USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 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 43 THR OG1 : rot 28:sc= 1.31 USER MOD Set 1.2: A 63 THR OG1 : rot -177:sc= 1.21 USER MOD Set 1.3: A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 14 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 18 GLN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.12) USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0221) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.2) USER MOD Single : A 29 SER OG : rot 98:sc= 0.424 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 2.36 (180deg=2.21) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0566 K(o=-0.057,f=-4.3!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 42:sc= 0.244 USER MOD Single : A 75 ASN : amide:sc= -0.458! X(o=-0.46!,f=-0.063) USER MOD Single : A 80 MET CE :methyl 175:sc= -0.405 (180deg=-0.567) USER MOD Single : A 81 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.72) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 86 CYS SG : rot -150:sc= -3.17! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -160:sc= -0.0827 (180deg=-0.431) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.13) USER MOD Single : A 93 MET CE :methyl -178:sc= -2.14 (180deg=-2.21) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.254 1.615 -6.808 1.00 0.00 N ATOM 94 CA GLU A 9 4.901 1.269 -7.142 1.00 0.00 C ATOM 95 C GLU A 9 4.836 -0.174 -7.623 1.00 0.00 C ATOM 96 O GLU A 9 3.829 -0.846 -7.452 1.00 0.00 O ATOM 97 CB GLU A 9 4.370 2.256 -8.153 1.00 0.00 C ATOM 98 CG GLU A 9 2.879 2.116 -8.441 1.00 0.00 C ATOM 99 CD GLU A 9 2.549 1.306 -9.688 1.00 0.00 C ATOM 100 OE1 GLU A 9 3.332 1.351 -10.667 1.00 0.00 O ATOM 101 OE2 GLU A 9 1.502 0.605 -9.719 1.00 0.00 O ATOM 0 HA GLU A 9 4.261 1.331 -6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.566 3.267 -7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.921 2.136 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.398 1.648 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.447 3.111 -8.545 1.00 0.00 H new ATOM 108 N TRP A 10 5.949 -0.660 -8.179 1.00 0.00 N ATOM 109 CA TRP A 10 6.065 -2.050 -8.561 1.00 0.00 C ATOM 110 C TRP A 10 5.949 -2.933 -7.334 1.00 0.00 C ATOM 111 O TRP A 10 5.164 -3.861 -7.330 1.00 0.00 O ATOM 112 CB TRP A 10 7.385 -2.351 -9.304 1.00 0.00 C ATOM 113 CG TRP A 10 7.612 -3.826 -9.548 1.00 0.00 C ATOM 114 CD1 TRP A 10 7.077 -4.592 -10.540 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.421 -4.716 -8.756 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.508 -5.885 -10.422 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.327 -5.991 -9.337 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.214 -4.553 -7.617 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.988 -7.096 -8.820 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.867 -5.650 -7.101 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.752 -6.908 -7.703 1.00 0.00 C ATOM 0 H TRP A 10 6.780 -0.100 -8.371 1.00 0.00 H new ATOM 0 HA TRP A 10 5.250 -2.265 -9.252 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.383 -1.828 -10.260 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.218 -1.953 -8.725 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.409 -4.231 -11.308 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.256 -6.650 -11.048 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.313 -3.584 -7.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.902 -8.068 -9.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.478 -5.538 -6.217 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.279 -7.748 -7.275 1.00 0.00 H new ATOM 132 N THR A 11 6.720 -2.638 -6.290 1.00 0.00 N ATOM 133 CA THR A 11 6.675 -3.441 -5.084 1.00 0.00 C ATOM 134 C THR A 11 5.260 -3.435 -4.503 1.00 0.00 C ATOM 135 O THR A 11 4.711 -4.483 -4.162 1.00 0.00 O ATOM 136 CB THR A 11 7.714 -2.975 -4.035 1.00 0.00 C ATOM 137 OG1 THR A 11 8.997 -2.830 -4.678 1.00 0.00 O ATOM 138 CG2 THR A 11 7.840 -4.032 -2.948 1.00 0.00 C ATOM 0 H THR A 11 7.375 -1.856 -6.260 1.00 0.00 H new ATOM 0 HA THR A 11 6.940 -4.464 -5.352 1.00 0.00 H new ATOM 0 HB THR A 11 7.395 -2.027 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.661 -2.534 -4.021 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.571 -3.707 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.873 -4.175 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.166 -4.973 -3.391 1.00 0.00 H new ATOM 146 N LEU A 12 4.658 -2.264 -4.494 1.00 0.00 N ATOM 147 CA LEU A 12 3.295 -2.097 -4.036 1.00 0.00 C ATOM 148 C LEU A 12 2.321 -2.931 -4.840 1.00 0.00 C ATOM 149 O LEU A 12 1.560 -3.718 -4.274 1.00 0.00 O ATOM 150 CB LEU A 12 2.888 -0.647 -4.117 1.00 0.00 C ATOM 151 CG LEU A 12 3.472 0.272 -3.075 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.037 1.703 -3.335 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.029 -0.177 -1.694 1.00 0.00 C ATOM 0 H LEU A 12 5.101 -1.399 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 12 3.263 -2.436 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.166 -0.269 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.801 -0.593 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 12 4.560 0.230 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.465 2.357 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.383 2.015 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.949 1.765 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.452 0.489 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.941 -0.148 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.375 -1.195 -1.514 1.00 0.00 H new ATOM 165 N GLN A 13 2.362 -2.784 -6.159 1.00 0.00 N ATOM 166 CA GLN A 13 1.440 -3.489 -7.019 1.00 0.00 C ATOM 167 C GLN A 13 1.647 -4.992 -6.891 1.00 0.00 C ATOM 168 O GLN A 13 0.707 -5.725 -6.821 1.00 0.00 O ATOM 169 CB GLN A 13 1.545 -3.034 -8.495 1.00 0.00 C ATOM 170 CG GLN A 13 2.742 -3.576 -9.266 1.00 0.00 C ATOM 171 CD GLN A 13 2.856 -3.044 -10.681 1.00 0.00 C ATOM 172 OE1 GLN A 13 3.325 -3.748 -11.582 1.00 0.00 O ATOM 173 NE2 GLN A 13 2.500 -1.807 -10.891 1.00 0.00 N ATOM 0 H GLN A 13 3.025 -2.183 -6.648 1.00 0.00 H new ATOM 0 HA GLN A 13 0.430 -3.243 -6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.635 -3.333 -9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.582 -1.945 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.654 -3.330 -8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.676 -4.663 -9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.116 -1.250 -10.128 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.606 -1.396 -11.819 1.00 0.00 H new ATOM 182 N THR A 14 2.895 -5.418 -6.777 1.00 0.00 N ATOM 183 CA THR A 14 3.225 -6.819 -6.663 1.00 0.00 C ATOM 184 C THR A 14 2.608 -7.419 -5.388 1.00 0.00 C ATOM 185 O THR A 14 1.980 -8.480 -5.435 1.00 0.00 O ATOM 186 CB THR A 14 4.759 -7.018 -6.712 1.00 0.00 C ATOM 187 OG1 THR A 14 5.253 -6.398 -7.909 1.00 0.00 O ATOM 188 CG2 THR A 14 5.129 -8.485 -6.768 1.00 0.00 C ATOM 0 H THR A 14 3.704 -4.797 -6.761 1.00 0.00 H new ATOM 0 HA THR A 14 2.798 -7.353 -7.512 1.00 0.00 H new ATOM 0 HB THR A 14 5.191 -6.580 -5.812 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.589 -5.502 -7.699 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.214 -8.586 -6.801 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.745 -8.991 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.695 -8.936 -7.661 1.00 0.00 H new ATOM 196 N LEU A 15 2.735 -6.713 -4.276 1.00 0.00 N ATOM 197 CA LEU A 15 2.139 -7.135 -3.009 1.00 0.00 C ATOM 198 C LEU A 15 0.617 -7.160 -3.118 1.00 0.00 C ATOM 199 O LEU A 15 -0.036 -8.157 -2.783 1.00 0.00 O ATOM 200 CB LEU A 15 2.546 -6.166 -1.903 1.00 0.00 C ATOM 201 CG LEU A 15 4.036 -6.093 -1.587 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.325 -4.877 -0.734 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.489 -7.352 -0.858 1.00 0.00 C ATOM 0 H LEU A 15 3.251 -5.835 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 15 2.496 -8.138 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.205 -5.168 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.016 -6.443 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 15 4.585 -6.014 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.391 -4.833 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.028 -3.977 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.764 -4.945 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.555 -7.283 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.934 -7.452 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.303 -8.223 -1.486 1.00 0.00 H new ATOM 215 N LEU A 16 0.065 -6.095 -3.648 1.00 0.00 N ATOM 216 CA LEU A 16 -1.370 -5.944 -3.747 1.00 0.00 C ATOM 217 C LEU A 16 -1.978 -6.821 -4.870 1.00 0.00 C ATOM 218 O LEU A 16 -3.175 -6.999 -4.945 1.00 0.00 O ATOM 219 CB LEU A 16 -1.743 -4.463 -3.896 1.00 0.00 C ATOM 220 CG LEU A 16 -1.274 -3.519 -2.768 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.652 -2.091 -3.078 1.00 0.00 C ATOM 222 CD2 LEU A 16 -1.879 -3.919 -1.440 1.00 0.00 C ATOM 0 H LEU A 16 0.596 -5.309 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.810 -6.307 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.331 -4.100 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.828 -4.390 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.189 -3.599 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.313 -1.441 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.182 -1.785 