USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 510 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 28 THR OG1 : rot -135:sc= 0.0712! USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.0951 USER MOD Single : A 8 GLN : amide:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -92:sc= 1.11 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 170:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -6.74! C(o=-6.7!,f=-5.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0035 USER MOD Single : A 49 GLN : amide:sc= -0.0985 K(o=-0.099,f=-0.68) USER MOD Single : A 51 MET CE :methyl 175:sc= 0 (180deg=-0.0428) USER MOD Single : A 53 ASN : amide:sc= -0.205 K(o=-0.21,f=-1.8!) USER MOD Single : A 60 ASN : amide:sc= -6.77! C(o=-6.8!,f=-12!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -14.256 -14.322 3.876 1.00 0.00 N ATOM 106 CA GLU A 7 -13.519 -15.401 3.240 1.00 0.00 C ATOM 107 C GLU A 7 -12.745 -14.874 2.030 1.00 0.00 C ATOM 108 O GLU A 7 -11.612 -15.287 1.785 1.00 0.00 O ATOM 109 CB GLU A 7 -14.455 -16.542 2.838 1.00 0.00 C ATOM 110 CG GLU A 7 -14.966 -17.292 4.069 1.00 0.00 C ATOM 111 CD GLU A 7 -14.784 -18.803 3.905 1.00 0.00 C ATOM 112 OE1 GLU A 7 -13.620 -19.217 3.718 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.813 -19.509 3.970 1.00 0.00 O ATOM 0 HA GLU A 7 -12.803 -15.799 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.299 -16.143 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.929 -17.233 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.430 -16.952 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.020 -17.064 4.227 1.00 0.00 H new ATOM 120 N GLN A 8 -13.386 -13.969 1.306 1.00 0.00 N ATOM 121 CA GLN A 8 -12.772 -13.381 0.127 1.00 0.00 C ATOM 122 C GLN A 8 -11.665 -12.407 0.536 1.00 0.00 C ATOM 123 O GLN A 8 -10.570 -12.436 -0.024 1.00 0.00 O ATOM 124 CB GLN A 8 -13.818 -12.687 -0.747 1.00 0.00 C ATOM 125 CG GLN A 8 -13.984 -13.413 -2.084 1.00 0.00 C ATOM 126 CD GLN A 8 -15.245 -14.280 -2.085 1.00 0.00 C ATOM 127 OE1 GLN A 8 -16.151 -14.102 -2.882 1.00 0.00 O ATOM 128 NE2 GLN A 8 -15.252 -15.224 -1.148 1.00 0.00 N ATOM 0 H GLN A 8 -14.325 -13.628 1.513 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.326 -14.181 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.774 -12.658 -0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.521 -11.653 -0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.039 -12.685 -2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.110 -14.036 -2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.460 -15.318 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.050 -15.854 -1.065 1.00 0.00 H new ATOM 137 N ILE A 9 -11.989 -11.568 1.508 1.00 0.00 N ATOM 138 CA ILE A 9 -11.035 -10.587 1.998 1.00 0.00 C ATOM 139 C ILE A 9 -9.759 -11.302 2.446 1.00 0.00 C ATOM 140 O ILE A 9 -8.654 -10.837 2.172 1.00 0.00 O ATOM 141 CB ILE A 9 -11.670 -9.720 3.088 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.355 -8.240 2.864 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.245 -10.192 4.480 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.454 -7.565 2.040 1.00 0.00 C ATOM 0 H ILE A 9 -12.898 -11.547 1.970 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.752 -9.900 1.201 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.753 -9.832 3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.255 -7.736 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.398 -8.142 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.710 -9.559 5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.561 -11.225 4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.161 -10.128 4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.206 -6.514 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.535 -8.056 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.405 -7.644 2.567 1.00 0.00 H new ATOM 156 N ALA A 10 -9.954 -12.421 3.128 1.00 0.00 N ATOM 157 CA ALA A 10 -8.833 -13.205 3.617 1.00 0.00 C ATOM 158 C ALA A 10 -7.786 -13.337 2.508 1.00 0.00 C ATOM 159 O ALA A 10 -6.586 -13.285 2.773 1.00 0.00 O ATOM 160 CB ALA A 10 -9.335 -14.564 4.108 1.00 0.00 C ATOM 0 H ALA A 10 -10.872 -12.803 3.354 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.358 -12.708 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.494 -15.152 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.054 -14.417 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.816 -15.093 3.285 1.00 0.00 H new ATOM 166 N GLU A 11 -8.279 -13.504 1.290 1.00 0.00 N ATOM 167 CA GLU A 11 -7.402 -13.643 0.140 1.00 0.00 C ATOM 168 C GLU A 11 -6.642 -12.339 -0.109 1.00 0.00 C ATOM 169 O GLU A 11 -5.469 -12.360 -0.480 1.00 0.00 O ATOM 170 CB GLU A 11 -8.189 -14.064 -1.103 1.00 0.00 C ATOM 171 CG GLU A 11 -8.824 -15.443 -0.909 1.00 0.00 C ATOM 172 CD GLU A 11 -9.557 -15.892 -2.174 1.00 0.00 C ATOM 173 OE1 GLU A 11 -10.319 -15.061 -2.713 1.00 0.00 O ATOM 174 OE2 GLU A 11 -9.338 -17.056 -2.574 1.00 0.00 O ATOM 0 H GLU A 11 -9.275 -13.546 1.074 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.677 -14.428 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.966 -13.328 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.526 -14.083 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.053 -16.170 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.522 -15.412 -0.072 1.00 0.00 H new ATOM 181 N PHE A 12 -7.341 -11.233 0.105 1.00 0.00 N ATOM 182 CA PHE A 12 -6.746 -9.922 -0.091 1.00 0.00 C ATOM 183 C PHE A 12 -5.748 -9.601 1.023 1.00 0.00 C ATOM 184 O PHE A 12 -4.733 -8.948 0.782 1.00 0.00 O ATOM 185 CB PHE A 12 -7.887 -8.903 -0.047 1.00 0.00 C ATOM 186 CG PHE A 12 -8.763 -8.896 -1.301 1.00 0.00 C ATOM 187 CD1 PHE A 12 -8.200 -9.083 -2.525 1.00 0.00 C ATOM 188 CD2 PHE A 12 -10.105 -8.702 -1.192 1.00 0.00 C ATOM 189 CE1 PHE A 12 -9.014 -9.076 -3.689 1.00 0.00 C ATOM 190 CE2 PHE A 12 -10.918 -8.695 -2.356 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.355 -8.882 -3.580 1.00 0.00 C ATOM 0 H PHE A 12 -8.314 -11.218 0.412 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.211 -9.894 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.513 -9.111 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.466 -7.908 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.135 -9.237 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.552 -8.553 -0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.567 -9.225 -4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -11.983 -8.541 -2.270 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.973 -8.876 -4.465 1.00 0.00 H new ATOM 201 N LYS A 13 -6.071 -10.073 2.218 1.00 0.00 N ATOM 202 CA LYS A 13 -5.215 -9.844 3.369 1.00 0.00 C ATOM 203 C LYS A 13 -3.750 -9.933 2.936 1.00 0.00 C ATOM 204 O LYS A 13 -2.975 -9.005 3.160 1.00 0.00 O ATOM 205 CB LYS A 13 -5.579 -10.801 4.507 1.00 0.00 C ATOM 206 CG LYS A 13 -6.813 -10.307 5.265 1.00 0.00 C ATOM 207 CD LYS A 13 -6.706 -10.629 6.756 1.00 0.00 C ATOM 208 CE LYS A 13 -7.241 -12.031 7.054 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.582 -11.953 7.676 1.00 0.00 N ATOM 0 H LYS A 13 -6.914 -10.613 2.414 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.370 -8.840 3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.769 -11.796 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.738 -10.891 5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.921 -9.231 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.708 -10.772 4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.666 -10.558 7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.266 -9.892 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.294 -12.610 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.555 -12.555 7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.930 -12.913 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.521 -11.419 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.238 -11.472 7.028 1.00 0.00 H new