USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1009 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 103 GLN : amide:sc= 0.971 K(o=-1,f=-5.7) USER MOD Set 1.2: A 105 ASN : amide:sc= -1.97! C(o=-1!,f=-5.3!) USER MOD Set 2.1: A 94 ASN : amide:sc= -0.468 K(o=-0.47,f=-1.3) USER MOD Set 2.2: A 111 GLN : amide:sc= 0.00182 K(o=-0.47,f=-1.3) USER MOD Single : A 9 TYR OH : rot -131:sc= 1.26 USER MOD Single : A 12 TYR OH : rot 30:sc= -3.08 USER MOD Single : A 19 GLN : amide:sc= -0.016 K(o=-0.016,f=-1) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.779 USER MOD Single : A 21 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-8.8!) USER MOD Single : A 22 ASN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.905 X(o=-0.9,f=-0.96) USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 1.1 (180deg=1.09) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -56:sc= 1.14 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -133:sc= 0.674 (180deg=-1.18!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.896 K(o=-0.9,f=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 68 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.47) USER MOD Single : A 71 SER OG : rot -131:sc= 0.19 USER MOD Single : A 83 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-9.1!) USER MOD Single : A 87 THR OG1 : rot -34:sc= -1.12 USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= -0.0193 (180deg=-0.176) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -137:sc= -0.0428 (180deg=-0.324) USER MOD Single : A 96 TYR OH : rot 30:sc= -3.65! USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -141:sc= 1.01 USER MOD Single : A 119 GLN : amide:sc= -0.873 K(o=-0.87,f=-1.5!) USER MOD Single : A 121 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.48) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ILE A 7 12.284 -8.572 -1.743 1.00 0.35 N ATOM 147 CA ILE A 7 11.153 -7.708 -2.029 1.00 0.28 C ATOM 148 C ILE A 7 10.334 -7.435 -0.777 1.00 0.24 C ATOM 149 O ILE A 7 10.140 -8.315 0.063 1.00 0.31 O ATOM 150 CB ILE A 7 10.239 -8.321 -3.102 1.00 0.29 C ATOM 151 CG1 ILE A 7 11.039 -8.603 -4.373 1.00 0.36 C ATOM 152 CG2 ILE A 7 9.069 -7.396 -3.400 1.00 0.27 C ATOM 153 CD1 ILE A 7 10.192 -9.120 -5.514 1.00 0.43 C ATOM 0 HA ILE A 7 11.562 -6.768 -2.401 1.00 0.28 H new ATOM 0 HB ILE A 7 9.840 -9.262 -2.725 1.00 0.29 H new ATOM 0 HG12 ILE A 7 11.540 -7.688 -4.688 1.00 0.36 H new ATOM 0 HG13 ILE A 7 11.818 -9.332 -4.149 1.00 0.36 H