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.735 -2.014 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.533 -3.238 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.966 -3.871 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.575 -4.936 -1.193 1.00 0.00 H new ATOM 234 N GLU A 17 -1.153 -7.354 -5.751 1.00 0.00 N ATOM 235 CA GLU A 17 -1.641 -8.308 -6.741 1.00 0.00 C ATOM 236 C GLU A 17 -1.566 -9.721 -6.193 1.00 0.00 C ATOM 237 O GLU A 17 -1.968 -10.684 -6.849 1.00 0.00 O ATOM 238 CB GLU A 17 -0.917 -8.206 -8.086 1.00 0.00 C ATOM 239 CG GLU A 17 -1.184 -6.904 -8.834 1.00 0.00 C ATOM 240 CD GLU A 17 -0.611 -6.907 -10.228 1.00 0.00 C ATOM 241 OE1 GLU A 17 0.619 -6.804 -10.386 1.00 0.00 O ATOM 242 OE2 GLU A 17 -1.391 -7.017 -11.199 1.00 0.00 O ATOM 0 H GLU A 17 -0.155 -7.150 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.682 -8.052 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.156 -8.304 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.219 -9.043 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.259 -6.734 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.758 -6.073 -8.272 1.00 0.00 H new ATOM 249 N GLN A 18 -1.037 -9.839 -4.997 1.00 0.00 N ATOM 250 CA GLN A 18 -0.988 -11.096 -4.282 1.00 0.00 C ATOM 251 C GLN A 18 -2.110 -11.122 -3.258 1.00 0.00 C ATOM 252 O GLN A 18 -2.890 -12.075 -3.195 1.00 0.00 O ATOM 253 CB GLN A 18 0.374 -11.282 -3.615 1.00 0.00 C ATOM 254 CG GLN A 18 1.503 -11.539 -4.594 1.00 0.00 C ATOM 255 CD GLN A 18 2.862 -11.489 -3.937 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.374 -12.492 -3.438 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.456 -10.334 -3.947 1.00 0.00 N ATOM 0 H GLN A 18 -0.624 -9.058 -4.487 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.123 -11.922 -4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.607 -10.392 -3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.315 -12.116 -2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.363 -12.516 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.462 -10.799 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.997 -9.528 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.382 -10.233 -3.531 1.00 0.00 H new ATOM 266 N LEU A 19 -2.209 -10.056 -2.489 1.00 0.00 N ATOM 267 CA LEU A 19 -3.271 -9.900 -1.521 1.00 0.00 C ATOM 268 C LEU A 19 -4.313 -8.986 -2.178 1.00 0.00 C ATOM 269 O LEU A 19 -3.995 -7.881 -2.558 1.00 0.00 O ATOM 270 CB LEU A 19 -2.704 -9.251 -0.216 1.00 0.00 C ATOM 271 CG LEU A 19 -2.490 -7.725 -0.241 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.649 -6.980 0.392 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.170 -7.292 0.306 1.00 0.00 C ATOM 0 H LEU A 19 -1.554 -9.275 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.714 -10.856 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.382 -9.486 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.750 -9.725 0.013 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.465 -7.450 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.457 -5.908 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.566 -7.204 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.758 -7.292 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.094 -6.206 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.083 -7.613 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.368 -7.740 -0.281 1.00 0.00 H new ATOM 285 N ASN A 20 -5.517 -9.449 -2.391 1.00 0.00 N ATOM 286 CA ASN A 20 -6.508 -8.590 -3.046 1.00 0.00 C ATOM 287 C ASN A 20 -7.932 -9.055 -2.912 1.00 0.00 C ATOM 288 O ASN A 20 -8.739 -8.317 -2.387 1.00 0.00 O ATOM 289 CB ASN A 20 -6.162 -8.297 -4.529 1.00 0.00 C ATOM 290 CG ASN A 20 -5.866 -9.542 -5.324 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.736 -10.132 -5.960 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.657 -9.993 -5.223 1.00 0.00 N ATOM 0 H ASN A 20 -5.842 -10.382 -2.136 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.445 -7.655 -2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.994 -7.767 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.299 -7.633 -4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.399 -10.867 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.962 -9.474 -4.686 1.00 0.00 H new ATOM 299 N GLU A 21 -8.215 -10.290 -3.318 1.00 0.00 N ATOM 300 CA GLU A 21 -9.592 -10.812 -3.415 1.00 0.00 C ATOM 301 C GLU A 21 -10.394 -10.533 -2.124 1.00 0.00 C ATOM 302 O GLU A 21 -11.243 -9.644 -2.092 1.00 0.00 O ATOM 303 CB GLU A 21 -9.561 -12.314 -3.748 1.00 0.00 C ATOM 304 CG GLU A 21 -10.714 -12.812 -4.629 1.00 0.00 C ATOM 305 CD GLU A 21 -12.089 -12.612 -4.038 1.00 0.00 C ATOM 306 OE1 GLU A 21 -12.570 -13.507 -3.334 1.00 0.00 O ATOM 307 OE2 GLU A 21 -12.719 -11.563 -4.296 1.00 0.00 O ATOM 0 H GLU A 21 -7.501 -10.965 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.105 -10.290 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.619 -12.539 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.569 -12.877 -2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.668 -12.299 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.569 -13.874 -4.828 1.00 0.00 H new ATOM 314 N ASP A 22 -10.089 -11.228 -1.064 1.00 0.00 N ATOM 315 CA ASP A 22 -10.779 -10.982 0.209 1.00 0.00 C ATOM 316 C ASP A 22 -9.860 -10.200 1.142 1.00 0.00 C ATOM 317 O ASP A 22 -10.261 -9.666 2.173 1.00 0.00 O ATOM 318 CB ASP A 22 -11.212 -12.317 0.835 1.00 0.00 C ATOM 319 CG ASP A 22 -11.978 -12.169 2.135 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.217 -11.987 2.102 1.00 0.00 O ATOM 321 OD2 ASP A 22 -11.362 -12.268 3.212 1.00 0.00 O ATOM 0 H ASP A 22 -9.381 -11.962 -1.036 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.676 -10.388 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.832 -12.858 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.326 -12.927 1.014 1.00 0.00 H new ATOM 326 N GLU A 23 -8.668 -10.032 0.673 1.00 0.00 N ATOM 327 CA GLU A 23 -7.572 -9.493 1.448 1.00 0.00 C ATOM 328 C GLU A 23 -7.604 -7.971 1.443 1.00 0.00 C ATOM 329 O GLU A 23 -7.367 -7.326 2.464 1.00 0.00 O ATOM 330 CB GLU A 23 -6.276 -9.949 0.803 1.00 0.00 C ATOM 331 CG GLU A 23 -6.303 -11.390 0.313 1.00 0.00 C ATOM 332 CD GLU A 23 -6.375 -12.409 1.415 1.00 0.00 C ATOM 333 OE1 GLU A 23 -7.472 -12.671 1.920 1.00 0.00 O ATOM 334 OE2 GLU A 23 -5.331 -12.997 1.755 1.00 0.00 O ATOM 0 H GLU A 23 -8.410 -10.269 -0.285 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.652 -9.842 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.051 -9.294 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.465 -9.835 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.160 -11.523 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.410 -11.577 -0.283 1.00 0.00 H new ATOM 341 N LEU A 24 -7.940 -7.399 0.293 1.00 0.00 N ATOM 342 CA LEU A 24 -7.881 -5.956 0.116 1.00 0.00 C ATOM 343 C LEU A 24 -8.986 -5.291 0.909 1.00 0.00 C ATOM 344 O LEU A 24 -8.863 -4.147 1.308 1.00 0.00 O ATOM 345 CB LEU A 24 -8.009 -5.595 -1.360 1.00 0.00 C ATOM 346 CG LEU A 24 -7.175 -4.421 -1.859 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.691 -4.705 -1.681 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.476 -4.152 -3.318 1.00 0.00 C ATOM 0 H LEU A 24 -8.256 -7.913 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.917 -5.600 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.744 -6.474 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.057 -5.378 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.434 -3.540 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.112 -3.855 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.476 -4.867 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.421 -5.596 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.875 -3.311 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.237 -5.037 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.533 -3.914 -3.433 1.00 0.00 H new ATOM 360 N LYS A 25 -10.045 -6.049 1.152 1.00 0.00 N ATOM 361 CA LYS A 25 -11.203 -5.594 1.915 1.00 0.00 C ATOM 362 C LYS A 25 -10.757 -5.152 3.309 1.00 0.00 C ATOM 363 O LYS A 25 -11.100 -4.063 3.773 1.00 0.00 O ATOM 364 CB LYS A 25 -12.188 -6.748 2.028 1.00 0.00 C ATOM 365 CG LYS A 25 -12.658 -7.286 0.687 1.00 0.00 C ATOM 366 CD LYS A 25 -13.342 -8.622 0.863 1.00 0.00 C ATOM 367 CE LYS A 25 -13.841 -9.200 -0.460 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.904 -8.397 -1.090 1.00 0.00 N ATOM 0 H LYS A 25 -10.127 -7.010 0.821 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.676 -4.749 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.722 -7.557 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.055 -6.419 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.345 -6.577 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.808 -7.392 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.648 -9.324 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.183 -8.509 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.002 -9.283 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.213 -10.210 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.266 -8.896 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.679 -8.253 -0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.519 -7.475 -1.377 1.00 0.00 H new ATOM 382 N SER A 26 -9.970 -5.992 3.939 1.00 0.00 N ATOM 383 CA SER A 26 -9.415 -5.748 5.212 1.00 0.00 C ATOM 384 C SER A 26 -8.404 -4.606 5.153 1.00 0.00 C ATOM 385 O SER A 26 -8.492 -3.640 5.910 1.00 0.00 O ATOM 386 CB SER A 26 -8.716 -7.014 5.597 1.00 0.00 