ATOM 223 N GLU A 14 -3.414 -11.059 2.324 1.00 0.00 N ATOM 224 CA GLU A 14 -2.056 -11.282 1.858 1.00 0.00 C ATOM 225 C GLU A 14 -1.614 -10.136 0.946 1.00 0.00 C ATOM 226 O GLU A 14 -0.497 -9.635 1.069 1.00 0.00 O ATOM 227 CB GLU A 14 -1.936 -12.629 1.143 1.00 0.00 C ATOM 228 CG GLU A 14 -2.264 -13.784 2.091 1.00 0.00 C ATOM 229 CD GLU A 14 -1.462 -15.036 1.729 1.00 0.00 C ATOM 230 OE1 GLU A 14 -0.278 -15.086 2.128 1.00 0.00 O ATOM 231 OE2 GLU A 14 -2.050 -15.914 1.061 1.00 0.00 O ATOM 0 H GLU A 14 -4.059 -11.827 2.140 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.395 -11.308 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.612 -12.652 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.925 -12.749 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.043 -13.491 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.330 -14.005 2.045 1.00 0.00 H new ATOM 238 N ALA A 15 -2.513 -9.754 0.051 1.00 0.00 N ATOM 239 CA ALA A 15 -2.229 -8.676 -0.882 1.00 0.00 C ATOM 240 C ALA A 15 -1.690 -7.469 -0.111 1.00 0.00 C ATOM 241 O ALA A 15 -0.604 -6.974 -0.407 1.00 0.00 O ATOM 242 CB ALA A 15 -3.493 -8.343 -1.677 1.00 0.00 C ATOM 0 H ALA A 15 -3.438 -10.171 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.464 -8.979 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.280 -7.535 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.818 -9.225 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.282 -8.032 -0.992 1.00 0.00 H new ATOM 248 N PHE A 16 -2.474 -7.031 0.863 1.00 0.00 N ATOM 249 CA PHE A 16 -2.089 -5.892 1.678 1.00 0.00 C ATOM 250 C PHE A 16 -0.687 -6.083 2.260 1.00 0.00 C ATOM 251 O PHE A 16 0.051 -5.115 2.440 1.00 0.00 O ATOM 252 CB PHE A 16 -3.097 -5.802 2.826 1.00 0.00 C ATOM 253 CG PHE A 16 -2.947 -4.549 3.690 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.325 -3.337 3.202 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.434 -4.646 4.946 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.185 -2.173 4.004 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.294 -3.483 5.748 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.673 -2.271 5.260 1.00 0.00 C ATOM 0 H PHE A 16 -3.374 -7.445 1.106 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.081 -4.986 1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.105 -5.827 2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.990 -6.682 3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.732 -3.260 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.133 -5.608 5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.485 -1.211 3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.887 -3.560 6.745 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.567 -1.386 5.870 1.00 0.00 H new ATOM 268 N SER A 17 -0.362 -7.337 2.538 1.00 0.00 N ATOM 269 CA SER A 17 0.938 -7.667 3.096 1.00 0.00 C ATOM 270 C SER A 17 2.046 -7.231 2.134 1.00 0.00 C ATOM 271 O SER A 17 2.971 -6.522 2.527 1.00 0.00 O ATOM 272 CB SER A 17 1.048 -9.164 3.388 1.00 0.00 C ATOM 273 OG SER A 17 2.012 -9.441 4.401 1.00 0.00 O ATOM 0 H SER A 17 -0.977 -8.137 2.387 1.00 0.00 H new ATOM 0 HA SER A 17 1.052 -7.131 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.075 -9.545 3.699 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.320 -9.693 2.474 1.00 0.00 H new ATOM 0 HG SER A 17 2.051 -10.407 4.560 1.00 0.00 H new ATOM 279 N LEU A 18 1.915 -7.674 0.892 1.00 0.00 N ATOM 280 CA LEU A 18 2.893 -7.339 -0.129 1.00 0.00 C ATOM 281 C LEU A 18 3.355 -5.894 0.068 1.00 0.00 C ATOM 282 O LEU A 18 4.544 -5.638 0.254 1.00 0.00 O ATOM 283 CB LEU A 18 2.330 -7.620 -1.523 1.00 0.00 C ATOM 284 CG LEU A 18 2.959 -8.794 -2.276 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.098 -10.052 -2.149 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.227 -8.428 -3.738 1.00 0.00 C ATOM 0 H LEU A 18 1.146 -8.262 0.570 1.00 0.00 H new ATOM 0 HA LEU A 18 3.775 -7.972 -0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.260 -7.805 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.447 -6.721 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 18 3.923 -9.016 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.568 -10.871 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.002 -10.323 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.109 -9.860 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.674 -9.280 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.288 -8.164 -4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.910 -7.579 -3.781 1.00 0.00 H new ATOM 298 N PHE A 19 2.390 -4.987 0.022 1.00 0.00 N ATOM 299 CA PHE A 19 2.683 -3.574 0.192 1.00 0.00 C ATOM 300 C PHE A 19 3.173 -3.283 1.613 1.00 0.00 C ATOM 301 O PHE A 19 4.125 -2.528 1.802 1.00 0.00 O ATOM 302 CB PHE A 19 1.377 -2.814 -0.050 1.00 0.00 C ATOM 303 CG PHE A 19 1.034 -2.621 -1.528 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.741 -1.736 -2.280 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.023 -3.336 -2.090 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.423 -1.557 -3.652 1.00 0.00 C ATOM 307 CE2 PHE A 19 -0.295 -3.157 -3.463 1.00 0.00 C ATOM 308 CZ PHE A 19 0.411 -2.271 -4.215 1.00 0.00 C ATOM 0 H PHE A 19 1.405 -5.203 -0.131 1.00 0.00 H new ATOM 0 HA PHE A 19 3.465 -3.270 -0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.561 -3.351 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.444 -1.836 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.545 -1.169 -1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.538 -4.040 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.985 -0.854 -4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.098 -3.725 -3.910 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.169 -2.134 -5.259 1.00 0.00 H new ATOM 318 N ASP A 20 2.500 -3.898 2.574 1.00 0.00 N ATOM 319 CA ASP A 20 2.854 -3.715 3.971 1.00 0.00 C ATOM 320 C ASP A 20 4.068 -4.585 4.303 1.00 0.00 C ATOM 321 O ASP A 20 3.920 -5.748 4.675 1.00 0.00 O ATOM 322 CB ASP A 20 1.706 -4.135 4.890 1.00 0.00 C ATOM 323 CG ASP A 20 2.107 -4.412 6.341 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.554 -3.449 7.000 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.957 -5.581 6.758 1.00 0.00 O ATOM 0 H ASP A 20 1.711 -4.524 2.413 1.00 0.00 H new ATOM 0 HA ASP A 20 3.073 -2.659 4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.948 -3.351 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.242 -5.032 4.480 1.00 0.00 H new ATOM 330 N LYS A 21 5.242 -3.988 4.156 1.00 0.00 N ATOM 331 CA LYS A 21 6.481 -4.694 4.435 1.00 0.00 C ATOM 332 C LYS A 21 6.935 -4.374 5.861 1.00 0.00 C ATOM 333 O LYS A 21 8.112 -4.514 6.188 1.00 0.00 O ATOM 334 CB LYS A 21 7.531 -4.375 3.370 1.00 0.00 C ATOM 335 CG LYS A 21 8.149 -2.995 3.604 1.00 0.00 C ATOM 336 CD LYS A 21 9.654 -3.104 3.858 1.00 0.00 C ATOM 337 CE LYS A 21 10.158 -1.917 4.680 1.00 0.00 C ATOM 338 NZ LYS A 21 11.380 -2.287 5.429 1.00 0.00 N ATOM 0 H LYS A 21 5.361 -3.023 3.847 1.00 0.00 H new ATOM 0 HA LYS A 21 6.325 -5.772 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.313 -5.135 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.073 -4.409 2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.968 -2.360 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.666 -2.516 4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.871 -4.034 4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.185 -3.144 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.369 -1.074 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.383 -1.593 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.709 -1.470 5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.168 -3.077 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.123 -2.575 4.761 1.00 0.00 H new ATOM 352 N ASP A 22 5.976 -3.952 6.672 1.00 0.00 N ATOM 353 CA ASP A 22 6.262 -3.611 8.055 1.00 0.00 C ATOM 354 C ASP A 22 5.455 -4.525 8.979 1.00 0.00 C ATOM 355 O ASP A 22 5.637 -4.502 10.195 1.00 