new ATOM 0 HG21 ILE A 7 8.433 -7.847 -4.162 1.00 0.27 H new ATOM 0 HG22 ILE A 7 8.489 -7.238 -2.491 1.00 0.27 H new ATOM 0 HG23 ILE A 7 9.445 -6.439 -3.761 1.00 0.27 H new ATOM 0 HD11 ILE A 7 10.824 -9.299 -6.384 1.00 0.43 H new ATOM 0 HD12 ILE A 7 9.711 -10.052 -5.217 1.00 0.43 H new ATOM 0 HD13 ILE A 7 9.430 -8.382 -5.765 1.00 0.43 H new ATOM 165 N ASP A 8 9.859 -6.205 -0.663 1.00 0.19 N ATOM 166 CA ASP A 8 9.055 -5.794 0.476 1.00 0.16 C ATOM 167 C ASP A 8 7.758 -5.152 0.002 1.00 0.14 C ATOM 168 O ASP A 8 7.763 -4.050 -0.547 1.00 0.14 O ATOM 169 CB ASP A 8 9.841 -4.813 1.345 1.00 0.19 C ATOM 170 CG ASP A 8 9.078 -4.406 2.590 1.00 1.13 C ATOM 171 OD1 ASP A 8 9.075 -5.187 3.565 1.00 1.06 O ATOM 172 OD2 ASP A 8 8.483 -3.309 2.589 1.00 2.04 O ATOM 0 H ASP A 8 10.018 -5.469 -1.351 1.00 0.19 H new ATOM 0 HA ASP A 8 8.811 -6.675 1.070 1.00 0.16 H new ATOM 0 HB2 ASP A 8 10.789 -5.267 1.635 1.00 0.19 H new ATOM 0 HB3 ASP A 8 10.079 -3.924 0.761 1.00 0.19 H new ATOM 177 N TYR A 9 6.647 -5.850 0.218 1.00 0.12 N ATOM 178 CA TYR A 9 5.340 -5.354 -0.190 1.00 0.12 C ATOM 179 C TYR A 9 5.125 -3.936 0.310 1.00 0.11 C ATOM 180 O TYR A 9 4.494 -3.120 -0.360 1.00 0.12 O ATOM 181 CB TYR A 9 4.234 -6.265 0.340 1.00 0.14 C ATOM 182 CG TYR A 9 4.474 -7.726 0.053 1.00 0.16 C ATOM 183 CD1 TYR A 9 5.153 -8.122 -1.088 1.00 0.15 C ATOM 184 CD2 TYR A 9 4.017 -8.707 0.923 1.00 0.24 C ATOM 185 CE1 TYR A 9 5.372 -9.459 -1.358 1.00 0.18 C ATOM 186 CE2 TYR A 9 4.232 -10.046 0.662 1.00 0.27 C ATOM 187 CZ TYR A 9 4.923 -10.418 -0.469 1.00 0.23 C ATOM 188 OH TYR A 9 5.125 -11.751 -0.744 1.00 0.27 O ATOM 0 H TYR A 9 6.628 -6.762 0.674 1.00 0.12 H new ATOM 0 HA TYR A 9 5.304 -5.350 -1.279 1.00 0.12 H new ATOM 0 HB2 TYR A 9 4.142 -6.124 1.417 1.00 0.14 H new ATOM 0 HB3 TYR A 9 3.284 -5.966 -0.103 1.00 0.14 H new ATOM 0 HD1 TYR A 9 5.517 -7.374 -1.777 1.00 0.15 H new ATOM 0 HD2 TYR A 9 3.485 -8.418 1.818 1.00 0.24 H new ATOM 0 HE1 TYR A 9 5.891 -9.753 -2.258 1.00 0.18 H new ATOM 0 HE2 TYR A 9 3.860 -10.798 1.342 1.00 0.27 H new ATOM 0 HH TYR A 9 4.285 -12.241 -0.622 1.00 0.27 H new ATOM 198 N GLY A 10 5.659 -3.641 1.489 1.00 0.10 N ATOM 199 CA GLY A 10 5.512 -2.316 2.038 1.00 0.11 C ATOM 200 C GLY A 10 6.187 -1.291 1.160 1.00 0.10 C ATOM 201 O GLY A 10 5.545 -0.374 0.654 1.00 0.12 O ATOM 0 H GLY A 10 6.187 -4.294 2.068 1.00 0.10 H new ATOM 0 HA2 GLY A 10 4.454 -2.075 2.138 1.00 0.11 H new ATOM 0 HA3 GLY A 10 5.942 -2.283 3.039 1.00 0.11 H new ATOM 205 N