USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 713 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 52 HIS : no HE2:sc= -0.0883 K(o=-0.02,f=-8.4!) USER MOD Set 1.2: A 78 HIS : no HD1:sc= 0.0685 K(o=-0.02,f=-0.99) USER MOD Set 2.1: A 44 SER OG : rot -112:sc= 0.179 USER MOD Set 2.2: A 51 ASN : amide:sc= -0.849 K(o=-0.67,f=-5.7!) USER MOD Set 3.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 82:sc= -0.461! USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= -0.754 (180deg=-2.24!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0435) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 50 SER OG : rot 83:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.17 K(o=-0.17,f=-2!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.369 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 0.685 (180deg=0.417) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.911 K(o=-0.91,f=-6.3!) USER MOD Single : A 79 THR OG1 : rot -36:sc= 0.2 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 -10.775 16.745 -4.224 1.00 0.00 N ATOM 23 CA PHE A 2 -11.000 16.397 -2.824 1.00 0.00 C ATOM 24 C PHE A 2 -10.173 15.177 -2.425 1.00 0.00 C ATOM 25 O PHE A 2 -9.218 15.289 -1.656 1.00 0.00 O ATOM 26 CB PHE A 2 -12.486 16.128 -2.570 1.00 0.00 C ATOM 27 CG PHE A 2 -12.965 16.626 -1.236 1.00 0.00 C ATOM 28 CD1 PHE A 2 -12.487 16.067 -0.062 1.00 0.00 C ATOM 29 CD2 PHE A 2 -13.893 17.652 -1.157 1.00 0.00 C ATOM 30 CE1 PHE A 2 -12.926 16.522 1.167 1.00 0.00 C ATOM 31 CE2 PHE A 2 -14.336 18.111 0.069 1.00 0.00 C ATOM 32 CZ PHE A 2 -13.852 17.545 1.233 1.00 0.00 C ATOM 0 HA PHE A 2 -10.684 17.243 -2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -13.073 16.601 -3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -12.670 15.056 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -11.763 15.267 -0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -14.274 18.098 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.545 16.078 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -15.060 18.911 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 2 -14.197 17.902 2.192 1.00 0.00 H new ATOM 42 N ILE A 3 -10.543 14.014 -2.953 1.00 0.00 N ATOM 43 CA ILE A 3 -9.831 12.778 -2.651 1.00 0.00 C ATOM 44 C ILE A 3 -8.477 12.744 -3.355 1.00 0.00 C ATOM 45 O ILE A 3 -8.405 12.671 -4.582 1.00 0.00 O ATOM 46 CB ILE A 3 -10.654 11.538 -3.064 1.00 0.00 C ATOM 47 CG1 ILE A 3 -11.981 11.502 -2.304 1.00 0.00 C ATOM 48 CG2 ILE A 3 -9.865 10.259 -2.812 1.00 0.00 C ATOM 49 CD1 ILE A 3 -13.068 12.342 -2.940 1.00 0.00 C ATOM 0 H ILE A 3 -11.331 13.902 -3.591 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.676 12.752 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.864 11.607 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.324 10.469 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.815 11.849 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.463 9.398 -3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.943 10.279 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.623 10.184 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.979 12.268 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.746 13.383 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.262 11.981 -3.950 1.00 0.00 H new ATOM 61 N ALA A 4 -7.407 12.799 -2.569 1.00 0.00 N ATOM 62 CA ALA A 4 -6.056 12.776 -3.115 1.00 0.00 C ATOM 63 C ALA A 4 -5.559 11.345 -3.288 1.00 0.00 C ATOM 64 O ALA A 4 -5.031 10.743 -2.353 1.00 0.00 O ATOM 65 CB ALA A 4 -5.110 13.559 -2.216 1.00 0.00 C ATOM 0 H ALA A 4 -7.450 12.860 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.080 13.247 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.104 13.533 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.448 14.593 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.100 13.112 -1.222 1.00 0.00 H new ATOM 71 N THR A 5 -5.729 10.806 -4.491 1.00 0.00 N ATOM 72 CA THR A 5 -5.297 9.445 -4.787 1.00 0.00 C ATOM 73 C THR A 5 -4.287 9.430 -5.931 1.00 0.00 C ATOM 74 O THR A 5 -4.231 10.360 -6.735 1.00 0.00 O ATOM 75 CB THR A 5 -6.502 8.573 -5.146 1.00 0.00 C ATOM 76 OG1 THR A 5 -7.512 9.345 -5.770 1.00 0.00 O ATOM 77 CG2 THR A 5 -7.123 7.889 -3.947 1.00 0.00 C ATOM 0 H THR A 5 -6.163 11.291 -5.276 1.00 0.00 H new ATOM 0 HA THR A 5 -4.816 9.042 -3.896 1.00 0.00 H new ATOM 0 HB THR A 5 -6.115 7.809 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.273 8.769 -5.993 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.972 7.287 -4.271 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.383 7.246 -3.471 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.462 8.641 -3.235 1.00 0.00 H new ATOM 85 N LEU A 6 -3.494 8.366 -5.995 1.00 0.00 N ATOM 86 CA LEU A 6 -2.486 8.225 -7.040 1.00 0.00 C ATOM 87 C LEU A 6 -2.247 6.754 -7.364 1.00 0.00 C ATOM 88 O LEU A 6 -2.276 5.901 -6.477 1.00 0.00 O ATOM 89 CB LEU A 6 -1.175 8.885 -6.607 1.00 0.00 C ATOM 90 CG LEU A 6 -0.314 9.426 -7.750 1.00 0.00 C ATOM 91 CD1 LEU A 6 -1.015 10.583 -8.447 1.00 0.00 C ATOM 92 CD2 LEU A 6 1.048 9.861 -7.230 1.00 0.00 C ATOM 0 H LEU A 6 -3.530 7.588 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.854 8.723 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.406 9.705 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.589 8.159 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.166 8.628 -8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.387 10.954 -9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.966 10.240 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.194 11.385 -7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.648 10.243 -8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.919 10.644 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.554 9.008 -6.778 1.00 0.00 H new ATOM 104 N LYS A 7 -2.014 6.463 -8.639 1.00 0.00 N ATOM 105 CA LYS A 7 -1.774 5.094 -9.078 1.00 0.00 C ATOM 106 C LYS A 7 -0.336 4.915 -9.551 1.00 0.00 C ATOM 107 O LYS A 7 -0.074 4.812 -10.750 1.00 0.00 O ATOM 108 CB LYS A 7 -2.745 4.720 -10.199 1.00 0.00 C ATOM 109 CG LYS A 7 -4.177 4.526 -9.725 1.00 0.00 C ATOM 110 CD LYS A 7 -5.178 4.930 -10.795 1.00 0.00 C ATOM 111 CE LYS A 7 -6.555 5.185 -10.203 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.202 6.387 -10.797 1.00 0.00 N ATOM 0 H LYS A 7 -1.986 7.157 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.939 4.432 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.726 5.500 -10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.401 3.802 -10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.333 3.482 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.347 5.117 -8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.827 5.829 -11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.244 4.144 -11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.188 4.313 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.468 5.316 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.138 6.526 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.611 7.224 -10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.309 6.252 -11.823 1.00 0.00 H new ATOM 126 N GLY A 8 0.594 4.874 -8.602 1.00 0.00 N ATOM 127 CA GLY A 8 1.994 4.701 -8.945 1.00 0.00 C ATOM 128 C GLY A 8 2.282 3.322 -9.499 1.00 0.00 C ATOM 129 O GLY A 8 1.597 2.356 -9.163 1.00 0.00 O ATOM 0 H GLY A 8 0.404 4.957 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.282 5.453 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.607 4.870 -8.059 1.00 0.00 H new ATOM 133 N ILE A 9 3.295 3.226 -10.354 1.00 0.00 N ATOM 134 CA ILE A 9 3.664 1.951 -10.957 1.00 0.00 C ATOM 135 C ILE A 9 5.169 1.717 -10.882 1.00 0.00 C ATOM 136 O ILE A 9 5.933 2.255 -11.685 1.00 0.00 O ATOM 137 CB ILE A 9 3.213 1.873 -12.429 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.739 2.259 -12.557 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.449 0.476 -12.983 1.00 0.00 C ATOM 140 CD1 ILE A 9 1.355 2.736 -13.942 1.00 0.00 C ATOM 0 H ILE A 9 3.874 4.014 -10.644 1.00 0.00 H new ATOM 0 HA ILE A 9 3.153 1.175 -10.387 1.00 0.00 H new ATOM 0 HB ILE A 9 3.805 2.579 -13.011 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.123 1.399 -12.294 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.514 3.045 -11.836 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.125 0.438 -14.023 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.511 0.236 -12.924 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.880 -0.248 -12.399 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.296 2.992 -13.958 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.945 3.615 -14.201 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.548 1.944 -14.666 1.00 0.00 H new ATOM 152 N PHE A 10 5.589 0.906 -9.915 1.00 0.00 N ATOM 153 CA PHE A 10 7.003 0.590 -9.736 1.00 0.00 C ATOM 154 C PHE A 10 7.320 -0.760 -10.380 1.00 0.00 C ATOM 155 O PHE A 10 6.994 -1.811 -9.829 1.00 0.00 O ATOM 156 CB PHE A 10 7.371 0.567 -8.244 1.00 0.00 C ATOM 157 CG PHE A 10 6.548 1.486 -7.376 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.999 2.654 -7.884 1.00 0.00 C ATOM 159 CD2 PHE A 10 6.320 1.167 -6.048 1.00 0.00 C ATOM 160 CE1 PHE A 10 5.236 3.483 -7.083 1.00 0.00 C ATOM 161 CE2 PHE A 10 5.562 1.994 -5.241 1.00 0.00 C ATOM 162 CZ PHE A 10 5.017 3.153 -5.760 1.00 0.00 C ATOM 0 H PHE A 10 4.969 0.455 -9.242 1.00 0.00 H new ATOM 0 HA PHE A 10 7.596 1.365 -10.221 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.264 -0.452 -7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.422 0.836 -8.139 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.170 2.919 -8.917 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.740 0.260 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.811 4.388 -7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.396 1.735 -4.206 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.421 3.799 -5.132 1.00 0.00 H new ATOM 172 N THR A 11 7.937 -0.722 -11.559 1.00 0.00 N ATOM 173 CA THR A 11 8.272 -1.945 -12.288 1.00 0.00 C ATOM 174 C THR A 11 9.739 -2.330 -12.114 1.00 0.00 C ATOM 175 O THR A 11 10.472 -1.688 -11.369 1.00 0.00 O ATOM 176 CB THR A 11 7.909 -1.794 -13.773 1.00 0.00 C ATOM 177 OG1 THR A 11 8.511 -2.811 -14.554 1.00 0.00 O ATOM 178 CG2 THR A 11 8.308 -0.460 -14.368 1.00 0.00 C ATOM 0 H THR A 11 8.215 0.139 -12.030 1.00 0.00 H new ATOM 0 HA THR A 11 7.681 -2.758 -11.866 1.00 0.00 H new ATOM 0 HB THR A 11 6.822 -1.870 -13.799 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.970 -3.627 -14.502 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.019 -0.429 -15.418 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.806 0.343 -13.829 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.387 -0.333 -14.285 1.00 0.00 H new ATOM 186 N LEU A 12 10.129 -3.412 -12.790 1.00 0.00 N ATOM 187 CA LEU A 12 11.483 -3.975 -12.724 1.00 0.00 C ATOM 188 C LEU A 12 11.989 -4.080 -11.284 1.00 0.00 C ATOM 189 O LEU A 12 