0.00 O ATOM 356 CB ASP A 22 5.867 -2.164 8.359 1.00 0.00 C ATOM 357 CG ASP A 22 5.793 -1.813 9.847 1.00 0.00 C ATOM 358 OD1 ASP A 22 6.726 -2.219 10.573 1.00 0.00 O ATOM 359 OD2 ASP A 22 4.804 -1.147 10.224 1.00 0.00 O ATOM 0 H ASP A 22 5.000 -3.839 6.398 1.00 0.00 H new ATOM 0 HA ASP A 22 7.333 -3.734 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.585 -1.499 7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.896 -1.965 7.905 1.00 0.00 H new ATOM 364 N GLY A 23 4.581 -5.309 8.366 1.00 0.00 N ATOM 365 CA GLY A 23 3.745 -6.230 9.118 1.00 0.00 C ATOM 366 C GLY A 23 3.222 -5.575 10.398 1.00 0.00 C ATOM 367 O GLY A 23 3.676 -5.898 11.495 1.00 0.00 O ATOM 0 H GLY A 23 4.433 -5.326 7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.906 -6.552 8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.317 -7.123 9.370 1.00 0.00 H new ATOM 371 N ASP A 24 2.275 -4.667 10.216 1.00 0.00 N ATOM 372 CA ASP A 24 1.685 -3.964 11.342 1.00 0.00 C ATOM 373 C ASP A 24 0.171 -3.871 11.144 1.00 0.00 C ATOM 374 O ASP A 24 -0.595 -4.081 12.083 1.00 0.00 O ATOM 375 CB ASP A 24 2.236 -2.541 11.452 1.00 0.00 C ATOM 376 CG ASP A 24 2.013 -1.664 10.218 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.786 -2.251 9.138 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.074 -0.426 10.383 1.00 0.00 O ATOM 0 H ASP A 24 1.901 -4.402 9.305 1.00 0.00 H new ATOM 0 HA ASP A 24 1.928 -4.517 12.249 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.776 -2.055 12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.306 -2.596 11.651 1.00 0.00 H new ATOM 383 N GLY A 25 -0.215 -3.557 9.916 1.00 0.00 N ATOM 384 CA GLY A 25 -1.624 -3.435 9.583 1.00 0.00 C ATOM 385 C GLY A 25 -1.875 -2.206 8.706 1.00 0.00 C ATOM 386 O GLY A 25 -2.984 -2.006 8.214 1.00 0.00 O ATOM 0 H GLY A 25 0.423 -3.383 9.140 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.957 -4.332 9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.212 -3.360 10.497 1.00 0.00 H new ATOM 390 N THR A 26 -0.826 -1.414 8.538 1.00 0.00 N ATOM 391 CA THR A 26 -0.919 -0.211 7.730 1.00 0.00 C ATOM 392 C THR A 26 0.097 -0.256 6.587 1.00 0.00 C ATOM 393 O THR A 26 1.010 -1.081 6.595 1.00 0.00 O ATOM 394 CB THR A 26 -0.739 0.995 8.654 1.00 0.00 C ATOM 395 OG1 THR A 26 0.664 1.039 8.899 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.351 0.768 10.038 1.00 0.00 C ATOM 0 H THR A 26 0.093 -1.582 8.948 1.00 0.00 H new ATOM 0 HA THR A 26 -1.896 -0.131 7.253 1.00 0.00 H new ATOM 0 HB THR A 26 -1.192 1.874 8.196 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.870 0.532 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.196 1.654 10.654 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.420 0.579 9.937 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.874 -0.091 10.510 1.00 0.00 H new ATOM 404 N ILE A 27 -0.096 0.640 5.630 1.00 0.00 N ATOM 405 CA ILE A 27 0.792 0.712 4.482 1.00 0.00 C ATOM 406 C ILE A 27 1.200 2.168 4.249 1.00 0.00 C ATOM 407 O ILE A 27 0.483 2.920 3.590 1.00 0.00 O ATOM 408 CB ILE A 27 0.146 0.052 3.263 1.00 0.00 C ATOM 409 CG1 ILE A 27 -0.052 -1.448 3.492 1.00 0.00 C ATOM 410 CG2 ILE A 27 0.953 0.336 1.994 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.827 -2.081 2.335 1.00 0.00 C ATOM 0 H ILE A 27 -0.854 1.322 5.626 1.00 0.00 H new ATOM 0 HA ILE A 27 1.707 0.151 4.672 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.842 0.489 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.918 -1.935 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.590 -1.609 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.472 -0.145 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.999 1.412 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.963 -0.057 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.954 -3.147 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.805 -1.608 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.274 -1.939 1.406 1.00 0.00 H new ATOM 423 N THR A 28 2.350 2.523 4.803 1.00 0.00 N ATOM 424 CA THR A 28 2.862 3.876 4.664 1.00 0.00 C ATOM 425 C THR A 28 3.335 4.122 3.230 1.00 0.00 C ATOM 426 O THR A 28 2.858 3.479 2.296 1.00 0.00 O ATOM 427 CB THR A 28 3.962 4.075 5.709 1.00 0.00 C ATOM 428 OG1 THR A 28 4.385 5.422 5.515 1.00 0.00 O ATOM 429 CG2 THR A 28 5.212 3.245 5.409 1.00 0.00 C ATOM 0 H THR A 28 2.942 1.897 5.349 1.00 0.00 H new ATOM 0 HA THR A 28 2.082 4.615 4.847 1.00 0.00 H new ATOM 0 HB THR A 28 3.579 3.810 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.364 5.462 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.961 3.423 6.181 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.951 2.187 5.394 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.616 3.533 4.438 1.00 0.00 H new ATOM 437 N THR A 29 4.267 5.055 3.100 1.00 0.00 N ATOM 438 CA THR A 29 4.809 5.395 1.796 1.00 0.00 C ATOM 439 C THR A 29 5.982 4.475 1.450 1.00 0.00 C ATOM 440 O THR A 29 6.015 3.883 0.372 1.00 0.00 O ATOM 441 CB THR A 29 5.184 6.878 1.811 1.00 0.00 C ATOM 442 OG1 THR A 29 5.866 7.051 3.050 1.00 0.00 O ATOM 443 CG2 THR A 29 3.961 7.790 1.928 1.00 0.00 C ATOM 0 H THR A 29 4.660 5.586 3.877 1.00 0.00 H new ATOM 0 HA THR A 29 4.071 5.240 1.009 1.00 0.00 H new ATOM 0 HB THR A 29 5.733 7.123 0.902 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.146 7.986 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.283 8.831 1.934 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.298 7.620 1.080 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.430 7.569 2.854 1.00 0.00 H new ATOM 451 N LYS A 30 6.916 4.384 2.385 1.00 0.00 N ATOM 452 CA LYS A 30 8.088 3.547 2.193 1.00 0.00 C ATOM 453 C LYS A 30 7.642 2.118 1.875 1.00 0.00 C ATOM 454 O LYS A 30 8.274 1.430 1.075 1.00 0.00 O ATOM 455 CB LYS A 30 9.021 3.646 3.401 1.00 0.00 C ATOM 456 CG LYS A 30 10.347 4.307 3.018 1.00 0.00 C ATOM 457 CD LYS A 30 11.389 3.258 2.626 1.00 0.00 C ATOM 458 CE LYS A 30 12.775 3.640 3.149 1.00 0.00 C ATOM 459 NZ LYS A 30 13.425 4.608 2.237 1.00 0.00 N ATOM 0 H LYS A 30 6.885 4.876 3.278 1.00 0.00 H new ATOM 0 HA LYS A 30 8.671 3.897 1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.539 4.222 4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.210 2.650 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.188 4.995 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.718 4.898 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.100 2.286 3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.420 3.159 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.687 4.073 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.394 2.747 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.365 4.856 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.526 4.182 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.842 5.466 2.169 1.00 0.00 H new ATOM 473 N GLU A 31 6.557 1.714 2.520 1.00 0.00 N ATOM 474 CA GLU A 31 6.019 0.380 2.316 1.00 0.00 C ATOM 475 C GLU A 31 5.269 0.307 0.984 1.00 0.00 C ATOM 476 O GLU A 31 5.094 -0.774 0.425 1.00 0.00 O ATOM 477 CB GLU A 31 5.113 -0.029 3.479 1.00 0.00 C ATOM 478 CG GLU A 31 5.890 -0.056 4.796 1.00 0.00 C ATOM 479 CD GLU A 31 4.969 -0.397 5.970 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.150 -1.325 5.797 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.104 0.279 7.012 1.00 0.00 O ATOM 0 H GLU A 31 6.036 2.287 3.184 1.00 0.00 H new ATOM 0 HA GLU A 31 6.850 -0.324 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.280 0.669 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.687 -1.013 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.693 -0.791 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.358 0.914 4.966 1.00 0.00 H new ATOM 488 N LEU A 32 4.847 1.472 0.515 1.00 0.00 N ATOM 489 CA LEU A 32 4.120 1.555 -0.740 1.00 0.00 C ATOM 490 C LEU A 32 5.116 1.578 -1.901 1.00 0.00 C ATOM 491 O LEU A 32 4.800 1.135 -3.004 1.00 0.00 O ATOM 492 CB LEU A 32 3.162 2.748 -0.727 1.00 0.00 C ATOM 493 CG LEU A 32 