USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 776 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 63 ASN : amide:sc= 0.293 K(o=1.5,f=0.49) USER MOD Set 1.2: A 74 TYR OH : rot -116:sc= 1.2 USER MOD Set 2.1: A 19 THR OG1 : rot -122:sc= 1.27 USER MOD Set 2.2: A 31 ASN : amide:sc= 0.402 K(o=1.7,f=-10!) USER MOD Set 3.1: A 1 GLY N :NH3+ -179:sc= 0.86 (180deg=0) USER MOD Set 3.2: A 96 THR OG1 : rot 77:sc= 2.01 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= 0.239 (180deg=-0.12) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -41:sc= 0.511 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc=-0.000585 USER MOD Single : A 18 HIS : no HE2:sc= 0.38 K(o=0.38,f=-2!) USER MOD Single : A 26 HIS : no HD1:sc= -0.0413 K(o=-0.041,f=-2.3!) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 1.32 (180deg=1.17) USER MOD Single : A 33 HIS : no HE2:sc= -1.07! C(o=-1.1!,f=-3.7!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 40 SER OG : rot 101:sc= 1.7 USER MOD Single : A 42 GLN : amide:sc= -0.0901 K(o=-0.09,f=-1.8) USER MOD Single : A 46 TYR OH : rot -166:sc= 0.34 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 150:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.7) USER MOD Single : A 54 LYS NZ :NH3+ -112:sc= -0.052 (180deg=-0.71!) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 1.31 (180deg=1.21) USER MOD Single : A 56 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.015) USER MOD Single : A 62 ASN : amide:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 64 MET CE :methyl 179:sc= -0.226 (180deg=-0.229) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 67 TYR OH : rot -120:sc= 0.303 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.275 K(o=0.27,f=-5.2!) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 2.13 (180deg=1.2) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.831) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.42) USER MOD Single : A 80 MET CE :methyl -160:sc= -0.474 (180deg=-1.45!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.19) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0093) USER MOD Single : A 97 TYR OH : rot 175:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -148:sc= 0.395 (180deg=-0.678!) USER MOD Single : A 100 LYS NZ :NH3+ -173:sc= 0.313 (180deg=-0.265) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.422 -9.180 -0.381 1.00 0.00 N ATOM 85 CA GLY A 1 -14.402 -8.494 -1.224 1.00 0.00 C ATOM 86 C GLY A 1 -14.346 -8.994 -2.667 1.00 0.00 C ATOM 87 O GLY A 1 -14.368 -10.201 -2.903 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.498 -8.829 0.595 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.606 -10.203 -0.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.464 -8.995 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.403 -8.651 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.214 -7.420 -1.202 1.00 0.00 H new ATOM 91 N SER A 2 -14.235 -8.094 -3.647 1.00 0.00 N ATOM 92 CA SER A 2 -14.007 -8.469 -5.050 1.00 0.00 C ATOM 93 C SER A 2 -12.892 -7.654 -5.706 1.00 0.00 C ATOM 94 O SER A 2 -12.856 -6.425 -5.639 1.00 0.00 O ATOM 95 CB SER A 2 -15.303 -8.360 -5.850 1.00 0.00 C ATOM 96 OG SER A 2 -15.136 -9.016 -7.096 1.00 0.00 O ATOM 0 H SER A 2 -14.300 -7.088 -3.494 1.00 0.00 H new ATOM 0 HA SER A 2 -13.675 -9.507 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.126 -8.810 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.560 -7.313 -6.008 1.00 0.00 H new ATOM 0 HG SER A 2 -15.966 -8.951 -7.614 1.00 0.00 H new ATOM 102 N ALA A 3 -11.969 -8.342 -6.388 1.00 0.00 N ATOM 103 CA ALA A 3 -10.762 -7.737 -6.955 1.00 0.00 C ATOM 104 C ALA A 3 -11.048 -6.591 -7.945 1.00 0.00 C ATOM 105 O ALA A 3 -10.274 -5.641 -8.018 1.00 0.00 O ATOM 106 CB ALA A 3 -9.919 -8.840 -7.604 1.00 0.00 C ATOM 0 H ALA A 3 -12.041 -9.344 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.210 -7.269 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.016 -8.404 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.644 -9.579 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.496 -9.323 -8.392 1.00 0.00 H new ATOM 112 N LYS A 4 -12.181 -6.624 -8.668 1.00 0.00 N ATOM 113 CA LYS A 4 -12.603 -5.503 -9.534 1.00 0.00 C ATOM 114 C LYS A 4 -13.149 -4.274 -8.796 1.00 0.00 C ATOM 115 O LYS A 4 -13.189 -3.187 -9.364 1.00 0.00 O ATOM 116 CB LYS A 4 -13.594 -5.971 -10.613 1.00 0.00 C ATOM 117 CG LYS A 4 -14.915 -6.539 -10.053 1.00 0.00 C ATOM 118 CD LYS A 4 -16.060 -6.495 -11.078 1.00 0.00 C ATOM 119 CE LYS A 4 -15.754 -7.318 -12.336 1.00 0.00 C ATOM 120 NZ LYS A 4 -16.864 -7.240 -13.321 1.00 0.00 N ATOM 0 H LYS A 4 -12.824 -7.416 -8.671 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.680 -5.165 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.822 -5.132 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.114 -6.734 -11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.757 -7.569 -9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.203 -5.972 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.972 -6.871 -10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.250 -5.460 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.834 -6.956 -12.794 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.584 -8.358 -12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.625 -7.807 -14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.736 -7.608 -12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.009 -6.250 -13.603 1.00 0.00 H new ATOM 134 N LYS A 5 -13.583 -4.459 -7.555 1.00 0.00 N ATOM 135 CA LYS A 5 -14.138 -3.429 -6.662 1.00 0.00 C ATOM 136 C LYS A 5 -13.007 -2.627 -6.026 1.00 0.00 C ATOM 137 O LYS A 5 -12.978 -1.409 -6.165 1.00 0.00 O ATOM 138 CB LYS A 5 -15.058 -4.100 -5.627 1.00 0.00 C ATOM 139 CG LYS A 5 -16.068 -3.173 -4.934 1.00 0.00 C ATOM 140 CD LYS A 5 -15.437 -2.142 -3.980 1.00 0.00 C ATOM 141 CE LYS A 5 -16.433 -1.602 -2.945 1.00 0.00 C ATOM 142 NZ LYS A 5 -16.918 -2.667 -2.033 1.00 0.00 N ATOM 0 H LYS A 5 -13.559 -5.378 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.744 -2.719 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.608 -4.901 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.436 -4.565 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.638 -2.642 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.776 -3.783 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.595 -2.601 -3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.039 -1.311 -4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.958 -0.813 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.282 -1.151 -3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.761 -2.331 -1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.161 -3.513 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.172 -2.904 -1.348 1.00 0.00 H new ATOM 156 N GLY A 6 -12.040 -3.309 -5.403 1.00 0.00 N ATOM 157 CA GLY A 6 -10.804 -2.667 -4.947 1.00 0.00 C ATOM 158 C GLY A 6 -10.062 -1.943 -6.078 1.00 0.00 C ATOM 159 O GLY A 6 -9.555 -0.847 -5.858 1.00 0.00 O ATOM 0 H GLY A 6 -12.091 -4.308 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.040 -1.954 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.148 -3.420 -4.511 1.00 0.00 H new ATOM 163 N ALA A 7 -10.063 -2.502 -7.296 1.00 0.00 N ATOM 164 CA ALA A 7 -9.453 -1.886 -8.480 1.00 0.00 C ATOM 165 C ALA A 7 -9.997 -0.478 -8.770 1.00 0.00 C ATOM 166 O ALA A 7 -9.232 0.484 -8.836 1.00 0.00 O ATOM 167 CB ALA A 7 -9.649 -2.798 -9.702 1.00 0.00 C ATOM 0 H ALA A 7 -10.493 -3.407 -7.488 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.390 -1.771 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.194 -2.335 -10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.178 -3.763 -9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.714 -2.943 -9.881 1.00 0.00 H new ATOM 173 N THR A 8 -11.315 -0.339 -8.949 1.00 0.00 N ATOM 174 CA THR A 8 -11.952 0.958 -9.246 1.00 0.00 C ATOM 175 C THR A 8 -11.851 1.961 -8.093 1.00 0.00 C ATOM 176 O THR A 8 -11.813 3.163 -8.349 1.00 0.00 O ATOM 177 CB THR A 8 -13.424 0.795 -9.645 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.109 0.047 -8.673 1.00 0.00 O ATOM 179 CG2 THR A 8 -13.582 0.059 -10.977 1.00 0.00 C ATOM 0 H THR A 8 -11.972 -1.117 -8.893 1.00 0.00 H new ATOM 0 HA THR A 8 -11.391 1.360 -10.089 1.00 0.00 H new ATOM 0 HB THR A 8 -13.833 1.801 -9.735 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.048 -0.050 -8.936 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.641 -0.033 -11.219 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.078 0.619 -11.764 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.140 -0.934 -10.898 1.00 0.00 H new ATOM 187 N LEU A 9 -11.748 1.479 -6.849 1.00 0.00 N ATOM 188 CA LEU A 9 -11.555 2.273 -5.636 1.00 0.00 C ATOM 189 C LEU A 9 -10.139 2.872 -5.616 1.00 0.00 C ATOM 190 O LEU A 9 -9.963 4.084 -5.727 1.00 0.00 O ATOM 191 CB LEU A 9 -11.883 1.357 -4.428 1.00 0.00 C ATOM 192 CG LEU A 9 -12.345 2.115 -3.178 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.294 1.266 -2.330 1.00 0.00 C ATOM 194 CD2 LEU A 9 -11.216 2.606 -2.272 1.00 0.00 C ATOM 0 H LEU A 9 -11.800 0.479 -6.655 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.223 3.133 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.661 0.652 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.998 0.771 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.851 2.993 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.603 1.833 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.172 1.003 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.784 0.356 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.639 3.130 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.632 1.754 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.571 3.285 -2.830 1.00 0.00 H new ATOM 206 N PHE A 10 -9.130 1.995 -5.564 1.00 0.00 N ATOM 207 CA PHE A 10 -7.696 2.281 -5.713 1.00 0.00 C ATOM 208 C PHE A 10 -7.415 3.283 -6.843 1.00 0.00 C ATOM 209 O PHE A 10 -6.714 4.275 -6.630 1.00 0.00 O ATOM 210 CB PHE A 10 -6.947 0.954 -5.943 1.00 0.00 C ATOM 211 CG PHE A 10 -5.484 1.088 -6.327 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.487 1.137 -5.335 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.111 1.126 -7.685 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.135 1.282 -5.696 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.756 1.225 -8.044 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.768 1.326 -7.051 1.00 0.00 C ATOM 0 H PHE A 10 -9.303 1.002 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.338 2.752 -4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.013 0.357 -5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.461 0.398 -6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.761 1.063 -4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.869 1.079 -8.453 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.378 1.360 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.474 1.223 -9.086 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.730 1.437 -7.328 1.00 0.00 H new ATOM 226 N LYS A 11 -8.017 3.066 -8.024 1.00 0.00 N ATOM 227 CA LYS A 11 -7.895 3.903 -9.237 1.00 0.00 C ATOM 228 C LYS A 11 -8.111 5.406 -9.000 1.00 0.00 C ATOM 229 O LYS A 11 -7.496 6.212 -9.694 1.00 0.00 O ATOM 230 CB LYS A 11 -8.855 3.352 -10.305 1.00 0.00 C ATOM 231 CG LYS A 11 -8.897 4.161 -11.610 1.00 0.00 C ATOM 232 CD LYS A 11 -9.936 3.583 -12.576 1.00 0.00 C ATOM 233 CE LYS A 11 -10.049 4.510 -13.791 1.00 0.00 C ATOM 234 NZ LYS A 11 -11.121 4.064 -14.714 1.00 0.00 N ATOM 0 H LYS A 11 -8.632 2.265 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.862 3.837 -9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.567 2.327 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.860 3.313 -9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.137 5.201 -11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.913 4.153 -12.080 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.643 2.582 -12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.902 3.491 -12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.254 5.527 -13.457 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.097 4.535 -14.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.172 4.712 -15.