11.568 -3.347 -10.395 1.00 0.00 O ATOM 190 CB LEU A 12 12.513 -3.255 -13.632 1.00 0.00 C ATOM 191 CG LEU A 12 12.480 -1.721 -13.729 1.00 0.00 C ATOM 192 CD1 LEU A 12 11.167 -1.225 -14.307 1.00 0.00 C ATOM 193 CD2 LEU A 12 12.774 -1.074 -12.384 1.00 0.00 C ATOM 0 H LEU A 12 9.506 -3.931 -13.408 1.00 0.00 H new ATOM 0 HA LEU A 12 11.389 -4.984 -13.126 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.508 -3.541 -13.292 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.395 -3.651 -14.641 1.00 0.00 H new ATOM 0 HG LEU A 12 13.270 -1.422 -14.418 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.181 -0.136 -14.360 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.032 -1.635 -15.308 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.344 -1.547 -13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.743 0.011 -12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.026 -1.391 -11.657 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.764 -1.378 -12.043 1.00 0.00 H new ATOM 205 N LYS A 13 12.878 -5.040 -11.069 1.00 0.00 N ATOM 206 CA LYS A 13 13.449 -5.309 -9.746 1.00 0.00 C ATOM 207 C LYS A 13 13.866 -4.028 -9.018 1.00 0.00 C ATOM 208 O LYS A 13 13.909 -3.995 -7.789 1.00 0.00 O ATOM 209 CB LYS A 13 14.641 -6.275 -9.878 1.00 0.00 C ATOM 210 CG LYS A 13 15.978 -5.713 -9.410 1.00 0.00 C ATOM 211 CD LYS A 13 16.070 -5.680 -7.892 1.00 0.00 C ATOM 212 CE LYS A 13 17.360 -6.311 -7.393 1.00 0.00 C ATOM 213 NZ LYS A 13 17.632 -7.619 -8.053 1.00 0.00 N ATOM 0 H LYS A 13 13.227 -5.657 -11.803 1.00 0.00 H new ATOM 0 HA LYS A 13 12.672 -5.774 -9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.423 -7.178 -9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.734 -6.573 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.789 -6.320 -9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.108 -4.706 -9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.012 -4.648 -7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.218 -6.208 -7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.192 -5.631 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.300 -6.455 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.218 -8.208 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.733 -8.105 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.136 -7.458 -8.949 1.00 0.00 H new ATOM 227 N ASP A 14 14.183 -2.982 -9.773 1.00 0.00 N ATOM 228 CA ASP A 14 14.602 -1.715 -9.177 1.00 0.00 C ATOM 229 C ASP A 14 13.401 -0.882 -8.727 1.00 0.00 C ATOM 230 O ASP A 14 13.556 0.047 -7.938 1.00 0.00 O ATOM 231 CB ASP A 14 15.449 -0.913 -10.170 1.00 0.00 C ATOM 232 CG ASP A 14 16.453 -1.777 -10.909 1.00 0.00 C ATOM 233 OD1 ASP A 14 16.023 -2.671 -11.667 1.00 0.00 O ATOM 234 OD2 ASP A 14 17.670 -1.555 -10.733 1.00 0.00 O ATOM 0 H ASP A 14 14.159 -2.984 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 14 15.202 -1.948 -8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.793 -0.426 -10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.978 -0.123 -9.636 1.00 0.00 H new ATOM 239 N LEU A 15 12.214 -1.233 -9.241 1.00 0.00 N ATOM 240 CA LEU A 15 10.947 -0.547 -8.929 1.00 0.00 C ATOM 241 C LEU A 15 11.071 0.464 -7.783 1.00 0.00 C ATOM 242 O LEU A 15 10.628 0.210 -6.665 1.00 0.00 O ATOM 243 CB LEU A 15 9.860 -1.591 -8.609 1.00 0.00 C ATOM 244 CG LEU A 15 10.040 -2.431 -7.328 1.00 0.00 C ATOM 245 CD1 LEU A 15 11.499 -2.519 -6.901 1.00 0.00 C ATOM 246 CD2 LEU A 15 9.179 -1.878 -6.199 1.00 0.00 C ATOM 0 H LEU A 15 12.103 -2.010 -9.893 1.00 0.00 H new ATOM 0 HA LEU A 15 10.668 0.027 -9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.904 -1.072 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.791 -2.276 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 15 9.710 -3.445 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.577 -3.120 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.083 -2.983 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.882 -1.517 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.320 -2.484 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.470 -0.849 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.130 -1.905 -6.494 1.00 0.00 H new ATOM 258 N PRO A 16 11.704 1.622 -8.041 1.00 0.00 N ATOM 259 CA PRO A 16 11.919 2.652 -7.045 1.00 0.00 C ATOM 260 C PRO A 16 10.974 3.838 -7.161 1.00 0.00 C ATOM 261 O PRO A 16 11.411 4.989 -7.135 1.00 0.00 O ATOM 262 CB PRO A 16 13.334 3.085 -7.379 1.00 0.00 C ATOM 263 CG PRO A 16 13.446 2.923 -8.872 1.00 0.00 C ATOM 264 CD PRO A 16 12.310 2.021 -9.314 1.00 0.00 C ATOM 0 HA PRO A 16 11.751 2.287 -6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.512 4.118 -7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.069 2.470 -6.859 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.384 3.891 -9.369 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.409 2.488 -9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.601 2.546 -9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.671 1.161 -9.878 1.00 0.00 H new ATOM 272 N GLU A 17 9.686 3.548 -7.274 1.00 0.00 N ATOM 273 CA GLU A 17 8.651 4.585 -7.383 1.00 0.00 C ATOM 274 C GLU A 17 9.212 5.893 -7.962 1.00 0.00 C ATOM 275 O GLU A 17 9.277 6.063 -9.180 1.00 0.00 O ATOM 276 CB GLU A 17 8.008 4.837 -6.013 1.00 0.00 C ATOM 277 CG GLU A 17 8.973 4.708 -4.842 1.00 0.00 C ATOM 278 CD GLU A 17 8.645 5.662 -3.713 1.00 0.00 C ATOM 279 OE1 GLU A 17 7.444 5.913 -3.475 1.00 0.00 O ATOM 280 OE2 GLU A 17 9.588 6.162 -3.065 1.00 0.00 O ATOM 0 H GLU A 17 9.323 2.595 -7.293 1.00 0.00 H new ATOM 0 HA GLU A 17 7.890 4.223 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.575 5.837 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.187 4.133 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.950 3.685 -4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.989 4.897 -5.190 1.00 0.00 H new ATOM 287 N GLU A 18 9.625 6.806 -7.083 1.00 0.00 N ATOM 288 CA GLU A 18 10.187 8.083 -7.505 1.00 0.00 C ATOM 289 C GLU A 18 11.071 8.680 -6.409 1.00 0.00 C ATOM 290 O GLU A 18 11.369 9.875 -6.422 1.00 0.00 O ATOM 291 CB GLU A 18 9.068 9.063 -7.862 1.00 0.00 C ATOM 292 CG GLU A 18 9.570 10.382 -8.425 1.00 0.00 C ATOM 293 CD GLU A 18 8.586 11.020 -9.386 1.00 0.00 C ATOM 294 OE1 GLU A 18 7.364 10.844 -9.186 1.00 0.00 O ATOM 295 OE2 GLU A 18 9.035 11.693 -10.336 1.00 0.00 O ATOM 0 H GLU A 18 9.579 6.682 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 18 10.802 7.906 -8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.406 8.595 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.472 9.261 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.768 11.071 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.517 10.216 -8.938 1.00 0.00 H new ATOM 302 N PHE A 19 11.489 7.842 -5.459 1.00 0.00 N ATOM 303 CA PHE A 19 12.336 8.290 -4.359 1.00 0.00 C ATOM 304 C PHE A 19 12.853 7.103 -3.556 1.00 0.00 C ATOM 305 O PHE A 19 12.329 6.782 -2.490 1.00 0.00 O ATOM 306 CB PHE A 19 11.561 9.240 -3.448 1.00 0.00 C ATOM 307 CG PHE A 19 12.301 9.627 -2.196 1.00 0.00 C ATOM 308 CD1 PHE A 19 13.646 9.954 -2.243 1.00 0.00 C ATOM 309 CD2 PHE A 19 11.647 9.661 -0.975 1.00 0.00 C ATOM 310 CE1 PHE A 19 14.327 10.309 -1.092 1.00 0.00 C ATOM 311 CE2 PHE A 19 12.322 10.015 0.178 1.00 0.00 C ATOM 312 CZ PHE A 19 13.664 10.339 0.119 1.00 0.00 C ATOM 0 H PHE A 19 11.253 6.850 -5.432 1.00 0.00 H new ATOM 0 HA PHE A 19 13.190 8.820 -4.781 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.316 10.143 -4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 19 10.617 8.771 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.169 9.932 -3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.598 9.408 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.376 10.562 -1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.801 10.038 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.194 10.615 1.019 1.00 0.00 H new ATOM 322 N ARG A 20 13.884 6.459 -4.078 1.00 0.00 N ATOM 323 CA ARG A 20 14.485 5.302 -3.421 1.00 0.00 C ATOM 324 C ARG A 20 13.479 4.153 -3.309 1.00 0.00 C ATOM 325 O ARG A 20 12.311 4.372 -2.988 1.00 0.00 O ATOM 326 CB ARG A 20 14.996 5.686 -2.030 1.00 0.00 C ATOM 327 CG ARG A 20 15.631 4.531 -1.271 1.00 0.00 C ATOM 328 CD ARG A 20 17.137 4.492 -1.473 1.00 0.00 C ATOM 329 NE ARG A 20 17.837 4.029 -0.278 1.00 0.00 N ATOM 330 CZ ARG A 20 17.760 2.785 0.191 1.00 0.00 C ATOM 331 NH1 ARG A 20 17.017 1.878 -0.431 1.00 0.00 N ATOM 332 NH2 ARG A 20 18.429 2.448 1.285 1.00 0.00 N ATOM 0 H ARG A 20 14.327 6.717 -4.960 1.00 0.00 H new ATOM 0 HA ARG A 20 15.325 4.967 -4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.727 6.489 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.166 6.081 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.408 4.626 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.194 3.590 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.374 3.835 -2.310 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.493 5.487 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 20 18.419 4.697 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.501 2.132 -1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.962 0.927 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.002 3.141 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.371 1.496 1.645 1.00 0.00 H new ATOM 346 N PRO A 21 13.918 2.908 -3.575 1.00 0.00 N ATOM 347 CA PRO A 21 13.044 1.731 -3.501 1.00 0.00 C ATOM 348 C PRO A 21 12.469 1.518 -2.105 1.00 0.00 C ATOM 349 O PRO A 21 13.209 1.341 -1.138 1.00 0.00 O ATOM 350 CB PRO A 21 13.964 0.563 -3.877 1.00 0.00 C ATOM 351 CG PRO A 21 15.127 1.184 -4.572 1.00 0.00 C ATOM 352 CD PRO A 21 15.291 2.548 -3.968 1.00 0.00 C ATOM 0 HA PRO A 21 12.179 1.836 -4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.283 0.013 -2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.452 -0.147 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.028 0.586 -4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.949 1.252 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.964 2.531 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.705 3.258 -4.684 1.00 0.00 H new ATOM 360 N PHE A 22 11.143 1.528 -2.009 1.00 0.00 N ATOM 361 CA PHE A 22 10.467 1.327 -0.732 1.00 0.00 C ATOM 362 C PHE A 22 9.968 -0.108 -0.608 1.00 0.00 C ATOM 363 O PHE A 22 9.865 -0.648 0.494 1.00 0.00 O ATOM 364 CB PHE A 22 9.295 2.299 -0.587 1.00 0.00 C ATOM 365 CG PHE A 22 9.685 3.637 -0.025 1.00 0.00 C ATOM 366 CD1 PHE A 22 10.548 3.726 1.056 1.00 0.00 C ATOM 367 CD2 PHE A 22 9.187 4.805 -0.579 1.00 0.00 C ATOM 368 CE1 PHE A 22 10.907 4.957 1.574 1.00 0.00 C ATOM 369 CE2 PHE A 22 9.542 6.038 -0.065 1.00 0.00 C ATOM 370 CZ PHE A 22 10.404 6.114 1.012 1.00 0.00 C ATOM 0 H PHE A 22 10.516 1.673 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 22 11.185 1.519 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.833 2.446 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.540 