.421 -14.147 1.00 0.00 O ATOM 1197 CB ASP A 80 7.579 -1.539 -17.464 1.00 0.00 C ATOM 1198 CG ASP A 80 6.890 -1.859 -18.771 1.00 0.00 C ATOM 1199 OD1 ASP A 80 6.354 -0.927 -19.407 1.00 0.00 O ATOM 1200 OD2 ASP A 80 6.877 -3.046 -19.164 1.00 0.00 O ATOM 0 H ASP A 80 5.615 -0.041 -17.235 1.00 0.00 H new ATOM 0 HA ASP A 80 6.092 -2.546 -16.271 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.019 -0.544 -17.525 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.398 -2.241 -17.309 1.00 0.00 H new ATOM 1205 N ALA A 81 8.205 -0.481 -14.835 1.00 0.00 N ATOM 1206 CA ALA A 81 9.080 -0.398 -13.693 1.00 0.00 C ATOM 1207 C ALA A 81 8.294 -0.075 -12.430 1.00 0.00 C ATOM 1208 O ALA A 81 8.695 -0.442 -11.326 1.00 0.00 O ATOM 1209 CB ALA A 81 10.188 0.619 -13.926 1.00 0.00 C ATOM 0 H ALA A 81 8.249 0.312 -15.475 1.00 0.00 H new ATOM 0 HA ALA A 81 9.548 -1.373 -13.556 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.833 0.661 -13.049 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.776 0.324 -14.795 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.749 1.601 -14.101 1.00 0.00 H new ATOM 1215 N GLU A 82 7.160 0.587 -12.606 1.00 0.00 N ATOM 1216 CA GLU A 82 6.314 0.970 -11.503 1.00 0.00 C ATOM 1217 C GLU A 82 5.712 -0.261 -10.833 1.00 0.00 C ATOM 1218 O GLU A 82 5.912 -0.477 -9.638 1.00 0.00 O ATOM 1219 CB GLU A 82 5.219 1.896 -12.012 1.00 0.00 C ATOM 1220 CG GLU A 82 4.316 2.402 -10.920 1.00 0.00 C ATOM 1221 CD GLU A 82 5.068 3.177 -9.862 1.00 0.00 C ATOM 1222 OE1 GLU A 82 5.812 4.111 -10.226 1.00 0.00 O ATOM 1223 OE2 GLU A 82 4.911 2.857 -8.664 1.00 0.00 O ATOM 0 H GLU A 82 6.807 0.870 -13.520 1.00 0.00 H new ATOM 0 HA GLU A 82 6.910 1.495 -10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.677 2.745 -12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.620 1.367 -12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.546 3.040 -11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.806 1.559 -10.455 1.00 0.00 H new ATOM 1230 N THR A 83 4.990 -1.077 -11.604 1.00 0.00 N ATOM 1231 CA THR A 83 4.398 -2.295 -11.057 1.00 0.00 C ATOM 1232 C THR A 83 5.488 -3.206 -10.500 1.00 0.00 C ATOM 1233 O THR A 83 5.308 -3.835 -9.467 1.00 0.00 O ATOM 1234 CB THR A 83 3.590 -3.089 -12.107 1.00 0.00 C ATOM 1235 OG1 THR A 83 2.930 -2.199 -13.015 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.546 -3.967 -11.430 1.00 0.00 C ATOM 0 H THR A 83 4.804 -0.919 -12.594 1.00 0.00 H new ATOM 0 HA THR A 83 3.716 -1.978 -10.268 1.00 0.00 H new ATOM 0 HB THR A 83 4.290 -3.717 -12.658 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.555 -1.929 -13.720 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.988 -4.518 -12.187 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.041 -4.671 -10.761 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.861 -3.342 -10.857 1.00 0.00 H new ATOM 1244 N LYS A 84 6.624 -3.243 -11.187 1.00 0.00 N ATOM 1245 CA LYS A 84 7.739 -4.104 -10.807 1.00 0.00 C ATOM 1246 C LYS A 84 8.235 -3.795 -9.396 1.00 0.00 C ATOM 1247 O LYS A 84 8.185 -4.651 -8.509 1.00 0.00 O ATOM 1248 CB LYS A 84 8.884 -3.933 -11.803 1.00 0.00 C ATOM 1249 CG LYS A 84 10.118 -4.749 -11.468 1.00 0.00 C ATOM 1250 CD LYS A 84 11.253 -4.430 -12.419 1.00 0.00 C ATOM 1251 CE LYS A 84 12.492 -5.245 -12.105 1.00 0.00 C ATOM 1252 NZ LYS A 84 13.627 -4.876 -12.985 1.00 0.00 N ATOM 0 H LYS A 84 6.798 -2.680 -12.019 1.00 0.00 H new ATOM 0 HA LYS A 84 7.385 -5.135 -10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.533 -4.214 -12.796 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.159 -2.879 -11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.428 -4.543 -10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.881 -5.812 -11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.937 -4.628 -13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.491 -3.368 -12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.774 -5.092 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.270 -6.306 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.457 -5.454 -12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.366 -5.045 -13.