LEU A 11 7.479 -1.470 0.941 1.00 0.10 N ATOM 206 CA LEU A 11 8.228 -0.556 0.101 1.00 0.11 C ATOM 207 C LEU A 11 7.600 -0.510 -1.280 1.00 0.11 C ATOM 208 O LEU A 11 7.467 0.553 -1.885 1.00 0.16 O ATOM 209 CB LEU A 11 9.684 -0.992 -0.005 1.00 0.13 C ATOM 210 CG LEU A 11 10.580 -0.037 -0.788 1.00 0.16 C ATOM 211 CD1 LEU A 11 10.642 1.320 -0.101 1.00 0.13 C ATOM 212 CD2 LEU A 11 11.968 -0.630 -0.946 1.00 0.23 C ATOM 0 H LEU A 11 8.027 -2.236 1.332 1.00 0.10 H new ATOM 0 HA LEU A 11 8.200 0.437 0.549 1.00 0.11 H new ATOM 0 HB2 LEU A 11 10.089 -1.106 1.000 1.00 0.13 H new ATOM 0 HB3 LEU A 11 9.722 -1.974 -0.477 1.00 0.13 H new ATOM 0 HG LEU A 11 10.155 0.108 -1.781 1.00 0.16 H new ATOM 0 HD11 LEU A 11 11.285 1.988 -0.673 1.00 0.13 H new ATOM 0 HD12 LEU A 11 9.640 1.744 -0.042 1.00 0.13 H new ATOM 0 HD13 LEU A 11 11.046 1.201 0.905 1.00 0.13 H new ATOM 0 HD21 LEU A 11 12.597 0.061 -1.506 1.00 0.23 H new ATOM 0 HD22 LEU A 11 12.404 -0.802 0.038 1.00 0.23 H new ATOM 0 HD23 LEU A 11 11.900 -1.576 -1.483 1.00 0.23 H new ATOM 224 N TYR A 12 7.210 -1.681 -1.765 1.00 0.09 N ATOM 225 CA TYR A 12 6.581 -1.792 -3.068 1.00 0.09 C ATOM 226 C TYR A 12 5.305 -0.969 -3.094 1.00 0.09 C ATOM 227 O TYR A 12 5.087 -0.167 -4.001 1.00 0.12 O ATOM 228 CB TYR A 12 6.275 -3.253 -3.386 1.00 0.09 C ATOM 229 CG TYR A 12 5.722 -3.464 -4.774 1.00 0.10 C ATOM 230 CD1 TYR A 12 6.086 -2.630 -5.823 1.00 0.14 C ATOM 231 CD2 TYR A 12 4.835 -4.498 -5.034 1.00 0.10 C ATOM 232 CE1 TYR A 12 5.579 -2.820 -7.092 1.00 0.16 C ATOM 233 CE2 TYR A 12 4.324 -4.696 -6.301 1.00 0.12 C ATOM 234 CZ TYR A 12 4.700 -3.853 -7.327 1.00 0.15 C ATOM 235 OH TYR A 12 4.193 -4.044 -8.591 1.00 0.18 O ATOM 0 H TYR A 12 7.320 -2.567 -1.272 1.00 0.09 H new ATOM 0 HA TYR A 12 7.265 -1.410 -3.826 1.00 0.09 H new ATOM 0 HB2 TYR A 12 7.187 -3.840 -3.274 1.00 0.09 H new ATOM 0 HB3 TYR A 12 5.560 -3.633 -2.657 1.00 0.09 H new ATOM 0 HD1 TYR A 12 6.777 -1.820 -5.643 1.00 0.14 H new ATOM 0 HD2 TYR A 12 4.539 -5.159 -4.232 1.00 0.10 H new ATOM 0 HE1 TYR A 12 5.870 -2.162 -7.897 1.00 0.16 H new ATOM 0 HE2 TYR A 12 3.634 -5.506 -6.488 1.00 0.12 H new ATOM 0 HH TYR A 12 4.846 -3.739 -9.255 1.00 0.18 H new ATOM 245 N ALA A 13 4.463 -1.174 -2.088 1.00 0.10 N ATOM 246 CA ALA A 13 3.220 -0.430 -1.984 1.00 0.12 C ATOM 247 C ALA A 13 3.521 1.057 -1.968 1.00 0.12 C ATOM 248 O ALA A 13 2.827 1.852 -2.599 1.00 0.13 O ATOM 249 CB ALA A 13 2.458 -0.834 -0.735 1.00 0.13 C ATOM 0 H ALA A 13 4.620 -1.847 -1.337 