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.911 3.103 -15.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.033 4.064 -14.213 1.00 0.00 H new ATOM 248 N THR A 12 -8.933 5.787 -8.018 1.00 0.00 N ATOM 249 CA THR A 12 -9.223 7.192 -7.666 1.00 0.00 C ATOM 250 C THR A 12 -9.017 7.519 -6.180 1.00 0.00 C ATOM 251 O THR A 12 -9.504 8.543 -5.702 1.00 0.00 O ATOM 252 CB THR A 12 -10.612 7.598 -8.191 1.00 0.00 C ATOM 253 OG1 THR A 12 -10.750 8.998 -8.154 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.786 6.969 -7.439 1.00 0.00 C ATOM 0 H THR A 12 -9.429 5.118 -7.429 1.00 0.00 H new ATOM 0 HA THR A 12 -8.480 7.809 -8.171 1.00 0.00 H new ATOM 0 HB THR A 12 -10.656 7.218 -9.212 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.366 9.343 -7.321 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.724 7.311 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.726 5.883 -7.513 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.746 7.264 -6.390 1.00 0.00 H new ATOM 262 N ARG A 13 -8.298 6.658 -5.441 1.00 0.00 N ATOM 263 CA ARG A 13 -7.999 6.803 -3.999 1.00 0.00 C ATOM 264 C ARG A 13 -6.504 6.688 -3.659 1.00 0.00 C ATOM 265 O ARG A 13 -6.056 7.295 -2.693 1.00 0.00 O ATOM 266 CB ARG A 13 -8.825 5.769 -3.213 1.00 0.00 C ATOM 267 CG ARG A 13 -10.340 6.059 -3.279 1.00 0.00 C ATOM 268 CD ARG A 13 -10.821 6.965 -2.140 1.00 0.00 C ATOM 269 NE ARG A 13 -11.537 6.185 -1.103 1.00 0.00 N ATOM 270 CZ ARG A 13 -11.962 6.587 0.078 1.00 0.00 C ATOM 271 NH1 ARG A 13 -11.889 7.844 0.427 1.00 0.00 N ATOM 272 NH2 ARG A 13 -12.461 5.734 0.934 1.00 0.00 N ATOM 0 H ARG A 13 -7.893 5.811 -5.841 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.279 7.815 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.630 4.773 -3.611 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.503 5.765 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.574 6.529 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.888 5.117 -3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.968 7.475 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.480 7.737 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.726 5.209 -1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.499 8.531 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.222 8.139 1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.525 4.745 0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.787 6.057 1.845 1.00 0.00 H new ATOM 286 N CYS A 14 -5.742 5.935 -4.462 1.00 0.00 N ATOM 287 CA CYS A 14 -4.322 5.608 -4.249 1.00 0.00 C ATOM 288 C CYS A 14 -3.475 5.824 -5.516 1.00 0.00 C ATOM 289 O CYS A 14 -2.369 6.366 -5.447 1.00 0.00 O ATOM 290 CB CYS A 14 -4.165 4.135 -3.848 1.00 0.00 C ATOM 291 SG CYS A 14 -5.219 3.439 -2.536 1.00 0.00 S ATOM 0 H CYS A 14 -6.112 5.518 -5.316 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.974 6.275 -3.460 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.322 3.535 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.128 3.989 -3.545 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.922 2.186 -2.360 1.00 0.00 H new ATOM 296 N LEU A 15 -3.986 5.432 -6.696 1.00 0.00 N ATOM 297 CA LEU A 15 -3.304 5.513 -8.000 1.00 0.00 C ATOM 298 C LEU A 15 -2.823 6.933 -8.369 1.00 0.00 C ATOM 299 O LEU A 15 -1.856 7.100 -9.114 1.00 0.00 O ATOM 300 CB LEU A 15 -4.249 4.922 -9.056 1.00 0.00 C ATOM 301 CG LEU A 15 -3.671 4.847 -10.479 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.483 3.893 -10.608 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.755 4.376 -11.451 1.00 0.00 C ATOM 0 H LEU A 15 -4.922 5.034 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.381 4.935 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.536 3.918 -8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.160 5.520 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.321 5.852 -10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.128 3.892 -11.638 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.680 4.221 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.793 2.886 -10.330 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.342 4.324 -12.459 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.108 3.389 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.588 5.079 -11.436 1.00 0.00 H new ATOM 315 N GLN A 16 -3.405 7.973 -7.758 1.00 0.00 N ATOM 316 CA GLN A 16 -2.878 9.339 -7.797 1.00 0.00 C ATOM 317 C GLN A 16 -1.383 9.442 -7.423 1.00 0.00 C ATOM 318 O GLN A 16 -0.684 10.270 -8.009 1.00 0.00 O ATOM 319 CB GLN A 16 -3.749 10.270 -6.937 1.00 0.00 C ATOM 320 CG GLN A 16 -3.809 9.895 -5.448 1.00 0.00 C ATOM 321 CD GLN A 16 -4.585 10.945 -4.663 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.802 10.990 -4.659 1.00 0.00 O ATOM 323 NE2 GLN A 16 -3.921 11.846 -3.974 1.00 0.00 N ATOM 0 H GLN A 16 -4.265 7.886 -7.217 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.930 9.666 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.369 11.287 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.762 10.272 -7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.284 8.921 -5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.799 9.807 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.901 11.829 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.425 12.562 -3.451 1.00 0.00 H new ATOM 332 N CYS A 17 -0.868 8.580 -6.534 1.00 0.00 N ATOM 333 CA CYS A 17 0.522 8.601 -6.050 1.00 0.00 C ATOM 334 C CYS A 17 1.353 7.350 -6.373 1.00 0.00 C ATOM 335 O CYS A 17 2.582 7.442 -6.373 1.00 0.00 O ATOM 336 CB CYS A 17 0.525 8.791 -4.534 1.00 0.00 C ATOM 337 SG CYS A 17 -0.122 10.385 -3.945 1.00 0.00 S ATOM 0 H CYS A 17 -1.420 7.829 -6.120 1.00 0.00 H new ATOM 0 HA CYS A 17 0.993 9.428 -6.582 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.063 7.991 -4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.547 8.678 -4.173 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.068 10.422 -2.647 1.00 0.00 H new ATOM 342 N HIS A 18 0.717 6.209 -6.662 1.00 0.00 N ATOM 343 CA HIS A 18 1.353 4.886 -6.785 1.00 0.00 C ATOM 344 C HIS A 18 1.258 4.256 -8.186 1.00 0.00 C ATOM 345 O HIS A 18 0.558 4.744 -9.068 1.00 0.00 O ATOM 346 CB HIS A 18 0.715 3.951 -5.737 1.00 0.00 C ATOM 347 CG HIS A 18 1.366 4.066 -4.389 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.645 3.663 -4.086 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.821 4.611 -3.260 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.880 3.988 -2.808 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.789 4.553 -2.258 1.00 0.00 N ATOM 0 H HIS A 18 -0.290 6.177 -6.823 1.00 0.00 H new ATOM 0 HA HIS A 18 2.420 5.024 -6.612 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.346 4.184 -5.645 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.786 2.920 -6.084 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.297 3.200 -4.720 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.177 5.013 -3.162 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.814 3.820 -2.291 1.00 0.00 H new ATOM 359 N THR A 19 1.914 3.111 -8.360 1.00 0.00 N ATOM 360 CA THR A 19 1.629 2.097 -9.389 1.00 0.00 C ATOM 361 C THR A 19 1.563 0.711 -8.741 1.00 0.00 C ATOM 362 O THR A 19 1.947 0.547 -7.579 1.00 0.00 O ATOM 363 CB THR A 19 2.652 2.134 -10.525 1.00 0.00 C ATOM 364 OG1 THR A 19 3.963 2.056 -10.021 1.00 0.00 O ATOM 365 CG2 THR A 19 2.519 3.402 -11.366 1.00 0.00 C ATOM 0 H THR A 19 2.697 2.846 -7.762 1.00 0.00 H new ATOM 0 HA THR A 19 0.661 2.324 -9.837 1.00 0.00 H new ATOM 0 HB THR A 19 2.450 1.270 -11.158 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.473 2.841 -10.312 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.263 3.390 -12.162 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.521 3.446 -11.802 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.678 4.276 -10.734 1.00 0.00 H new ATOM 373 N VAL A 20 1.006 -0.274 -9.452 1.00 0.00 N ATOM 374 CA VAL A 20 0.788 -1.636 -8.916 1.00 0.00 C ATOM 375 C VAL A 20 0.928 -2.748 -9.957 1.00 0.00 C ATOM 376 O VAL A 20 1.157 -3.894 -9.589 1.00 0.00 O ATOM 377 CB VAL A 20 -0.581 -1.713 -8.206 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.769 -1.750 -9.172 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.694 -2.892 -7.234 1.00 0.00 C ATOM 0 H VAL A 20 0.691 -0.158 -10.415 1.00 0.00 H new ATOM 0 HA VAL A 20 1.587 -1.813 -8.197 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.627 -0.785 -7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.698 -1.804 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.769 -0.848 -9.783 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.687 -2.625 -9.817 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.680 -2.887 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.553 -3.826 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.071 -2.802 -6.463 1.00 0.00 H new ATOM 389 N GLU A 21 0.814 -2.439 -11.249 1.00 0.00 N ATOM 390 CA GLU A 21 0.999 -3.436 -12.311 1.00 0.00 C ATOM 391 C GLU A 21 2.472 -3.613 -12.730 1.00 0.00 C ATOM 392 O GLU A 21 3.366 -2.835 -12.371 1.00 0.00 O ATOM 393 CB GLU A 21 0.102 -3.145 -13.523 1.00 0.00 C ATOM 394 CG GLU A 21 -1.397 -3.214 -13.172 1.00 0.00 C ATOM 395 CD GLU A 21 -2.274 -3.452 -14.415 1.00 0.00 C ATOM 396 OE1 GLU A 21 -1.967 -4.433 -15.130 1.00 0.00 O ATOM 397 OE2 GLU A 21 -3.239 -2.681 -14.618 1.00 0.00 O ATOM 0 H GLU A 21 0.594 -1.503 -11.589 1.00 0.00 H new ATOM 0 HA GLU A 21 0.689 -4.389 -11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.336 -2.155 -13.916 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.321 -3.862 -14.314 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.564 -4.016 -12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.699 -2.285 -12.689 1.00 0.00 H new ATOM 440 N PRO A 25 5.949 2.648 -13.556 1.00 0.00 N ATOM 441 CA PRO A 25 7.066 3.323 -12.889 1.00 0.00 C ATOM 442 C PRO A 25 6.699 3.800 -11.475 1.00 0.00 C ATOM 443 O PRO A 25 5.523 3.940 -11.128 1.00 0.00 O ATOM 444 CB PRO A 25 7.425 4.498 -13.807 1.00 0.00 C ATOM 445 CG PRO A 25 6.099 4.830 -14.489 1.00 0.00 C ATOM 446 CD PRO A 25 5.442 3.460 -14.652 1.00 0.00 C ATOM 0 HA PRO A 25 7.908 2.647 -12.742 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.810 5.347 -13.242 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.192 4.223 -14.531 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.490 5.500 -13.882 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.252 5.321 -15.450 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.356 3.539 -14.611 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.693 3.017 -15.616 1.00 0.00 H new ATOM 454 N HIS A 26 7.700 4.097 -10.648 1.00 0.00 N ATOM 455 CA HIS A 26 7.493 4.846 -9.404 1.00 0.00 C ATOM 456 C HIS A 26 7.066 6.296 -9.702 1.00 0.00 C ATOM 457 O HIS A 26 7.296 6.800 -10.804 1.00 0.00 O ATOM 458 CB HIS A 26 8.780 4.835 -8.576 1.00 0.00 C ATOM 459 CG HIS A 26 9.478 3.501 -8.517 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.921 2.300 -8.135 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.779 3.266 -8.870 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.882 1.365 -8.225 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.014 1.907 -8.687 1.00 0.00 N ATOM 0 H HIS A 26 8.670 3.829 -10.816 1.00 0.00 H new ATOM 0 HA HIS A 26 6.695 4.367 -8.837 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.468 5.572 -8.989 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.545 5.152 -7.560 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.490 3.998 -9.224 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.758 0.325 -7.962 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.888 1.415 -8.871 1.00 0.00 H new ATOM 471 N LYS A 27 6.444 6.979 -8.733 1.00 0.00 N ATOM 472 CA LYS A 27 5.867 8.320 -8.921 1.00 0.00 C ATOM 473 C LYS A 27 6.042 9.188 -7.661 1.00 0.00 C ATOM 474 O LYS A 27 7.171 9.510 -7.295 1.00 0.00 O ATOM 475 CB LYS A 27 4.417 8.105 -9.404 1.00 0.00 C ATOM 476 CG LYS A 27 3.751 9.359 -9.983 1.00 0.00 C ATOM 477 CD LYS A 27 2.236 9.133 -10.066 1.00 0.00 C ATOM 478 CE LYS A 27 1.557 10.319 -10.752 1.00 0.00 C ATOM 479 NZ LYS A 27 0.084 10.195 -10.669 1.00 0.00 N ATOM 0 H LYS A 27 6.325 6.615 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 27 6.387 8.904 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.412 7.322 -10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.818 7.743 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.968 10.223 -9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.153 9.575 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.028 8.217 -10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.826 9.001 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.876 11.249 -10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.865 10.367 -11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.360 10.932 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.206 9.258 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.219 10.308 -9.680 1.00 0.00 H new ATOM 493 N VAL A 28 4.945 9.525 -6.976 1.00 0.00 N ATOM 494 CA VAL A 28 4.943 10.225 -5.679 1.00 0.00 C ATOM 495 C VAL A 28 5.352 9.267 -4.558 1.00 0.00 C ATOM 496 O VAL A 28 6.074 9.667 -3.650 1.00 0.00 O ATOM 497 CB VAL A 28 3.564 10.838 -5.374 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.577 11.697 -4.103 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.053 11.716 -6.524 1.00 0.00 C ATOM 0 H VAL A 28 4.006 9.315 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 28 5.668 11.037 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 28 2.900 9.985 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.582 12.107 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.869 11.082 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.290 12.513 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.077 12.126 -6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.755 12.532 -6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.963 11.115 -7.429 1.00 0.00 H new ATOM 509 N GLY A 29 4.956 7.993 -4.662 1.00 0.00 N ATOM 510 CA GLY A 29 5.497 6.872 -3.895 1.00 0.00 C ATOM 511 C GLY A 29 6.079 5.774 -4.804 1.00 0.00 C ATOM 512 O GLY A 29 6.154 5.949 -6.027 1.00 0.00 O ATOM 0 H GLY A 29 4.221 7.707 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.275 7.235 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.710 6.447 -3.272 1.00 0.00 H new ATOM 516 N PRO A 30 6.505 4.638 -4.223 1.00 0.00 N ATOM 517 CA PRO A 30 7.030 3.500 -4.979 1.00 0.00 C ATOM 518 C PRO A 30 5.961 2.766 -5.820 1.00 0.00 C ATOM 519 O PRO A 30 4.815 3.193 -5.951 1.00 0.00 O ATOM 520 CB PRO A 30 7.704 2.612 -3.921 1.00 0.00 C ATOM 521 CG PRO A 30 6.945 2.913 -2.634 1.00 0.00 C ATOM 522 CD PRO A 30 6.596 4.389 -2.789 1.00 0.00 C ATOM 0 HA PRO A 30 7.738 3.819 -5.744 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.635 1.557 -4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.764 2.847 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.053 2.294 -2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.558 2.732 -1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.653 4.620 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.359 5.019 -2.332 1.00 0.00 H new ATOM 530 N ASN A 31 6.362 1.645 -6.425 1.00 0.00 N ATOM 531 CA ASN A 31 5.431 0.642 -6.955 1.00 0.00 C ATOM 532 C ASN A 31 5.065 -0.350 -5.818 1.00 0.00 C ATOM 533 O ASN A 31 5.852 -0.526 -4.890 1.00 0.00 O ATOM 534 CB ASN A 31 6.110 -0.024 -8.172 1.00 0.00 C ATOM 535 CG ASN A 31 5.176 -0.907 -8.981 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.317 -1.598 -8.473 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.280 -0.944 -10.280 1.00 0.00 N ATOM 0 H ASN A 31 7.344 1.406 -6.562 1.00 0.00 H new ATOM 0 HA ASN A 31 4.491 1.075 -7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.516 0.752 -8.821 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.953 -0.622 -7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.654 -1.537 -10.825 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.987 -0.380 -10.751 1.00 0.00 H new ATOM 544 N LEU A 32 3.887 -0.973 -5.854 1.00 0.00 N ATOM 545 CA LEU A 32 3.410 -1.938 -4.855 1.00 0.00 C ATOM 546 C LEU A 32 3.449 -3.413 -5.332 1.00 0.00 C ATOM 547 O LEU A 32 3.158 -4.328 -4.564 1.00 0.00 O ATOM 548 CB LEU A 32 2.010 -1.496 -4.393 1.00 0.00 C ATOM 549 CG LEU A 32 1.917 -0.061 -3.831 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.499 0.182 -3.309 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.894 0.203 -2.681 1.00 0.00 C ATOM 0 H LEU A 32 3.213 -0.817 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 32 4.098 -1.930 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.324 -1.582 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.663 -2.190 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 32 2.174 0.612 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.426 1.194 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.214 0.061 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.274 -0.536 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.777 1.229 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.686 -0.485 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.916 0.053 -3.030 1.00 0.00 H new ATOM 563 N HIS A 33 3.847 -3.657 -6.587 1.00 0.00 N ATOM 564 CA HIS A 33 4.003 -4.973 -7.207 1.00 0.00 C ATOM 565 C HIS A 33 5.144 -5.779 -6.567 1.00 0.00 C ATOM 566 O HIS A 33 6.308 -5.639 -6.941 1.00 0.00 O ATOM 567 CB HIS A 33 4.216 -4.829 -8.724 1.00 0.00 C ATOM 568 CG HIS A 33 3.799 -6.085 -9.434 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.512 -6.352 -9.816 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.540 -7.218 -9.644 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.459 -7.618 -10.234 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.674 -8.193 -10.160 1.00 0.00 N ATOM 0 H HIS A 33 4.081 -2.899 -7.229 1.00 0.00 H new ATOM 0 HA HIS A 33 3.082 -5.530 -7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.640 -3.983 -9.100 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.265 -4.618 -8.932 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.730 -5.698 -9.786 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.595 -7.338 -9.448 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.565 -8.113 -10.583 1.00 0.00 H new ATOM 580 N GLY A 34 4.803 -6.622 -5.594 1.00 0.00 N ATOM 581 CA GLY A 34 5.749 -7.467 -4.854 1.00 0.00 C ATOM 582 C GLY A 34 6.040 -7.021 -3.414 1.00 0.00 C ATOM 583 O GLY A 34 7.011 -7.496 -2.825 1.00 0.00 O ATOM 0 H GLY A 34 3.837 -6.742 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.359 -8.485 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.689 -7.499 -5.404 1.00 0.00 H new ATOM 587 N ILE A 35 5.234 -6.115 -2.841 1.00 0.00 N ATOM 588 CA ILE A 35 5.349 -5.725 -1.423 1.00 0.00 C ATOM 589 C ILE A 35 5.051 -6.882 -0.458 1.00 0.00 C ATOM 590 O ILE A 35 5.816 -7.095 0.476 1.00 0.00 O ATOM 591 CB ILE A 35 4.513 -4.466 -1.085 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.000 -4.550 -1.414 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.161 -3.250 -1.766 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.130 -4.822 -0.182 1.00 0.00 C ATOM 0 H ILE A 35 4.487 -5.633 -3.342 1.00 0.00 H new ATOM 0 HA ILE A 35 6.396 -5.461 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 35 4.531 -4.372 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.683 -3.615 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.837 -5.340 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.583 -2.354 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.180 -3.128 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.180 -3.404 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.082 -4.869 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.423 -5.771 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.265 -4.020 0.543 1.00 0.00 H new ATOM 606 N PHE A 36 3.962 -7.630 -0.672 1.00 0.00 N ATOM 607 CA PHE A 36 3.497 -8.729 0.174 1.00 0.00 C ATOM 608 C PHE A 36 4.597 -9.767 0.401 1.00 0.00 C ATOM 609 O PHE A 36 5.255 -10.235 -0.522 1.00 0.00 O ATOM 610 CB PHE A 36 2.223 -9.372 -0.399 1.00 0.00 C ATOM 611 CG PHE A 36 0.952 -8.588 -0.119 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.449 -8.519 1.195 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.259 -7.945 -1.162 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.731 -7.806 1.470 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.929 -7.243 -0.889 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.429 -7.178 0.424 1.00 0.00 C ATOM 0 H PHE A 36 3.355 -7.476 -1.477 1.00 0.00 H new ATOM 0 HA PHE A 36 3.244 -8.310 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.338 -9.483 -1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.117 -10.375 0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.974 -9.017 1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.639 -7.991 -2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.100 -7.741 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.460 -6.752 -1.691 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.347 -6.647 0.628 1.00 0.00 H new ATOM 626 N GLY A 37 4.805 -10.104 1.667 1.00 0.00 N ATOM 627 CA GLY A 37 5.861 -11.002 2.135 1.00 0.00 C ATOM 628 C GLY A 37 7.273 -10.406 2.096 1.00 0.00 C ATOM 629 O GLY A 37 8.193 -10.996 2.660 1.00 0.00 O ATOM 0 H GLY A 37 4.224 -9.749 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.636 -11.303 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.846 -11.906 1.527 1.00 0.00 H new ATOM 633 N ARG A 38 7.482 -9.238 1.476 1.00 0.00 N ATOM 634 CA ARG A 38 8.700 -8.436 1.644 1.00 0.00 C ATOM 635 C ARG A 38 8.645 -7.658 2.957 1.00 0.00 C ATOM 636 O ARG A 38 7.596 -7.555 3.587 1.00 0.00 O ATOM 637 CB ARG A 38 8.864 -7.465 0.452 1.00 0.00 C ATOM 638 CG ARG A 38 10.296 -7.443 -0.089 1.00 0.00 C ATOM 639 CD ARG A 38 10.556 -8.670 -0.970 1.00 0.00 C ATOM 640 NE ARG A 38 11.999 -8.876 -1.215 1.00 0.00 N ATOM 641 CZ ARG A 38 12.595 -10.030 -1.458 1.00 0.00 C ATOM 642 NH1 ARG A 38 11.926 -11.151 -1.476 1.00 0.00 N ATOM 643 NH2 ARG A 38 13.880 -10.090 -1.656 1.00 0.00 N ATOM 0 H ARG A 38 6.805 -8.820 0.838 1.00 0.00 H new ATOM 0 HA ARG A 38 9.560 -9.105 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.181 -7.755 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.581 -6.460 0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.459 -6.533 -0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.004 -7.426 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.139 -9.556 -0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.040 -8.549 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 38 12.592 -8.047 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.921 -11.148 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.408 -12.030 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.441 -9.239 -1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.326 -10.988 -1.842 1.00 0.00 H new ATOM 657 N HIS A 39 9.777 -7.077 3.333 1.00 0.00 N ATOM 658 CA HIS A 39 9.835 -6.052 4.370 1.00 0.00 C ATOM 659 C HIS A 39 9.752 -4.676 3.707 1.00 0.00 C ATOM 660 O HIS A 39 10.265 -4.505 2.599 1.00 0.00 O ATOM 661 CB HIS A 39 11.111 -6.209 5.211 1.00 0.00 C ATOM 662 CG HIS A 39 11.119 -7.485 6.013 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.979 -8.553 5.872 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.241 -7.793 7.014 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.613 -9.489 6.767 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.555 -9.072 7.473 1.00 0.00 N ATOM 0 H HIS A 39 10.685 -7.303 2.927 1.00 0.00 H new ATOM 0 HA HIS A 39 8.992 -6.161 5.053 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.980 -6.191 4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.204 -5.358 5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.447 -7.160 7.383 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.104 -10.442 6.897 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.071 -9.590 8.206 1.00 0.00 H new ATOM 674 N SER A 40 9.127 -3.706 4.374 1.00 0.00 N ATOM 675 CA SER A 40 9.001 -2.327 3.894 1.00 0.00 C ATOM 676 C SER A 40 10.346 -1.690 3.533 1.00 0.00 C ATOM 677 O SER A 40 11.391 -2.080 4.068 1.00 0.00 O ATOM 678 CB SER A 40 8.248 -1.496 4.935 1.00 0.00 C ATOM 679 OG SER A 40 8.995 -1.367 6.127 1.00 0.00 O ATOM 0 H SER A 40 8.685 -3.858 5.281 1.00 0.00 H new ATOM 0 HA SER A 40 8.432 -2.349 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.034 -0.507 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.289 -1.965 5.153 1.00 0.00 H new ATOM 0 HG SER A 