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.855 -3.870 -12.854 1.00 0.00 H new ATOM 1266 N VAL A 85 8.707 -2.572 -9.193 1.00 0.00 N ATOM 1267 CA VAL A 85 9.274 -2.176 -7.911 1.00 0.00 C ATOM 1268 C VAL A 85 8.201 -2.174 -6.829 1.00 0.00 C ATOM 1269 O VAL A 85 8.452 -2.576 -5.688 1.00 0.00 O ATOM 1270 CB VAL A 85 9.940 -0.785 -7.992 1.00 0.00 C ATOM 1271 CG1 VAL A 85 10.558 -0.396 -6.657 1.00 0.00 C ATOM 1272 CG2 VAL A 85 10.993 -0.764 -9.090 1.00 0.00 C ATOM 0 H VAL A 85 8.708 -1.837 -9.900 1.00 0.00 H new ATOM 0 HA VAL A 85 10.041 -2.906 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 85 9.168 -0.054 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.020 0.588 -6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.782 -0.367 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.315 -1.129 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.453 0.223 -9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.757 -1.511 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.524 -0.989 -10.048 1.00 0.00 H new ATOM 1282 N PHE A 86 7.002 -1.739 -7.199 1.00 0.00 N ATOM 1283 CA PHE A 86 5.871 -1.736 -6.284 1.00 0.00 C ATOM 1284 C PHE A 86 5.551 -3.150 -5.803 1.00 0.00 C ATOM 1285 O PHE A 86 5.443 -3.382 -4.602 1.00 0.00 O ATOM 1286 CB PHE A 86 4.648 -1.102 -6.951 1.00 0.00 C ATOM 1287 CG PHE A 86 3.340 -1.526 -6.346 1.00 0.00 C ATOM 1288 CD1 PHE A 86 2.931 -1.036 -5.118 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.526 -2.430 -7.005 1.00 0.00 C ATOM 1290 CE1 PHE A 86 1.734 -1.435 -4.560 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.331 -2.833 -6.452 1.00 0.00 C ATOM 1292 CZ PHE A 86 0.933 -2.336 -5.229 1.00 0.00 C ATOM 0 H PHE A 86 6.789 -1.383 -8.131 1.00 0.00 H new ATOM 0 HA PHE A 86 6.140 -1.139 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.732 -0.017 -6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.649 -1.360 -8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.557 -0.332 -4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.831 -2.824 -7.963 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.425 -1.043 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.705 -3.539 -6.977 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.005 -2.652 -4.796 1.00 0.00 H new ATOM 1302 N LEU A 87 5.402 -4.088 -6.736 1.00 0.00 N ATOM 1303 CA LEU A 87 5.117 -5.475 -6.381 1.00 0.00 C ATOM 1304 C LEU A 87 6.200 -6.011 -5.463 1.00 0.00 C ATOM 1305 O LEU A 87 5.918 -6.517 -4.382 1.00 0.00 O ATOM 1306 CB LEU A 87 5.031 -6.367 -7.626 1.00 0.00 C ATOM 1307 CG LEU A 87 3.787 -6.187 -8.500 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.910 -7.015 -9.768 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.528 -6.578 -7.743 1.00 0.00 C ATOM 0 H LEU A 87 5.474 -3.914 -7.738 1.00 0.00 H new ATOM 0 HA LEU A 87 4.153 -5.492 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.912 -6.183 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.078 -7.408 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 87 3.712 -5.133 -8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.019 -6.878 -10.380 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.788 -6.694 -10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.012 -8.068 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.659 -6.441 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.595 -7.623 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.426 -5.951 -6.857 1.00 0.00 H new ATOM 1321 N LYS A 88 7.445 -5.854 -5.892 1.00 0.00 N ATOM 1322 CA LYS A 88 8.592 -6.413 -5.188 1.00 0.00 C ATOM 1323 C LYS A 88 8.800 -5.791 -3.811 1.00 0.00 C ATOM 1324 O LYS A 88 9.554 -6.331 -2.997 1.00 0.00 O ATOM 1325 CB LYS A 88 9.853 -6.289 -6.043 1.00 0.00 C ATOM 1326 CG LYS A 88 9.838 -7.207 -7.250 1.00 0.00 C ATOM 1327 CD LYS A 88 10.027 -8.648 -6.820 1.00 0.00 C ATOM 1328 CE LYS A 88 9.928 -9.610 -7.991 1.00 0.00 C ATOM 1329 NZ LYS A 88 8.535 -9.715 -8.507 1.00 0.00 N ATOM 0 H LYS A 88 7.688 -5.336 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 88 8.381 -7.469 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.959 -5.257 -6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.725 -6.516 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.894 -7.101 -7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.629 -6.921 -7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.000 -8.759 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.274 -8.905 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.588 -9.276 -8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.276 -10.596 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.500 -10.419 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.901 -10.009 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.230 -8.791 -8.873 1.00 0.00 H new ATOM 1343 N ALA A 89 8.159 -4.651 -3.555 1.00 0.00 N ATOM 1344 CA ALA A 89 8.170 -4.063 -2.217 1.00 0.00 C ATOM 1345 C ALA A 89 7.703 -5.094 -1.202 1.00 0.00 C ATOM 1346 O ALA A 89 8.214 -5.161 -0.084 1.00 0.00 O ATOM 1347 CB ALA A 89 7.278 -2.831 -2.147 1.00 0.00 C ATOM 0 H ALA A 89 7.631 -4.121 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 89 9.190 -3.756 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.308 -2.417 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.633 -2.084 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.254 -3.109 -2.395 1.00 0.00 H new ATOM 1353 N GLY A 90 6.730 -5.899 -1.614 1.00 0.00 N ATOM 1354 CA GLY A 90 6.225 -6.958 -0.769 1.00 0.00 C ATOM 1355 C GLY A 90 6.522 -8.326 -1.337 1.00 0.00 C ATOM 1356 O GLY A 90 6.920 -9.228 -0.600 1.00 0.00 O ATOM 0 H GLY A 90 6.280 -5.833 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.669 -6.873 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.148 -6.842 -0.647 1.00 0.00 H new ATOM 1360 N ASP A 91 6.339 -8.469 -2.650 1.00 0.00 N ATOM 1361 CA ASP A 91 6.587 -9.730 -3.349 1.00 0.00 C ATOM 1362 C ASP A 91 8.045 -10.140 -3.182 1.00 0.00 C ATOM 1363 O ASP A 91 8.919 -9.709 -3.937 1.00 0.00 O ATOM 1364 CB ASP A 91 6.256 -9.601 -4.836 1.00 0.00 C ATOM 1365 CG ASP A 91 6.398 -10.922 -5.558 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.927 -11.946 -5.012 1.00 0.00 O ATOM 1367 OD2 ASP A 91 6.969 -10.947 -6.670 1.00 0.00 O ATOM 0 H ASP A 91 6.016 -7.716 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 91 5.943 -10.494 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.237 -9.231 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.916 -8.864 -5.293 1.00 0.00 H new ATOM 1372 N SER A 92 8.298 -10.963 -2.185 1.00 0.00 N ATOM 1373 CA SER A 92 9.642 -11.367 -1.835 1.00 0.00 C ATOM 1374 C SER A 92 9.962 -12.711 -2.464 1.00 0.00 C ATOM 1375 O SER A 92 11.119 -13.023 -2.750 1.00 0.00 O ATOM 1376 CB SER A 92 9.773 -11.452 -0.316 1.00 0.00 C