C ATOM 387 OG SER A 26 -9.635 -8.091 5.663 1.00 0.00 O ATOM 0 H SER A 26 -9.700 -6.894 3.547 1.00 0.00 H new ATOM 0 HA SER A 26 -10.186 -5.464 5.929 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.935 -7.240 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.227 -6.887 6.563 1.00 0.00 H new ATOM 0 HG SER A 26 -9.161 -8.911 5.914 1.00 0.00 H new ATOM 393 N PHE A 27 -7.480 -4.735 4.223 1.00 0.00 N ATOM 394 CA PHE A 27 -6.379 -3.805 4.014 1.00 0.00 C ATOM 395 C PHE A 27 -6.872 -2.339 3.888 1.00 0.00 C ATOM 396 O PHE A 27 -6.366 -1.451 4.585 1.00 0.00 O ATOM 397 CB PHE A 27 -5.614 -4.261 2.762 1.00 0.00 C ATOM 398 CG PHE A 27 -4.375 -3.473 2.405 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.455 -2.314 1.651 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.126 -3.908 2.819 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.316 -1.605 1.320 1.00 0.00 C ATOM 402 CE2 PHE A 27 -1.984 -3.202 2.493 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.080 -2.049 1.743 1.00 0.00 C ATOM 0 H PHE A 27 -7.471 -5.516 3.567 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.717 -3.816 4.880 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.328 -5.304 2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.297 -4.226 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.419 -1.960 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.044 -4.812 3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.393 -0.704 0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.018 -3.553 2.825 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.189 -1.494 1.487 1.00 0.00 H new ATOM 413 N LYS A 28 -7.884 -2.110 3.033 1.00 0.00 N ATOM 414 CA LYS A 28 -8.441 -0.757 2.819 1.00 0.00 C ATOM 415 C LYS A 28 -8.991 -0.186 4.132 1.00 0.00 C ATOM 416 O LYS A 28 -8.704 0.949 4.506 1.00 0.00 O ATOM 417 CB LYS A 28 -9.562 -0.776 1.752 1.00 0.00 C ATOM 418 CG LYS A 28 -9.129 -1.271 0.374 1.00 0.00 C ATOM 419 CD LYS A 28 -10.304 -1.328 -0.607 1.00 0.00 C ATOM 420 CE LYS A 28 -9.889 -1.998 -1.913 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.971 -2.036 -2.925 1.00 0.00 N ATOM 0 H LYS A 28 -8.333 -2.839 2.479 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.631 -0.121 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.374 -1.408 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.964 0.232 1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.357 -0.612 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.685 -2.262 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.132 -1.878 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.664 -0.319 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.032 -1.468 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.563 -3.016 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.646 -2.563 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.807 -2.507 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.221 -1.065 -3.203 1.00 0.00 H new ATOM 435 N SER A 29 -9.748 -1.002 4.824 1.00 0.00 N ATOM 436 CA SER A 29 -10.360 -0.673 6.063 1.00 0.00 C ATOM 437 C SER A 29 -9.339 -0.353 7.154 1.00 0.00 C ATOM 438 O SER A 29 -9.452 0.656 7.856 1.00 0.00 O ATOM 439 CB SER A 29 -11.166 -1.863 6.446 1.00 0.00 C ATOM 440 OG SER A 29 -12.291 -2.019 5.602 1.00 0.00 O ATOM 0 H SER A 29 -9.956 -1.952 4.515 1.00 0.00 H new ATOM 0 HA SER A 29 -10.968 0.225 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.544 -2.757 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.496 -1.763 7.480 1.00 0.00 H new ATOM 0 HG SER A 29 -12.088 -2.677 4.905 1.00 0.00 H new ATOM 446 N LEU A 30 -8.376 -1.220 7.290 1.00 0.00 N ATOM 447 CA LEU A 30 -7.306 -1.085 8.268 1.00 0.00 C ATOM 448 C LEU A 30 -6.487 0.175 8.071 1.00 0.00 C ATOM 449 O LEU A 30 -6.103 0.823 9.045 1.00 0.00 O ATOM 450 CB LEU A 30 -6.415 -2.308 8.231 1.00 0.00 C ATOM 451 CG LEU A 30 -7.064 -3.601 8.716 1.00 0.00 C ATOM 452 CD1 LEU A 30 -6.174 -4.776 8.393 1.00 0.00 C ATOM 453 CD2 LEU A 30 -7.325 -3.543 10.219 1.00 0.00 C ATOM 0 H LEU A 30 -8.301 -2.061 6.718 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.774 -1.003 9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.070 -2.455 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.532 -2.113 8.840 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.019 -3.722 8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.644 -5.695 8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.023 -4.833 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.211 -4.650 8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.788 -4.475 10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.382 -3.403 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.992 -2.710 10.441 1.00 0.00 H new ATOM 465 N LEU A 31 -6.246 0.552 6.830 1.00 0.00 N ATOM 466 CA LEU A 31 -5.460 1.742 6.571 1.00 0.00 C ATOM 467 C LEU A 31 -6.310 2.986 6.804 1.00 0.00 C ATOM 468 O LEU A 31 -5.807 4.066 6.969 1.00 0.00 O ATOM 469 CB LEU A 31 -4.811 1.689 5.154 1.00 0.00 C ATOM 470 CG LEU A 31 -5.666 2.021 3.919 1.00 0.00 C ATOM 471 CD1 LEU A 31 -5.664 3.514 3.649 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.165 1.265 2.703 1.00 0.00 C ATOM 0 H LEU A 31 -6.576 0.062 5.999 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.628 1.789 7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.962 2.372 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.411 0.685 5.015 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.690 1.709 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.275 3.726 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.073 4.040 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.643 3.850 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.783 1.513 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.131 1.544 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.221 0.193 2.893 1.00 0.00 H new ATOM 484 N TRP A 32 -7.601 2.805 6.865 1.00 0.00 N ATOM 485 CA TRP A 32 -8.485 3.908 7.109 1.00 0.00 C ATOM 486 C TRP A 32 -8.641 4.124 8.617 1.00 0.00 C ATOM 487 O TRP A 32 -9.162 5.152 9.077 1.00 0.00 O ATOM 488 CB TRP A 32 -9.838 3.622 6.489 1.00 0.00 C ATOM 489 CG TRP A 32 -10.365 4.789 5.758 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.378 5.618 6.113 1.00 0.00 C ATOM 491 CD2 TRP A 32 -9.856 5.269 4.534 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.544 6.578 5.148 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.615 6.382 4.166 1.00 0.00 C ATOM 494 CE3 TRP A 32 -8.826 4.843 3.711 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.378 7.083 2.996 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.581 5.537 2.546 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.358 6.647 2.197 1.00 0.00 C ATOM 0 H TRP A 32 -8.063 1.903 6.749 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.067 4.810 6.661 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.754 2.775 5.808 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.542 3.335 7.270 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.964 5.535 7.017 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.246 7.318 5.161 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.227 3.984 3.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.976 7.941 2.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.780 5.220 1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.147 7.171 1.276 1.00 0.00 H new ATOM 508 N ALA A 33 -8.173 3.144 9.377 1.00 0.00 N ATOM 509 CA ALA A 33 -8.300 3.144 10.815 1.00 0.00 C ATOM 510 C ALA A 33 -7.187 3.935 11.491 1.00 0.00 C ATOM 511 O ALA A 33 -7.352 4.380 12.631 1.00 0.00 O ATOM 512 CB ALA A 33 -8.349 1.719 11.352 1.00 0.00 C ATOM 0 H ALA A 33 -7.693 2.325 9.004 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.240 3.641 11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.445 1.742 12.438 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.205 1.198 10.923 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.432 1.196 11.080 1.00 0.00 H new ATOM 518 N PHE A 34 -6.053 4.106 10.823 1.00 0.00 N ATOM 519 CA PHE A 34 -4.995 4.887 11.407 1.00 0.00 C ATOM 520 C PHE A 34 -5.287 6.355 11.129 1.00 0.00 C ATOM 521 O PHE A 34 -6.009 6.654 10.173 1.00 0.00 O ATOM 522 CB PHE A 34 -3.576 4.462 10.882 1.00 0.00 C ATOM 523 CG PHE A 34 -3.182 4.887 9.474 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.829 6.210 9.194 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.142 3.968 8.449 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.462 6.590 7.923 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.771 4.351 7.168 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.434 5.663 6.909 1.00 0.00 C ATOM 0 H PHE A 34 -5.854 3.721 9.900 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.967 4.711 12.482 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.831 4.859 11.572 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.512 3.375 10.934 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.844 6.944 9.986 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.402 2.938 8.644 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.196 7.617 7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.746 3.621 6.373 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.149 5.961 5.911 1.00 0.00 H new ATOM 672 N THR A 43 -7.422 11.204 0.395 1.00 0.00 N ATOM 673 CA THR A 43 -7.510 9.919 -0.290 1.00 0.00 C ATOM 674 C THR A 43 -8.958 9.514 -0.593 1.00 0.00 C ATOM 675 O THR A 43 -9.733 9.198 0.318 1.00 0.00 O ATOM 676 CB THR A 43 -6.830 8.825 0.554 