1.00 0.10 H new ATOM 0 HA ALA A 13 2.594 -0.658 -2.847 1.00 0.12 H new ATOM 0 HB1 ALA A 13 1.530 -0.266 -0.675 1.00 0.13 H new ATOM 0 HB2 ALA A 13 2.229 -1.899 -0.777 1.00 0.13 H new ATOM 0 HB3 ALA A 13 3.067 -0.628 0.145 1.00 0.13 H new ATOM 255 N LEU A 14 4.573 1.424 -1.243 1.00 0.11 N ATOM 256 CA LEU A 14 4.984 2.813 -1.162 1.00 0.11 C ATOM 257 C LEU A 14 5.327 3.311 -2.554 1.00 0.12 C ATOM 258 O LEU A 14 4.868 4.367 -2.985 1.00 0.14 O ATOM 259 CB LEU A 14 6.203 2.959 -0.248 1.00 0.12 C ATOM 260 CG LEU A 14 6.243 4.231 0.604 1.00 0.10 C ATOM 261 CD1 LEU A 14 7.661 4.511 1.068 1.00 0.11 C ATOM 262 CD2 LEU A 14 5.691 5.426 -0.160 1.00 0.10 C ATOM 0 H LEU A 14 5.152 0.778 -0.706 1.00 0.11 H new ATOM 0 HA LEU A 14 4.167 3.403 -0.747 1.00 0.11 H new ATOM 0 HB2 LEU A 14 6.241 2.096 0.417 1.00 0.12 H new ATOM 0 HB3 LEU A 14 7.102 2.927 -0.863 1.00 0.12 H new ATOM 0 HG LEU A 14 5.611 4.070 1.477 1.00 0.10 H new ATOM 0 HD11 LEU A 14 7.674 5.418 1.672 1.00 0.11 H new ATOM 0 HD12 LEU A 14 8.021 3.673 1.664 1.00 0.11 H new ATOM 0 HD13 LEU A 14 8.308 4.644 0.201 1.00 0.11 H new ATOM 0 HD21 LEU A 14 5.733 6.313 0.472 1.00 0.10 H new ATOM 0 HD22 LEU A 14 6.287 5.591 -1.057 1.00 0.10 H new ATOM 0 HD23 LEU A 14 4.657 5.231 -0.443 1.00 0.10 H new ATOM 274 N GLU A 15 6.150 2.533 -3.244 1.00 0.11 N ATOM 275 CA GLU A 15 6.553 2.855 -4.602 1.00 0.13 C ATOM 276 C GLU A 15 5.328 3.015 -5.483 1.00 0.13 C ATOM 277 O GLU A 15 5.158 4.025 -6.160 1.00 0.15 O ATOM 278 CB GLU A 15 7.431 1.738 -5.159 1.00 0.14 C ATOM 279 CG GLU A 15 8.738 1.555 -4.415 1.00 0.16 C ATOM 280 CD GLU A 15 9.322 0.167 -4.601 1.00 0.26 C ATOM 281 OE1 GLU A 15 9.808 -0.128 -5.713 1.00 0.34 O ATOM 282 OE2 GLU A 15 9.297 -0.624 -3.635 1.00 0.35 O ATOM 0 H GLU A 15 6.553 1.669 -2.881 1.00 0.11 H new ATOM 0 HA GLU A 15 7.114 3.789 -4.590 1.00 0.13 H new ATOM 0 HB2 GLU A 15 6.873 0.802 -5.129 1.00 0.14 H new ATOM 0 HB3 GLU A 15 7.647 1.947 -6.207 1.00 0.14 H new ATOM 0 HG2 GLU A 15 9.457 2.298 -4.761 1.00 0.16 H new ATOM 0 HG3 GLU A 15 8.577 1.739 -3.353 1.00 0.16 H new ATOM 289 N ILE A 16 4.467 2.007 -5.452 1.00 0.11 N ATOM 290 CA ILE A 16 3.248 2.008 -6.238 1.00 0.12 C ATOM 291 C ILE A 16 2.420 3.245 -5.939 1.00 0.11 C ATOM 292 O ILE A 16 1.972 3.945 -6.847 1.00 0.14 O ATOM 293 CB ILE A 16 2.417 0.753 -5.934 1.00 0.12 C ATOM 294 CG1 ILE A 16 3.232 -0.501 -6.239 1.00 0.13 C ATOM 295 CG2 ILE A 16 1.121 0.760 -6.728 1.00 0.13 C ATOM 296 CD1 ILE A 16 2.803 -1.703 -5.434 