ATOM 1377 OG SER A 92 9.306 -10.260 0.298 1.00 0.00 O ATOM 0 H SER A 92 7.574 -11.371 -1.594 1.00 0.00 H new ATOM 0 HA SER A 92 10.349 -10.628 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.204 -12.305 0.055 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.815 -11.622 -0.045 1.00 0.00 H new ATOM 0 HG SER A 92 8.386 -10.082 0.010 1.00 0.00 H new ATOM 1383 N ASP A 93 8.922 -13.502 -2.686 1.00 0.00 N ATOM 1384 CA ASP A 93 9.083 -14.820 -3.282 1.00 0.00 C ATOM 1385 C ASP A 93 9.162 -14.735 -4.803 1.00 0.00 C ATOM 1386 O ASP A 93 9.431 -15.724 -5.486 1.00 0.00 O ATOM 1387 CB ASP A 93 7.965 -15.778 -2.844 1.00 0.00 C ATOM 1388 CG ASP A 93 6.563 -15.210 -2.971 1.00 0.00 C ATOM 1389 OD1 ASP A 93 6.366 -14.185 -3.660 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.637 -15.789 -2.369 1.00 0.00 O ATOM 0 H ASP A 93 7.958 -13.254 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 93 10.027 -15.225 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.030 -16.688 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.135 -16.064 -1.806 1.00 0.00 H new ATOM 1395 N GLY A 94 8.928 -13.531 -5.318 1.00 0.00 N ATOM 1396 CA GLY A 94 9.121 -13.258 -6.729 1.00 0.00 C ATOM 1397 C GLY A 94 8.161 -14.014 -7.620 1.00 0.00 C ATOM 1398 O GLY A 94 8.564 -14.574 -8.640 1.00 0.00 O ATOM 0 H GLY A 94 8.604 -12.731 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.004 -12.189 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.143 -13.516 -7.006 1.00 0.00 H new ATOM 1402 N ASP A 95 6.890 -14.030 -7.248 1.00 0.00 N ATOM 1403 CA ASP A 95 5.892 -14.749 -8.026 1.00 0.00 C ATOM 1404 C ASP A 95 4.946 -13.798 -8.754 1.00 0.00 C ATOM 1405 O ASP A 95 3.849 -14.188 -9.157 1.00 0.00 O ATOM 1406 CB ASP A 95 5.120 -15.773 -7.171 1.00 0.00 C ATOM 1407 CG ASP A 95 4.463 -15.223 -5.912 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.600 -14.017 -5.594 1.00 0.00 O ATOM 1409 OD2 ASP A 95 3.816 -16.019 -5.200 1.00 0.00 O ATOM 0 H ASP A 95 6.527 -13.558 -6.420 1.00 0.00 H new ATOM 0 HA ASP A 95 6.433 -15.312 -8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.348 -16.228 -7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.807 -16.568 -6.882 1.00 0.00 H new ATOM 1414 N GLY A 96 5.383 -12.551 -8.927 1.00 0.00 N ATOM 1415 CA GLY A 96 4.653 -11.600 -9.759 1.00 0.00 C ATOM 1416 C GLY A 96 3.280 -11.276 -9.216 1.00 0.00 C ATOM 1417 O GLY A 96 2.357 -10.962 -9.967 1.00 0.00 O ATOM 0 H GLY A 96 6.234 -12.179 -8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.231 -10.680 -9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.553 -12.007 -10.765 1.00 0.00 H new ATOM 1421 N LYS A 97 3.149 -11.362 -7.910 1.00 0.00 N ATOM 1422 CA LYS A 97 1.873 -11.189 -7.248 1.00 0.00 C ATOM 1423 C LYS A 97 2.097 -10.490 -5.937 1.00 0.00 C ATOM 1424 O LYS A 97 3.230 -10.389 -5.465 1.00 0.00 O ATOM 1425 CB LYS A 97 1.251 -12.564 -6.983 1.00 0.00 C ATOM 1426 CG LYS A 97 1.495 -13.080 -5.566 1.00 0.00 C ATOM 1427 CD LYS A 97 1.164 -14.556 -5.434 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.235 -14.878 -5.924 1.00 0.00 C ATOM 1429 NZ LYS A 97 -0.566 -16.310 -5.718 1.00 0.00 N ATOM 0 H LYS A 97 3.925 -11.554 -7.276 1.00 0.00 H new ATOM 0 HA LYS A 97 1.206 -10.599 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.177 -12.509 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.656 -13.281 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.538 -12.917 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.890 -12.508 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.889 -15.141 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.259 -14.856 