40 9.425 -0.487 6.150 1.00 0.00 H new ATOM 685 N GLY A 41 10.314 -0.714 2.619 1.00 0.00 N ATOM 686 CA GLY A 41 11.517 -0.036 2.121 1.00 0.00 C ATOM 687 C GLY A 41 12.306 -0.808 1.050 1.00 0.00 C ATOM 688 O GLY A 41 13.533 -0.780 1.079 1.00 0.00 O ATOM 0 H GLY A 41 9.449 -0.370 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.226 0.930 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.178 0.163 2.964 1.00 0.00 H new ATOM 692 N GLN A 42 11.644 -1.524 0.125 1.00 0.00 N ATOM 693 CA GLN A 42 12.301 -2.428 -0.847 1.00 0.00 C ATOM 694 C GLN A 42 11.982 -2.215 -2.347 1.00 0.00 C ATOM 695 O GLN A 42 12.331 -3.070 -3.161 1.00 0.00 O ATOM 696 CB GLN A 42 12.130 -3.897 -0.400 1.00 0.00 C ATOM 697 CG GLN A 42 13.009 -4.190 0.823 1.00 0.00 C ATOM 698 CD GLN A 42 13.211 -5.677 1.111 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.300 -6.543 0.245 1.00 0.00 O ATOM 700 NE2 GLN A 42 13.351 -6.040 2.364 1.00 0.00 N ATOM 0 H GLN A 42 10.629 -1.494 0.026 1.00 0.00 H new ATOM 0 HA GLN A 42 13.354 -2.147 -0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.085 -4.091 -0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.399 -4.566 -1.217 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.984 -3.725 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.561 -3.720 1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.283 -5.345 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.528 -7.018 2.595 1.00 0.00 H new ATOM 741 N TYR A 46 14.723 3.495 -5.548 1.00 0.00 N ATOM 742 CA TYR A 46 13.820 4.579 -5.131 1.00 0.00 C ATOM 743 C TYR A 46 14.092 5.112 -3.707 1.00 0.00 C ATOM 744 O TYR A 46 14.240 4.361 -2.743 1.00 0.00 O ATOM 745 CB TYR A 46 12.373 4.140 -5.375 1.00 0.00 C ATOM 746 CG TYR A 46 11.392 5.286 -5.266 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.910 5.649 -4.004 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.000 6.012 -6.411 1.00 0.00 C ATOM 749 CE1 TYR A 46 9.977 6.695 -3.876 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.069 7.060 -6.292 1.00 0.00 C ATOM 751 CZ TYR A 46 9.546 7.390 -5.021 1.00 0.00 C ATOM 752 OH TYR A 46 8.625 8.376 -4.895 1.00 0.00 O ATOM 0 HA TYR A 46 14.020 5.454 -5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.295 3.693 -6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.105 3.367 -4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.255 5.125 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.414 5.763 -7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.593 6.963 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.756 7.610 -7.167 1.00 0.00 H new ATOM 0 HH TYR A 46 8.267 8.604 -5.778 1.00 0.00 H new ATOM 762 N SER A 47 14.177 6.440 -3.572 1.00 0.00 N ATOM 763 CA SER A 47 14.600 7.146 -2.349 1.00 0.00 C ATOM 764 C SER A 47 13.497 7.269 -1.279 1.00 0.00 C ATOM 765 O SER A 47 12.799 8.283 -1.185 1.00 0.00 O ATOM 766 CB SER A 47 15.156 8.528 -2.714 1.00 0.00 C ATOM 767 OG SER A 47 16.261 8.387 -3.593 1.00 0.00 O ATOM 0 H SER A 47 13.946 7.078 -4.334 1.00 0.00 H new ATOM 0 HA SER A 47 15.379 6.535 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.379 9.129 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.463 9.056 -1.811 1.00 0.00 H new ATOM 0 HG SER A 47 16.611 9.273 -3.824 1.00 0.00 H new ATOM 773 N TYR A 48 13.342 6.228 -0.457 1.00 0.00 N ATOM 774 CA TYR A 48 12.421 6.177 0.692 1.00 0.00 C ATOM 775 C TYR A 48 12.731 7.198 1.808 1.00 0.00 C ATOM 776 O TYR A 48 13.807 7.792 1.880 1.00 0.00 O ATOM 777 CB TYR A 48 12.450 4.760 1.291 1.00 0.00 C ATOM 778 CG TYR A 48 11.642 3.727 0.538 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.229 2.992 -0.505 1.00 0.00 C ATOM 780 CD2 TYR A 48 10.309 3.475 0.916 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.483 2.004 -1.171 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.576 2.453 0.280 1.00 0.00 C ATOM 783 CZ TYR A 48 10.171 1.702 -0.755 1.00 0.00 C ATOM 784 OH TYR A 48 9.494 0.686 -1.347 1.00 0.00 O ATOM 0 H TYR A 48 13.871 5.364 -0.574 1.00 0.00 H new ATOM 0 HA TYR A 48 11.436 6.439 0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.486 4.424 1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.083 4.808 2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.251 3.185 -0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.848 4.065 1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.918 1.474 -2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.561 2.245 0.585 1.00 0.00 H new ATOM 0 HH TYR A 48 8.604 0.608 -0.944 1.00 0.00 H new ATOM 794 N THR A 49 11.785 7.368 2.735 1.00 0.00 N ATOM 795 CA THR A 49 12.039 7.867 4.096 1.00 0.00 C ATOM 796 C THR A 49 12.711 6.806 4.970 1.00 0.00 C ATOM 797 O THR A 49 12.338 5.630 4.952 1.00 0.00 O ATOM 798 CB THR A 49 10.752 8.312 4.819 1.00 0.00 C ATOM 799 OG1 THR A 49 9.793 7.284 4.936 1.00 0.00 O ATOM 800 CG2 THR A 49 10.088 9.484 4.113 1.00 0.00 C ATOM 0 H THR A 49 10.802 7.160 2.561 1.00 0.00 H new ATOM 0 HA THR A 49 12.696 8.727 3.963 1.00 0.00 H new ATOM 0 HB THR A 49 11.082 8.601 5.817 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.263 7.422 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.184 9.769 4.652 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.776 10.329 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.827 9.195 3.095 1.00 0.00 H new ATOM 808 N ASP A 50 13.634 7.246 5.828 1.00 0.00 N ATOM 809 CA ASP A 50 14.231 6.400 6.868 1.00 0.00 C ATOM 810 C ASP A 50 13.162 5.770 7.777 1.00 0.00 C ATOM 811 O ASP A 50 13.265 4.599 8.117 1.00 0.00 O ATOM 812 CB ASP A 50 15.249 7.226 7.669 1.00 0.00 C ATOM 813 CG ASP A 50 16.075 6.363 8.626 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.664 5.349 8.197 1.00 0.00 O ATOM 815 OD2 ASP A 50 16.172 6.679 9.829 1.00 0.00 O ATOM 0 H ASP A 50 13.991 8.202 5.822 1.00 0.00 H new ATOM 0 HA ASP A 50 14.750 5.568 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.918 7.742 6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.724 7.993 8.237 1.00 0.00 H new ATOM 820 N ALA A 51 12.088 6.502 8.094 1.00 0.00 N ATOM 821 CA ALA A 51 10.962 6.026 8.897 1.00 0.00 C ATOM 822 C ALA A 51 10.286 4.748 8.350 1.00 0.00 C ATOM 823 O ALA A 51 9.882 3.895 9.142 1.00 0.00 O ATOM 824 CB ALA A 51 9.963 7.182 9.041 1.00 0.00 C ATOM 0 H ALA A 51 11.978 7.469 7.789 1.00 0.00 H new ATOM 0 HA ALA A 51 11.345 5.723 9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.111 6.855 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.449 8.024 9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.618 7.490 8.054 1.00 0.00 H new ATOM 830 N ASN A 52 10.164 4.589 7.022 1.00 0.00 N ATOM 831 CA ASN A 52 9.627 3.365 6.406 1.00 0.00 C ATOM 832 C ASN A 52 10.669 2.227 6.298 1.00 0.00 C ATOM 833 O ASN A 52 10.348 1.052 6.497 1.00 0.00 O ATOM 834 CB ASN A 52 8.998 3.717 5.045 1.00 0.00 C ATOM 835 CG ASN A 52 8.184 2.558 4.484 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.671 1.725 5.207 1.00 0.00 O ATOM 837 ND2 ASN A 52 8.004 2.475 3.191 1.00 0.00 N ATOM 0 H ASN A 52 10.434 5.304 6.347 1.00 0.00 H new ATOM 0 HA ASN A 52 8.854 2.967 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.357 4.592 5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.784 3.985 4.339 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.440 1.719 2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.428 3.166 2.572 1.00 0.00 H new ATOM 844 N ILE A 53 11.936 2.574 6.053 1.00 0.00 N ATOM 845 CA ILE A 53 13.065 1.628 6.075 1.00 0.00 C ATOM 846 C ILE A 53 13.212 1.016 7.470 1.00 0.00 C ATOM 847 O ILE A 53 13.024 -0.181 7.646 1.00 0.00 O ATOM 848 CB ILE A 53 14.368 2.309 5.609 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.255 2.806 4.148 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.575 1.358 5.739 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.379 3.773 3.745 1.00 0.00 C ATOM 0 H ILE A 53 12.214 3.530 5.831 1.00 0.00 H new ATOM 0 HA ILE A 53 12.859 0.820 5.373 1.00 0.00 H new ATOM 0 HB ILE A 53 14.526 3.169 6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.267 1.947 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.294 3.302 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.478 1.868 5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.693 1.060 6.781 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.408 0.473 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.239 4.082 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.354 4.650 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.343 3.274 3.847 1.00 0.00 H new ATOM 863 N LYS A 54 13.441 1.848 8.491 1.00 0.00 N ATOM 864 CA LYS A 54 13.496 1.495 9.922 1.00 0.00 C ATOM 865 C LYS A 54 12.228 0.803 10.436 1.00 0.00 C ATOM 866 O LYS A 54 12.227 0.312 11.563 1.00 0.00 O ATOM 867 CB LYS A 54 13.771 2.756 10.753 1.00 0.00 C ATOM 868 CG LYS A 54 15.134 3.384 10.439 1.00 0.00 C ATOM 869 CD LYS A 54 16.327 2.661 11.081 1.00 0.00 C ATOM 870 CE LYS A 54 17.664 3.156 10.509 1.00 0.00 C ATOM 871 NZ LYS A 54 17.806 4.631 10.573 1.00 0.00 N ATOM 0 H LYS A 54 13.603 2.843 8.337 1.00 0.00 H new ATOM 0 HA LYS A 54 14.306 0.774 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.986 3.488 10.565 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.726 2.505 11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.273 3.400 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.129 4.421 10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.311 2.819 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.235 1.588 10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.483 2.693 11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.753 2.832 9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.792 5.023 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.019 5.032 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.707 4.873 11.033 1.00 0.00 H new ATOM 885 N LYS A 55 11.152 0.767 9.640 1.00 0.00 N ATOM 886 CA LYS A 55 9.951 0.002 9.972 1.00 0.00 C ATOM 887 C LYS A 55 10.077 -1.485 9.655 1.00 0.00 C ATOM 888 O LYS A 55 9.440 -2.255 10.363 1.00 0.00 O ATOM 889 CB LYS A 55 8.710 0.611 9.289 1.00 0.00 C ATOM 890 CG LYS A 55 7.582 0.793 10.313 1.00 0.00 C ATOM 891 CD LYS A 55 7.902 1.947 11.290 1.00 0.00 C ATOM 892 CE LYS A 55 7.617 1.589 12.753 1.00 0.00 C ATOM 893 NZ LYS A 55 6.177 1.344 12.997 1.00 0.00 N ATOM 0 H LYS A 55 11.093 1.266 8.752 1.00 0.00 H new ATOM 0 HA LYS A 55 9.829 0.072 11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.966 1.572 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.376 -0.038 8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.645 0.999 9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.440 -0.132 10.871 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.952 2.223 11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.314 2.823 11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.187 0.701 13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.961 2.398 13.