1.850 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.944 2.824 1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.514 4.752 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.580 5.014 2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.146 6.941 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.684 7.077 1.414 1.00 0.00 H new ATOM 380 N VAL A 23 9.659 -0.721 -1.747 1.00 0.00 N ATOM 381 CA VAL A 23 9.171 -2.096 -1.771 1.00 0.00 C ATOM 382 C VAL A 23 10.316 -3.089 -1.954 1.00 0.00 C ATOM 383 O VAL A 23 10.139 -4.292 -1.759 1.00 0.00 O ATOM 384 CB VAL A 23 8.142 -2.308 -2.898 1.00 0.00 C ATOM 385 CG1 VAL A 23 7.378 -3.607 -2.687 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.185 -1.128 -2.985 1.00 0.00 C ATOM 0 H VAL A 23 9.738 -0.287 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 23 8.691 -2.274 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 23 8.680 -2.377 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.656 -3.739 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.077 -4.444 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.853 -3.570 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.468 -1.300 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.653 -1.020 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.748 -0.217 -3.190 1.00 0.00 H new ATOM 396 N ASP A 24 11.490 -2.584 -2.331 1.00 0.00 N ATOM 397 CA ASP A 24 12.659 -3.433 -2.538 1.00 0.00 C ATOM 398 C ASP A 24 12.850 -4.397 -1.370 1.00 0.00 C ATOM 399 O ASP A 24 13.326 -5.518 -1.548 1.00 0.00 O ATOM 400 CB ASP A 24 13.913 -2.574 -2.716 1.00 0.00 C ATOM 401 CG ASP A 24 15.149 -3.404 -3.003 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.385 -3.726 -4.186 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.881 -3.731 -2.045 1.00 0.00 O ATOM 0 H ASP A 24 11.655 -1.592 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 24 12.495 -4.018 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.754 -1.870 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.077 -1.984 -1.814 1.00 0.00 H new ATOM 408 N TYR A 25 12.471 -3.951 -0.176 1.00 0.00 N ATOM 409 CA TYR A 25 12.596 -4.778 1.019 1.00 0.00 C ATOM 410 C TYR A 25 11.779 -6.057 0.875 1.00 0.00 C ATOM 411 O TYR A 25 12.192 -7.124 1.331 1.00 0.00 O ATOM 412 CB TYR A 25 12.155 -3.993 2.261 1.00 0.00 C ATOM 413 CG TYR A 25 10.654 -3.915 2.447 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.849 -3.270 1.515 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.044 -4.486 3.556 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.480 -3.198 1.684 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.675 -4.419 3.732 1.00 0.00 C ATOM 418 CZ TYR A 25 7.897 -3.773 2.794 1.00 0.00 C ATOM 419 OH TYR A 25 6.534 -3.702 2.966 1.00 0.00 O ATOM 0 H TYR A 25 12.076 -3.025 -0.011 1.00 0.00 H new ATOM 0 HA TYR A 25 13.644 -5.054 1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.596 -4.455 3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.555 -2.981 2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.301 -2.818 0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.650 -4.991 4.294 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.869 -2.694 0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.217 -4.870 4.600 1.00 0.00 H new ATOM 0 HH TYR A 25 6.285 -4.158 3.797 1.00 0.00 H new ATOM 429 N LYS A 26 10.624 -5.946 0.227 1.00 0.00 N ATOM 430 CA LYS A 26 9.759 -7.098 0.013 1.00 0.00 C ATOM 431 C LYS A 26 10.412 -8.075 -0.954 1.00 0.00 C ATOM 432 O LYS A 26 10.265 -9.291 -0.822 1.00 0.00 O ATOM 433 CB LYS A 26 8.399 -6.652 -0.528 1.00 0.00 C ATOM 434 CG LYS A 26 7.290 -7.665 -0.297 1.00 0.00 C ATOM 435 CD LYS A 26 6.010 -7.262 -1.013 1.00 0.00 C ATOM 436 CE LYS A 26 5.040 -6.565 -0.071 1.00 0.00 C ATOM 437 NZ LYS A 26 5.044 -5.088 -0.264 1.00 0.00 N ATOM 0 H LYS A 26 10.267 -5.072 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 26 9.607 -7.598 0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.122 -5.709 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.488 -6.461 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.612 -8.645 -0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.097 -7.757 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.250 -6.600 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.535 -8.147 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.034 -6.950 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.305 -6.797 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.370 -4.650 0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.998 -4.717 -0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.766 -4.865 -1.241 1.00 0.00 H new ATOM 451 N ALA A 27 11.145 -7.534 -1.921 1.00 0.00 N ATOM 452 CA ALA A 27 11.835 -8.354 -2.905 1.00 0.00 C ATOM 453 C ALA A 27 12.983 -9.117 -2.256 1.00 0.00 C ATOM 454 O ALA A 27 13.341 -10.211 -2.691 1.00 0.00 O ATOM 455 CB ALA A 27 12.352 -7.490 -4.046 1.00 0.00 C ATOM 0 H ALA A 27 11.276 -6.530 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 27 11.126 -9.077 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.866 -8.118 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.515 -6.986 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.046 -6.747 -3.654 1.00 0.00 H new ATOM 461 N GLY A 28 13.555 -8.531 -1.207 1.00 0.00 N ATOM 462 CA GLY A 28 14.655 -9.168 -0.512 1.00 0.00 C ATOM 463 C GLY A 28 14.285 -9.598 0.897 1.00 0.00 C ATOM 464 O GLY A 28 15.163 -9.851 1.722 1.00 0.00 O ATOM 0 H GLY A 28 13.275 -7.627 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.983 -10.039 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.499 -8.480 -0.468 1.00 0.00 H new ATOM 468 N LEU A 29 12.986 -9.682 1.175 1.00 0.00 N ATOM 469 CA LEU A 29 12.514 -10.087 2.496 1.00 0.00 C ATOM 470 C LEU A 29 13.112 -11.429 2.906 1.00 0.00 C ATOM 471 O LEU A 29 13.220 -11.738 4.093 1.00 0.00 O ATOM 472 CB LEU A 29 10.985 -10.160 2.517 1.00 0.00 C ATOM 473 CG LEU A 29 10.292 -9.019 3.264 1.00 0.00 C ATOM 474 CD1 LEU A 29 8.783 -9.196 3.229 1.00 0.00 C ATOM 475 CD2 LEU A 29 10.789 -8.946 4.701 1.00 0.00 C ATOM 0 H LEU A 29 12.244 -9.476 0.506 1.00 0.00 H new ATOM 0 HA LEU A 29 12.841 -9.336 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.623 -10.173 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.688 -11.105 2.972 1.00 0.00 H new ATOM 0 HG LEU A 29 10.538 -8.081 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.308 -8.375 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.441 -9.199 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.516 -10.141 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.286 -8.129 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.572 -9.886 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.865 -8.771 4.705 1.00 0.00 H new ATOM 487 N GLU A 30 13.503 -12.217 1.913 1.00 0.00 N ATOM 488 CA GLU A 30 14.098 -13.525 2.157 1.00 0.00 C ATOM 489 C GLU A 30 14.495 -14.194 0.847 1.00 0.00 C ATOM 490 O GLU A 30 14.316 -15.398 0.668 1.00 0.00 O ATOM 491 CB GLU A 30 13.128 -14.423 2.930 1.00 0.00 C ATOM 492 CG GLU A 30 13.757 -15.716 3.424 1.00 0.00 C ATOM 493 CD GLU A 30 12.952 -16.370 4.530 1.00 0.00 C ATOM 494 OE1 GLU A 30 12.043 -17.165 4.212 1.00 0.00 O ATOM 495 OE2 GLU A 30 13.231 -16.087 5.714 1.00 0.00 O ATOM 0 H GLU A 30 13.418 -11.972 0.927 1.00 0.00 H new ATOM 0 HA GLU A 30 14.996 -13.378 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.736 -13.870 3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.280 -14.663 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.853 -16.411 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.765 -15.511 3.786 1.00 0.00 H new ATOM 502 N LYS A 31 15.036 -13.398 -0.067 1.00 0.00 N ATOM 503 CA LYS A 31 15.465 -13.900 -1.367 1.00 0.00 C ATOM 504 C LYS A 31 14.315 -14.597 -2.083 1.00 0.00 C ATOM 505 O LYS A 31 14.489 -15.659 -2.680 1.00 0.00 O ATOM 506 CB LYS A 31 16.645 -14.860 -1.206 1.00 0.00 C ATOM 507 CG LYS A 31 17.745 -14.325 -0.304 1.00 0.00 C ATOM 508 CD LYS A 31 19.039 -15.105 -0.480 1.00 0.00 C ATOM 509 CE LYS A 31 19.249 -16.102 0.649 1.00 0.00 C ATOM 510 NZ LYS A 31 20.273 -15.631 1.622 1.00 0.00 N ATOM 0 H LYS A 31 15.189 -12.399 0.069 1.00 0.00 H new ATOM 0 HA LYS A 31 15.783 -13.050 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.282 -15.805 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.065 -15.075 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.920 -13.273 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.424 -14.381 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.020 -15.633 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 31 19.880 -14.413 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 31 18.305 -16.268 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 31 19.557 -17.061 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.387 -16.338 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.181 -15.497 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.967 -14.728 2.038 1.00 0.00 H new ATOM 524 N LYS A 32 13.140 -13.987 -2.014 1.00 0.00 N ATOM 525 CA LYS A 32 11.950 -14.541 -2.650 1.00 0.00 C ATOM 526 C LYS A 32 12.091 -14.530 -4.170 1.00 0.00 C ATOM 527 O LYS A 32 11.758 -15.508 -4.839 1.00 0.00 O ATOM 528 CB LYS A 32 10.705 -13.754 -2.234 1.00 0.00 C ATOM 529 CG LYS A 32 10.812 -12.260 -2.488 1.00 0.00 C ATOM 530 CD LYS A 32 10.111 -11.863 -3.778 1.00 0.00 C ATOM 531 CE LYS A 32 8.730 -11.285 -3.506 1.00 0.00 C ATOM 532 NZ LYS A 32 7.688 -12.346 -3.415 1.00 0.00 N ATOM 0 H LYS A 32 12.984 -13.107 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 32 11.841 -15.574 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.842 -14.144 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.519 -13.921 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.374 -11.715 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.862 -11.973 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.715 -11.129 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.021 -12.734 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.752 -10.717 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.467 -10.586 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.763 -11.909 -3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.649 -12.872 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.924 -12.999 -2.641 1.00 0.00 H new ATOM 546 N LYS A 33 12.586 -13.421 -4.708 1.00 0.00 N ATOM 547 CA LYS A 33 12.771 -13.285 -6.149 1.00 0.00 C ATOM 548 C LYS A 33 13.396 -11.935 -6.491 1.00 0.00 C ATOM 549 O LYS A 33 12.728 -10.903 -6.449 1.00 0.00 O ATOM 550 CB LYS A 33 11.432 -13.443 -6.876 1.00 0.00 C ATOM 551 CG LYS A 33 11.337 -14.714 -7.705 1.00 0.00 C ATOM 552 CD LYS A 33 12.413 -14.763 -8.778 1.00 0.00 C ATOM 553 CE LYS A 33 12.876 -16.186 -9.039 1.00 0.00 C ATOM 554 NZ LYS A 33 11.755 -17.066 -9.473 1.00 0.00 N ATOM 0 H LYS A 33 12.867 -12.602 