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.959 -14.256 -5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.316 -14.633 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.584 -16.456 -5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.028 -16.891 -6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.318 -16.587 -4.747 1.00 0.00 H new ATOM 1443 N ILE A 98 1.031 -10.025 -5.340 1.00 0.00 N ATOM 1444 CA ILE A 98 1.118 -9.538 -3.999 1.00 0.00 C ATOM 1445 C ILE A 98 0.486 -10.549 -3.068 1.00 0.00 C ATOM 1446 O ILE A 98 -0.737 -10.628 -2.955 1.00 0.00 O ATOM 1447 CB ILE A 98 0.439 -8.163 -3.842 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.240 -7.082 -4.565 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.273 -7.803 -2.379 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.661 -6.951 -4.062 1.00 0.00 C ATOM 0 H ILE A 98 0.103 -9.975 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 98 2.170 -9.404 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.551 -8.225 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.259 -7.306 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.732 -6.125 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.208 -6.829 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.344 -8.555 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.251 -7.766 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.173 -6.166 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.650 -6.697 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.185 -7.896 -4.203 1.00 0.00 H new ATOM 1462 N GLY A 99 1.313 -11.376 -2.451 1.00 0.00 N ATOM 1463 CA GLY A 99 0.823 -12.152 -1.350 1.00 0.00 C ATOM 1464 C GLY A 99 0.363 -11.188 -0.300 1.00 0.00 C ATOM 1465 O GLY A 99 1.026 -10.187 -0.074 1.00 0.00 O ATOM 0 H GLY A 99 2.294 -11.518 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.003 -12.796 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.605 -12.802 -0.959 1.00 0.00 H new ATOM 1469 N VAL A 100 -0.761 -11.429 0.321 1.00 0.00 N ATOM 1470 CA VAL A 100 -1.326 -10.415 1.183 1.00 0.00 C ATOM 1471 C VAL A 100 -0.495 -10.253 2.443 1.00 0.00 C ATOM 1472 O VAL A 100 -0.568 -9.237 3.136 1.00 0.00 O ATOM 1473 CB VAL A 100 -2.778 -10.693 1.555 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -3.627 -9.512 1.135 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -3.298 -11.982 0.930 1.00 0.00 C ATOM 0 H VAL A 100 -1.296 -12.295 0.252 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.309 -9.487 0.612 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.837 -10.828 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.668 -9.701 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.281 -8.615 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.544 -9.369 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.336 -12.136 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.236 -11.911 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.695 -12.822 1.274 1.00 0.00 H new ATOM 1485 N ASP A 101 0.309 -11.258 2.718 1.00 0.00 N ATOM 1486 CA ASP A 101 1.271 -11.190 3.794 1.00 0.00 C ATOM 1487 C ASP A 101 2.503 -10.428 3.313 1.00 0.00 C ATOM 1488 O ASP A 101 3.125 -9.682 4.074 1.00 0.00 O ATOM 1489 CB ASP A 101 1.620 -12.601 4.261 1.00 0.00 C ATOM 1490 CG ASP A 101 2.468 -13.369 3.261 1.00 0.00 C ATOM 1491 OD1 ASP A 101 2.057 -13.486 2.090 1.00 0.00 O ATOM 1492 OD2 ASP A 101 3.550 -13.863 3.643 1.00 0.00 O ATOM 0 H ASP A 101 0.314 -12.139 2.205 1.00 0.00 H new ATOM 0 HA ASP A 101 0.852 -10.656 4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.153 -12.541 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.699 -13.154 4.447 1.00 0.00 H new ATOM 1497 N GLU A 102 2.825 -10.599 2.028 1.00 0.00 N ATOM 1498 CA GLU A 102 3.843 -9.786 1.370 1.00 0.00 C ATOM 1499 C GLU A 102 3.386 -8.324 1.380 1.00 0.00 C ATOM 1500 O GLU A 102 4.177 -7.402 1.586 1.00 0.00 O ATOM 1501 CB GLU A 102 4.072 -10.259 -0.086 1.00 0.00 C ATOM 1502 CG GLU A 102 4.332 -11.759 -0.230 1.00 0.00 C ATOM 1503 CD GLU A 102 5.060 -12.137 -1.521 1.00 0.00 C ATOM 1504 OE1 GLU A 102 4.431 -12.189 -2.615 1.00 0.00 O ATOM 1505 OE2 GLU A 102 6.272 -12.404 -1.454 1.00 0.00 O ATOM 0 H GLU A 102 2.392 -11.297 1.423 1.00 0.00 H new ATOM 0 HA GLU A 102 4.786 -9.888 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.199 -9.995 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.919 -9.714 -0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.921 -12.100 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.380 -12.289 -0.192 1.00 0.00 H new ATOM 1512 N PHE A 103 2.084 -8.147 1.184 1.00 0.00 N ATOM 1513 CA PHE A 103 1.447 -6.837 1.149 1.00 0.00 C ATOM 1514 C PHE A 103 1.585 -6.121 2.487 1.00 0.00 C ATOM 1515 O PHE A 103 2.047 -4.984 2.544 1.00 0.00 O ATOM 1516 CB PHE A 103 -0.031 -7.005 0.798 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.732 -5.729 0.440 1.00 0.00 C ATOM 1518 CD1 PHE A 103 -0.235 -4.903 -0.557 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -1.895 -5.361 1.093 1.00 0.00 C ATOM 1520 CE1 PHE A 103 -0.885 -3.735 -0.897 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -2.550 -4.196 0.756 1.00 0.00 C ATOM 1522 CZ PHE A 103 -2.045 -3.380 -0.240 1.00 0.00 C ATOM 0 H PHE A 103 1.433 -8.920 1.043 1.00 0.00 H new ATOM 0 HA PHE A 103 1.942 -6.230 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.117 -7.699 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.543 -7.461 1.645 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.673 -5.178 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -2.293 -5.992 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -0.487 -3.100 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.459 -3.920 1.270 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.558 -2.467 -0.503 1.00 0.00 H new ATOM 1532 N GLY A 104 1.183 -6.789 3.560 1.00 0.00 N ATOM 1533 CA GLY A 104 1.302 -6.202 4.882 1.00 0.00 C ATOM 1534 C GLY A 104 2.726 -5.775 5.185 1.00 0.00 C ATOM 1535 O GLY A 104 2.955 -4.752 5.833 1.00 0.00 O ATOM 0 H GLY A 104 0.777 -7.725 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.640 -5.339 4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.972 -6.923 5.630 1.00 0.00 H new ATOM 1539 N ALA A 105 3.682 -6.548 4.685 1.00 0.00 N ATOM 1540 CA ALA A 105 5.092 -6.252 4.886 1.00 0.00 C ATOM 1541 C ALA A 105 5.527 -5.010 4.109 1.00 0.00 C ATOM 1542 O ALA A 105 6.223 -4.154 4.651 1.00 0.00 O ATOM 1543 CB ALA A 105 5.939 -7.450 4.485 1.00 0.00 C ATOM 0 H ALA A 105 3.504 -7.388 4.135 1.00 0.00 H new ATOM 0 HA ALA A 105 5.241 -6.044 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.993 -7.218 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.664 -8.311 5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.768 -7.681 3.433 1.00 0.00 H new ATOM 1549 N MET A 106 5.121 -4.908 2.846 1.00 0.00 N ATOM 1550 CA MET A 106 5.538 -3.785 1.997 1.00 0.00 C ATOM 1551 C MET A 106 4.940 -2.472 2.480 1.00 0.00 C ATOM 1552 O MET A 106 5.551 -1.414 2.335 1.00 0.00 O ATOM 1553 CB MET A 106 5.138 -4.015 0.536 1.00 0.00 C ATOM 1554 CG MET A 106 3.639 -4.021 0.308 1.00 0.00 C ATOM 1555 SD MET A 106 3.124 -4.996 -1.121 1.00 0.00 S ATOM 1556 CE MET A 106 3.328 -3.833 -2.460 1.00 0.00 C ATOM 0 H MET A 106 4.508 -5.582 2.386 1.00 0.00 H new ATOM 0 HA MET