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.016 1.206 14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.625 2.161 12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.877 0.493 12.480 1.00 0.00 H new ATOM 907 N ASN A 56 10.841 -1.844 8.610 1.00 0.00 N ATOM 908 CA ASN A 56 10.928 -3.160 7.956 1.00 0.00 C ATOM 909 C ASN A 56 9.709 -4.060 8.249 1.00 0.00 C ATOM 910 O ASN A 56 9.825 -5.172 8.756 1.00 0.00 O ATOM 911 CB ASN A 56 12.301 -3.808 8.247 1.00 0.00 C ATOM 912 CG ASN A 56 13.484 -3.206 7.491 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.585 -3.108 8.008 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.355 -2.850 6.230 1.00 0.00 N ATOM 0 H ASN A 56 11.463 -1.168 8.166 1.00 0.00 H new ATOM 0 HA ASN A 56 10.877 -3.018 6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.499 -3.734 9.316 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.241 -4.870 8.007 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.163 -2.504 5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.447 -2.921 5.770 1.00 0.00 H new ATOM 921 N VAL A 57 8.518 -3.552 7.915 1.00 0.00 N ATOM 922 CA VAL A 57 7.239 -4.233 8.117 1.00 0.00 C ATOM 923 C VAL A 57 7.086 -5.336 7.089 1.00 0.00 C ATOM 924 O VAL A 57 7.139 -5.079 5.889 1.00 0.00 O ATOM 925 CB VAL A 57 6.056 -3.233 8.111 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.874 -3.566 7.197 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.526 -3.114 9.540 1.00 0.00 C ATOM 0 H VAL A 57 8.417 -2.632 7.486 1.00 0.00 H new ATOM 0 HA VAL A 57 7.227 -4.694 9.104 1.00 0.00 H new ATOM 0 HB VAL A 57 6.474 -2.310 7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.115 -2.789 7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.217 -3.622 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.447 -4.525 7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.691 -2.414 9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.189 -4.091 9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.320 -2.752 10.193 1.00 0.00 H new ATOM 937 N LEU A 58 6.915 -6.568 7.564 1.00 0.00 N ATOM 938 CA LEU A 58 6.553 -7.698 6.717 1.00 0.00 C ATOM 939 C LEU A 58 5.120 -7.491 6.220 1.00 0.00 C ATOM 940 O LEU A 58 4.173 -7.615 6.996 1.00 0.00 O ATOM 941 CB LEU A 58 6.775 -9.032 7.452 1.00 0.00 C ATOM 942 CG LEU A 58 6.808 -10.241 6.489 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.557 -11.405 7.141 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.409 -10.741 6.116 1.00 0.00 C ATOM 0 H LEU A 58 7.024 -6.809 8.549 1.00 0.00 H new ATOM 0 HA LEU A 58 7.201 -7.750 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.713 -8.987 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.980 -9.176 8.184 1.00 0.00 H new ATOM 0 HG LEU A 58 7.308 -9.898 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.577 -12.254 6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.578 -11.099 7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.051 -11.693 8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.495 -11.590 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.880 -11.049 7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.855 -9.940 5.626 1.00 0.00 H new ATOM 956 N TRP A 59 4.968 -7.103 4.958 1.00 0.00 N ATOM 957 CA TRP A 59 3.668 -6.806 4.363 1.00 0.00 C ATOM 958 C TRP A 59 2.783 -8.052 4.306 1.00 0.00 C ATOM 959 O TRP A 59 3.065 -9.003 3.582 1.00 0.00 O ATOM 960 CB TRP A 59 3.853 -6.178 2.985 1.00 0.00 C ATOM 961 CG TRP A 59 4.472 -4.815 3.001 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.654 -4.456 2.452 1.00 0.00 C ATOM 963 CD2 TRP A 59 3.964 -3.624 3.672 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.892 -3.116 2.711 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.924 -2.582 3.523 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.818 -3.345 4.438 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.778 -1.336 4.152 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.658 -2.100 5.073 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.635 -1.096 4.932 1.00 0.00 C ATOM 0 H TRP A 59 5.750 -6.985 4.313 1.00 0.00 H new ATOM 0 HA TRP A 59 3.153 -6.084 4.997 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.474 -6.838 2.380 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.881 -6.116 2.495 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.310 -5.111 1.898 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.687 -2.593 2.344 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.050 -4.097 4.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.534 -0.573 4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.780 -1.913 5.673 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.506 -0.143 5.423 1.00 0.00 H new ATOM 980 N ASP A 60 1.716 -8.037 5.094 1.00 0.00 N ATOM 981 CA ASP A 60 0.777 -9.136 5.361 1.00 0.00 C ATOM 982 C ASP A 60 -0.669 -8.587 5.380 1.00 0.00 C ATOM 983 O ASP A 60 -0.859 -7.377 5.341 1.00 0.00 O ATOM 984 CB ASP A 60 1.217 -9.794 6.683 1.00 0.00 C ATOM 985 CG ASP A 60 0.059 -10.300 7.525 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.527 -11.331 7.135 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.335 -9.564 8.457 1.00 0.00 O ATOM 0 H ASP A 60 1.458 -7.194 5.606 1.00 0.00 H new ATOM 0 HA ASP A 60 0.789 -9.899 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.884 -10.627 6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.791 -9.073 7.265 1.00 0.00 H new ATOM 992 N GLU A 61 -1.694 -9.439 5.414 1.00 0.00 N ATOM 993 CA GLU A 61 -3.110 -9.040 5.404 1.00 0.00 C ATOM 994 C GLU A 61 -3.549 -8.298 6.677 1.00 0.00 C ATOM 995 O GLU A 61 -4.111 -7.204 6.566 1.00 0.00 O ATOM 996 CB GLU A 61 -4.033 -10.225 5.058 1.00 0.00 C ATOM 997 CG GLU A 61 -4.065 -11.413 6.037 1.00 0.00 C ATOM 998 CD GLU A 61 -5.323 -11.482 6.915 1.00 0.00 C ATOM 999 OE1 GLU A 61 -5.681 -10.496 7.594 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -5.918 -12.578 7.043 1.00 0.00 O ATOM 0 H GLU A 61 -1.564 -10.450 5.450 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.213 -8.308 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.049 -9.842 4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.740 -10.604 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.984 -12.339 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.189 -11.358 6.683 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.223 -8.816 7.867 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.465 -8.123 9.132 1.00 0.00 C ATOM 1009 C ASN A 62 -2.634 -6.830 9.173 1.00 0.00 C ATOM 1010 O ASN A 62 -3.178 -5.738 9.342 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.108 -9.041 10.330 1.00 0.00 C ATOM 1012 CG ASN A 62 -4.241 -9.894 10.866 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -4.135 -11.105 10.983 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -5.330 -9.289 11.275 1.00 0.00 N ATOM 0 H ASN A 62 -2.783 -9.730 7.977 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.522 -7.869 9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.293 -9.699 10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.731 -8.418 11.141 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.088 -9.830 11.691 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.419 -8.278 11.177 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.318 -6.960 9.018 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.337 -5.896 9.207 1.00 0.00 C ATOM 1023 C ASN A 63 -0.469 -4.752 8.180 1.00 0.00 C ATOM 1024 O ASN A 63 -0.420 -3.579 8.557 1.00 0.00 O ATOM 1025 CB ASN A 63 1.039 -6.585 9.181 1.00 0.00 C ATOM 1026 CG ASN A 63 2.203 -5.707 9.597 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.094 -4.743 10.343 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.383 -6.030 9.131 1.00 0.00 N ATOM 0 H ASN A 63 -0.890 -7.845 8.746 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.497 -5.387 10.157 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.006 -7.454 9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.224 -6.955 8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.202 -5.480 9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.484 -6.832 8.509 1.00 0.00 H new ATOM 1035 N MET A 64 -0.684 -5.048 6.891 1.00 0.00 N ATOM 1036 CA MET A 64 -0.984 -4.015 5.893 1.00 0.00 C ATOM 1037 C MET A 64 -2.349 -3.367 6.145 1.00 0.00 C ATOM 1038 O MET A 64 -2.466 -2.156 5.993 1.00 0.00 O ATOM 1039 CB MET A 64 -0.921 -4.574 4.466 1.00 0.00 C ATOM 1040 CG MET A 64 -0.920 -3.475 3.403 1.00 0.00 C ATOM 1041 SD MET A 64 -1.222 -4.096 1.733 1.00 0.00 S ATOM 1042 CE MET A 64 -0.510 -2.733 0.792 1.00 0.00 C ATOM 0 H MET A 64 -0.655 -5.996 6.516 1.00 0.00 H new ATOM 0 HA MET A 64 -0.217 -3.248 5.995 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.022 -5.181 4.357 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.773 -5.234 4.300 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.683 -2.737 3.652 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.040 -2.960 3.424 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.588 -2.947 -0.274 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.050 -1.813 1.018 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.539 -2.614 1.062 1.00 0.00 H new ATOM 1052 N SER A 65 -3.392 -4.114 6.527 1.00 0.00 N ATOM 1053 CA SER A 65 -4.703 -3.501 6.790 1.00 0.00 C ATOM 1054 C SER A 65 -4.725 -2.628 8.054 1.00 0.00 C ATOM 1055 O SER A 65 -5.506 -1.675 8.118 1.00 0.00 O ATOM 1056 CB SER A 65 -5.790 -4.572 6.852 1.00 0.00 C ATOM 1057 OG SER A 65 -7.072 -3.970 6.802 1.00 0.00 O ATOM 0 H SER A 65 -3.358 -5.125 6.659 1.00 0.00 H new ATOM 0 HA SER A 65 -4.905 -2.830 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.674 -5.267 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.688 -5.152 7.769 1.00 0.00 H new ATOM 0 HG SER A 65 -7.762 -4.665 6.841 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.865 -2.904 9.038 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.560 -1.962 10.123 1.00 0.00 C ATOM 1065 C GLU A 66 -2.801 -0.728 9.603 1.00 0.00 C ATOM 1066 O GLU A 66 -3.247 0.397 9.825 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.795 -2.679 11.249 1.00 0.00 C ATOM 1068 CG GLU A 66 -2.299 -1.755 12.379 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.336 -0.837 13.052 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.558 -1.048 12.893 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -2.859 0.096 13.755 1.00 0.00 O ATOM 0 H GLU A 66 -3.359 -3.787 9.107 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.499 -1.595 10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.442 -3.443 11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.937 -3.194 10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.850 -2.379 13.152 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.505 -1.127 11.976 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.692 -0.902 8.866 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.975 0.220 8.233 1.00 0.00 C ATOM 1080 C TYR A 67 -1.919 1.143 7.442 1.00 0.00 C ATOM 1081 O TYR A 67 -1.994 2.335 7.715 1.00 0.00 O ATOM 1082 CB TYR A 67 0.168 -0.315 7.359 1.00 0.00 C ATOM 1083 CG TYR A 67 0.844 0.717 6.472 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.673 1.696 7.045 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.653 0.694 5.076 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.317 2.645 6.230 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.319 1.623 4.252 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.161 2.599 4.829 1.00 0.00 C ATOM 1089 OH TYR A 67 2.825 3.483 4.041 1.00 0.00 O ATOM 0 H TYR A 67 -1.270 -1.814 8.692 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.546 0.836 9.023 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.921 -0.762 8.008 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.222 -1.113 6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.816 1.720 8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.007 -0.039 4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.933 3.411 6.678 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.186 1.589 3.181 1.00 0.00 H new ATOM 0 HH TYR A 67 2.180 4.007 3.522 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.705 0.596 6.515 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.672 1.339 5.701 1.00 0.00 C ATOM 1101 C LEU A 68 -4.842 1.956 6.493 1.00 0.00 C ATOM 1102 O LEU A 68 -5.490 2.861 5.965 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.189 0.444 4.560 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.115 -0.014 3.554 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.761 -0.942 2.526 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.457 1.150 2.805 1.00 0.00 C ATOM 0 H LEU A 68 -2.688 -0.401 6.302 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.131 2.193 5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.658 -0.439 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.966 0.984 4.019 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.338 -0.520 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.008 -1.271 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.183 -1.809 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.553 -0.408 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.711 0.761 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.216 1.700 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.976 1.817 3.520 1.00 0.00 H new ATOM 1118 N THR A 69 -5.070 1.559 7.751 1.00 0.00 N ATOM 1119 CA THR A 69 -6.044 2.201 8.653 1.00 0.00 C ATOM 1120 C THR A 69 -5.601 3.617 9.040 1.00 0.00 C ATOM 1121 O THR A 69 -6.417 4.538 9.065 1.00 0.00 O ATOM 1122 CB THR A 69 -6.321 1.308 9.887 1.00 0.00 C ATOM 1123 OG1 