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 33 13.448 -14.073 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.626 -13.437 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.277 -12.582 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.432 -15.582 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.354 -14.772 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.028 -14.330 -9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.263 -14.154 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.651 -16.180 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.327 -16.593 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.131 -17.994 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.085 -17.188 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.266 -16.632 -10.281 1.00 0.00 H new ATOM 568 N LEU A 34 14.681 -11.952 -6.829 1.00 0.00 N ATOM 569 CA LEU A 34 15.396 -10.730 -7.177 1.00 0.00 C ATOM 570 C LEU A 34 15.695 -10.682 -8.673 1.00 0.00 C ATOM 571 O LEU A 34 16.839 -10.480 -9.083 1.00 0.00 O ATOM 572 CB LEU A 34 16.697 -10.632 -6.378 1.00 0.00 C ATOM 573 CG LEU A 34 16.545 -10.821 -4.865 1.00 0.00 C ATOM 574 CD1 LEU A 34 17.430 -11.955 -4.373 1.00 0.00 C ATOM 575 CD2 LEU A 34 16.874 -9.530 -4.129 1.00 0.00 C ATOM 0 H LEU A 34 15.248 -12.799 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 34 14.760 -9.881 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.394 -11.381 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.147 -9.657 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 34 15.507 -11.082 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.307 -12.072 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.147 -12.881 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.472 -11.726 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.760 -9.684 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.901 -9.239 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.196 -8.742 -4.456 1.00 0.00 H new ATOM 587 N SER A 35 14.658 -10.867 -9.484 1.00 0.00 N ATOM 588 CA SER A 35 14.810 -10.844 -10.935 1.00 0.00 C ATOM 589 C SER A 35 14.379 -9.497 -11.508 1.00 0.00 C ATOM 590 O SER A 35 13.770 -8.683 -10.815 1.00 0.00 O ATOM 591 CB SER A 35 13.988 -11.966 -11.572 1.00 0.00 C ATOM 592 OG SER A 35 14.627 -12.472 -12.732 1.00 0.00 O ATOM 0 H SER A 35 13.705 -11.034 -9.162 1.00 0.00 H new ATOM 0 HA SER A 35 15.864 -10.996 -11.166 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.846 -12.771 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.998 -11.593 -11.832 1.00 0.00 H new ATOM 0 HG SER A 35 14.082 -13.189 -13.119 1.00 0.00 H new ATOM 598 N ASP A 36 14.698 -9.271 -12.779 1.00 0.00 N ATOM 599 CA ASP A 36 14.343 -8.023 -13.446 1.00 0.00 C ATOM 600 C ASP A 36 12.895 -8.044 -13.939 1.00 0.00 C ATOM 601 O ASP A 36 12.425 -7.079 -14.540 1.00 0.00 O ATOM 602 CB ASP A 36 15.289 -7.765 -14.621 1.00 0.00 C ATOM 603 CG ASP A 36 16.414 -6.814 -14.259 1.00 0.00 C ATOM 604 OD1 ASP A 36 16.184 -5.587 -14.287 1.00 0.00 O ATOM 605 OD2 ASP A 36 17.523 -7.297 -13.950 1.00 0.00 O ATOM 0 H ASP A 36 15.201 -9.935 -13.367 1.00 0.00 H new ATOM 0 HA ASP A 36 14.441 -7.217 -12.718 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.711 -8.711 -14.959 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.723 -7.353 -15.456 1.00 0.00 H new ATOM 610 N ASP A 37 12.192 -9.146 -13.686 1.00 0.00 N ATOM 611 CA ASP A 37 10.802 -9.277 -14.110 1.00 0.00 C ATOM 612 C ASP A 37 9.849 -8.999 -12.951 1.00 0.00 C ATOM 613 O ASP A 37 8.715 -9.479 -12.941 1.00 0.00 O ATOM 614 CB ASP A 37 10.547 -10.677 -14.669 1.00 0.00 C ATOM 615 CG ASP A 37 11.605 -11.104 -15.668 1.00 0.00 C ATOM 616 OD1 ASP A 37 11.985 -10.273 -16.521 1.00 0.00 O ATOM 617 OD2 ASP A 37 12.054 -12.267 -15.598 1.00 0.00 O ATOM 0 H ASP A 37 12.561 -9.958 -13.191 1.00 0.00 H new ATOM 0 HA ASP A 37 10.618 -8.541 -14.893 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.517 -11.393 -13.848 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.568 -10.701 -15.148 1.00 0.00 H new ATOM 622 N ASP A 38 10.315 -8.224 -11.977 1.00 0.00 N ATOM 623 CA ASP A 38 9.501 -7.885 -10.815 1.00 0.00 C ATOM 624 C ASP A 38 8.584 -6.703 -11.115 1.00 0.00 C ATOM 625 O ASP A 38 9.014 -5.701 -11.687 1.00 0.00 O ATOM 626 CB ASP A 38 10.396 -7.559 -9.618 1.00 0.00 C ATOM 627 CG ASP A 38 9.626 -7.528 -8.312 1.00 0.00 C ATOM 628 OD1 ASP A 38 9.086 -6.455 -7.967 1.00 0.00 O ATOM 629 OD2 ASP A 38 9.563 -8.575 -7.633 1.00 0.00 O ATOM 0 H ASP A 38 11.251 -7.819 -11.969 1.00 0.00 H new ATOM 0 HA ASP A 38 8.881 -8.749 -10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.192 -8.301 -9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.874 -6.593 -9.778 1.00 0.00 H new ATOM 634 N GLU A 39 7.320 -6.830 -10.726 1.00 0.00 N ATOM 635 CA GLU A 39 6.341 -5.772 -10.952 1.00 0.00 C ATOM 636 C GLU A 39 5.429 -5.609 -9.741 1.00 0.00 C ATOM 637 O GLU A 39 5.040 -6.591 -9.108 1.00 0.00 O ATOM 638 CB GLU A 39 5.506 -6.077 -12.196 1.00 0.00 C ATOM 639 CG GLU A 39 6.103 -5.523 -13.480 1.00 0.00 C ATOM 640 CD GLU A 39 5.476 -6.125 -14.722 1.00 0.00 C ATOM 641 OE1 GLU A 39 4.230 -6.161 -14.801 1.00 0.00 O ATOM 642 OE2 GLU A 39 6.232 -6.562 -15.617 1.00 0.00 O ATOM 0 H GLU A 39 6.949 -7.654 -10.253 1.00 0.00 H new ATOM 0 HA GLU A 39 6.881 -4.838 -11.107 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.395 -7.157 -12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.506 -5.664 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.972 -4.441 -13.500 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.176 -5.715 -13.490 1.00 0.00 H new ATOM 649 N ILE A 40 5.091 -4.364 -9.422 1.00 0.00 N ATOM 650 CA ILE A 40 4.225 -4.076 -8.285 1.00 0.00 C ATOM 651 C ILE A 40 3.409 -2.809 -8.519 1.00 0.00 C ATOM 652 O ILE A 40 3.958 -1.755 -8.841 1.00 0.00 O ATOM 653 CB ILE A 40 5.036 -3.915 -6.985 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.041 -5.060 -6.836 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.104 -3.862 -5.783 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.884 -4.966 -5.583 1.00 0.00 C ATOM 0 H ILE A 40 5.403 -3.539 -9.934 1.00 0.00 H new ATOM 0 HA ILE A 40 3.551 -4.926 -8.182 1.00 0.00 H new ATOM 0 HB ILE A 40 5.589 -2.977 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.502 -6.007 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.698 -5.072 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.691 -3.748 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.426 -3.015 -5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.527 -4.785 -5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.573 -5.810 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.451 -4.035 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.236 -4.985 -4.706 1.00 0.00 H new ATOM 668 N ALA A 41 2.095 -2.920 -8.353 1.00 0.00 N ATOM 669 CA ALA A 41 1.202 -1.784 -8.542 1.00 0.00 C ATOM 670 C ALA A 41 0.754 -1.214 -7.201 1.00 0.00 C ATOM 671 O ALA A 41 0.021 -1.862 -6.454 1.00 0.00 O ATOM 672 CB ALA A 41 -0.003 -2.192 -9.375 1.00 0.00 C ATOM 0 H ALA A 41 1.625 -3.786 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 41 1.749 -1.006 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.661 -1.333 -9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.332 -2.547 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.545 -2.989 -8.865 1.00 0.00 H new ATOM 678 N ILE A 42 1.204 -0.001 -6.899 1.00 0.00 N ATOM 679 CA ILE A 42 0.854 0.654 -5.646 1.00 0.00 C ATOM 680 C ILE A 42 -0.141 1.789 -5.879 1.00 0.00 C ATOM 681 O ILE A 42 0.101 2.685 -6.687 1.00 0.00 O ATOM 682 CB ILE A 42 2.107 1.210 -4.936 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.116 0.088 -4.678 1.00 0.00 C ATOM 684 CG2 ILE A 42 1.726 1.891 -3.628 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.806 -0.408 -5.931 1.00 0.00 C ATOM 0 H ILE A 42 1.812 0.548 -7.506 1.00 0.00 H new ATOM 0 HA ILE A 42 0.392 -0.100 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 42 2.569 1.952 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.869 0.443 -3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.603 -0.747 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.623 2.276 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.042 2.715 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.239 1.170 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.506 -1.202 -5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.062 -0.794 -6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.348 0.415 -6.398 1.00 0.00 H new ATOM 697 N ILE A 43 -1.261 1.740 -5.164 1.00 0.00 N ATOM 698 CA ILE A 43 -2.295 2.760 -5.289 1.00 0.00 C ATOM 699 C ILE A 43 -2.526 3.470 -3.959 1.00 0.00 C ATOM 700 O ILE A 43 -3.161 2.926 -3.056 1.00 0.00 O ATOM 701 CB ILE A 43 -3.627 2.153 -5.772 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.397 1.281 -7.008 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.632 3.254 -6.074 1.00 0.00 C ATOM 704 CD1 ILE A 43 -2.969 -0.133 -6.678 1.00 0.00 C ATOM 0 H ILE A 43 -1.475 1.004 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.944 3.480 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.032 1.526 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.315 1.247 -7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.636 1.746 -7.634 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.567 2.810 -6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.814 3.838 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.235 3.905 -6.853 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.824 -0.694 -7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.034 -0.109 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.740 -0.616 -6.077 1.00 0.00 H new ATOM 716 N SER A 44 -2.006 4.688 -3.843 1.00 0.00 N ATOM 717 CA SER A 44 -2.155 5.470 -2.621 1.00 0.00 C ATOM 718 C SER A 44 -3.581 5.993 -2.477 1.00 0.00 C ATOM 719 O SER A 44 -4.225 6.348 -3.463 1.00 0.00 O ATOM 720 CB SER A 44 -1.168 6.639 -2.617 1.00 0.00 C ATOM 721 OG SER A 44 0.146 6.201 -2.918 1.00 0.00 O ATOM 0 H SER A 44 -1.478 5.155 -4.580 1.00 0.00 H new ATOM 0 HA SER A 44 -1.941 4.818 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.481 7.386 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.178 7.124 -1.641 1.00 0.00 H new ATOM 0 HG SER A 44 0.711 6.291 -2.123 1.00 0.00 H new ATOM 727 N ILE A 45 -4.065 6.041 -1.239 1.00 0.00 N ATOM 728 CA ILE A 45 -5.414 6.526 -0.968 1.00 0.00 C ATOM 729 C ILE A 45 -5.433 7.473 0.228 1.00 0.00 C ATOM 730 O ILE A 45 -6.162 8.464 0.233 1.00 0.00 O ATOM 731 CB ILE A 45 -6.401 5.365 -0.714 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.037 4.607 0.566 1.00 0.00 C ATOM 733 CG2 ILE A 45 -6.425 4.420 -1.907 1.00 0.00 C ATOM 734 CD1 ILE A 45 -4.727 3.853 0.478 1.00 0.00 C ATOM 0 H ILE A 45 -3.545 5.751 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.733 7.067 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.398 5.787 