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.551 9.311 0.990 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.618 7.556 -0.268 1.00 0.00 C ATOM 0 HA THR A 43 -6.995 10.028 -1.245 1.00 0.00 H new ATOM 0 HB THR A 43 -7.469 8.588 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.580 10.288 1.063 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.136 6.798 0.350 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.581 7.182 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.985 7.780 -1.126 1.00 0.00 H new ATOM 686 N PRO A 44 -9.360 9.610 -1.873 1.00 0.00 N ATOM 687 CA PRO A 44 -10.701 9.235 -2.316 1.00 0.00 C ATOM 688 C PRO A 44 -10.998 7.741 -2.144 1.00 0.00 C ATOM 689 O PRO A 44 -10.510 6.902 -2.916 1.00 0.00 O ATOM 690 CB PRO A 44 -10.699 9.603 -3.808 1.00 0.00 C ATOM 691 CG PRO A 44 -9.252 9.601 -4.177 1.00 0.00 C ATOM 692 CD PRO A 44 -8.564 10.179 -3.001 1.00 0.00 C ATOM 0 HA PRO A 44 -11.468 9.741 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.263 8.881 -4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.154 10.579 -3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.898 8.592 -4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -9.071 10.195 -5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.516 9.882 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.586 11.269 -3.009 1.00 0.00 H new ATOM 700 N TRP A 45 -11.791 7.405 -1.136 1.00 0.00 N ATOM 701 CA TRP A 45 -12.206 6.022 -0.914 1.00 0.00 C ATOM 702 C TRP A 45 -13.033 5.535 -2.112 1.00 0.00 C ATOM 703 O TRP A 45 -12.977 4.375 -2.478 1.00 0.00 O ATOM 704 CB TRP A 45 -13.009 5.878 0.410 1.00 0.00 C ATOM 705 CG TRP A 45 -13.518 4.470 0.672 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.613 3.895 0.116 1.00 0.00 C ATOM 707 CD2 TRP A 45 -12.959 3.474 1.546 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.756 2.614 0.549 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.770 2.327 1.435 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.863 3.431 2.396 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.516 1.160 2.139 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.611 2.269 3.101 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.435 1.148 2.966 1.00 0.00 C ATOM 0 H TRP A 45 -12.161 8.070 -0.457 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.315 5.401 -0.820 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.376 6.186 1.242 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.858 6.562 0.385 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.280 4.387 -0.576 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.490 1.970 0.254 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.218 4.290 2.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.152 0.293 2.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.763 2.227 3.768 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.209 0.254 3.529 1.00 0.00 H new ATOM 724 N SER A 46 -13.742 6.442 -2.747 1.00 0.00 N ATOM 725 CA SER A 46 -14.549 6.112 -3.907 1.00 0.00 C ATOM 726 C SER A 46 -13.669 5.557 -5.048 1.00 0.00 C ATOM 727 O SER A 46 -14.117 4.744 -5.856 1.00 0.00 O ATOM 728 CB SER A 46 -15.311 7.343 -4.346 1.00 0.00 C ATOM 729 OG SER A 46 -16.037 7.899 -3.250 1.00 0.00 O ATOM 0 H SER A 46 -13.777 7.425 -2.478 1.00 0.00 H new ATOM 0 HA SER A 46 -15.262 5.331 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.618 8.084 -4.744 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.998 7.084 -5.151 1.00 0.00 H new ATOM 0 HG SER A 46 -16.523 8.695 -3.550 1.00 0.00 H new ATOM 735 N GLU A 47 -12.413 5.973 -5.076 1.00 0.00 N ATOM 736 CA GLU A 47 -11.461 5.454 -6.028 1.00 0.00 C ATOM 737 C GLU A 47 -10.942 4.116 -5.540 1.00 0.00 C ATOM 738 O GLU A 47 -10.869 3.155 -6.305 1.00 0.00 O ATOM 739 CB GLU A 47 -10.288 6.415 -6.202 1.00 0.00 C ATOM 740 CG GLU A 47 -10.627 7.707 -6.910 1.00 0.00 C ATOM 741 CD GLU A 47 -11.011 7.491 -8.346 1.00 0.00 C ATOM 742 OE1 GLU A 47 -10.148 7.066 -9.145 1.00 0.00 O ATOM 743 OE2 GLU A 47 -12.164 7.745 -8.709 1.00 0.00 O ATOM 0 H GLU A 47 -12.033 6.675 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.961 5.336 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.881 6.652 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.500 5.908 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.447 8.200 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.770 8.379 -6.863 1.00 0.00 H new ATOM 750 N VAL A 48 -10.634 4.050 -4.237 1.00 0.00 N ATOM 751 CA VAL A 48 -10.050 2.853 -3.635 1.00 0.00 C ATOM 752 C VAL A 48 -11.039 1.680 -3.683 1.00 0.00 C ATOM 753 O VAL A 48 -10.635 0.530 -3.745 1.00 0.00 O ATOM 754 CB VAL A 48 -9.545 3.073 -2.151 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.790 4.365 -1.972 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.623 2.892 -1.095 1.00 0.00 C ATOM 0 H VAL A 48 -10.782 4.817 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.171 2.618 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.833 2.264 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.470 4.459 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.916 4.369 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.437 5.203 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.196 3.060 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.427 3.607 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.021 1.879 -1.151 1.00 0.00 H new ATOM 766 N GLU A 49 -12.335 1.997 -3.660 1.00 0.00 N ATOM 767 CA GLU A 49 -13.400 1.025 -3.731 1.00 0.00 C ATOM 768 C GLU A 49 -13.301 0.167 -4.968 1.00 0.00 C ATOM 769 O GLU A 49 -13.244 -1.056 -4.876 1.00 0.00 O ATOM 770 CB GLU A 49 -14.754 1.723 -3.704 1.00 0.00 C ATOM 771 CG GLU A 49 -15.442 1.701 -2.383 1.00 0.00 C ATOM 772 CD GLU A 49 -16.820 2.325 -2.432 1.00 0.00 C ATOM 773 OE1 GLU A 49 -16.943 3.565 -2.355 1.00 0.00 O ATOM 774 OE2 GLU A 49 -17.807 1.583 -2.541 1.00 0.00 O ATOM 0 H GLU A 49 -12.668 2.958 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.301 0.375 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.618 2.760 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.403 1.255 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.526 0.670 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.833 2.232 -1.652 1.00 0.00 H new ATOM 781 N GLU A 50 -13.210 0.803 -6.108 1.00 0.00 N ATOM 782 CA GLU A 50 -13.235 0.087 -7.365 1.00 0.00 C ATOM 783 C GLU A 50 -11.828 -0.290 -7.825 1.00 0.00 C ATOM 784 O GLU A 50 -11.634 -0.839 -8.905 1.00 0.00 O ATOM 785 CB GLU A 50 -13.936 0.916 -8.424 1.00 0.00 C ATOM 786 CG GLU A 50 -15.360 1.300 -8.060 1.00 0.00 C ATOM 787 CD GLU A 50 -16.060 2.033 -9.168 1.00 0.00 C ATOM 788 OE1 GLU A 50 -15.831 3.236 -9.349 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.855 1.414 -9.897 1.00 0.00 O ATOM 0 H GLU A 50 -13.118 1.815 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.790 -0.839 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.359 1.824 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.948 0.357 -9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.923 0.400 -7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.347 1.925 -7.167 1.00 0.00 H new ATOM 796 N ALA A 51 -10.868 0.010 -7.003 1.00 0.00 N ATOM 797 CA ALA A 51 -9.488 -0.277 -7.289 1.00 0.00 C ATOM 798 C ALA A 51 -9.054 -1.538 -6.616 1.00 0.00 C ATOM 799 O ALA A 51 -9.337 -1.766 -5.424 1.00 0.00 O ATOM 800 CB ALA A 51 -8.622 0.855 -6.832 1.00 0.00 C ATOM 0 H ALA A 51 -11.019 0.466 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.386 -0.403 -8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.579 0.628 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.912 1.768 -7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.743 0.995 -5.758 1.00 0.00 H new ATOM 806 N ASP A 52 -8.372 -2.345 -7.360 1.00 0.00 N ATOM 807 CA ASP A 52 -7.844 -3.572 -6.863 1.00 0.00 C ATOM 808 C ASP A 52 -6.372 -3.608 -7.132 1.00 0.00 C ATOM 809 O ASP A 52 -5.913 -2.987 -8.101 1.00 0.00 O ATOM 810 CB ASP A 52 -8.519 -4.795 -7.510 1.00 0.00 C ATOM 811 CG ASP A 52 -8.249 -4.944 -9.010 1.00 0.00 C ATOM 812 OD1 ASP A 52 -7.236 -5.580 -9.397 1.00 0.00 O ATOM 813 OD2 ASP A 52 -9.063 -4.454 -9.825 1.00 0.00 O ATOM 0 H ASP A 52 -8.163 -2.168 -8.343 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.041 -3.620 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.178 -5.696 -7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.595 -4.728 -7.351 1.00 0.00 H new ATOM 818 N GLY A 53 -5.647 -4.258 -6.225 1.00 0.00 N ATOM 819 CA GLY A 53 -4.219 -4.507 -6.351 1.00 0.00 C ATOM 820 C GLY A 53 -3.394 -3.313 -6.806 1.00 0.00 C ATOM 821 O GLY A 53 -3.201 -2.344 -6.056 1.00 0.00 O ATOM 0 H GLY A 53 -6.047 -4.633 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.839 -4.846 -5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.069 -5.323 -7.058 1.00 0.00 H new ATOM 825 N LYS A 54 -2.978 -3.372 -8.061 1.00 0.00 N ATOM 826 CA LYS A 54 -2.126 -2.375 -8.700 1.00 0.00 C ATOM 827 C LYS A 54 -2.768 -1.012 -8.660 1.00 0.00 C ATOM 828 O LYS A 54 -2.094 0.007 -8.473 1.00 0.00 O ATOM 829 CB LYS A 54 -1.886 -2.771 -10.154 1.00 0.00 C ATOM 830 CG LYS A 54 -0.830 -1.942 -10.882 1.00 0.00 C ATOM 831 CD LYS A 54 -1.379 -1.201 -12.081 1.00 0.00 C ATOM 832 CE LYS A 54 -1.635 0.252 -11.762 1.00 0.00 C ATOM 833 NZ LYS A 54 -0.374 1.019 -11.597 1.00 0.00 N ATOM 0 H LYS A 54 -3.231 -4.138 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.181 -2.332 -8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.589 -3.819 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.828 -2.691 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.397 -1.224 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.022 -2.598 -11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.675 -1.274 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.306 -1.672 -12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.229 0.699 -12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.224 0.324 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.596 2.024 -11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.150 0.653 -10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.208 0.918 -12.453 1.00 0.00 H new ATOM 847 N LYS A 55 -4.068 -0.980 -8.819 1.00 0.00 N ATOM 848 CA LYS A 55 -4.751 0.267 -8.815 1.00 0.00 C ATOM 849 C LYS A 55 -4.764 0.910 -7.463 1.00 0.00 C ATOM 850 O LYS A 55 -4.643 2.122 -7.362 1.00 0.00 O ATOM 851 CB LYS A 55 -6.154 0.192 -9.368 1.00 0.00 C ATOM 852 CG LYS A 55 -6.256 0.336 -10.867 1.00 0.00 C ATOM 853 CD LYS A 55 -5.611 1.647 -11.370 1.00 0.00 C ATOM 854 CE LYS A 55 -6.191 2.917 -10.708 1.00 0.00 C ATOM 855 NZ LYS A 55 -7.539 3.260 -11.192 1.00 0.00 N ATOM 0 H LYS A 55 -4.660 -1.800 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.172 0.896 -9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.592 -0.763 -9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.755 0.972 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.770 -0.514 -11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.305 0.312 -11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.538 1.609 -11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.745 1.717 -12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.226 2.772 -9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.520 3.755 -10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.872 4.120 -10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.507 3.428 -12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.191 2.475 -10.989 1.00 0.00 H new ATOM 869 N LEU A 56 -4.878 0.104 -6.430 1.00 0.00 N ATOM 870 CA LEU A 56 -4.897 0.627 -5.092 1.00 0.00 C ATOM 871 C LEU A 56 -3.550 1.274 -4.789 1.00 0.00 C ATOM 872 O LEU A 56 -3.491 2.360 -4.232 1.00 0.00 O ATOM 873 CB LEU A 56 -5.223 -0.459 -4.066 1.00 0.00 C ATOM 874 CG LEU A 56 -5.398 0.035 -2.624 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.577 0.987 -2.509 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.561 -1.122 -1.676 1.00 0.00 C ATOM 0 H LEU A 56 -4.958 -0.911 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.685 1.376 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.139 -0.964 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.427 -1.204 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.495 0.580 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.676 1.320 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.412 1.850 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.489 0.475 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.683 -0.746 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.441 -1.701 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.677 -1.758 -1.723 1.00 0.00 H new ATOM 888 N ALA A 57 -2.476 0.620 -5.241 1.00 0.00 N ATOM 889 CA ALA A 57 -1.100 1.122 -5.085 1.00 0.00 C ATOM 890 C ALA A 57 -0.959 2.502 -5.721 1.00 0.00 C ATOM 891 O ALA A 57 -0.307 3.403 -5.179 1.00 0.00 O ATOM 892 CB ALA A 57 -0.123 0.167 -5.760 1.00 0.00 C ATOM 0 H ALA A 57 -2.532 -0.275 -5.727 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.879 1.192 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.893 0.543 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.201 -0.818 -5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.361 0.093 -6.821 1.00 0.00 H new ATOM 898 N GLU A 58 -1.629 2.665 -6.836 1.00 0.00 N ATOM 899 CA GLU A 58 -1.581 3.873 -7.617 1.00 0.00 C ATOM 900 C GLU A 58 -2.357 5.006 -6.920 1.00 0.00 C ATOM 901 O GLU A 58 -2.094 6.193 -7.140 1.00 0.00 O ATOM 902 CB GLU A 58 -2.125 3.563 -9.004 1.00 0.00 C ATOM 903 CG GLU A 58 -1.993 4.668 -10.014 1.00 0.00 C ATOM 904 CD GLU A 58 -2.291 4.167 -11.389 1.00 0.00 C ATOM 905 OE1 GLU A 58 -1.438 3.463 -11.952 1.00 0.00 O ATOM 906 OE2 GLU A 58 -3.364 4.461 -11.940 1.00 0.00 O ATOM 0 H GLU A 58 -2.234 1.946 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.554 4.226 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.612 2.681 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.180 3.303 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.675 5.480 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.983 5.078 -9.982 1.00 0.00 H new ATOM 913 N ILE A 59 -3.296 4.632 -6.079 1.00 0.00 N ATOM 914 CA ILE A 59 -4.043 5.588 -5.294 1.00 0.00 C ATOM 915 C ILE A 59 -3.266 5.918 -4.020 1.00 0.00 C ATOM 916 O ILE A 59 -3.287 7.054 -3.552 1.00 0.00 O ATOM 917 CB ILE A 59 -5.445 5.047 -4.970 1.00 0.00 C ATOM 918 CG1 ILE A 59 -6.158 4.761 -6.278 1.00 0.00 C ATOM 919 CG2 ILE A 59 -6.244 6.072 -4.156 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.297 3.825 -6.149 1.00 0.00 C ATOM 0 H ILE A 59 -3.562 3.660 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.173 6.504 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.358 4.137 -4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.518 5.701 -6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.441 4.350 -6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.233 5.671 -3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.722 6.282 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.345 6.993 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.754 3.672 -7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.941 2.871 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.035 4.243 -5.465 1.00 0.00 H new ATOM 932 N LEU A 60 -2.550 4.924 -3.483 1.00 0.00 N ATOM 933 CA LEU A 60 -1.665 5.151 -2.338 1.00 0.00 C ATOM 934 C LEU A 60 -0.641 6.225 -2.671 1.00 0.00 C ATOM 935 O LEU A 60 -0.492 7.184 -1.937 1.00 0.00 O ATOM 936 CB LEU A 60 -0.940 3.861 -1.865 1.00 0.00 C ATOM 937 CG LEU A 60 -1.602 3.000 -0.755 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.790 3.793 0.526 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.912 2.383 -1.201 1.00 0.00 C ATOM 0 H LEU A 60 -2.566 3.962 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.299 5.481 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.797 3.223 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.051 4.148 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.913 2.180 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.256 3.160 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.820 4.135 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.429 4.654 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.332 1.792 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.612 3.173 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.736 1.740 -2.063 1.00 0.00 H new ATOM 951 N VAL A 61 0.008 6.098 -3.827 1.00 0.00 N ATOM 952 CA VAL A 61 1.028 7.079 -4.248 1.00 0.00 C ATOM 953 C VAL A 61 0.404 8.420 -4.667 1.00 0.00 C ATOM 954 O VAL A 61 1.118 9.375 -4.956 1.00 0.00 O ATOM 955 CB VAL A 61 1.938 6.555 -5.410 1.00 0.00 C ATOM 956 CG1 VAL A 61 2.663 5.278 -5.021 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.148 6.355 -6.696 1.00 0.00 C ATOM 0 H VAL A 61 -0.146 5.337 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 61 1.651 7.232 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 61 2.689 7.323 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.284 4.945 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.292 5.467 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.934 4.504 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.813 5.991 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.355 5.627 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.709 7.304 -7.005 1.00 0.00 H new ATOM 967 N ASN A 62 -0.918 8.489 -4.676 1.00 0.00 N ATOM 968 CA ASN A 62 -1.611 9.693 -5.100 1.00 0.00 C ATOM 969 C ASN A 62 -1.704 10.686 -3.930 1.00 0.00 C ATOM 970 O ASN A 62 -1.741 11.902 -4.129 1.00 0.00 O ATOM 971 CB ASN A 62 -3.014 9.345 -5.653 1.00 0.00 C ATOM 972 CG ASN A 62 -3.711 10.505 -6.344 1.00 0.00 C ATOM 973 OD1 ASN A 62 -3.073 11.379 -6.924 1.00 0.00 O ATOM 974 ND2 ASN A 62 -5.017 10.502 -6.318 1.00 0.00 N ATOM 0 H ASN A 62 -1.532 7.725 -4.394 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.045 10.164 -5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.921 8.519 -6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.640 8.995 -4.832 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.538 11.241 -6.789 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.516 9.760 -5.827 1.00 0.00 H new ATOM 981 N THR A 63 -1.742 10.168 -2.715 1.00 0.00 N ATOM 982 CA THR A 63 -1.794 11.008 -1.522 1.00 0.00 C ATOM 983 C THR A 63 -0.596 10.761 -0.608 1.00 0.00 C ATOM 984 O THR A 63 -0.057 11.686 0.005 1.00 0.00 O ATOM 985 CB THR A 63 -3.093 10.757 -0.735 1.00 0.00 C ATOM 986 OG1 THR A 63 -3.285 9.342 -0.554 1.00 0.00 O ATOM 987 CG2 THR A 63 -4.292 11.343 -1.457 1.00 0.00 C ATOM 0 H THR A 63 -1.738 9.166 -2.524 1.00 0.00 H new ATOM 0 HA THR A 63 -1.767 12.044 -1.859 1.00 0.00 H new ATOM 0 HB THR A 63 -3.003 11.246 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.132 9.184 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.195 11.150 -0.878 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.157 12.418 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.386 10.882 -2.440 1.00 0.00 H new ATOM 995 N SER A 64 -0.172 9.533 -0.525 1.00 0.00 N ATOM 996 CA SER A 64 0.895 9.185 0.348 1.00 0.00 C ATOM 997 C SER A 64 2.221 9.312 -0.378 1.00 0.00 C ATOM 998 O SER A 64 2.325 8.976 -1.570 1.00 0.00 O ATOM 999 CB SER A 64 0.694 7.754 0.849 1.00 0.00 C ATOM 1000 OG SER A 64 -0.612 7.576 1.373 1.00 0.00 O ATOM 0 H SER A 64 -0.557 8.754 -1.059 1.00 0.00 H new ATOM 0 HA SER A 64 0.904 9.863 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.860 7.052 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.432 7.528 1.618 1.00 0.00 H new ATOM 0 HG SER A 64 -0.716 6.653 1.685 1.00 0.00 H new ATOM 1006 N SER A 65 3.198 9.861 0.308 1.00 0.00 N ATOM 1007 CA SER A 65 4.534 9.930 -0.197 1.00 0.00 C ATOM 1008 C SER A 65 5.023 8.512 -0.409 1.00 0.00 C ATOM 1009 O SER A 65 4.899 7.680 0.486 1.00 0.00 O ATOM 1010 CB SER A 65 5.435 10.654 0.813 1.00 0.00 C ATOM 1011 OG SER A 65 6.789 10.712 0.373 1.00 0.00 O ATOM 0 H SER A 65 3.079 10.271 1.234 1.00 0.00 H new ATOM 0 HA SER A 65 4.560 10.483 -1.136 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.062 11.666 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.387 10.142 1.774 1.00 0.00 H new ATOM 0 HG SER A 65 7.330 11.181 1.042 1.00 0.00 H new ATOM 1017 N GLU A 66 5.546 8.247 -1.586 1.00 0.00 N ATOM 1018 CA GLU A 66 6.055 6.934 -1.985 1.00 0.00 C ATOM 1019 C GLU A 66 7.038 6.368 -0.938 1.00 0.00 C ATOM 1020 O GLU A 66 7.019 5.184 -0.624 1.00 0.00 O ATOM 1021 CB GLU A 66 6.712 7.074 -3.366 1.00 0.00 C ATOM 1022 CG GLU A 66 7.910 8.007 -3.378 1.00 0.00 C ATOM 1023 CD GLU A 66 8.411 8.328 -4.751 1.00 0.00 C ATOM 1024 OE1 GLU A 66 9.201 7.557 -5.307 1.00 0.00 O ATOM 1025 OE2 GLU A 66 8.048 9.401 -5.285 1.00 0.00 O ATOM 0 H GLU A 66 5.636 8.951 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 66 5.233 6.221 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.026 6.089 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.970 7.439 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.641 8.935 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.718 7.554 -2.803 1.00 0.00 H new ATOM 1032 N ASN A 67 7.806 7.260 -0.347 1.00 0.00 N ATOM 1033 CA ASN A 67 8.801 6.922 0.658 1.00 0.00 C ATOM 1034 C ASN A 67 8.117 6.554 1.982 1.00 0.00 C ATOM 1035 O ASN A 67 8.570 5.692 2.722 1.00 0.00 O ATOM 1036 CB ASN A 67 9.699 8.133 0.872 1.00 0.00 C ATOM 1037 CG ASN A 67 10.783 7.909 1.893 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.320 6.815 2.022 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.082 8.932 2.646 1.00 0.00 N ATOM 0 H ASN A 67 7.758 8.258 -0.553 1.00 0.00 H new ATOM 0 HA ASN A 67 9.387 6.067 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.158 8.407 -0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.086 8.978 1.185 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.788 8.839 3.377 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.610 9.825 2.504 1.00 0.00 H new ATOM 1046 N TRP A 68 6.996 7.180 2.243 1.00 0.00 N ATOM 1047 CA TRP A 68 6.262 6.963 3.473 1.00 0.00 C ATOM 1048 C TRP A 68 5.453 5.660 3.385 1.00 0.00 C ATOM 1049 O TRP A 68 5.241 4.959 4.388 1.00 0.00 O ATOM 1050 CB TRP A 68 5.341 8.166 3.742 1.00 0.00 C ATOM 1051 CG TRP A 68 4.585 8.087 5.029 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.012 8.497 6.256 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.267 7.564 5.219 1.00 0.00 C ATOM 1054 NE1 TRP A 68 4.047 8.250 7.193 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.966 7.680 6.583 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.317 7.004 4.365 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.755 7.259 7.115 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.117 6.590 4.895 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.848 6.719 6.259 1.00 0.00 C ATOM 0 H TRP A 68 6.564 7.855 1.612 1.00 0.00 H new ATOM 0 HA TRP A 68 6.963 6.868 4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.942 9.075 3.742 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.629 8.254 2.921 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.971 8.950 6.459 1.00 0.00 H new ATOM 0 HE1 TRP A 68 4.122 8.458 8.189 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.519 6.898 3.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.542 7.357 8.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.370 6.158 4.245 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.103 6.382 6.643 1.00 0.00 H new ATOM 1070 N ILE A 69 5.055 5.305 2.171 1.00 0.00 N ATOM 1071 CA ILE A 69 4.241 4.117 1.944 1.00 0.00 C ATOM 1072 C ILE A 69 5.007 2.842 2.330 1.00 0.00 C ATOM 1073 O ILE A 69 4.389 1.820 2.681 1.00 0.00 O ATOM 1074 CB ILE A 69 3.746 4.012 0.472 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.046 5.292 0.065 1.00 0.00 C ATOM 1076 CG2 ILE A 69 2.755 2.850 0.334 1.00 0.00 C ATOM 1077 CD1 ILE A 69 2.651 5.328 -1.386 1.00 0.00 C ATOM 0 H ILE A 69 5.284 5.825 1.324 1.00 0.00 H new ATOM 0 HA ILE A 69 3.364 4.215 2.584 1.00 0.00 H new ATOM 0 HB ILE A 69 4.610 3.843 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.154 5.419 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.701 6.137 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.414 2.784 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.246 1.918 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.900 3.021 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.155 6.274 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.541 5.233 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.970 4.504 -1.598 1.00 0.00 H new ATOM 1089 N ARG A 70 6.351 2.924 2.339 1.00 0.00 N ATOM 1090 CA ARG A 70 7.188 1.765 2.658 1.00 0.00 C ATOM 1091 C ARG A 70 6.953 1.319 4.110 1.00 0.00 C ATOM 1092 O ARG A 70 7.204 0.188 4.463 1.00 0.00 O ATOM 1093 CB ARG A 70 8.697 2.029 2.389 1.00 0.00 C ATOM 1094 CG ARG A 70 9.433 2.773 3.493 1.00 0.00 C ATOM 1095 CD ARG A 70 10.887 3.034 3.135 1.00 0.00 C ATOM 1096 NE ARG A 70 11.688 3.421 4.320 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.761 4.228 4.304 1.00 0.00 C ATOM 1098 NH1 ARG A 70 12.979 5.030 3.278 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.560 4.294 5.368 1.00 0.00 N ATOM 0 H ARG A 70 6.872 3.776 2.130 1.00 0.00 H new ATOM 0 HA ARG A 70 6.892 0.956 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.193 1.072 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.790 2.599 1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.932 3.721 3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.385 2.193 4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.316 2.139 2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.940 3.825 2.387 1.00 0.00 H new ATOM 0 HE ARG A 70 11.400 3.043 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.330 5.039 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.796 5.640 3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.356 3.732 6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.375 4.907 5.356 1.00 0.00 H new ATOM 1113 N ASN A 71 6.475 2.230 4.944 1.00 0.00 N ATOM 1114 CA ASN A 71 6.117 1.883 6.310 1.00 0.00 C ATOM 1115 C ASN A 71 4.634 1.559 6.384 1.00 0.00 C ATOM 1116 O ASN A 71 4.219 0.611 7.066 1.00 0.00 O ATOM 1117 CB ASN A 71 6.462 3.024 7.286 1.00 0.00 C ATOM 1118 CG ASN A 71 6.057 2.726 8.725 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.801 2.087 9.465 1.00 0.00 O ATOM 1120 ND2 ASN A 71 4.928 3.237 9.152 1.00 0.00 N ATOM 0 H ASN A 71 6.327 3.209 4.701 1.00 0.00 H new ATOM 0 HA ASN A 71 6.695 1.007 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.535 3.213 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.966 3.937 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.645 3.109 10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.332 3.763 8.513 1.00 0.00 H new ATOM 1127 N ALA A 72 3.855 2.328 5.630 1.00 0.00 N ATOM 1128 CA ALA A 72 2.397 2.232 5.612 1.00 0.00 C ATOM 1129 C ALA A 72 1.888 0.836 5.268 1.00 0.00 C ATOM 1130 O ALA A 72 1.241 0.188 6.099 1.00 0.00 O ATOM 1131 CB ALA A 72 1.817 3.239 4.642 1.00 0.00 C ATOM 0 H ALA A 72 4.222 3.046 5.005 1.00 0.00 H new ATOM 0 HA ALA A 72 2.063 2.451 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.730 3.157 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.104 4.245 4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.199 3.041 3.640 1.00 0.00 H new ATOM 1137 N THR A 73 2.207 0.357 4.066 1.00 0.00 N ATOM 1138 CA THR A 73 1.681 -0.919 3.601 1.00 0.00 C ATOM 1139 C THR A 73 2.191 -2.071 4.466 1.00 0.00 C ATOM 1140 O THR A 73 1.450 -3.014 4.749 1.00 0.00 O ATOM 1141 CB THR A 73 1.983 -1.181 2.082 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.320 -2.368 1.637 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.481 -1.322 1.817 1.00 0.00 C ATOM 0 H THR A 73 2.822 0.831 3.404 1.00 0.00 H new ATOM 0 HA THR A 73 0.597 -0.865 3.701 1.00 0.00 H new ATOM 0 HB THR A 73 1.612 -0.317 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.416 -2.398 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.647 -1.502 0.755 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.991 -0.405 2.114 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.875 -2.159 2.393 1.00 0.00 H new ATOM 1151 N VAL A 74 3.426 -1.950 4.922 1.00 0.00 N ATOM 1152 CA VAL A 74 4.053 -2.951 5.748 1.00 0.00 C ATOM 1153 C VAL A 74 3.297 -3.117 7.057 1.00 0.00 C ATOM 1154 O VAL A 74 2.953 -4.233 7.436 1.00 0.00 O ATOM 1155 CB VAL A 74 5.550 -2.604 5.991 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.166 -3.493 7.049 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.322 -2.757 4.692 1.00 0.00 C ATOM 