A 106 6.624 -3.725 2.064 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.587 -3.237 -0.081 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.551 -4.966 0.201 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.147 -4.411 1.199 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.296 -2.994 0.178 1.00 0.00 H new ATOM 0 HE1 MET A 106 3.692 -4.356 -3.344 1.00 0.00 H new ATOM 0 HE2 MET A 106 2.370 -3.365 -2.685 1.00 0.00 H new ATOM 0 HE3 MET A 106 4.047 -3.067 -2.170 1.00 0.00 H new ATOM 1566 N ILE A 107 3.751 -2.546 3.061 1.00 0.00 N ATOM 1567 CA ILE A 107 3.058 -1.355 3.508 1.00 0.00 C ATOM 1568 C ILE A 107 3.689 -0.849 4.788 1.00 0.00 C ATOM 1569 O ILE A 107 3.851 0.353 4.997 1.00 0.00 O ATOM 1570 CB ILE A 107 1.564 -1.629 3.767 1.00 0.00 C ATOM 1571 CG1 ILE A 107 0.893 -2.157 2.506 1.00 0.00 C ATOM 1572 CG2 ILE A 107 0.871 -0.364 4.238 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.539 -2.569 2.732 1.00 0.00 C ATOM 0 H ILE A 107 3.250 -3.418 3.232 1.00 0.00 H new ATOM 0 HA ILE A 107 3.141 -0.609 2.718 1.00 0.00 H new ATOM 0 HB ILE A 107 1.482 -2.386 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.927 -1.389 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.457 -3.011 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.184 -0.572 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.334 -0.018 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.964 0.408 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.964 -2.936 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.576 -3.358 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.114 -1.711 3.079 1.00 0.00 H new ATOM 1585 N LYS A 108 4.067 -1.795 5.626 1.00 0.00 N ATOM 1586 CA LYS A 108 4.640 -1.494 6.917 1.00 0.00 C ATOM 1587 C LYS A 108 6.101 -1.087 6.754 1.00 0.00 C ATOM 1588 O LYS A 108 6.601 -0.252 7.505 1.00 0.00 O ATOM 1589 CB LYS A 108 4.487 -2.728 7.822 1.00 0.00 C ATOM 1590 CG LYS A 108 4.863 -2.517 9.288 1.00 0.00 C ATOM 1591 CD LYS A 108 6.369 -2.450 9.515 1.00 0.00 C ATOM 1592 CE LYS A 108 7.010 -3.827 9.659 1.00 0.00 C ATOM 1593 NZ LYS A 108 7.170 -4.527 8.356 1.00 0.00 N ATOM 0 H LYS A 108 3.984 -2.792 5.428 1.00 0.00 H new ATOM 0 HA LYS A 108 4.120 -0.656 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.452 -3.066 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 108 5.103 -3.532 7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 108 4.406 -1.594 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.447 -3.329 9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 108 6.834 -1.924 8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.570 -1.865 10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 108 7.986 -3.721 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.400 -4.439 10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.813 -5.336 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.243 -4.866 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.566 -3.869 7.655 1.00 0.00 H new ATOM 1607 N ALA A 109 6.757 -1.663 5.745 1.00 0.00 N ATOM 1608 CA ALA A 109 8.186 -1.467 5.525 1.00 0.00 C ATOM 1609 C ALA A 109 8.974 -1.948 6.736 1.00 0.00 C ATOM 1610 O ALA A 109 9.457 -1.105 7.521 1.00 0.00 O ATOM 1611 CB ALA A 109 8.497 -0.007 5.210 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.074 -3.181 6.922 1.00 0.00 O ATOM 0 H ALA A 109 6.312 -2.276 5.061 1.00 0.00 H new ATOM 0 HA ALA A 109 8.488 -2.059 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.569 0.110 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.961 0.293 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.183 0.620 6.045 1.00 0.00 H new