2.016 2.699 -1.740 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.794 1.993 -1.151 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.678 4.100 -2.252 1.00 0.00 C ATOM 0 H LEU A 32 4.995 2.367 0.982 1.00 0.00 H new ATOM 0 HA LEU A 32 3.493 0.674 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.734 2.834 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.740 3.655 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 32 2.343 2.113 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.006 1.972 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.061 0.973 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.455 2.531 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.861 4.037 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.378 4.731 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.554 4.532 -2.736 1.00 0.00 H new ATOM 507 N GLY A 33 6.299 2.100 -1.613 1.00 0.00 N ATOM 508 CA GLY A 33 7.344 2.187 -2.619 1.00 0.00 C ATOM 509 C GLY A 33 8.170 0.900 -2.665 1.00 0.00 C ATOM 510 O GLY A 33 8.568 0.452 -3.739 1.00 0.00 O ATOM 0 H GLY A 33 6.557 2.467 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.898 2.372 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.995 3.033 -2.400 1.00 0.00 H new ATOM 514 N THR A 34 8.403 0.342 -1.486 1.00 0.00 N ATOM 515 CA THR A 34 9.174 -0.885 -1.378 1.00 0.00 C ATOM 516 C THR A 34 8.770 -1.867 -2.480 1.00 0.00 C ATOM 517 O THR A 34 9.585 -2.221 -3.330 1.00 0.00 O ATOM 518 CB THR A 34 8.981 -1.442 0.033 1.00 0.00 C ATOM 519 OG1 THR A 34 10.223 -1.183 0.682 1.00 0.00 O ATOM 520 CG2 THR A 34 8.863 -2.968 0.050 1.00 0.00 C ATOM 0 H THR A 34 8.071 0.717 -0.597 1.00 0.00 H new ATOM 0 HA THR A 34 10.238 -0.698 -1.526 1.00 0.00 H new ATOM 0 HB THR A 34 8.087 -1.004 0.476 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.135 -1.363 1.641 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.727 -3.311 1.076 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.006 -3.273 -0.551 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.771 -3.408 -0.363 1.00 0.00 H new ATOM 528 N VAL A 35 7.512 -2.280 -2.428 1.00 0.00 N ATOM 529 CA VAL A 35 6.991 -3.215 -3.411 1.00 0.00 C ATOM 530 C VAL A 35 7.398 -2.755 -4.812 1.00 0.00 C ATOM 531 O VAL A 35 7.764 -3.572 -5.655 1.00 0.00 O ATOM 532 CB VAL A 35 5.476 -3.358 -3.245 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.812 -3.725 -4.573 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.138 -4.382 -2.160 1.00 0.00 C ATOM 0 H VAL A 35 6.839 -1.985 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 35 7.417 -4.207 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 35 5.080 -2.393 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.736 -3.821 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.011 -2.944 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.215 -4.672 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.056 -4.465 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.553 -5.352 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.565 -4.060 -1.210 1.00 0.00 H new ATOM 544 N MET A 36 7.320 -1.448 -5.017 1.00 0.00 N ATOM 545 CA MET A 36 7.676 -0.870 -6.302 1.00 0.00 C ATOM 546 C MET A 36 9.175 -1.014 -6.571 1.00 0.00 C ATOM 547 O MET A 36 9.583 -1.306 -7.694 1.00 0.00 O ATOM 548 CB MET A 36 7.294 0.612 -6.318 1.00 0.00 C ATOM 549 CG MET A 36 5.845 0.809 -5.866 1.00 0.00 C ATOM 550 SD MET A 36 4.939 1.721 -7.104 1.00 0.00 S ATOM 551 CE MET A 36 3.273 1.223 -6.699 1.00 0.00 C ATOM 0 H MET A 36 7.016 -0.773 -4.315 1.00 0.00 H new ATOM 0 HA MET A 36 7.133 -1.403 -7.083 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.962 1.171 -5.663 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.423 1.014 -7.323 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.373 -0.159 -5.697 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.821 1.345 -4.917 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.573 1.705 -7.381 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.184 0.141 -6.793 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.044 1.519 -5.675 1.00 0.00 H new ATOM 561 N ARG A 37 9.956 -0.800 -5.522 1.00 0.00 N ATOM 562 CA ARG A 37 11.401 -0.903 -5.631 1.00 0.00 C ATOM 563 C ARG A 37 11.788 -2.183 -6.374 1.00 0.00 C ATOM 564 O ARG A 37 12.780 -2.207 -7.101 1.00 0.00 O ATOM 565 CB ARG A 37 12.059 -0.904 -4.250 1.00 0.00 C ATOM 566 CG ARG A 37 11.771 0.401 -3.505 1.00 0.00 C ATOM 567 CD ARG A 37 12.696 1.522 -3.984 1.00 0.00 C ATOM 568 NE ARG A 37 11.920 2.764 -4.193 1.00 0.00 N ATOM 569 CZ ARG A 37 12.454 3.993 -4.191 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.769 4.152 -3.990 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.673 5.064 -4.390 1.00 0.00 N ATOM 0 H ARG A 37 9.615 -0.556 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 37 11.754 -0.035 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.690 -1.748 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.136 -1.036 -4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.732 0.691 -3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.903 0.249 -2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.483 1.694 -3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.186 1.229 -4.913 1.00 0.00 H new ATOM 0 HE ARG A 37 10.915 2.680 -4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.364 3.337 -3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.175 5.088 -3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.672 4.944 -4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.080 5.999 -4.388 1.00 0.00 H new ATOM 585 N SER A 38 10.985 -3.216 -6.165 1.00 0.00 N ATOM 586 CA SER A 38 11.231 -4.497 -6.806 1.00 0.00 C ATOM 587 C SER A 38 10.124 -4.796 -7.819 1.00 0.00 C ATOM 588 O SER A 38 9.643 -5.925 -7.903 1.00 0.00 O ATOM 589 CB SER A 38 11.323 -5.621 -5.772 1.00 0.00 C ATOM 590 OG SER A 38 12.615 -5.694 -5.176 1.00 0.00 O ATOM 0 H SER A 38 10.164 -3.192 -5.561 1.00 0.00 H new ATOM 0 HA SER A 38 12.186 -4.441 -7.328 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.574 -5.462 -4.996 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.090 -6.573 -6.249 1.00 0.00 H new ATOM 0 HG SER A 38 12.632 -6.423 -4.521 1.00 0.00 H new ATOM 596 N LEU A 39 9.753 -3.765 -8.564 1.00 0.00 N ATOM 597 CA LEU A 39 8.712 -3.904 -9.568 1.00 0.00 C ATOM 598 C LEU A 39 9.009 -2.963 -10.738 1.00 0.00 C ATOM 599 O LEU A 39 8.093 -2.403 -11.337 1.00 0.00 O ATOM 600 CB LEU A 39 7.332 -3.690 -8.942 1.00 0.00 C ATOM 601 CG LEU A 39 6.224 -4.627 -9.426 1.00 0.00 C ATOM 602 CD1 LEU A 39 5.026 -4.596 -8.475 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.821 -4.303 -10.866 1.00 0.00 C ATOM 0 H LEU A 39 10.155 -2.830 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 39 8.702 -4.918 -9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.425 -3.797 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.022 -2.663 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 39 6.612 -5.645 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.253 -5.271 -8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.342 -4.913 -7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.629 -3.582 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.032 -4.984 -11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.458 -3.277 -10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.685 -4.417 -11.520 1.00 0.00 H new ATOM 615 N GLY A 40 10.294 -2.819 -11.027 1.00 0.00 N ATOM 616 CA GLY A 40 10.724 -1.956 -12.115 1.00 0.00 C ATOM 617 C GLY A 40 10.218 -0.526 -11.912 1.00 0.00 C ATOM 618 O GLY A 40 10.206 0.270 -12.850 1.00 0.00 O ATOM 0 H GLY A 40 11.051 -3.285 -10.527 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.812 -1.956 -12.175 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.352 -2.346 -13.062 1.00 0.00 H new ATOM 622 N GLN A 41 9.813 -0.244 -10.683 1.00 0.00 N ATOM 623 CA GLN A 41 9.309 1.076 -10.345 1.00 0.00 C ATOM 624 C GLN A 41 