0 H VAL A 74 4.021 -1.146 4.724 1.00 0.00 H new ATOM 0 HA VAL A 74 4.017 -3.906 5.224 1.00 0.00 H new ATOM 0 HB VAL A 74 5.603 -1.574 6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.212 -3.220 7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.628 -3.367 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.103 -4.534 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.371 -2.514 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.240 -3.785 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.910 -2.082 3.942 1.00 0.00 H new ATOM 1167 N ASN A 75 2.968 -2.000 7.693 1.00 0.00 N ATOM 1168 CA ASN A 75 2.258 -2.014 8.977 1.00 0.00 C ATOM 1169 C ASN A 75 0.893 -2.681 8.806 1.00 0.00 C ATOM 1170 O ASN A 75 0.502 -3.470 9.640 1.00 0.00 O ATOM 1171 CB ASN A 75 2.089 -0.573 9.514 1.00 0.00 C ATOM 1172 CG ASN A 75 1.662 -0.446 11.001 1.00 0.00 C ATOM 1173 OD1 ASN A 75 1.990 0.544 11.650 1.00 0.00 O ATOM 1174 ND2 ASN A 75 0.972 -1.417 11.551 1.00 0.00 N ATOM 0 H ASN A 75 3.180 -1.066 7.343 1.00 0.00 H new ATOM 0 HA ASN A 75 2.843 -2.584 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.033 -0.044 9.381 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.348 -0.062 8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.700 -1.357 12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.708 -2.232 10.997 1.00 0.00 H new ATOM 1181 N ILE A 76 0.196 -2.387 7.706 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.139 -2.974 7.458 1.00 0.00 C ATOM 1183 C ILE A 76 -1.016 -4.491 7.261 1.00 0.00 C ATOM 1184 O ILE A 76 -1.816 -5.261 7.787 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.847 -2.350 6.223 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.860 -0.811 6.299 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.279 -2.878 6.109 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.579 -0.230 7.498 1.00 0.00 C ATOM 0 H ILE A 76 0.522 -1.754 6.976 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.750 -2.754 8.333 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.284 -2.641 5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.830 -0.455 6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.325 -0.423 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.763 -2.433 5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.259 -3.962 5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.836 -2.616 7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.531 0.858 7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.621 -0.548 7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.103 -0.581 8.413 1.00 0.00 H new ATOM 1200 N LEU A 77 0.005 -4.907 6.522 1.00 0.00 N ATOM 1201 CA LEU A 77 0.302 -6.332 6.337 1.00 0.00 C ATOM 1202 C LEU A 77 0.547 -7.000 7.691 1.00 0.00 C ATOM 1203 O LEU A 77 0.028 -8.084 7.967 1.00 0.00 O ATOM 1204 CB LEU A 77 1.518 -6.500 5.426 1.00 0.00 C ATOM 1205 CG LEU A 77 1.273 -6.351 3.923 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.462 -5.693 3.246 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.075 -7.713 3.314 1.00 0.00 C ATOM 0 H LEU A 77 0.646 -4.279 6.037 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.554 -6.814 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.270 -5.769 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.945 -7.487 5.606 1.00 0.00 H new ATOM 0 HG LEU A 77 0.388 -5.731 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.266 -5.597 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.624 -4.704 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.351 -6.304 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.900 -7.611 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.966 -8.319 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.215 -8.197 3.777 1.00 0.00 H new ATOM 1219 N GLU A 78 1.291 -6.311 8.539 1.00 0.00 N ATOM 1220 CA GLU A 78 1.595 -6.764 9.892 1.00 0.00 C ATOM 1221 C GLU A 78 0.308 -6.875 10.738 1.00 0.00 C ATOM 1222 O GLU A 78 0.149 -7.820 11.523 1.00 0.00 O ATOM 1223 CB GLU A 78 2.630 -5.818 10.529 1.00 0.00 C ATOM 1224 CG GLU A 78 3.983 -5.853 9.824 1.00 0.00 C ATOM 1225 CD GLU A 78 5.006 -4.931 10.434 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.762 -3.705 10.508 1.00 0.00 O ATOM 1227 OE2 GLU A 78 6.084 -5.419 10.872 1.00 0.00 O ATOM 0 H GLU A 78 1.708 -5.409 8.307 1.00 0.00 H new ATOM 0 HA GLU A 78 2.028 -7.763 9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.243 -4.799 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.765 -6.088 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.367 -6.873 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.844 -5.586 8.776 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.619 -5.934 10.528 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.940 -5.930 11.192 1.00 0.00 C ATOM 1236 C GLU A 79 -2.748 -7.171 10.784 1.00 0.00 C ATOM 1237 O GLU A 79 -3.519 -7.724 11.569 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.743 -4.683 10.784 1.00 0.00 C ATOM 1239 CG GLU A 79 -2.131 -3.337 11.149 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.025 -3.097 12.630 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.985 -2.560 13.220 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -0.978 -3.399 13.217 1.00 0.00 O ATOM 0 H GLU A 79 -0.480 -5.149 9.892 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.770 -5.930 12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.892 -4.710 9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.730 -4.746 11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.137 -3.270 10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.731 -2.543 10.704 1.00 0.00 H new ATOM 1249 N MET A 80 -2.545 -7.606 9.549 1.00 0.00 N ATOM 1250 CA MET A 80 -3.279 -8.740 8.979 1.00 0.00 C ATOM 1251 C MET A 80 -2.569 -10.070 9.231 1.00 0.00 C ATOM 1252 O MET A 80 -3.033 -11.115 8.760 1.00 0.00 O ATOM 1253 CB MET A 80 -3.475 -8.557 7.463 1.00 0.00 C ATOM 1254 CG MET A 80 -4.313 -7.356 7.072 1.00 0.00 C ATOM 1255 SD MET A 80 -4.480 -7.138 5.281 1.00 0.00 S ATOM 1256 CE MET A 80 -5.347 -8.640 4.821 1.00 0.00 C ATOM 0 H MET A 80 -1.869 -7.187 8.910 1.00 0.00 H new ATOM 0 HA MET A 80 -4.248 -8.766 9.478 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.496 -8.468 6.992 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.942 -9.455 7.060 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.305 -7.458 7.511 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.866 -6.458 7.499 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.598 -8.605 3.761 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.709 -9.502 5.015 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.262 -8.726 5.408 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.448 -10.025 9.965 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.618 -11.227 10.284 1.00 0.00 C ATOM 1268 C ASN A 81 0.037 -11.775 8.995 1.00 0.00 C ATOM 1269 O ASN A 81 0.491 -12.925 8.918 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.466 -12.322 11.005 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.649 -13.505 11.532 1.00 0.00 C ATOM 1272 OD1 ASN A 81 0.516 -13.364 11.897 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -1.251 -14.673 11.577 1.00 0.00 N ATOM 0 H ASN A 81 -1.079 -9.160 10.361 1.00 0.00 H new ATOM 0 HA ASN A 81 0.174 -10.931 10.971 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.998 -11.863 11.838 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.220 -12.696 10.312 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.750 -15.492 11.922 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.219 -14.760 11.267 1.00 0.00 H new ATOM 1280 N LEU A 82 0.125 -10.923 8.002 1.00 0.00 N ATOM 1281 CA LEU A 82 0.714 -11.269 6.738 1.00 0.00 C ATOM 1282 C LEU A 82 2.206 -11.102 6.817 1.00 0.00 C ATOM 1283 O LEU A 82 2.707 -10.017 6.648 1.00 0.00 O ATOM 1284 CB LEU A 82 0.140 -10.402 5.602 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.303 -10.688 5.182 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.802 -9.625 4.217 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.358 -12.017 4.496 1.00 0.00 C ATOM 0 H LEU A 82 -0.214 -9.962 8.053 1.00 0.00 H new ATOM 0 HA LEU A 82 0.475 -12.309 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.205 -9.357 5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.779 -10.521 4.727 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.932 -10.686 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.830 -9.847 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.763 -8.648 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.172 -9.616 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.384 -12.228 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.716 -11.999 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.014 -12.794 5.179 1.00 0.00 H new ATOM 1299 N THR A 83 2.889 -12.160 7.129 1.00 0.00 N ATOM 1300 CA THR A 83 4.329 -12.142 7.232 1.00 0.00 C ATOM 1301 C THR A 83 4.967 -12.307 5.877 1.00 0.00 C ATOM 1302 O THR A 83 5.583 -11.393 5.372 1.00 0.00 O ATOM 1303 CB THR A 83 4.791 -13.271 8.145 1.00 0.00 C ATOM 1304 OG1 THR A 83 3.947 -14.420 7.913 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.761 -12.864 9.599 1.00 0.00 C ATOM 0 H THR A 83 2.468 -13.069 7.322 1.00 0.00 H new ATOM 0 HA THR A 83 4.631 -11.180 7.646 1.00 0.00 H new ATOM 0 HB THR A 83 5.827 -13.517 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.232 -15.157 8.492 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.097 -13.697 10.217 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.420 -12.009 9.751 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.744 -12.592 9.880 1.00 0.00 H new ATOM 1313 N GLU A 84 4.741 -13.468 5.299 1.00 0.00 N ATOM 1314 CA GLU A 84 5.297 -13.930 4.019 1.00 0.00 C ATOM 1315 C GLU A 84 5.578 -12.809 2.975 1.00 0.00 C ATOM 1316 O GLU A 84 6.737 -12.519 2.679 1.00 0.00 O ATOM 1317 CB GLU A 84 4.384 -15.044 3.469 1.00 0.00 C ATOM 1318 CG GLU A 84 2.889 -14.691 3.501 1.00 0.00 C ATOM 1319 CD GLU A 84 1.992 -15.843 3.125 1.00 0.00 C ATOM 1320 OE1 GLU A 84 1.744 -16.055 1.929 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.496 -16.540 4.024 1.00 0.00 O ATOM 0 H GLU A 84 4.130 -14.164 5.725 1.00 0.00 H new ATOM 0 HA GLU A 84 6.294 -14.323 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.674 -15.265 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.546 -15.953 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.626 -14.347 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.705 -13.860 2.820 1.00 0.00 H new ATOM 1328 N LEU A 85 4.552 -12.153 2.478 1.00 0.00 N ATOM 1329 CA LEU A 85 4.758 -11.118 1.476 1.00 0.00 C ATOM 1330 C LEU A 85 5.206 -9.787 2.091 1.00 0.00 C ATOM 1331 O LEU A 85 5.841 -8.990 1.435 1.00 0.00 O ATOM 1332 CB LEU A 85 3.551 -10.930 0.518 1.00 0.00 C ATOM 1333 CG LEU A 85 2.229 -10.365 1.077 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.268 -10.107 -0.065 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.574 -11.307 2.076 1.00 0.00 C ATOM 0 H LEU A 85 3.580 -12.310 2.743 1.00 0.00 H new ATOM 0 HA LEU A 85 5.578 -11.482 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.873 -10.274 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.331 -11.900 0.073 1.00 0.00 H new ATOM 0 HG LEU A 85 2.465 -9.438 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.333 -9.708 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.708 -9.387 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.070 -11.040 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.647 -10.864 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.355 -12.258 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.250 -11.475 2.915 1.00 0.00 H new ATOM 1347 N CYS A 86 4.936 -9.583 3.365 1.00 0.00 N ATOM 1348 CA CYS A 86 5.342 -8.345 4.042 1.00 0.00 C ATOM 1349 C CYS A 86 6.850 -8.344 4.191 1.00 0.00 C ATOM 1350 O CYS A 86 7.503 -7.315 4.092 1.00 0.00 O ATOM 1351 CB CYS A 86 4.713 -8.258 5.411 1.00 0.00 C ATOM 1352 SG CYS A 86 5.054 -6.735 6.322 1.00 0.00 S ATOM 0 H CYS A 86 4.440 -10.248 3.959 1.00 0.00 H new ATOM 0 HA CYS A 86 5.014 -7.491 3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.633 -8.364 5.304 1.00 0.00 H new ATOM 0 HB3 CYS A 86 5.059 -9.103 6.006 1.00 0.00 H new ATOM 0 HG CYS A 86 5.048 -6.982 7.598 1.00 0.00 H new ATOM 1358 N LYS A 87 7.386 -9.524 4.385 1.00 0.00 N ATOM 1359 CA LYS A 87 8.807 -9.740 4.487 1.00 0.00 C ATOM 1360 C LYS A 87 9.476 -9.449 3.148 1.00 0.00 C ATOM 1361 O LYS A 87 10.657 -9.131 3.083 1.00 0.00 O ATOM 1362 CB LYS A 87 9.056 -11.166 4.936 1.00 0.00 C ATOM 1363 CG LYS A 87 8.496 -11.451 6.326 1.00 0.00 C ATOM 1364 CD LYS A 87 8.546 -12.924 6.678 1.00 0.00 C ATOM 1365 CE LYS A 87 9.946 -13.444 6.568 1.00 0.00 C ATOM 1366 NZ LYS A 87 10.085 -14.830 7.026 1.00 0.00 N ATOM 0 H LYS A 87 6.835 -10.377 4.478 1.00 0.00 H new ATOM 0 HA LYS A 87 9.239 -9.063 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.605 -11.852 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.128 -11.362 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.061 -10.884 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.464 -11.103 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.175 -13.074 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.890 -13.485 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.271 -13.377 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.610 -12.807 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.075 -15.131 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.804 -14.895 8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.475 -15.448 6.453 1.00 0.00 H new ATOM 1380 N MET A 88 8.692 -9.531 2.087 1.00 0.00 N ATOM 1381 CA MET A 88 9.162 -9.180 0.771 1.00 0.00 C ATOM 1382 C MET A 88 9.106 -7.685 0.615 1.00 0.00 C ATOM 1383 O MET A 88 9.975 -7.091 0.032 1.00 0.00 O ATOM 1384 CB MET A 88 8.347 -9.861 -0.329 1.00 0.00 C ATOM 1385 CG MET A 88 8.515 -11.367 -0.382 1.00 0.00 C ATOM 1386 SD MET A 88 10.229 -11.872 -0.675 1.00 0.00 S ATOM 1387 CE MET A 88 10.531 -11.155 -2.292 1.00 0.00 C ATOM 0 H MET A 88 7.721 -9.841 2.119 1.00 0.00 H new ATOM 0 HA MET A 88 10.189 -9.529 0.668 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.292 -9.629 -0.181 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.634 -9.440 -1.293 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.169 -11.800 0.557 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.882 -11.771 -1.172 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.378 -11.656 -2.760 1.00 0.00 H new ATOM 0 HE2 MET A 88 9.646 -11.280 -2.916 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.752 -10.093 -2.184 1.00 0.00 H new ATOM 1397 N ALA A 89 8.099 -7.069 1.198 1.00 0.00 N ATOM 1398 CA ALA A 89 7.963 -5.619 1.155 1.00 0.00 C ATOM 1399 C ALA A 89 9.108 -4.982 1.928 1.00 0.00 C ATOM 1400 O ALA A 89 9.739 -4.048 1.464 1.00 0.00 O ATOM 1401 CB ALA A 89 6.634 -5.180 1.739 1.00 0.00 C ATOM 0 H ALA A 89 7.358 -7.547 1.710 1.00 0.00 H new ATOM 0 HA ALA A 89 7.997 -5.295 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.558 -4.094 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.820 -5.624 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.567 -5.506 2.777 1.00 0.00 H new ATOM 1407 N LYS A 90 9.406 -5.550 3.084 1.00 0.00 N ATOM 1408 CA LYS A 90 10.518 -5.100 3.922 1.00 0.00 C ATOM 1409 C LYS A 90 11.855 -5.329 3.211 1.00 0.00 C ATOM 1410 O LYS A 90 12.868 -4.729 3.553 1.00 0.00 O ATOM 1411 CB LYS A 90 10.510 -5.842 5.268 1.00 0.00 C ATOM 1412 CG LYS A 90 9.297 -5.554 6.140 1.00 0.00 C ATOM 1413 CD LYS A 90 9.318 -6.383 7.421 1.00 0.00 C ATOM 1414 CE LYS A 90 8.148 -6.020 8.326 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.143 -6.765 9.603 1.00 0.00 N ATOM 0 H LYS A 90 8.887 -6.337 3.473 1.00 0.00 H new ATOM 0 HA LYS A 90 10.395 -4.032 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.559 -6.914 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.411 -5.575 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.273 -4.494 6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.387 -5.770 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.275 -7.443 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.256 -6.217 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.179 -4.951 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.215 -6.213 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.453 -6.336 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.882 -7.756 9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.090 -6.728 10.030 1.00 0.00 H new ATOM 1429 N ALA A 91 11.836 -6.177 2.215 1.00 0.00 N ATOM 1430 CA ALA A 91 13.015 -6.507 1.471 1.00 0.00 C ATOM 1431 C ALA A 91 13.168 -5.665 0.219 1.00 0.00 C ATOM 1432 O ALA A 91 14.258 -5.186 -0.088 1.00 0.00 O ATOM 1433 CB ALA A 91 13.018 -7.984 1.122 1.00 0.00 C ATOM 0 H ALA A 91 10.994 -6.659 1.899 1.00 0.00 H new ATOM 0 HA ALA A 91 13.871 -6.284 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.919 -8.222 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.998 -8.574 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.140 -8.217 0.520 1.00 0.00 H new ATOM 1439 N GLU A 92 12.080 -5.474 -0.462 1.00 0.00 N ATOM 1440 CA GLU A 92 12.070 -4.851 -1.766 1.00 0.00 C ATOM 1441 C GLU A 92 11.660 -3.387 -1.738 1.00 0.00 C ATOM 1442 O GLU A 92 12.197 -2.567 -2.490 1.00 0.00 O ATOM 1443 CB GLU A 92 11.092 -5.609 -2.643 1.00 0.00 C ATOM 1444 CG GLU A 92 11.385 -7.089 -2.745 1.00 0.00 C ATOM 1445 CD GLU A 92 10.679 -7.789 -3.879 1.00 0.00 C ATOM 1446 OE1 GLU A 92 9.456 -8.001 -3.804 1.00 0.00 O ATOM 1447 OE2 GLU A 92 11.367 -8.171 -4.862 1.00 0.00 O ATOM 0 H GLU A 92 11.156 -5.748 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 92 13.089 -4.887 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.085 -5.474 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.104 -5.176 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.460 -7.227 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.103 -7.568 -1.807 1.00 0.00 H new ATOM 1454 N MET A 93 10.730 -3.046 -0.878 1.00 0.00 N ATOM 1455 CA MET A 93 10.136 -1.720 -0.904 1.00 0.00 C ATOM 1456 C MET A 93 10.930 -0.731 -0.066 1.00 0.00 C ATOM 1457 O MET A 93 10.643 0.461 -0.057 1.00 0.00 O ATOM 1458 CB MET A 93 8.707 -1.760 -0.387 1.00 0.00 C ATOM 1459 CG MET A 93 7.889 -0.656 -0.951 1.00 0.00 C ATOM 1460 SD MET A 93 6.401 -0.324 -0.025 1.00 0.00 S ATOM 1461 CE MET A 93 5.995 1.263 -0.722 1.00 0.00 C ATOM 0 H MET A 93 10.366 -3.662 -0.152 1.00 0.00 H new ATOM 0 HA MET A 93 10.146 -1.391 -1.943 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.253 -2.717 -0.644 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.711 -1.691 0.701 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.493 0.250 -0.988 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.620 -0.902 -1.978 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.101 1.655 -0.237 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.825 1.952 -0.565 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.810 1.155 -1.791 1.00 0.00 H new