1.00 0.25 C ATOM 0 H ILE A 16 4.596 1.170 -4.883 1.00 0.11 H new ATOM 0 HA ILE A 16 3.525 2.012 -7.292 1.00 0.12 H new ATOM 0 HB ILE A 16 2.161 0.753 -4.875 1.00 0.12 H new ATOM 0 HG12 ILE A 16 3.145 -0.733 -7.300 1.00 0.13 H new ATOM 0 HG13 ILE A 16 4.285 -0.298 -6.043 1.00 0.13 H new ATOM 0 HG21 ILE A 16 0.548 -0.138 -6.497 1.00 0.13 H new ATOM 0 HG22 ILE A 16 0.537 1.641 -6.463 1.00 0.13 H new ATOM 0 HG23 ILE A 16 1.347 0.782 -7.794 1.00 0.13 H new ATOM 0 HD11 ILE A 16 3.423 -2.559 -5.700 1.00 0.25 H new ATOM 0 HD12 ILE A 16 2.917 -1.489 -4.371 1.00 0.25 H new ATOM 0 HD13 ILE A 16 1.759 -1.931 -5.648 1.00 0.25 H new ATOM 308 N LEU A 17 2.219 3.507 -4.655 1.00 0.10 N ATOM 309 CA LEU A 17 1.460 4.667 -4.230 1.00 0.10 C ATOM 310 C LEU A 17 2.215 5.927 -4.605 1.00 0.11 C ATOM 311 O LEU A 17 1.623 6.945 -4.960 1.00 0.16 O ATOM 312 CB LEU A 17 1.222 4.618 -2.724 1.00 0.10 C ATOM 313 CG LEU A 17 0.401 3.423 -2.249 1.00 0.10 C ATOM 314 CD1 LEU A 17 0.552 3.243 -0.751 1.00 0.12 C ATOM 315 CD2 LEU A 17 -1.059 3.605 -2.629 1.00 0.12 C ATOM 0 H LEU A 17 2.572 2.930 -3.892 1.00 0.10 H new ATOM 0 HA LEU A 17 0.491 4.668 -4.730 1.00 0.10 H new ATOM 0 HB2 LEU A 17 2.187 4.604 -2.217 1.00 0.10 H new ATOM 0 HB3 LEU A 17 0.716 5.534 -2.419 1.00 0.10 H new ATOM 0 HG LEU A 17 0.772 2.523 -2.739 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -0.039 2.387 -0.426 1.00 0.12 H new ATOM 0 HD12 LEU A 17 1.601 3.073 -0.509 1.00 0.12 H new ATOM 0 HD13 LEU A 17 0.203 4.140 -0.240 1.00 0.12 H new ATOM 0 HD21 LEU A 17 -1.634 2.746 -2.285 1.00 0.12 H new ATOM 0 HD22 LEU A 17 -1.446 4.511 -2.163 1.00 0.12 H new ATOM 0 HD23 LEU A 17 -1.145 3.689 -3.712 1.00 0.12 H new ATOM 327 N ALA A 18 3.537 5.843 -4.532 1.00 0.08 N ATOM 328 CA ALA A 18 4.388 6.963 -4.883 1.00 0.10 C ATOM 329 C ALA A 18 4.283 7.233 -6.373 1.00 0.12 C ATOM 330 O ALA A 18 4.248 8.378 -6.817 1.00 0.14 O ATOM 331 CB ALA A 18 5.830 6.683 -4.493 1.00 0.11 C ATOM 0 H ALA A 18 4.040 5.008 -4.232 1.00 0.08 H new ATOM 0 HA ALA A 18 4.056 7.846 -4.336 1.00 0.10 H new ATOM 0 HB1 ALA A 18 6.453 7.535 -4.765 1.00 0.11 H new ATOM 0 HB2 ALA A 18 5.890 6.518 -3.417 1.00 0.11 H new ATOM 0 HB3 ALA A 18 6.183 5.795 -5.017 1.00 0.11 H new ATOM 337 N GLN A 19 4.233 6.152 -7.139 1.00 0.14 N ATOM 338 CA GLN A 19 4.110 6.242 -8.583 1.00 0.16 C ATOM 339 C GLN A 19 2.683 6.597 -8.956 1.00 0.16 C ATOM 340 O GLN A 19 2.432 7.229 -9.983 1.00 0.18 O ATOM 341 CB GLN A 19 4.505 4.921 -9.234 1.00 0.20 C