10.166 1.707 -9.247 1.00 0.00 C ATOM 625 O GLN A 41 11.079 1.070 -8.724 1.00 0.00 O ATOM 626 CB GLN A 41 7.839 1.009 -9.924 1.00 0.00 C ATOM 627 CG GLN A 41 6.920 0.965 -11.146 1.00 0.00 C ATOM 628 CD GLN A 41 5.455 1.134 -10.737 1.00 0.00 C ATOM 629 OE1 GLN A 41 4.875 2.202 -10.838 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.892 0.023 -10.269 1.00 0.00 N ATOM 0 H GLN A 41 9.824 -0.908 -9.908 1.00 0.00 H new ATOM 0 HA GLN A 41 9.371 1.706 -11.232 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.673 0.125 -9.308 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.593 1.876 -9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.200 1.754 -11.844 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.048 0.017 -11.668 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.435 -0.838 -10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.917 0.033 -9.968 1.00 0.00 H new ATOM 639 N ASN A 42 9.842 2.952 -8.930 1.00 0.00 N ATOM 640 CA ASN A 42 10.571 3.677 -7.903 1.00 0.00 C ATOM 641 C ASN A 42 10.010 5.096 -7.791 1.00 0.00 C ATOM 642 O ASN A 42 10.708 6.068 -8.075 1.00 0.00 O ATOM 643 CB ASN A 42 12.057 3.783 -8.254 1.00 0.00 C ATOM 644 CG ASN A 42 12.907 2.945 -7.296 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.741 1.744 -7.166 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.824 3.645 -6.634 1.00 0.00 N ATOM 0 H ASN A 42 9.084 3.477 -9.366 1.00 0.00 H new ATOM 0 HA ASN A 42 10.459 3.135 -6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.218 3.446 -9.278 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.372 4.826 -8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.441 3.178 -5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.910 4.649 -6.790 1.00 0.00 H new ATOM 653 N PRO A 43 8.721 5.172 -7.365 1.00 0.00 N ATOM 654 CA PRO A 43 8.058 6.456 -7.211 1.00 0.00 C ATOM 655 C PRO A 43 8.552 7.182 -5.958 1.00 0.00 C ATOM 656 O PRO A 43 8.514 6.628 -4.860 1.00 0.00 O ATOM 657 CB PRO A 43 6.574 6.129 -7.163 1.00 0.00 C ATOM 658 CG PRO A 43 6.484 4.650 -6.824 1.00 0.00 C ATOM 659 CD PRO A 43 7.863 4.042 -7.019 1.00 0.00 C ATOM 0 HA PRO A 43 8.275 7.142 -8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.065 6.733 -6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.096 6.340 -8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.149 4.514 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.755 4.155 -7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.209 3.545 -6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.857 3.292 -7.810 1.00 0.00 H new ATOM 667 N THR A 44 9.003 8.410 -6.163 1.00 0.00 N ATOM 668 CA THR A 44 9.504 9.217 -5.063 1.00 0.00 C ATOM 669 C THR A 44 8.492 9.241 -3.916 1.00 0.00 C ATOM 670 O THR A 44 7.398 8.691 -4.036 1.00 0.00 O ATOM 671 CB THR A 44 9.836 10.607 -5.610 1.00 0.00 C ATOM 672 OG1 THR A 44 8.639 11.018 -6.264 1.00 0.00 O ATOM 673 CG2 THR A 44 10.877 10.562 -6.731 1.00 0.00 C ATOM 0 H THR A 44 9.032 8.867 -7.075 1.00 0.00 H new ATOM 0 HA THR A 44 10.415 8.791 -4.642 1.00 0.00 H new ATOM 0 HB THR A 44 10.202 11.238 -4.800 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.765 11.911 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.076 11.574 -7.083 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.800 10.121 -6.353 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.498 9.959 -7.556 1.00 0.00 H new ATOM 681 N GLU A 45 8.893 9.884 -2.829 1.00 0.00 N ATOM 682 CA GLU A 45 8.035 9.988 -1.661 1.00 0.00 C ATOM 683 C GLU A 45 6.863 10.929 -1.945 1.00 0.00 C ATOM 684 O GLU A 45 5.882 10.948 -1.202 1.00 0.00 O ATOM 685 CB GLU A 45 8.827 10.452 -0.438 1.00 0.00 C ATOM 686 CG GLU A 45 7.945 11.266 0.511 1.00 0.00 C ATOM 687 CD GLU A 45 8.658 11.520 1.840 1.00 0.00 C ATOM 688 OE1 GLU A 45 9.465 12.474 1.878 1.00 0.00 O ATOM 689 OE2 GLU A 45 8.379 10.756 2.789 1.00 0.00 O ATOM 0 H GLU A 45 9.801 10.338 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 45 7.635 8.998 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.231 9.587 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.676 11.056 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.685 12.217 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.011 10.734 0.691 1.00 0.00 H new ATOM 696 N ALA A 46 7.003 11.689 -3.022 1.00 0.00 N ATOM 697 CA ALA A 46 5.968 12.630 -3.413 1.00 0.00 C ATOM 698 C ALA A 46 4.872 11.888 -4.181 1.00 0.00 C ATOM 699 O ALA A 46 3.685 12.089 -3.926 1.00 0.00 O ATOM 700 CB ALA A 46 6.590 13.761 -4.235 1.00 0.00 C ATOM 0 H ALA A 46 7.818 11.672 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 46 5.508 13.080 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.813 14.467 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.341 14.276 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.059 13.347 -5.127 1.00 0.00 H new ATOM 706 N GLU A 47 5.308 11.045 -5.105 1.00 0.00 N ATOM 707 CA GLU A 47 4.379 10.271 -5.911 1.00 0.00 C ATOM 708 C GLU A 47 3.498 9.399 -5.015 1.00 0.00 C ATOM 709 O GLU A 47 2.273 9.515 -5.041 1.00 0.00 O ATOM 710 CB GLU A 47 5.124 9.420 -6.941 1.00 0.00 C ATOM 711 CG GLU A 47 4.144 8.668 -7.843 1.00 0.00 C ATOM 712 CD GLU A 47 4.324 9.073 -9.307 1.00 0.00 C ATOM 713 OE1 GLU A 47 3.879 10.191 -9.645 1.00 0.00 O ATOM 714 OE2 GLU A 47 4.902 8.255 -10.056 1.00 0.00 O ATOM 0 H GLU A 47 6.293 10.881 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 47 3.737 10.963 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.767 10.058 -7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.772 8.709 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.298 7.594 -7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.121 8.876 -7.528 1.00 0.00 H new ATOM 721 N LEU A 48 4.154 8.546 -4.242 1.00 0.00 N ATOM 722 CA LEU A 48 3.445 7.655 -3.340 1.00 0.00 C ATOM 723 C LEU A 48 2.346 8.437 -2.617 1.00 0.00 C ATOM 724 O LEU A 48 1.168 8.098 -2.720 1.00 0.00 O ATOM 725 CB LEU A 48 4.426 6.958 -2.395 1.00 0.00 C ATOM 726 CG LEU A 48 5.463 6.048 -3.057 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.756 6.005 -2.239 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.891 4.650 -3.298 1.00 0.00 C ATOM 0 H LEU A 48 5.170 8.453 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 48 2.955 6.858 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.954 7.721 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.854 6.365 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 48 5.712 6.466 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.476 5.351 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.171 7.010 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.542 5.623 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.648 4.023 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.596 4.209 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.021 4.720 -3.951 1.00 0.00 H new ATOM 740 N GLN A 49 2.770 9.469 -1.903 1.00 0.00 N ATOM 741 CA GLN A 49 1.837 10.301 -1.163 1.00 0.00 C ATOM 742 C GLN A 49 0.581 10.561 -1.998 1.00 0.00 C ATOM 743 O GLN A 49 -0.537 10.444 -1.497 1.00 0.00 O ATOM 744 CB GLN A 49 2.493 11.616 -0.738 1.00 0.00 C ATOM 745 CG GLN A 49 2.002 12.052 0.644 1.00 0.00 C ATOM 746 CD GLN A 49 2.937 11.543 1.744 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.151 11.604 1.639 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.306 11.039 2.800 1.00 0.00 N ATOM 0 H GLN A 49 3.748 9.748 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 49 1.545 9.769 -0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.576 11.498 -0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.268 12.392 -1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.943 13.140 0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.995 11.671 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.286 11.019 2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.841 10.673 3.587 1.00 0.00 H new ATOM 757 N ASP A 50 0.807 10.908 -3.257 1.00 0.00 N ATOM 758 