THR A 69 -7.712 1.126 10.043 1.00 0.00 O ATOM 1124 CG2 THR A 69 -5.814 1.781 11.254 1.00 0.00 C ATOM 0 H THR A 69 -4.579 0.774 8.180 1.00 0.00 H new ATOM 0 HA THR A 69 -6.987 2.310 8.117 1.00 0.00 H new ATOM 0 HB THR A 69 -5.755 0.409 9.643 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.882 0.559 10.824 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.085 1.050 12.016 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.730 1.887 11.223 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.266 2.743 11.497 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.307 3.805 9.334 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.691 5.090 9.666 1.00 0.00 C ATOM 1134 C ASN A 70 -2.161 5.024 9.446 1.00 0.00 C ATOM 1135 O ASN A 70 -1.385 4.857 10.399 1.00 0.00 O ATOM 1136 CB ASN A 70 -4.069 5.497 11.102 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.742 6.958 11.368 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.740 7.514 10.943 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.591 7.635 12.100 1.00 0.00 N ATOM 0 H ASN A 70 -3.638 3.035 9.347 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.072 5.865 9.001 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.133 5.326 11.262 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.534 4.867 11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.413 8.617 12.311 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.430 7.180 12.460 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.695 5.152 8.193 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.296 4.894 7.861 1.00 0.00 C ATOM 1148 C PRO A 71 0.620 5.929 8.508 1.00 0.00 C ATOM 1149 O PRO A 71 1.729 5.608 8.920 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.230 4.870 6.331 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.487 5.607 5.875 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.487 5.423 7.008 1.00 0.00 C ATOM 0 HA PRO A 71 0.060 3.942 8.255 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.671 5.362 5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.211 3.848 5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.282 6.663 5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.869 5.195 4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.096 6.317 7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.170 4.600 6.797 1.00 0.00 H new ATOM 1160 N LYS A 72 0.114 7.152 8.703 1.00 0.00 N ATOM 1161 CA LYS A 72 0.777 8.264 9.393 1.00 0.00 C ATOM 1162 C LYS A 72 1.039 7.986 10.880 1.00 0.00 C ATOM 1163 O LYS A 72 2.110 8.317 11.376 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.068 9.522 9.145 1.00 0.00 C ATOM 1165 CG LYS A 72 0.656 10.823 9.515 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.151 12.056 9.079 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.131 12.262 7.553 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.493 12.278 6.961 1.00 0.00 N ATOM 0 H LYS A 72 -0.815 7.405 8.367 1.00 0.00 H new ATOM 0 HA LYS A 72 1.778 8.408 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.352 9.559 8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.990 9.451 9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.821 10.856 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.638 10.842 9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.182 11.949 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.253 12.943 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.372 13.201 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.453 11.466 7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.465 12.758 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.827 11.302 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.142 12.786 7.596 1.00 0.00 H new ATOM 1182 N LYS A 73 0.105 7.338 11.581 1.00 0.00 N ATOM 1183 CA LYS A 73 0.292 6.807 12.947 1.00 0.00 C ATOM 1184 C LYS A 73 1.312 5.674 12.953 1.00 0.00 C ATOM 1185 O LYS A 73 2.160 5.602 13.835 1.00 0.00 O ATOM 1186 CB LYS A 73 -1.081 6.367 13.494 1.00 0.00 C ATOM 1187 CG LYS A 73 -1.127 5.480 14.756 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.059 3.964 14.460 1.00 0.00 C ATOM 1189 CE LYS A 73 -1.656 3.156 15.623 1.00 0.00 C ATOM 1190 NZ LYS A 73 -1.607 1.698 15.365 1.00 0.00 N ATOM 0 H LYS A 73 -0.829 7.160 11.211 1.00 0.00 H new ATOM 0 HA LYS A 73 0.694 7.581 13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.658 7.268 13.702 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.599 5.834 12.697 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.297 5.750 15.408 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.045 5.692 15.304 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.602 3.743 13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.023 3.666 14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.110 3.381 16.539 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.690 3.462 15.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.759 1.183 16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.350 1.441 14.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.677 1.446 14.973 1.00 0.00 H new ATOM 1204 N TYR A 74 1.207 4.751 11.999 1.00 0.00 N ATOM 1205 CA TYR A 74 2.094 3.591 11.921 1.00 0.00 C ATOM 1206 C TYR A 74 3.555 3.996 11.655 1.00 0.00 C ATOM 1207 O TYR A 74 4.477 3.386 12.204 1.00 0.00 O ATOM 1208 CB TYR A 74 1.568 2.630 10.849 1.00 0.00 C ATOM 1209 CG TYR A 74 1.976 1.186 11.082 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.312 0.785 10.896 1.00 0.00 C ATOM 1211 CD2 TYR A 74 1.018 0.246 11.516 1.00 0.00 C ATOM 1212 CE1 TYR A 74 3.701 -0.534 11.192 1.00 0.00 C ATOM 1213 CE2 TYR A 74 1.395 -1.090 11.758 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.740 -1.483 11.604 1.00 0.00 C ATOM 1215 OH TYR A 74 3.131 -2.757 11.867 1.00 0.00 O ATOM 0 H TYR A 74 0.506 4.786 11.259 1.00 0.00 H new ATOM 0 HA TYR A 74 2.095 3.085 12.886 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.480 2.692 10.818 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.934 2.950 9.873 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.040 1.491 10.525 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.007 0.551 11.663 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.738 -0.822 11.104 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.653 -1.813 12.062 1.00 0.00 H new ATOM 0 HH TYR A 74 2.708 -3.368 11.228 1.00 0.00 H new ATOM 1225 N ILE A 75 3.759 5.026 10.831 1.00 0.00 N ATOM 1226 CA ILE A 75 5.048 5.568 10.393 1.00 0.00 C ATOM 1227 C ILE A 75 5.035 7.105 10.551 1.00 0.00 C ATOM 1228 O ILE A 75 4.815 7.829 9.576 1.00 0.00 O ATOM 1229 CB ILE A 75 5.380 5.106 8.949 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.130 3.594 8.749 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.846 5.470 8.654 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.604 3.023 7.410 1.00 0.00 C ATOM 0 H ILE A 75 2.976 5.538 10.425 1.00 0.00 H new ATOM 0 HA ILE A 75 5.849 5.179 11.022 1.00 0.00 H new ATOM 0 HB ILE A 75 4.718 5.616 8.249 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.627 3.051 9.553 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.061 3.403 8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.103 5.154 7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.978 6.548 8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.497 4.965 9.368 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.382 1.957 7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.089 3.531 6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.679 3.174 7.310 1.00 0.00 H new ATOM 1244 N PRO A 76 5.256 7.639 11.768 1.00 0.00 N ATOM 1245 CA PRO A 76 5.304 9.082 11.995 1.00 0.00 C ATOM 1246 C PRO A 76 6.525 9.682 11.289 1.00 0.00 C ATOM 1247 O PRO A 76 7.654 9.285 11.564 1.00 0.00 O ATOM 1248 CB PRO A 76 5.342 9.262 13.515 1.00 0.00 C ATOM 1249 CG PRO A 76 5.965 7.961 14.019 1.00 0.00 C ATOM 1250 CD PRO A 76 5.477 6.919 13.015 1.00 0.00 C ATOM 0 HA PRO A 76 4.441 9.605 11.583 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.938 10.128 13.801 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.344 9.413 13.925 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.053 8.019 14.040 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.639 7.726 15.032 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.215 6.128 12.884 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.558 6.444 13.360 1.00 0.00 H new ATOM 1258 N GLY A 77 6.303 10.592 10.336 1.00 0.00 N ATOM 1259 CA GLY A 77 7.360 11.119 9.458 1.00 0.00 C ATOM 1260 C GLY A 77 7.444 10.451 8.077 1.00 0.00 C ATOM 1261 O GLY A 77 8.320 10.804 7.288 1.00 0.00 O ATOM 0 H GLY A 77 5.382 10.988 10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.198 12.188 9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.321 11.004 9.960 1.00 0.00 H new ATOM 1265 N THR A 78 6.535 9.523 7.748 1.00 0.00 N ATOM 1266 CA THR A 78 6.372 9.010 6.376 1.00 0.00 C ATOM 1267 C THR A 78 6.076 10.123 5.370 1.00 0.00 C ATOM 1268 O THR A 78 5.312 11.047 5.652 1.00 0.00 O ATOM 1269 CB THR A 78 5.262 7.946 6.298 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.207 7.387 5.005 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.841 8.427 6.605 1.00 0.00 C ATOM 0 H THR A 78 5.892 9.106 8.422 1.00 0.00 H new ATOM 0 HA THR A 78 7.326 8.553 6.112 1.00 0.00 H new ATOM 0 HB THR A 78 5.549 7.237 7.074 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.498 6.711 4.971 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.147 7.591 6.518 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.803 8.827 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.560 9.207 5.897 1.00 0.00 H new ATOM 1279 N LYS A 79 6.602 9.979 4.145 1.00 0.00 N ATOM 1280 CA LYS A 79 6.251 10.815 2.982 1.00 0.00 C ATOM 1281 C LYS A 79 4.799 10.566 2.518 1.00 0.00 C ATOM 1282 O LYS A 79 4.227 11.405 1.828 1.00 0.00 O ATOM 1283 CB LYS A 79 7.313 10.583 1.879 1.00 0.00 C ATOM 1284 CG LYS A 79 7.274 11.573 0.701 1.00 0.00 C ATOM 1285 CD LYS A 79 8.169 11.190 -0.497 1.00 0.00 C ATOM 1286 CE LYS A 79 9.688 11.401 -0.355 1.00 0.00 C ATOM 1287 NZ LYS A 79 10.367 10.309 0.388 1.00 0.00 N ATOM 0 H LYS A 79 7.297 9.265 3.928 1.00 0.00 H new ATOM 0 HA LYS A 79 6.271 11.871 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.302 10.628 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.189 9.574 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.245 11.662 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.575 12.557 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.997 10.137 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.831 11.759 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.130 11.485 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.870 12.346 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.377 10.297 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.262 10.467 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.938 9.397 0.133 1.00 0.00 H new ATOM 1301 N MET A 80 4.166 9.457 2.929 1.00 0.00 N ATOM 1302 CA MET A 80 2.764 9.134 2.661 1.00 0.00 C ATOM 1303 C MET A 80 1.798 10.063 3.428 1.00 0.00 C ATOM 1304 O MET A 80 1.216 9.704 4.451 1.00 0.00 O ATOM 1305 CB MET A 80 2.513 7.639 2.937 1.00 0.00 C ATOM 1306 CG MET A 80 1.079 7.245 2.565 1.00 0.00 C ATOM 1307 SD MET A 80 0.809 5.517 2.054 1.00 0.00 S ATOM 1308 CE MET A 80 -0.988 5.500 2.168 1.00 0.00 C ATOM 0 H MET A 80 4.637 8.737 3.477 1.00 0.00 H new ATOM 0 HA MET A 80 2.556 9.316 1.607 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.219 7.036 2.366 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.691 7.425 3.991 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.437 7.450 3.422 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.747 7.895 1.755 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.338 4.471 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.302 6.057 3.051 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.413 5.963 1.277 1.00 0.00 H new ATOM 1318 N ALA A 81 1.574 11.264 2.887 1.00 0.00 N ATOM 1319 CA ALA A 81 0.729 12.325 3.451 1.00 0.00 C ATOM 1320 C ALA A 81 -0.769 11.993 3.614 1.00 0.00 C ATOM 1321 O ALA A 81 -1.527 12.768 4.201 1.00 0.00 O ATOM 1322 CB ALA A 81 0.936 13.585 2.603 1.00 0.00 C ATOM 0 H ALA A 81 1.997 11.538 2.000 1.00 