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.983 5.315 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.836 3.903 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.125 3.607 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.740 4.965 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.428 4.010 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.537 3.342 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.782 3.120 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.917 4.554 0.276 1.00 0.00 H new ATOM 746 N LYS A 46 -4.628 7.164 1.241 1.00 0.00 N ATOM 747 CA LYS A 46 -4.561 7.992 2.437 1.00 0.00 C ATOM 748 C LYS A 46 -3.127 8.130 2.933 1.00 0.00 C ATOM 749 O LYS A 46 -2.610 7.249 3.621 1.00 0.00 O ATOM 750 CB LYS A 46 -5.446 7.407 3.538 1.00 0.00 C ATOM 751 CG LYS A 46 -6.890 7.880 3.474 1.00 0.00 C ATOM 752 CD LYS A 46 -7.767 6.885 2.732 1.00 0.00 C ATOM 753 CE LYS A 46 -9.219 7.336 2.702 1.00 0.00 C ATOM 754 NZ LYS A 46 -10.155 6.215 2.990 1.00 0.00 N ATOM 0 H LYS A 46 -4.016 6.348 1.256 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.926 8.986 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.425 6.319 3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.028 7.673 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.273 8.022 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.935 8.849 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.401 6.765 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.698 5.909 3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.368 8.130 3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.448 7.758 1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.134 6.564 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.032 5.468 2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.954 5.829 3.934 1.00 0.00 H new ATOM 768 N GLY A 47 -2.492 9.247 2.585 1.00 0.00 N ATOM 769 CA GLY A 47 -1.126 9.487 3.012 1.00 0.00 C ATOM 770 C GLY A 47 -0.971 9.348 4.513 1.00 0.00 C ATOM 771 O GLY A 47 0.038 8.832 4.997 1.00 0.00 O ATOM 0 H GLY A 47 -2.900 9.989 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.460 8.784 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.821 10.488 2.707 1.00 0.00 H new ATOM 775 N THR A 48 -1.983 9.796 5.247 1.00 0.00 N ATOM 776 CA THR A 48 -1.970 9.707 6.699 1.00 0.00 C ATOM 777 C THR A 48 -2.040 8.250 7.136 1.00 0.00 C ATOM 778 O THR A 48 -1.485 7.870 8.167 1.00 0.00 O ATOM 779 CB THR A 48 -3.143 10.488 7.291 1.00 0.00 C ATOM 780 OG1 THR A 48 -3.106 10.451 8.707 1.00 0.00 O ATOM 781 CG2 THR A 48 -4.493 9.961 6.853 1.00 0.00 C ATOM 0 H THR A 48 -2.823 10.225 4.858 1.00 0.00 H new ATOM 0 HA THR A 48 -1.040 10.142 7.065 1.00 0.00 H new ATOM 0 HB THR A 48 -3.030 11.507 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.864 10.957 9.067 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.282 10.559 7.308 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.572 10.021 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.598 8.923 7.167 1.00 0.00 H new ATOM 789 N GLN A 49 -2.723 7.434 6.337 1.00 0.00 N ATOM 790 CA GLN A 49 -2.862 6.015 6.633 1.00 0.00 C ATOM 791 C GLN A 49 -1.588 5.265 6.265 1.00 0.00 C ATOM 792 O GLN A 49 -0.776 4.950 7.135 1.00 0.00 O ATOM 793 CB GLN A 49 -4.052 5.421 5.878 1.00 0.00 C ATOM 794 CG GLN A 49 -5.369 5.536 6.629 1.00 0.00 C ATOM 795 CD GLN A 49 -5.697 4.285 7.421 1.00 0.00 C ATOM 796 OE1 GLN A 49 -5.667 4.289 8.651 1.00 0.00 O ATOM 797 NE2 GLN A 49 -6.011 3.204 6.716 1.00 0.00 N ATOM 0 H GLN A 49 -3.188 7.733 5.480 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.037 5.908 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.148 5.923 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.852 4.370 5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.324 6.389 7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.172 5.734 5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.024 3.246 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.240 2.332 7.194 1.00 0.00 H new ATOM 806 N SER A 50 -1.413 4.987 4.970 1.00 0.00 N ATOM 807 CA SER A 50 -0.222 4.274 4.495 1.00 0.00 C ATOM 808 C SER A 50 -0.420 3.731 3.080 1.00 0.00 C ATOM 809 O SER A 50 0.043 2.636 2.758 1.00 0.00 O ATOM 810 CB SER A 50 0.134 3.120 5.440 1.00 0.00 C ATOM 811 OG SER A 50 1.107 3.518 6.389 1.00 0.00 O ATOM 0 H SER A 50 -2.074 5.242 4.236 1.00 0.00 H new ATOM 0 HA SER A 50 0.597 4.993 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.763 2.779 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.510 2.276 4.862 1.00 0.00 H new ATOM 0 HG SER A 50 0.667 3.972 7.138 1.00 0.00 H new ATOM 817 N ASN A 51 -1.100 4.497 2.234 1.00 0.00 N ATOM 818 CA ASN A 51 -1.342 4.076 0.856 1.00 0.00 C ATOM 819 C ASN A 51 -1.877 2.647 0.806 1.00 0.00 C ATOM 820 O ASN A 51 -2.266 2.084 1.830 1.00 0.00 O ATOM 821 CB ASN A 51 -0.048 4.175 0.041 1.00 0.00 C ATOM 822 CG ASN A 51 0.721 5.451 0.322 1.00 0.00 C ATOM 823 OD1 ASN A 51 0.297 6.542 -0.058 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.860 5.318 0.991 1.00 0.00 N ATOM 0 H ASN A 51 -1.492 5.407 2.475 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.092 4.739 0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.585 3.317 0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.287 4.126 -1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.422 6.141 1.210 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.173 4.393 1.286 1.00 0.00 H new ATOM 831 N HIS A 52 -1.888 2.061 -0.387 1.00 0.00 N ATOM 832 CA HIS A 52 -2.367 0.695 -0.566 1.00 0.00 C ATOM 833 C HIS A 52 -1.525 -0.038 -1.605 1.00 0.00 C ATOM 834 O HIS A 52 -1.799 0.030 -2.804 1.00 0.00 O ATOM 835 CB HIS A 52 -3.839 0.695 -0.985 1.00 0.00 C ATOM 836 CG HIS A 52 -4.789 0.563 0.167 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.393 0.662 1.484 1.00 0.00 N ATOM 838 CD2 HIS A 52 -6.124 0.344 0.193 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.443 0.507 2.271 1.00 0.00 C ATOM 840 NE2 HIS A 52 -6.506 0.314 1.513 1.00 0.00 N ATOM 0 H HIS A 52 -1.570 2.511 -1.245 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.274 0.173 0.387 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.056 1.619 -1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.010 -0.125 -1.682 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -3.438 0.829 1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.769 0.217 -0.664 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.433 0.534 3.351 1.00 0.00 H new ATOM 849 N VAL A 53 -0.495 -0.734 -1.135 1.00 0.00 N ATOM 850 CA VAL A 53 0.396 -1.477 -2.018 1.00 0.00 C ATOM 851 C VAL A 53 -0.185 -2.843 -2.373 1.00 0.00 C ATOM 852 O VAL A 53 -0.807 -3.500 -1.540 1.00 0.00 O ATOM 853 CB VAL A 53 1.785 -1.669 -1.373 1.00 0.00 C ATOM 854 CG1 VAL A 53 1.667 -2.436 -0.065 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.735 -2.375 -2.332 1.00 0.00 C ATOM 0 H VAL A 53 -0.257 -0.799 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 53 0.502 -0.889 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 53 2.198 -0.684 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.657 -2.561 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.031 -1.882 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.228 -3.415 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.707 -2.499 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.330 -3.353 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.848 -1.778 -3.237 1.00 0.00 H new ATOM 865 N LEU A 54 0.030 -3.265 -3.616 1.00 0.00 N ATOM 866 CA LEU A 54 -0.465 -4.554 -4.085 1.00 0.00 C ATOM 867 C LEU A 54 0.536 -5.205 -5.036 1.00 0.00 C ATOM 868 O LEU A 54 1.011 -4.571 -5.979 1.00 0.00 O ATOM 869 CB LEU A 54 -1.818 -4.384 -4.783 1.00 0.00 C ATOM 870 CG LEU A 54 -2.855 -5.459 -4.451 1.00 0.00 C ATOM 871 CD1 LEU A 54 -2.426 -6.806 -5.011 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.067 -5.547 -2.947 1.00 0.00 C ATOM 0 H LEU A 54 0.545 -2.732 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.593 -5.204 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.228 -3.410 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.656 -4.377 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.801 -5.181 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.176 -7.558 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.326 -6.735 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.469 -7.093 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.808 -6.316 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.125 -5.801 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.420 -4.586 -2.573 1.00 0.00 H new ATOM 884 N PHE A 55 0.854 -6.469 -4.780 1.00 0.00 N ATOM 885 CA PHE A 55 1.801 -7.202 -5.613 1.00 0.00 C ATOM 886 C PHE A 55 1.211 -7.493 -6.989 1.00 0.00 C ATOM 887 O PHE A 55 0.007 -7.711 -7.125 1.00 0.00 O ATOM 888 CB PHE A 55 2.204 -8.512 -4.933 1.00 0.00 C ATOM 889 CG PHE A 55 3.620 -8.926 -5.218 1.00 0.00 C ATOM 890 CD1 PHE A 55 4.684 -8.192 -4.718 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.887 -10.047 -5.986 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.988 -8.570 -4.977 1.00 0.00 C ATOM 893 CE2 PHE A 55 5.189 -10.431 -6.249 1.00 0.00 C ATOM 894 CZ PHE A 55 6.241 -9.691 -5.744 1.00 0.00 C ATOM 0 H PHE A 55 0.471 -7.007 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 55 2.686 -6.579 -5.743 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.075 -8.407 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.530 -9.304 -5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.492 -7.314 -4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.068 -10.628 -6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.808 -7.990 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.383 -11.308 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.259 -9.988 -5.948 1.00 0.00 H new ATOM 904 N LEU A 56 2.068 -7.495 -8.004 1.00 0.00 N ATOM 905 CA LEU A 56 1.634 -7.760 -9.370 1.00 0.00 C ATOM 906 C LEU A 56 2.612 -8.691 -10.080 1.00 0.00 C ATOM 907 O LEU A 56 3.822 -8.614 -9.870 1.00 0.00 O ATOM 908 CB LEU A 56 1.497 -6.448 -10.148 1.00 0.00 C ATOM 909 CG LEU A 56 0.167 -6.266 -10.879 1.00 0.00 C ATOM 910 CD1 LEU A 56 -0.981 -6.185 -9.884 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.205 -5.021 -11.752 1.00 0.00 C ATOM 0 H LEU A 56 3.067 -7.316 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 56 0.661 -8.250 -9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.630 -5.617 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.306 -6.389 -10.876 1.00 0.00 H new ATOM 0 HG LEU A 56 0.005 -7.132 -11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.920 -6.055 -10.422 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.021 -7.104 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.825 -5.337 -9.