CA ASP A 50 -0.293 11.184 -4.166 1.00 0.00 C ATOM 759 C ASP A 50 -1.155 9.929 -4.313 1.00 0.00 C ATOM 760 O ASP A 50 -2.382 10.012 -4.319 1.00 0.00 O ATOM 761 CB ASP A 50 0.224 11.569 -5.554 1.00 0.00 C ATOM 762 CG ASP A 50 -0.147 12.980 -6.013 1.00 0.00 C ATOM 763 OD1 ASP A 50 -0.525 13.783 -5.133 1.00 0.00 O ATOM 764 OD2 ASP A 50 -0.045 13.224 -7.235 1.00 0.00 O ATOM 0 H ASP A 50 1.735 11.004 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.872 12.011 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.310 11.475 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.162 10.854 -6.280 1.00 0.00 H new ATOM 769 N MET A 51 -0.479 8.795 -4.428 1.00 0.00 N ATOM 770 CA MET A 51 -1.168 7.525 -4.575 1.00 0.00 C ATOM 771 C MET A 51 -1.975 7.191 -3.319 1.00 0.00 C ATOM 772 O MET A 51 -3.153 6.846 -3.408 1.00 0.00 O ATOM 773 CB MET A 51 -0.145 6.416 -4.835 1.00 0.00 C ATOM 774 CG MET A 51 0.737 6.755 -6.038 1.00 0.00 C ATOM 775 SD MET A 51 2.158 5.677 -6.076 1.00 0.00 S ATOM 776 CE MET A 51 2.313 5.428 -7.837 1.00 0.00 C ATOM 0 H MET A 51 0.539 8.730 -4.422 1.00 0.00 H new ATOM 0 HA MET A 51 -1.856 7.601 -5.417 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.477 6.276 -3.951 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.663 5.473 -5.013 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.165 6.649 -6.960 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.060 7.794 -5.981 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.211 4.846 -8.045 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.439 4.892 -8.207 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.384 6.394 -8.336 1.00 0.00 H new ATOM 786 N ILE A 52 -1.310 7.304 -2.179 1.00 0.00 N ATOM 787 CA ILE A 52 -1.952 7.019 -0.907 1.00 0.00 C ATOM 788 C ILE A 52 -3.129 7.975 -0.708 1.00 0.00 C ATOM 789 O ILE A 52 -4.078 7.657 0.007 1.00 0.00 O ATOM 790 CB ILE A 52 -0.928 7.058 0.230 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.022 5.825 0.195 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.619 7.223 1.584 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.472 5.469 1.598 1.00 0.00 C ATOM 0 H ILE A 52 -0.333 7.589 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.359 6.008 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.290 7.930 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.567 4.981 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.830 6.014 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.869 7.248 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.186 8.154 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.296 6.385 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.114 4.589 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.037 6.306 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.382 5.257 2.242 1.00 0.00 H new ATOM 805 N ASN A 53 -3.028 9.129 -1.353 1.00 0.00 N ATOM 806 CA ASN A 53 -4.073 10.134 -1.255 1.00 0.00 C ATOM 807 C ASN A 53 -5.196 9.793 -2.237 1.00 0.00 C ATOM 808 O ASN A 53 -6.127 10.576 -2.417 1.00 0.00 O ATOM 809 CB ASN A 53 -3.537 11.521 -1.613 1.00 0.00 C ATOM 810 CG ASN A 53 -3.013 12.244 -0.370 1.00 0.00 C ATOM 811 OD1 ASN A 53 -3.449 12.011 0.745 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.056 13.132 -0.624 1.00 0.00 N ATOM 0 H ASN A 53 -2.239 9.390 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.438 10.142 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.737 11.427 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.327 12.112 -2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.641 13.667 0.139 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.737 13.278 -1.582 1.00 0.00 H new ATOM 819 N GLU A 54 -5.071 8.623 -2.846 1.00 0.00 N ATOM 820 CA GLU A 54 -6.064 8.169 -3.805 1.00 0.00 C ATOM 821 C GLU A 54 -6.947 7.086 -3.182 1.00 0.00 C ATOM 822 O GLU A 54 -8.059 6.843 -3.647 1.00 0.00 O ATOM 823 CB GLU A 54 -5.398 7.663 -5.086 1.00 0.00 C ATOM 824 CG GLU A 54 -4.603 8.779 -5.768 1.00 0.00 C ATOM 825 CD GLU A 54 -4.855 8.788 -7.277 1.00 0.00 C ATOM 826 OE1 GLU A 54 -5.806 9.486 -7.690 1.00 0.00 O ATOM 827 OE2 GLU A 54 -4.091 8.096 -7.984 1.00 0.00 O ATOM 0 H GLU A 54 -4.297 7.976 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.696 9.016 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.735 6.830 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.157 7.283 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.884 9.743 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.539 8.643 -5.574 1.00 0.00 H new ATOM 834 N VAL A 55 -6.418 6.463 -2.139 1.00 0.00 N ATOM 835 CA VAL A 55 -7.144 5.411 -1.448 1.00 0.00 C ATOM 836 C VAL A 55 -7.529 5.898 -0.049 1.00 0.00 C ATOM 837 O VAL A 55 -8.658 5.694 0.394 1.00 0.00 O ATOM 838 CB VAL A 55 -6.311 4.128 -1.426 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.816 3.129 -2.470 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.827 4.434 -1.633 1.00 0.00 C ATOM 0 H VAL A 55 -5.495 6.667 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.068 5.174 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.424 3.672 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.207 2.226 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.855 2.875 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.747 3.574 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.258 3.505 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.688 4.924 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.477 5.091 -0.837 1.00 0.00 H new ATOM 850 N ASP A 56 -6.568 6.532 0.607 1.00 0.00 N ATOM 851 CA ASP A 56 -6.793 7.049 1.946 1.00 0.00 C ATOM 852 C ASP A 56 -7.638 8.322 1.862 1.00 0.00 C ATOM 853 O ASP A 56 -7.140 9.377 1.472 1.00 0.00 O ATOM 854 CB ASP A 56 -5.470 7.404 2.628 1.00 0.00 C ATOM 855 CG ASP A 56 -5.608 8.087 3.991 1.00 0.00 C ATOM 856 OD1 ASP A 56 -6.256 7.476 4.868 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.061 9.203 4.124 1.00 0.00 O ATOM 0 H ASP A 56 -5.633 6.699 0.236 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.302 6.278 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.887 6.492 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.902 8.058 1.967 1.00 0.00 H new ATOM 862 N ALA A 57 -8.901 8.180 2.234 1.00 0.00 N ATOM 863 CA ALA A 57 -9.820 9.305 2.205 1.00 0.00 C ATOM 864 C ALA A 57 -9.838 9.979 3.579 1.00 0.00 C ATOM 865 O ALA A 57 -10.341 11.092 3.722 1.00 0.00 O ATOM 866 CB ALA A 57 -11.207 8.822 1.775 1.00 0.00 C ATOM 0 H ALA A 57 -9.310 7.303 2.557 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.493 10.048 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.896 9.666 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.146 8.378 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.569 8.077 2.484 1.00 0.00 H new ATOM 872 N ASP A 58 -9.284 9.275 4.555 1.00 0.00 N ATOM 873 CA ASP A 58 -9.230 9.791 5.912 1.00 0.00 C ATOM 874 C ASP A 58 -8.145 10.865 6.002 1.00 0.00 C ATOM 875 O ASP A 58 -8.302 11.853 6.718 1.00 0.00 O ATOM 876 CB ASP A 58 -8.883 8.683 6.909 1.00 0.00 C ATOM 877 CG ASP A 58 -7.453 8.728 7.453 1.00 0.00 C ATOM 878 OD1 ASP A 58 -7.126 9.742 8.107 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.720 7.747 7.203 1.00 0.00 O ATOM 0 H ASP A 58 -8.869 8.351 4.433 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.210 10.202 6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.577 8.739 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.042 7.718 6.427 1.00 0.00 H new ATOM 884 N GLY A 59 -7.067 10.636 5.266 1.00 0.00 N ATOM 885 CA GLY A 59 -5.956 11.572 5.253 1.00 0.00 C ATOM 886 C GLY A 59 -5.056 11.371 6.474 1.00 0.00 C ATOM 887 O GLY A 59 -4.469 12.326 6.981 1.00 0.00 O ATOM 0 H GLY A 59 -6.940 9.815 4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.374 11.438 4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.336 12.593 5.241 1.00 0.00 H new ATOM 891 N ASN A 60 -4.977 10.123 6.912 1.00 0.00 N ATOM 892 CA ASN A 60 -4.158 9.785 