0.00 H new ATOM 0 HA ALA A 81 1.052 12.468 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.321 14.394 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.985 13.878 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.649 13.380 1.571 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.173 10.811 3.172 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.523 10.244 3.168 1.00 0.00 C ATOM 1330 C PHE A 82 -3.157 10.149 4.572 1.00 0.00 C ATOM 1331 O PHE A 82 -2.468 10.132 5.597 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.423 8.869 2.490 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.736 8.140 2.281 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.680 8.621 1.352 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.004 6.952 2.989 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.883 7.921 1.140 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.192 6.242 2.758 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.140 6.732 1.848 1.00 0.00 C ATOM 0 H PHE A 82 -0.502 10.158 2.767 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.193 10.906 2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.942 8.997 1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.769 8.236 3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.480 9.528 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.291 6.586 3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.609 8.296 0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.377 5.316 3.282 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.065 6.198 1.691 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.489 10.096 4.628 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.245 10.007 5.882 1.00 0.00 C ATOM 1350 C GLY A 83 -5.295 8.582 6.435 1.00 0.00 C ATOM 1351 O GLY A 83 -4.908 8.347 7.577 1.00 0.00 O ATOM 0 H GLY A 83 -5.080 10.114 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.792 10.665 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.261 10.365 5.716 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.788 7.649 5.620 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.094 6.264 5.982 1.00 0.00 C ATOM 1357 C GLY A 84 -7.461 5.837 5.442 1.00 0.00 C ATOM 1358 O GLY A 84 -8.357 6.663 5.250 1.00 0.00 O ATOM 0 H GLY A 84 -5.995 7.848 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.322 5.604 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.080 6.158 7.067 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.649 4.538 5.231 1.00 0.00 N ATOM 1363 CA LEU A 85 -8.922 3.879 4.974 1.00 0.00 C ATOM 1364 C LEU A 85 -9.372 3.158 6.255 1.00 0.00 C ATOM 1365 O LEU A 85 -8.951 2.038 6.491 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.751 2.870 3.818 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.395 3.438 2.433 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.391 2.295 1.416 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.401 4.479 1.942 1.00 0.00 C ATOM 0 H LEU A 85 -6.870 3.880 5.235 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.678 4.611 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.974 2.161 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.679 2.305 3.723 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.420 3.916 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.140 2.686 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.652 1.549 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.378 1.834 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.098 4.844 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.389 4.025 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.434 5.312 2.644 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.208 3.776 7.101 1.00 0.00 N ATOM 1382 CA LYS A 86 -10.686 3.152 8.362 1.00 0.00 C ATOM 1383 C LYS A 86 -11.630 1.951 8.175 1.00 0.00 C ATOM 1384 O LYS A 86 -11.497 0.940 8.862 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.370 4.214 9.246 1.00 0.00 C ATOM 1386 CG LYS A 86 -10.419 4.848 10.280 1.00 0.00 C ATOM 1387 CD LYS A 86 -10.946 4.676 11.715 1.00 0.00 C ATOM 1388 CE LYS A 86 -10.914 3.197 12.144 1.00 0.00 C ATOM 1389 NZ LYS A 86 -11.725 2.945 13.364 1.00 0.00 N ATOM 0 H LYS A 86 -10.574 4.714 6.941 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.793 2.753 8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.779 4.999 8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.210 3.756 9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.433 4.391 10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.298 5.909 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.342 5.270 12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.966 5.054 11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.286 2.577 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.882 2.897 12.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.673 1.937 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.355 3.516 14.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.715 3.206 13.183 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.608 2.087 7.277 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.717 1.150 7.004 1.00 0.00 C ATOM 1405 C LYS A 87 -13.238 -0.261 6.616 1.00 0.00 C ATOM 1406 O LYS A 87 -12.611 -0.426 5.571 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.528 1.711 5.827 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.404 2.947 6.082 1.00 0.00 C ATOM 1409 CD LYS A 87 -15.871 3.555 4.742 1.00 0.00 C ATOM 1410 CE LYS A 87 -16.817 2.633 3.949 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.002 3.087 2.547 1.00 0.00 N ATOM 0 H LYS A 87 -12.656 2.910 6.676 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.303 1.059 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.830 1.955 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.173 0.915 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.269 2.671 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.843 3.689 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.376 4.501 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.998 3.781 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.418 1.619 3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.786 2.595 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.735 2.508 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.295 4.085 2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.106 2.986 2.028 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.616 -1.283 7.378 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.242 -2.692 7.193 1.00 0.00 C ATOM 1427 C GLU A 88 -13.550 -3.206 5.778 1.00 0.00 C ATOM 1428 O GLU A 88 -12.703 -3.847 5.169 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.955 -3.574 8.235 1.00 0.00 C ATOM 1430 CG GLU A 88 -13.326 -3.533 9.642 1.00 0.00 C ATOM 1431 CD GLU A 88 -13.331 -2.141 10.298 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -14.267 -1.361 10.017 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -12.340 -1.825 10.992 1.00 0.00 O ATOM 0 H GLU A 88 -14.224 -1.149 8.186 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.163 -2.753 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.996 -3.260 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.956 -4.605 7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.863 -4.228 10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.297 -3.888 9.578 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.734 -2.916 5.225 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.147 -3.345 3.879 1.00 0.00 C ATOM 1442 C LYS A 89 -14.350 -2.655 2.767 1.00 0.00 C ATOM 1443 O LYS A 89 -13.838 -3.316 1.875 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.660 -3.141 3.721 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.432 -3.752 4.902 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.808 -4.328 4.532 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.428 -5.001 5.768 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.703 -5.692 5.442 1.00 0.00 N ATOM 0 H LYS A 89 -15.446 -2.367 5.707 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.922 -4.407 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.880 -2.076 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.995 -3.597 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.828 -4.544 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.566 -2.987 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.462 -3.534 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.706 -5.051 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.721 -5.720 6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.608 -4.251 6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.089 -6.133 6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.387 -5.002 5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.527 -6.426 4.726 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.206 -1.335 2.887 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.393 -0.480 1.990 1.00 0.00 C ATOM 1464 C ASP A 90 -11.959 -1.028 1.889 1.00 0.00 C ATOM 1465 O ASP A 90 -11.475 -1.274 0.788 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.418 0.983 2.493 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.719 2.072 1.447 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -14.915 2.159 1.080 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -12.875 2.964 1.183 1.00 0.00 O ATOM 0 H ASP A 90 -14.661 -0.805 3.630 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.819 -0.494 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.163 1.057 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.451 1.204 2.944 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.334 -1.318 3.045 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.044 -2.016 3.195 1.00 0.00 C ATOM 1476 C ARG A 91 -10.034 -3.421 2.594 1.00 0.00 C ATOM 1477 O ARG A 91 -9.142 -3.702 1.809 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.644 -2.126 4.674 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.384 -0.774 5.348 1.00 0.00 C ATOM 1480 CD ARG A 91 -9.704 -0.863 6.841 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.722 -1.589 7.654 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.953 -1.950 8.898 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -10.052 -1.597 9.511 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -8.069 -2.646 9.540 1.00 0.00 N ATOM 0 H ARG A 91 -11.736 -1.058 3.946 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.328 -1.406 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.434 -2.646 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.746 -2.739 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.343 -0.483 5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.997 -0.002 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.800 0.149 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.675 -1.344 6.959 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.821 -1.824 7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.748 -1.032 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.213 -1.886 10.476 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.198 -2.912 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.244 -2.928 10.505 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.953 -4.312 2.978 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.959 -5.711 2.534 1.00 0.00 C ATOM 1500 C ASN A 92 -11.116 -5.837 1.008 1.00 0.00 C ATOM 1501 O ASN A 92 -10.432 -6.667 0.410 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.032 -6.530 3.285 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.549 -7.073 4.621 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.252 -8.241 4.773 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -11.416 -6.256 5.636 1.00 0.00 N ATOM 0 H ASN A 92 -11.720 -4.082 3.610 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.984 -6.130 2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.908 -5.903 3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.350 -7.362 2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.069 -6.605 6.530 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.659 -5.271 5.533 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.950 -5.026 0.354 1.00 0.00 N ATOM 1513 CA ASP A 