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.750 -4.907 -12.265 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.389 -4.146 -11.129 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.003 -5.117 -12.488 1.00 0.00 H new ATOM 923 N SER A 57 2.078 -9.572 -10.921 1.00 0.00 N ATOM 924 CA SER A 57 2.906 -10.518 -11.661 1.00 0.00 C ATOM 925 C SER A 57 3.134 -10.039 -13.091 1.00 0.00 C ATOM 926 O SER A 57 4.207 -9.533 -13.422 1.00 0.00 O ATOM 927 CB SER A 57 2.251 -11.902 -11.669 1.00 0.00 C ATOM 928 OG SER A 57 2.275 -12.486 -10.379 1.00 0.00 O ATOM 0 H SER A 57 1.078 -9.650 -11.107 1.00 0.00 H new ATOM 0 HA SER A 57 3.873 -10.585 -11.163 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.221 -11.818 -12.014 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.771 -12.550 -12.374 1.00 0.00 H new ATOM 0 HG SER A 57 1.849 -13.368 -10.411 1.00 0.00 H new ATOM 934 N SER A 58 2.121 -10.204 -13.935 1.00 0.00 N ATOM 935 CA SER A 58 2.211 -9.788 -15.330 1.00 0.00 C ATOM 936 C SER A 58 0.897 -10.046 -16.059 1.00 0.00 C ATOM 937 O SER A 58 0.261 -11.082 -15.865 1.00 0.00 O ATOM 938 CB SER A 58 3.351 -10.528 -16.034 1.00 0.00 C ATOM 939 OG SER A 58 3.330 -11.911 -15.724 1.00 0.00 O ATOM 0 H SER A 58 1.228 -10.623 -13.677 1.00 0.00 H new ATOM 0 HA SER A 58 2.415 -8.717 -15.351 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.265 -10.393 -17.112 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.307 -10.099 -15.734 1.00 0.00 H new ATOM 0 HG SER A 58 4.067 -12.361 -16.187 1.00 0.00 H new ATOM 945 N TYR A 59 0.495 -9.097 -16.898 1.00 0.00 N ATOM 946 CA TYR A 59 -0.745 -9.223 -17.656 1.00 0.00 C ATOM 947 C TYR A 59 -0.609 -8.585 -19.035 1.00 0.00 C ATOM 948 O TYR A 59 -0.988 -9.180 -20.045 1.00 0.00 O ATOM 949 CB TYR A 59 -1.901 -8.574 -16.893 1.00 0.00 C ATOM 950 CG TYR A 59 -3.165 -9.404 -16.888 1.00 0.00 C ATOM 951 CD1 TYR A 59 -3.218 -10.619 -16.215 1.00 0.00 C ATOM 952 CD2 TYR A 59 -4.303 -8.974 -17.558 1.00 0.00 C ATOM 953 CE1 TYR A 59 -4.370 -11.381 -16.210 1.00 0.00 C ATOM 954 CE2 TYR A 59 -5.460 -9.731 -17.556 1.00 0.00 C ATOM 955 CZ TYR A 59 -5.488 -10.933 -16.881 1.00 0.00 C ATOM 956 OH TYR A 59 -6.638 -11.689 -16.878 1.00 0.00 O ATOM 0 H TYR A 59 1.009 -8.233 -17.070 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.955 -10.285 -17.787 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.590 -8.394 -15.864 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.117 -7.601 -17.335 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.345 -10.973 -15.688 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.284 -8.034 -18.089 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.395 -12.323 -15.683 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.337 -9.383 -18.081 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.332 -11.231 -17.396 1.00 0.00 H new ATOM 966 N ASN A 60 -0.068 -7.372 -19.071 1.00 0.00 N ATOM 967 CA ASN A 60 0.117 -6.654 -20.327 1.00 0.00 C ATOM 968 C ASN A 60 -1.222 -6.417 -21.019 1.00 0.00 C ATOM 969 O ASN A 60 -1.296 -6.366 -22.247 1.00 0.00 O ATOM 970 CB ASN A 60 1.052 -7.436 -21.253 1.00 0.00 C ATOM 971 CG ASN A 60 1.873 -6.527 -22.147 1.00 0.00 C ATOM 972 OD1 ASN A 60 2.112 -5.365 -21.819 1.00 0.00 O ATOM 973 ND2 ASN A 60 2.309 -7.053 -23.286 1.00 0.00 N ATOM 0 H ASN A 60 0.250 -6.865 -18.245 1.00 0.00 H new ATOM 0 HA ASN A 60 0.566 -5.687 -20.102 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.722 -8.052 -20.653 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.463 -8.114 -21.871 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.865 -6.489 -23.928 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.087 -8.021 -23.518 1.00 0.00 H new ATOM 980 N SER A 61 -2.276 -6.273 -20.223 1.00 0.00 N ATOM 981 CA SER A 61 -3.612 -6.041 -20.759 1.00 0.00 C ATOM 982 C SER A 61 -4.501 -5.358 -19.725 1.00 0.00 C ATOM 983 O SER A 61 -4.333 -5.556 -18.521 1.00 0.00 O ATOM 984 CB SER A 61 -4.244 -7.363 -21.200 1.00 0.00 C ATOM 985 OG SER A 61 -3.253 -8.346 -21.445 1.00 0.00 O ATOM 0 H SER A 61 -2.231 -6.313 -19.205 1.00 0.00 H new ATOM 0 HA SER A 61 -3.521 -5.384 -21.624 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.929 -7.717 -20.430 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.834 -7.204 -22.103 1.00 0.00 H new ATOM 0 HG SER A 61 -3.683 -9.181 -21.724 1.00 0.00 H new ATOM 991 N VAL A 62 -5.446 -4.555 -20.202 1.00 0.00 N ATOM 992 CA VAL A 62 -6.362 -3.842 -19.318 1.00 0.00 C ATOM 993 C VAL A 62 -7.805 -4.276 -19.555 1.00 0.00 C ATOM 994 O VAL A 62 -8.352 -4.079 -20.640 1.00 0.00 O ATOM 995 CB VAL A 62 -6.258 -2.316 -19.510 1.00 0.00 C ATOM 996 CG1 VAL A 62 -5.026 -1.772 -18.805 1.00 0.00 C ATOM 997 CG2 VAL A 62 -6.235 -1.963 -20.990 1.00 0.00 C ATOM 0 H VAL A 62 -5.598 -4.381 -21.196 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.073 -4.092 -18.297 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.138 -1.852 -19.064 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.969 -0.693 -18.952 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.091 -1.990 -17.739 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.133 -2.242 -19.218 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.161 -0.882 -21.105 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.376 -2.438 -21.464 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.151 -2.317 -21.463 1.00 0.00 H new ATOM 1007 N ASP A 63 -8.414 -4.866 -18.533 1.00 0.00 N ATOM 1008 CA ASP A 63 -9.796 -5.327 -18.627 1.00 0.00 C ATOM 1009 C ASP A 63 -10.261 -5.928 -17.303 1.00 0.00 C ATOM 1010 O ASP A 63 -10.975 -5.281 -16.536 1.00 0.00 O ATOM 1011 CB ASP A 63 -9.950 -6.357 -19.755 1.00 0.00 C ATOM 1012 CG ASP A 63 -8.678 -7.144 -20.014 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -8.477 -8.183 -19.349 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -7.884 -6.723 -20.881 1.00 0.00 O ATOM 0 H ASP A 63 -7.973 -5.037 -17.629 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.421 -4.463 -18.854 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.754 -7.048 -19.502 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.247 -5.845 -20.670 1.00 0.00 H new ATOM 1019 N GLU A 64 -9.851 -7.164 -17.038 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.227 -7.845 -15.805 1.00 0.00 C ATOM 1021 C GLU A 64 -9.266 -7.489 -14.675 1.00 0.00 C ATOM 1022 O GLU A 64 -9.684 -7.248 -13.543 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.246 -9.360 -16.019 1.00 0.00 C ATOM 1024 CG GLU A 64 -11.622 -9.908 -16.362 1.00 0.00 C ATOM 1025 CD GLU A 64 -11.584 -11.371 -16.759 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -11.330 -11.656 -17.948 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -11.807 -12.231 -15.881 1.00 0.00 O ATOM 0 H GLU A 64 -9.259 -7.714 -17.660 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.227 -7.514 -15.525 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.553 -9.614 -16.821 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.883 -9.851 -15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.282 -9.785 -15.504 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.048 -9.325 -17.178 1.00 0.00 H new ATOM 1034 N ILE A 65 -7.975 -7.459 -14.992 1.00 0.00 N ATOM 1035 CA ILE A 65 -6.953 -7.132 -14.007 1.00 0.00 C ATOM 1036 C ILE A 65 -7.133 -5.709 -13.485 1.00 0.00 C ATOM 1037 O ILE A 65 -6.803 -5.412 -12.336 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.536 -7.282 -14.597 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -4.478 -7.030 -13.519 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.343 -6.331 -15.769 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -3.070 -7.359 -13.967 1.00 0.00 C ATOM 0 H ILE A 65 -7.613 -7.658 -15.925 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.067 -7.835 -13.182 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.420 -8.303 -14.961 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.520 -5.983 -13.218 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.719 -7.625 -12.638 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.338 -6.451 -16.173 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.075 -6.556 -16.545 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.478 -5.304 -15.430 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.373 -7.157 -13.154 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.012 -8.412 -14.241 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.810 -6.745 -14.829 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.654 -4.834 -14.338 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.877 -3.442 -13.966 1.00 0.00 C ATOM 1055 C ARG A 66 -9.096 -3.308 -13.061 1.00 0.00 C ATOM 1056 O ARG A 66 -9.036 -2.667 -12.011 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.060 -2.582 -15.218 1.00 0.00 C ATOM 1058 CG ARG A 66 -7.760 -1.108 -14.992 1.00 0.00 C ATOM 1059 CD ARG A 66 -8.983 -0.241 -15.251 1.00 0.00 C ATOM 1060 NE ARG A 66 -9.574 -0.504 -16.561 1.00 0.00 N ATOM 1061 CZ ARG A 66 -10.428 0.318 -17.168 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -10.791 1.456 -16.587 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -10.919 0.001 -18.358 1.00 0.00 N ATOM 0 H ARG A 66 -7.930 -5.064 -15.293 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.001 -3.094 -13.418 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.410 -2.960 -16.007 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.085 -2.685 -15.573 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.418 -0.959 -13.968 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.947 -0.797 -15.648 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.727 -0.422 -14.475 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.703 0.810 -15.184 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.317 -1.368 -17.039 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.415 1.704 -15.672 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.445 2.082 -17.056 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.643 -0.872 -18.808 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.573 0.630 -18.824 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.204 -3.915 -13.476 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.439 -3.861 -12.702 1.00 0.00 C ATOM 1079 C LYS A 67 -11.241 -4.463 -11.313 1.00 0.00 C ATOM 1080 O LYS A 67 -11.880 -4.044 -10.347 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.559 -4.601 -13.440 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.782 -3.739 -13.709 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.541 -4.215 -14.938 1.00 0.00 C ATOM 1084 CE LYS A 67 -14.332 -3.282 -16.120 1.00 0.00 C ATOM 1085 NZ LYS A 67 -12.887 -3.059 -16.404 1.00 0.00 N ATOM 0 H LYS A 67 -10.272 -4.449 -14.342 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.720 -2.814 -12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.173 -4.975 -14.388 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.858 -5.469 -12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.442 -3.761 -12.842 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.474 -2.703 -13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.211 -5.219 -15.204 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.604 -4.279 -14.708 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.815 -3.701 -17.003 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.814 -2.326 -15.