8.064 1.00 0.00 C ATOM 893 C ASN A 60 -2.693 9.690 7.633 1.00 0.00 C ATOM 894 O ASN A 60 -1.791 9.777 8.464 1.00 0.00 O ATOM 895 CB ASN A 60 -4.567 8.432 8.651 1.00 0.00 C ATOM 896 CG ASN A 60 -4.277 7.297 7.668 1.00 0.00 C ATOM 897 OD1 ASN A 60 -4.302 7.466 6.459 1.00 0.00 O ATOM 898 ND2 ASN A 60 -4.000 6.134 8.250 1.00 0.00 N ATOM 0 H ASN A 60 -5.466 9.334 6.490 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.296 10.562 8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.028 8.258 9.582 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.629 8.444 8.895 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.792 5.315 7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.996 6.061 9.267 1.00 0.00 H new ATOM 905 N GLY A 61 -2.502 9.512 6.334 1.00 0.00 N ATOM 906 CA GLY A 61 -1.162 9.404 5.782 1.00 0.00 C ATOM 907 C GLY A 61 -0.817 7.949 5.459 1.00 0.00 C ATOM 908 O GLY A 61 -0.155 7.672 4.461 1.00 0.00 O ATOM 0 H GLY A 61 -3.253 9.440 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.088 10.008 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.439 9.804 6.493 1.00 0.00 H new ATOM 912 N THR A 62 -1.283 7.058 6.322 1.00 0.00 N ATOM 913 CA THR A 62 -1.033 5.638 6.140 1.00 0.00 C ATOM 914 C THR A 62 -2.232 4.967 5.468 1.00 0.00 C ATOM 915 O THR A 62 -3.314 5.547 5.398 1.00 0.00 O ATOM 916 CB THR A 62 -0.688 5.041 7.506 1.00 0.00 C ATOM 917 OG1 THR A 62 0.101 6.046 8.136 1.00 0.00 O ATOM 918 CG2 THR A 62 0.254 3.840 7.399 1.00 0.00 C ATOM 0 H THR A 62 -1.832 7.292 7.149 1.00 0.00 H new ATOM 0 HA THR A 62 -0.189 5.467 5.472 1.00 0.00 H new ATOM 0 HB THR A 62 -1.605 4.739 8.012 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.367 5.742 9.029 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.467 3.455 8.396 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.218 3.060 6.801 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.185 4.149 6.923 1.00 0.00 H new ATOM 926 N ILE A 63 -1.999 3.753 4.991 1.00 0.00 N ATOM 927 CA ILE A 63 -3.047 2.996 4.327 1.00 0.00 C ATOM 928 C ILE A 63 -3.378 1.755 5.157 1.00 0.00 C ATOM 929 O ILE A 63 -2.479 1.085 5.664 1.00 0.00 O ATOM 930 CB ILE A 63 -2.648 2.683 2.883 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.508 3.966 2.062 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.629 1.698 2.245 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.785 4.251 1.269 1.00 0.00 C ATOM 0 H ILE A 63 -1.100 3.275 5.051 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.960 3.587 4.260 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.670 2.201 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.292 4.804 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.664 3.874 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.323 1.492 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.634 0.769 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.630 2.130 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.659 5.168 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.984 3.422 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.623 4.366 1.957 1.00 0.00 H new ATOM 945 N ASP A 64 -4.670 1.485 5.271 1.00 0.00 N ATOM 946 CA ASP A 64 -5.131 0.336 6.031 1.00 0.00 C ATOM 947 C ASP A 64 -5.702 -0.709 5.071 1.00 0.00 C ATOM 948 O ASP A 64 -5.544 -0.594 3.857 1.00 0.00 O ATOM 949 CB ASP A 64 -6.237 0.732 7.012 1.00 0.00 C ATOM 950 CG ASP A 64 -5.834 1.777 8.053 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.859 2.509 7.776 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.509 1.821 9.104 1.00 0.00 O ATOM 0 H ASP A 64 -5.413 2.043 4.849 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.283 -0.063 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.085 1.115 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.579 -0.163 7.531 1.00 0.00 H new ATOM 957 N PHE A 65 -6.354 -1.706 5.652 1.00 0.00 N ATOM 958 CA PHE A 65 -6.949 -2.771 4.863 1.00 0.00 C ATOM 959 C PHE A 65 -8.217 -2.287 4.157 1.00 0.00 C ATOM 960 O PHE A 65 -8.424 -2.575 2.979 1.00 0.00 O ATOM 961 CB PHE A 65 -7.317 -3.895 5.834 1.00 0.00 C ATOM 962 CG PHE A 65 -7.613 -5.233 5.154 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.855 -5.643 4.102 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.634 -6.012 5.601 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.129 -6.885 3.471 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.909 -7.254 4.970 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.151 -7.664 3.918 1.00 0.00 C ATOM 0 H PHE A 65 -6.483 -1.798 6.660 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.246 -3.106 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.499 -4.032 6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.191 -3.591 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.045 -5.024 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.236 -5.686 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.526 -7.211 2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.720 -7.873 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.360 -8.608 3.437 1.00 0.00 H new ATOM 977 N PRO A 66 -9.055 -1.542 4.927 1.00 0.00 N ATOM 978 CA PRO A 66 -10.297 -1.015 4.387 1.00 0.00 C ATOM 979 C PRO A 66 -10.032 0.174 3.462 1.00 0.00 C ATOM 980 O PRO A 66 -10.930 0.624 2.751 1.00 0.00 O ATOM 981 CB PRO A 66 -11.129 -0.647 5.604 1.00 0.00 C ATOM 982 CG PRO A 66 -10.151 -0.546 6.763 1.00 0.00 C ATOM 983 CD PRO A 66 -8.842 -1.181 6.325 1.00 0.00 C ATOM 0 HA PRO A 66 -10.825 -1.737 3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.650 0.298 5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.890 -1.403 5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.995 0.496 7.041 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.547 -1.055 7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.009 -0.486 6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.605 -2.057 6.929 1.00 0.00 H new ATOM 991 N GLU A 67 -8.796 0.650 3.501 1.00 0.00 N ATOM 992 CA GLU A 67 -8.403 1.779 2.675 1.00 0.00 C ATOM 993 C GLU A 67 -7.663 1.291 1.427 1.00 0.00 C ATOM 994 O GLU A 67 -7.586 2.004 0.428 1.00 0.00 O ATOM 995 CB GLU A 67 -7.546 2.767 3.469 1.00 0.00 C ATOM 996 CG GLU A 67 -8.076 2.929 4.895 1.00 0.00 C ATOM 997 CD GLU A 67 -7.002 3.513 5.816 1.00 0.00 C ATOM 998 OE1 GLU A 67 -5.870 3.700 5.320 1.00 0.00 O ATOM 999 OE2 GLU A 67 -7.338 3.760 6.994 1.00 0.00 O ATOM 0 H GLU A 67 -8.054 0.275 4.092 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.304 2.304 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.514 2.417 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.541 3.735 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.950 3.581 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.402 1.962 5.278 1.00 0.00 H new ATOM 1006 N PHE A 68 -7.138 0.078 1.526 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.407 -0.513 0.418 1.00 0.00 C ATOM 1008 C PHE A 68 -7.299 -1.467 -0.379 1.00 0.00 C ATOM 1009 O PHE A 68 -7.143 -1.600 -1.592 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.245 -1.305 1.021 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.823 -2.519 0.191 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.567 -3.657 0.225 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.704 -2.460 -0.579 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -5.175 -4.784 -0.545 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.312 -3.587 -1.349 1.00 0.00 C ATOM 1016 CZ PHE A 68 -4.056 -4.726 -1.316 1.00 0.00 C ATOM 0 H PHE A 68 -7.204 -0.511 2.356 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.060 0.268 -0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.388 -0.642 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.526 -1.640 2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.455 -3.704 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.113 -1.556 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.766 -5.688 -0.518 