93 -11.986 -4.959 -1.110 1.00 0.00 C ATOM 1514 C ASP A 93 -10.643 -4.468 -1.684 1.00 0.00 C ATOM 1515 O ASP A 93 -10.133 -5.066 -2.636 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.129 -4.041 -1.559 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.498 -4.727 -1.558 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.785 -5.476 -2.519 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.350 -4.357 -0.716 1.00 0.00 O ATOM 0 H ASP A 93 -12.613 -4.404 0.817 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.160 -5.964 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.166 -3.172 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.916 -3.673 -2.563 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.044 -3.423 -1.086 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.713 -2.905 -1.435 1.00 0.00 C ATOM 1526 C LEU A 94 -7.662 -4.011 -1.395 1.00 0.00 C ATOM 1527 O LEU A 94 -7.016 -4.250 -2.406 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.313 -1.721 -0.518 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.755 -0.466 -1.214 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.418 -0.676 -1.919 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.761 0.085 -2.223 1.00 0.00 C ATOM 0 H LEU A 94 -10.485 -2.903 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.762 -2.531 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.189 -1.428 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.566 -2.077 0.192 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.581 0.246 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.100 0.258 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.670 -0.995 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.528 -1.442 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.346 0.971 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.971 -0.672 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.685 0.350 -1.708 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.522 -4.721 -0.268 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.628 -5.876 -0.098 1.00 0.00 C ATOM 1545 C ILE A 95 -6.944 -6.985 -1.116 1.00 0.00 C ATOM 1546 O ILE A 95 -6.015 -7.527 -1.715 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.685 -6.384 1.367 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.186 -5.344 2.401 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.917 -7.705 1.560 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -4.692 -4.992 2.342 1.00 0.00 C ATOM 0 H ILE A 95 -8.045 -4.501 0.579 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.604 -5.560 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.745 -6.558 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.760 -4.427 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.411 -5.719 3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.987 -8.018 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.349 -8.474 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.870 -7.559 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.461 -4.256 3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.099 -5.891 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.454 -4.579 1.362 1.00 0.00 H new ATOM 1562 N THR A 96 -8.223 -7.283 -1.379 1.00 0.00 N ATOM 1563 CA THR A 96 -8.627 -8.292 -2.382 1.00 0.00 C ATOM 1564 C THR A 96 -8.135 -7.929 -3.788 1.00 0.00 C ATOM 1565 O THR A 96 -7.669 -8.799 -4.521 1.00 0.00 O ATOM 1566 CB THR A 96 -10.149 -8.504 -2.405 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.621 -8.815 -1.118 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.572 -9.689 -3.272 1.00 0.00 C ATOM 0 H THR A 96 -9.009 -6.836 -0.907 1.00 0.00 H new ATOM 0 HA THR A 96 -8.153 -9.226 -2.079 1.00 0.00 H new ATOM 0 HB THR A 96 -10.558 -7.574 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.658 -7.999 -0.577 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.657 -9.788 -3.248 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.245 -9.524 -4.299 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.116 -10.602 -2.888 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.180 -6.647 -4.161 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.511 -6.146 -5.362 1.00 0.00 C ATOM 1578 C TYR A 97 -5.990 -6.223 -5.236 1.00 0.00 C ATOM 1579 O TYR A 97 -5.360 -6.851 -6.077 1.00 0.00 O ATOM 1580 CB TYR A 97 -7.945 -4.715 -5.678 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.138 -4.060 -6.787 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.155 -4.603 -8.089 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.347 -2.927 -6.516 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.439 -3.983 -9.129 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.600 -2.325 -7.548 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.670 -2.827 -8.863 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.017 -2.192 -9.870 1.00 0.00 O ATOM 0 H TYR A 97 -8.681 -5.929 -3.638 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.812 -6.790 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.998 -4.719 -5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.860 -4.111 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.721 -5.501 -8.289 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.313 -2.519 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.477 -4.389 -10.129 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.971 -1.475 -7.330 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.606 -1.371 -9.527 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.399 -5.592 -4.217 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.957 -5.373 -4.099 1.00 0.00 C ATOM 1599 C LEU A 98 -3.161 -6.678 -4.072 1.00 0.00 C ATOM 1600 O LEU A 98 -2.102 -6.765 -4.691 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.660 -4.504 -2.852 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.919 -3.178 -3.095 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -1.506 -3.387 -3.632 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -3.683 -2.248 -4.037 1.00 0.00 C ATOM 0 H LEU A 98 -5.926 -5.210 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.629 -4.841 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.607 -4.280 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.072 -5.100 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.852 -2.706 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.028 -2.419 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.926 -3.968 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.553 -3.923 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.118 -1.326 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.820 -2.738 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.657 -2.015 -3.607 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.703 -7.708 -3.417 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.187 -9.075 -3.510 1.00 0.00 C ATOM 1618 C LYS A 99 -3.236 -9.585 -4.953 1.00 0.00 C ATOM 1619 O LYS A 99 -2.203 -9.975 -5.487 1.00 0.00 O ATOM 1620 CB LYS A 99 -3.924 -10.002 -2.531 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.233 -11.372 -2.530 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.766 -12.328 -1.457 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.116 -13.710 -1.620 1.00 0.00 C ATOM 1624 NZ LYS A 99 -1.647 -13.663 -1.435 1.00 0.00 N ATOM 0 H LYS A 99 -4.514 -7.616 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.137 -9.072 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.916 -9.575 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.969 -10.107 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.358 -11.833 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.163 -11.230 -2.379 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.552 -11.931 -0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.849 -12.414 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.550 -14.401 -0.897 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.343 -14.102 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.198 -14.382 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.294 -12.721 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.416 -13.853 -0.439 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.396 -9.512 -5.620 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.558 -9.982 -7.015 1.00 0.00 C ATOM 1640 C LYS A 100 -3.691 -9.190 -7.999 1.00 0.00 C ATOM 1641 O LYS A 100 -3.322 -9.683 -9.057 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.046 -9.987 -7.427 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.500 -11.219 -8.242 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.634 -11.082 -9.775 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.345 -11.067 -10.613 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.425 -12.178 -10.267 1.00 0.00 N ATOM 0 H LYS A 100 -5.250 -9.128 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.201 -11.011 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.656 -9.923 -6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.247 -9.090 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.796 -12.026 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.467 -11.536 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.254 -11.905 -10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.178 -10.160 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.603 -11.130 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.832 -10.117 -10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.525 -12.054 -10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.249 -12.176 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.855 -13.084 -10.543 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.343 -7.957 -7.650 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.515 -7.064 -8.446 1.00 0.00 C ATOM 1662 C ALA A 101 -1.020 -7.424 -8.393 1.00 0.00 C ATOM 1663 O ALA A 101 -0.282 -6.999 -9.281 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.780 -5.623 -8.004 1.00 0.00 C ATOM 0 H ALA A 101 -3.643 -7.537 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.791 -7.177 -9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.165 -4.943 -8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.833 -5.384 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.531 -5.515 -6.948 1.00 0.00 H new ATOM 1670 N THR A 102 -0.570 -8.230 -7.415 1.00 0.00 N ATOM 1671 CA THR A 102 0.743 -8.908 -7.436 1.00 0.00 C ATOM 1672 C THR A 102 0.654 -10.395 -7.823 1.00 0.00 C ATOM 1673 O THR A 102 1.572 -10.899 -8.478 1.00 0.00 O ATOM 1674 CB THR A 102 1.541 -8.659 -6.141 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.835 -9.205 -6.244 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.918 -9.197 -4.857 1.00 0.00 C ATOM 0 H THR A 102 -1.113 -8.433 -6.576 1.00 0.00 H new ATOM 0 HA THR A 102 1.315 -8.446 -8.241 1.00 0.00 H new ATOM 0 HB THR A 102 1.550 -7.572 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 102 3.328 -9.037 -5.414 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.566 -8.964 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.057 -8.735 -4.704 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.799 -10.278 -4.935 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.459 -11.066 -7.490 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.754 -12.506 -7.677 1.00 0.00 C ATOM 1686 C GLU A 103 -2.000 -12.734 -8.548 1.00 0.00 C ATOM 1687 O GLU A 103 -1.857 -12.810 -9.791 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.930 -13.173 -6.294 1.00 0.00 C ATOM 1689 CG GLU A 103 0.355 -13.261 -5.453 1.00 0.00 C ATOM 1690 CD GLU A 103 0.035 -13.444 -3.958 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -0.195 -14.583 -3.482 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -0.071 -12.432 -3.222 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.134 -12.793 -8.021 1.00 0.00 O ATOM 0 H GLU A 103 -1.241 -10.583 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 103 0.086 -12.960 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.679 -12.617 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.323 -14.179 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.964 -14.096 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.946 -12.356 -5.592 1.00 0.00 H new