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.778 -2.668 -17.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.496 -2.390 -15.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.377 -3.963 -16.339 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.354 -5.448 -11.222 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.075 -6.109 -9.953 1.00 0.00 C ATOM 1101 C GLU A 68 -9.278 -5.199 -9.021 1.00 0.00 C ATOM 1102 O GLU A 68 -9.686 -4.945 -7.888 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.304 -7.409 -10.192 1.00 0.00 C ATOM 1104 CG GLU A 68 -9.213 -8.297 -8.962 1.00 0.00 C ATOM 1105 CD GLU A 68 -9.912 -9.630 -9.149 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -9.996 -10.098 -10.304 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -10.376 -10.204 -8.142 1.00 0.00 O ATOM 0 H GLU A 68 -9.816 -5.806 -12.011 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.029 -6.337 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.786 -7.965 -10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.297 -7.167 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.164 -8.472 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.652 -7.777 -8.111 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.138 -4.716 -9.505 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.282 -3.840 -8.713 1.00 0.00 C ATOM 1116 C LEU A 69 -8.008 -2.554 -8.332 1.00 0.00 C ATOM 1117 O LEU A 69 -8.025 -2.164 -7.164 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.000 -3.512 -9.482 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.706 -3.690 -8.688 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.242 -5.137 -8.744 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.625 -2.760 -9.216 1.00 0.00 C ATOM 0 H LEU A 69 -7.786 -4.916 -10.441 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.022 -4.367 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.954 -4.144 -10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.056 -2.480 -9.829 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.901 -3.432 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.320 -5.246 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.010 -5.782 -8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.063 -5.422 -9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.711 -2.900 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.431 -2.986 -10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.957 -1.726 -9.123 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.606 -1.894 -9.321 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.330 -0.650 -9.080 1.00 0.00 C ATOM 1135 C GLU A 70 -10.346 -0.823 -7.954 1.00 0.00 C ATOM 1136 O GLU A 70 -10.558 0.085 -7.150 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.032 -0.182 -10.359 1.00 0.00 C ATOM 1138 CG GLU A 70 -11.244 -1.019 -10.737 1.00 0.00 C ATOM 1139 CD GLU A 70 -11.991 -0.456 -11.931 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -11.514 -0.641 -13.070 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -13.052 0.169 -11.725 1.00 0.00 O ATOM 0 H GLU A 70 -8.603 -2.199 -10.294 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.608 0.109 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.344 0.855 -10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.318 -0.202 -11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.923 -2.036 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.921 -1.078 -9.884 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.965 -1.998 -7.901 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.952 -2.294 -6.871 1.00 0.00 C ATOM 1150 C GLU A 71 -11.307 -2.293 -5.490 1.00 0.00 C ATOM 1151 O GLU A 71 -11.865 -1.755 -4.533 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.609 -3.650 -7.138 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.994 -3.787 -6.523 1.00 0.00 C ATOM 1154 CD GLU A 71 -15.076 -4.011 -7.562 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -15.319 -5.181 -7.923 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -15.681 -3.015 -8.012 1.00 0.00 O ATOM 0 H GLU A 71 -10.800 -2.760 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.716 -1.517 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.682 -3.803 -8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.967 -4.439 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.994 -4.619 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.224 -2.887 -5.953 1.00 0.00 H new ATOM 1163 N ALA A 72 -10.125 -2.896 -5.394 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.402 -2.961 -4.128 1.00 0.00 C ATOM 1165 C ALA A 72 -8.683 -1.648 -3.839 1.00 0.00 C ATOM 1166 O ALA A 72 -8.408 -1.322 -2.685 1.00 0.00 O ATOM 1167 CB ALA A 72 -8.411 -4.115 -4.146 1.00 0.00 C ATOM 0 H ALA A 72 -9.649 -3.346 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.127 -3.131 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.878 -4.152 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.946 -5.052 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.697 -3.969 -4.957 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.381 -0.897 -4.894 1.00 0.00 N ATOM 1174 CA GLY A 73 -7.696 0.372 -4.731 1.00 0.00 C ATOM 1175 C GLY A 73 -8.439 1.321 -3.811 1.00 0.00 C ATOM 1176 O GLY A 73 -7.906 1.746 -2.787 1.00 0.00 O ATOM 0 H GLY A 73 -8.599 -1.145 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.697 0.193 -4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.571 0.841 -5.707 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.672 1.656 -4.177 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.486 2.561 -3.376 1.00 0.00 C ATOM 1182 C ALA A 74 -11.892 2.697 -3.951 1.00 0.00 C ATOM 1183 O ALA A 74 -12.459 3.790 -3.982 1.00 0.00 O ATOM 1184 CB ALA A 74 -9.820 3.925 -3.284 1.00 0.00 C ATOM 0 H ALA A 74 -10.128 1.314 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.572 2.139 -2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.438 4.592 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.840 3.821 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.704 4.341 -4.285 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.449 1.581 -4.403 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.790 1.576 -4.975 1.00 0.00 C ATOM 1192 C LYS A 75 -14.850 1.541 -3.880 1.00 0.00 C ATOM 1193 O LYS A 75 -15.365 2.579 -3.466 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.956 0.386 -5.929 1.00 0.00 C ATOM 1195 CG LYS A 75 -15.374 0.211 -6.452 1.00 0.00 C ATOM 1196 CD LYS A 75 -15.808 1.399 -7.295 1.00 0.00 C ATOM 1197 CE LYS A 75 -15.706 1.098 -8.781 1.00 0.00 C ATOM 1198 NZ LYS A 75 -16.878 1.620 -9.536 1.00 0.00 N ATOM 0 H LYS A 75 -11.994 0.668 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.925 2.497 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.280 0.513 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.654 -0.526 -5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.433 -0.700 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.060 0.089 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.835 1.666 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.188 2.262 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.792 1.540 -9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.630 0.021 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.769 1.394 -10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.748 1.180 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.936 2.651 -9.417 1.00 0.00 H new ATOM 1212 N ILE A 76 -15.165 0.343 -3.416 1.00 0.00 N ATOM 1213 CA ILE A 76 -16.161 0.165 -2.363 1.00 0.00 C ATOM 1214 C ILE A 76 -15.497 -0.041 -1.003 1.00 0.00 C ATOM 1215 O ILE A 76 -15.368 0.898 -0.219 1.00 0.00 O ATOM 1216 CB ILE A 76 -17.117 -1.019 -2.653 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -16.450 -2.066 -3.552 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -18.400 -0.513 -3.294 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -17.099 -3.430 -3.474 1.00 0.00 C ATOM 0 H ILE A 76 -14.746 -0.525 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 76 -16.750 1.082 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.358 -1.498 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -16.478 -1.718 -4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -15.400 -2.156 -3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -19.064 -1.354 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -18.893 0.186 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.164 -0.008 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.576 -4.120 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.047 -3.799 -2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -18.142 -3.355 -3.780 1.00 0.00 H new ATOM 1231 N ASN A 77 -15.079 -1.273 -0.728 1.00 0.00 N ATOM 1232 CA ASN A 77 -14.431 -1.593 0.540 1.00 0.00 C ATOM 1233 C ASN A 77 -13.762 -2.962 0.477 1.00 0.00 C ATOM 1234 O ASN A 77 -14.085 -3.784 -0.381 1.00 0.00 O ATOM 1235 CB ASN A 77 -15.449 -1.563 1.680 1.00 0.00 C ATOM 1236 CG ASN A 77 -16.596 -2.528 1.455 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -17.023 -2.750 0.322 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -17.102 -3.109 2.537 1.00 0.00 N ATOM 0 H ASN A 77 -15.177 -2.064 -1.364 1.00 0.00 H new ATOM 0 HA ASN A 77 -13.665 -0.841 0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.949 -1.809 2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.843 -0.552 1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -17.875 -3.768 2.448 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.717 -2.896 3.457 1.00 0.00 H new ATOM 1245 N HIS A 78 -12.828 -3.201 1.392 1.00 0.00 N ATOM 1246 CA HIS A 78 -12.113 -4.471 1.441 1.00 0.00 C ATOM 1247 C HIS A 78 -12.823 -5.459 2.362 1.00 0.00 C ATOM 1248 O HIS A 78 -13.798 -5.112 3.026 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.674 -4.257 1.919 1.00 0.00 C ATOM 1250 CG HIS A 78 -10.039 -3.012 1.379 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -10.205 -1.772 1.959 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -9.238 -2.820 0.305 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -9.535 -0.870 1.263 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -8.938 -1.480 0.257 1.00 0.00 N ATOM 0 H HIS A 78 -12.549 -2.532 2.109 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.095 -4.886 0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.665 -4.216 3.008 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.072 -5.117 1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -8.898 -3.578 -0.385 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -9.485 