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.423 -3.540 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.758 -5.583 -1.902 1.00 0.00 H new ATOM 1026 N LEU A 69 -8.214 -2.106 0.334 1.00 0.00 N ATOM 1027 CA LEU A 69 -9.131 -3.044 -0.292 1.00 0.00 C ATOM 1028 C LEU A 69 -9.704 -2.417 -1.565 1.00 0.00 C ATOM 1029 O LEU A 69 -10.033 -3.125 -2.515 1.00 0.00 O ATOM 1030 CB LEU A 69 -10.199 -3.497 0.706 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.803 -4.644 1.637 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.695 -4.673 2.880 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.812 -5.981 0.894 1.00 0.00 C ATOM 0 H LEU A 69 -8.341 -1.993 1.340 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.604 -3.950 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.483 -2.641 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.085 -3.798 0.148 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.782 -4.472 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.393 -5.498 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.595 -3.732 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.734 -4.810 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.527 -6.780 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.812 -6.175 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.103 -5.942 0.067 1.00 0.00 H new ATOM 1045 N THR A 70 -9.807 -1.096 -1.541 1.00 0.00 N ATOM 1046 CA THR A 70 -10.335 -0.366 -2.681 1.00 0.00 C ATOM 1047 C THR A 70 -9.365 -0.448 -3.862 1.00 0.00 C ATOM 1048 O THR A 70 -9.789 -0.579 -5.009 1.00 0.00 O ATOM 1049 CB THR A 70 -10.626 1.067 -2.231 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.665 1.810 -3.446 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.461 1.684 -1.454 1.00 0.00 C ATOM 0 H THR A 70 -9.534 -0.513 -0.750 1.00 0.00 H new ATOM 0 HA THR A 70 -11.267 -0.806 -3.036 1.00 0.00 H new ATOM 0 HB THR A 70 -11.522 1.079 -1.611 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.850 2.752 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.719 2.701 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.260 1.087 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.573 1.704 -2.085 1.00 0.00 H new ATOM 1059 N MET A 71 -8.083 -0.366 -3.540 1.00 0.00 N ATOM 1060 CA MET A 71 -7.050 -0.429 -4.560 1.00 0.00 C ATOM 1061 C MET A 71 -7.176 -1.708 -5.390 1.00 0.00 C ATOM 1062 O MET A 71 -7.016 -1.679 -6.609 1.00 0.00 O ATOM 1063 CB MET A 71 -5.672 -0.385 -3.895 1.00 0.00 C ATOM 1064 CG MET A 71 -4.854 0.802 -4.407 1.00 0.00 C ATOM 1065 SD MET A 71 -3.330 0.224 -5.136 1.00 0.00 S ATOM 1066 CE MET A 71 -2.488 1.780 -5.369 1.00 0.00 C ATOM 0 H MET A 71 -7.736 -0.256 -2.587 1.00 0.00 H new ATOM 0 HA MET A 71 -7.170 0.426 -5.225 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.788 -0.312 -2.814 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.137 -1.313 -4.096 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.431 1.361 -5.144 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.638 1.486 -3.587 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.511 1.601 -5.819 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.079 2.419 -6.026 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.359 2.272 -4.405 1.00 0.00 H new ATOM 1076 N MET A 72 -7.461 -2.800 -4.696 1.00 0.00 N ATOM 1077 CA MET A 72 -7.610 -4.087 -5.354 1.00 0.00 C ATOM 1078 C MET A 72 -8.891 -4.130 -6.190 1.00 0.00 C ATOM 1079 O MET A 72 -8.892 -4.652 -7.304 1.00 0.00 O ATOM 1080 CB MET A 72 -7.650 -5.197 -4.302 1.00 0.00 C ATOM 1081 CG MET A 72 -6.351 -5.234 -3.495 1.00 0.00 C ATOM 1082 SD MET A 72 -5.452 -6.735 -3.853 1.00 0.00 S ATOM 1083 CE MET A 72 -4.086 -6.063 -4.785 1.00 0.00 C ATOM 0 H MET A 72 -7.593 -2.820 -3.685 1.00 0.00 H new ATOM 0 HA MET A 72 -6.759 -4.235 -6.019 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.494 -5.037 -3.632 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.807 -6.159 -4.789 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.738 -4.366 -3.738 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.574 -5.179 -2.429 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.421 -6.871 -5.090 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.466 -5.552 -5.670 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.536 -5.355 -4.165 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.950 -3.574 -5.621 1.00 0.00 N ATOM 1094 CA ALA A 73 -11.234 -3.542 -6.300 1.00 0.00 C ATOM 1095 C ALA A 73 -11.085 -2.798 -7.629 1.00 0.00 C ATOM 1096 O ALA A 73 -11.592 -3.247 -8.656 1.00 0.00 O ATOM 1097 CB ALA A 73 -12.280 -2.900 -5.386 1.00 0.00 C ATOM 0 H ALA A 73 -9.945 -3.142 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.574 -4.553 -6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.243 -2.876 -5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.369 -3.483 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.974 -1.883 -5.141 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.389 -1.673 -7.565 1.00 0.00 N ATOM 1104 CA ARG A 74 -10.167 -0.862 -8.750 1.00 0.00 C ATOM 1105 C ARG A 74 -8.683 -0.858 -9.121 1.00 0.00 C ATOM 1106 O ARG A 74 -8.036 0.188 -9.094 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.635 0.578 -8.528 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.917 1.209 -7.333 1.00 0.00 C ATOM 1109 CD ARG A 74 -9.358 2.586 -7.694 1.00 0.00 C ATOM 1110 NE ARG A 74 -9.924 3.614 -6.792 1.00 0.00 N ATOM 1111 CZ ARG A 74 -9.720 4.931 -6.933 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -8.963 5.389 -7.939 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -10.273 5.791 -6.066 1.00 0.00 N ATOM 0 H ARG A 74 -9.971 -1.304 -6.711 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.746 -1.299 -9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.445 1.168 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.712 0.592 -8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.609 1.302 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.106 0.558 -7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.271 2.579 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.600 2.826 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.505 3.301 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.541 4.735 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.808 6.392 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.849 5.443 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.118 6.793 -6.173 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.186 -2.039 -9.457 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.790 -2.185 -9.832 1.00 0.00 C ATOM 1129 C LYS A 75 -6.379 -1.008 -10.720 1.00 0.00 C ATOM 1130 O LYS A 75 -7.208 -0.447 -11.435 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.547 -3.553 -10.473 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.945 -4.532 -9.463 1.00 0.00 C ATOM 1133 CD LYS A 75 -6.121 -5.978 -9.930 1.00 0.00 C ATOM 1134 CE LYS A 75 -7.581 -6.419 -9.813 1.00 0.00 C ATOM 1135 NZ LYS A 75 -7.714 -7.860 -10.123 1.00 0.00 N ATOM 1136 OXT LYS A 75 -5.101 -0.670 -10.645 1.00 0.00 O ATOM 0 H LYS A 75 -8.726 -2.904 -9.477 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.153 -2.156 -8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.487 -3.951 -10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.876 -3.445 -11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.885 -4.316 -9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.423 -4.399 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.791 -6.072 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.490 -6.636 -9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.947 -6.223 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.199 -5.836 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.711 -8.143 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.384 -8.038 -11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.140 -8.413 -9.455 1.00 0.00 H new