0.187 1.481 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.349 -1.030 -0.443 1.00 0.00 H new ATOM 1263 N THR A 79 -12.326 -6.692 2.395 1.00 0.00 N ATOM 1264 CA THR A 79 -12.911 -7.730 3.234 1.00 0.00 C ATOM 1265 C THR A 79 -11.866 -8.317 4.179 1.00 0.00 C ATOM 1266 O THR A 79 -11.684 -9.532 4.247 1.00 0.00 O ATOM 1267 CB THR A 79 -13.514 -8.836 2.366 1.00 0.00 C ATOM 1268 OG1 THR A 79 -13.934 -9.929 3.164 1.00 0.00 O ATOM 1269 CG2 THR A 79 -12.554 -9.371 1.326 1.00 0.00 C ATOM 0 H THR A 79 -11.519 -6.996 1.850 1.00 0.00 H new ATOM 0 HA THR A 79 -13.702 -7.278 3.833 1.00 0.00 H new ATOM 0 HB THR A 79 -14.358 -8.373 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.310 -10.048 3.910 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.045 -10.152 0.745 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.249 -8.562 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.675 -9.785 1.821 1.00 0.00 H new ATOM 1277 N THR A 80 -11.181 -7.440 4.908 1.00 0.00 N ATOM 1278 CA THR A 80 -10.152 -7.861 5.851 1.00 0.00 C ATOM 1279 C THR A 80 -9.003 -8.572 5.136 1.00 0.00 C ATOM 1280 O THR A 80 -7.997 -7.950 4.796 1.00 0.00 O ATOM 1281 CB THR A 80 -10.755 -8.757 6.926 1.00 0.00 C ATOM 1282 OG1 THR A 80 -11.681 -8.036 7.719 1.00 0.00 O ATOM 1283 CG2 THR A 80 -9.729 -9.366 7.858 1.00 0.00 C ATOM 0 H THR A 80 -11.321 -6.431 4.863 1.00 0.00 H new ATOM 0 HA THR A 80 -9.744 -6.970 6.328 1.00 0.00 H new ATOM 0 HB THR A 80 -11.243 -9.564 6.380 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.058 -8.629 8.402 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.233 -9.991 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.031 -9.975 7.283 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.183 -8.572 8.367 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.155 -9.876 4.912 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.123 -10.660 4.241 1.00 0.00 C ATOM 1293 C LEU A 81 -8.738 -11.803 3.438 1.00 0.00 C ATOM 1294 O LEU A 81 -8.114 -12.848 3.251 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.135 -11.223 5.266 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.268 -10.180 5.975 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -5.812 -10.698 7.329 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -5.071 -9.810 5.113 1.00 0.00 C ATOM 0 H LEU A 81 -9.980 -10.409 5.185 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.594 -10.000 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.694 -11.780 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.481 -11.935 4.763 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.867 -9.284 6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.197 -9.943 7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.683 -10.914 7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.229 -11.609 7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.465 -9.067 5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.471 -10.700 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.418 -9.397 4.166 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.964 -11.602 2.968 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.658 -12.621 2.189 1.00 0.00 C ATOM 1312 C LYS A 82 -10.137 -12.666 0.756 1.00 0.00 C ATOM 1313 O LYS A 82 -9.704 -13.714 0.276 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.165 -12.356 2.190 1.00 0.00 C ATOM 1315 CG LYS A 82 -13.005 -13.618 2.302 1.00 0.00 C ATOM 1316 CD LYS A 82 -12.934 -14.453 1.032 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.276 -14.505 0.321 1.00 0.00 C ATOM 1318 NZ LYS A 82 -15.113 -15.643 0.795 1.00 0.00 N ATOM 0 H LYS A 82 -10.497 -10.744 3.112 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.466 -13.588 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.408 -11.693 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.434 -11.831 1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.659 -14.212 3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.042 -13.349 2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.183 -14.034 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.613 -15.465 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.810 -13.569 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.114 -14.596 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.020 -15.643 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.615 -16.538 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.289 -15.543 1.815 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.180 -11.525 0.075 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.711 -11.440 -1.302 1.00 0.00 C ATOM 1334 C ILE A 83 -8.261 -11.893 -1.415 1.00 0.00 C ATOM 1335 O ILE A 83 -7.850 -12.444 -2.435 1.00 0.00 O ATOM 1336 CB ILE A 83 -9.837 -10.007 -1.854 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -9.070 -9.024 -0.966 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -11.302 -9.607 -1.953 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -8.888 -7.659 -1.592 1.00 0.00 C ATOM 0 H ILE A 83 -10.535 -10.647 0.455 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.343 -12.102 -1.893 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.402 -9.978 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.599 -8.913 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.090 -9.443 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.376 -8.592 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.822 -10.293 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.758 -9.649 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.336 -7.015 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.332 -7.758 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.864 -7.219 -1.796 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.491 -11.663 -0.358 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.090 -12.056 -0.339 1.00 0.00 C ATOM 1353 C LEU A 84 -5.961 -13.565 -0.177 1.00 0.00 C ATOM 1354 O LEU A 84 -5.025 -14.178 -0.692 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.350 -11.340 0.794 1.00 0.00 C ATOM 1356 CG LEU A 84 -5.122 -9.844 0.572 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -6.231 -9.031 1.222 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.763 -9.425 1.116 1.00 0.00 C ATOM 0 H LEU A 84 -7.814 -11.207 0.495 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.640 -11.768 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.914 -11.473 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.383 -11.822 0.938 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.139 -9.650 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.051 -7.969 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.190 -9.310 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.248 -9.230 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.618 -8.358 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.718 -9.635 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.979 -9.982 0.604 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.911 -14.160 0.537 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.907 -15.600 0.758 1.00 0.00 C ATOM 1372 C GLU A 85 -7.421 -16.337 -0.476 1.00 0.00 C ATOM 1373 O GLU A 85 -7.097 -17.505 -0.693 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.763 -15.953 1.977 1.00 0.00 C ATOM 1375 CG GLU A 85 -7.015 -16.747 3.036 1.00 0.00 C ATOM 1376 CD GLU A 85 -7.295 -16.255 4.443 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -8.455 -16.366 4.890 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -6.353 -15.759 5.096 1.00 0.00 O ATOM 0 H GLU A 85 -7.692 -13.668 0.971 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.880 -15.914 0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.141 -15.033 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.629 -16.527 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.294 -17.798 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.944 -16.687 2.841 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.224 -15.648 -1.284 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.766 -16.257 -2.484 1.00 0.00 C ATOM 1387 C GLY A 86 -8.048 -15.810 -3.744 1.00 0.00 C ATOM 1388 O GLY A 86 -8.103 -16.490 -4.769 1.00 0.00 O ATOM 0 H GLY A 86 -8.508 -14.681 -1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.699 -17.342 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.824 -16.009 -2.566 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.374 -14.665 -3.672 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.647 -14.136 -4.821 1.00 0.00 C ATOM 1394 C HIS A 87 -5.143 -14.313 -4.643 1.00 0.00 C ATOM 1395 O HIS A 87 -4.470 -14.887 -5.500 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.979 -12.656 -5.023 1.00 0.00 C ATOM 1397 CG HIS A 87 -6.794 -12.189 -6.434 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -6.472 -10.889 -6.761 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -6.887 -12.859 -7.608 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -6.376 -10.779 -8.074 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -6.622 -11.959 -8.610 1.00 0.00 N ATOM 0 H HIS A 87 -7.317 -14.088 -2.833 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.957 -14.695 -5.704 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -8.012 -12.479 -4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.349 -12.057 -4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.125 -13.905 -7.732 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.137 -9.876 -8.616 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.616 -12.169 -9.608 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.620 -13.815 -3.527 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.195 -13.919 -3.240 1.00 0.00 C ATOM 1412 C LEU A 88 -2.804 -15.361 -2.936 1.00 0.00 C ATOM 1413 O LEU A 88 -3.473 -15.990 -2.090 1.00 0.00 O ATOM 1414 CB LEU A 88 -2.825 -13.014 -2.062 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.598 -12.128 -2.287 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -1.721 -10.836 -1.493 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -0.327 -12.872 -1.906 1.00 0.00 C ATOM 1418 OXT LEU A 88 -1.831 -15.851 -3.547 1.00 0.00 O ATOM 0 H LEU A 88 -5.162 -13.336 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.646 -13.595 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.678 -12.376 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.648 -13.638 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.544 -11.876 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.840 -10.218 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.611 -10.295 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.800 -11.068 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.536 -12.227 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.372 -13.154 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.233 -13.769 -2.518 1.00 0.00 H new