ATOM 342 CG GLN A 19 5.975 4.582 -9.075 1.00 0.23 C ATOM 343 CD GLN A 19 6.404 3.421 -9.952 1.00 0.32 C ATOM 344 OE1 GLN A 19 5.864 3.219 -11.040 1.00 0.80 O ATOM 345 NE2 GLN A 19 7.375 2.647 -9.479 1.00 0.40 N ATOM 0 H GLN A 19 4.276 5.198 -6.780 1.00 0.14 H new ATOM 0 HA GLN A 19 4.780 7.022 -8.944 1.00 0.16 H new ATOM 0 HB2 GLN A 19 3.907 4.119 -8.801 1.00 0.20 H new ATOM 0 HB3 GLN A 19 4.263 4.962 -10.296 1.00 0.20 H new ATOM 0 HG2 GLN A 19 6.575 5.459 -9.320 1.00 0.23 H new ATOM 0 HG3 GLN A 19 6.177 4.339 -8.032 1.00 0.23 H new ATOM 0 HE21 GLN A 19 7.794 2.852 -8.572 1.00 0.40 H new ATOM 0 HE22 GLN A 19 7.701 1.848 -10.023 1.00 0.40 H new ATOM 354 N TYR A 20 1.747 6.180 -8.111 1.00 0.16 N ATOM 355 CA TYR A 20 0.344 6.467 -8.336 1.00 0.17 C ATOM 356 C TYR A 20 0.122 7.968 -8.281 1.00 0.16 C ATOM 357 O TYR A 20 -0.721 8.518 -8.990 1.00 0.17 O ATOM 358 CB TYR A 20 -0.514 5.778 -7.279 1.00 0.19 C ATOM 359 CG TYR A 20 -1.988 6.042 -7.444 1.00 0.22 C ATOM 360 CD1 TYR A 20 -2.751 5.283 -8.318 1.00 0.26 C ATOM 361 CD2 TYR A 20 -2.615 7.045 -6.721 1.00 0.23 C ATOM 362 CE1 TYR A 20 -4.103 5.516 -8.468 1.00 0.30 C ATOM 363 CE2 TYR A 20 -3.967 7.286 -6.864 1.00 0.27 C ATOM 364 CZ TYR A 20 -4.702 6.538 -7.756 1.00 0.30 C ATOM 365 OH TYR A 20 -6.054 6.756 -7.883 1.00 0.36 O ATOM 0 H TYR A 20 1.939 5.643 -7.266 1.00 0.16 H new ATOM 0 HA TYR A 20 0.056 6.091 -9.318 1.00 0.17 H new ATOM 0 HB2 TYR A 20 -0.337 4.703 -7.322 1.00 0.19 H new ATOM 0 HB3 TYR A 20 -0.200 6.114 -6.291 1.00 0.19 H new ATOM 0 HD1 TYR A 20 -2.280 4.497 -8.890 1.00 0.26 H new ATOM 0 HD2 TYR A 20 -2.037 7.647 -6.035 1.00 0.23 H new ATOM 0 HE1 TYR A 20 -4.689 4.904 -9.137 1.00 0.30 H new ATOM 0 HE2 TYR A 20 -4.446 8.057 -6.279 1.00 0.27 H new ATOM 0 HH TYR A 20 -6.318 7.510 -7.316 1.00 0.36 H new ATOM 375 N HIS A 21 0.898 8.620 -7.426 1.00 0.14 N ATOM 376 CA HIS A 21 0.826 10.060 -7.264 1.00 0.15 C ATOM 377 C HIS A 21 1.900 10.762 -8.093 1.00 0.16 C ATOM 378 O HIS A 21 2.021 11.985 -8.049 1.00 0.20 O ATOM 379 CB HIS A 21 0.980 10.424 -5.792 1.00 0.18 C ATOM 380 CG HIS A 21 -0.247 10.149 -4.984 1.00 0.19 C ATOM 381 ND1 HIS A 21 -1.260 11.071 -4.884 1.00 0.20 N ATOM 382 CD2 HIS A 21 -0.583 9.044 -4.276 1.00 0.21 C ATOM 383 CE1 HIS A 21 -2.184 10.512 -4.125 1.00 0.21 C ATOM 384 NE2 HIS A 21 -1.818 9.284 -3.730 1.00 0.23 N ATOM 0 H HIS A 21 1.590 8.166 -6.830 1.00 0.14 H new ATOM 0 HA HIS A 21 -0.148 10.396 -7.619 1.00 0.15 H new ATOM 0 HB2 HIS A 21 1.816 9.865 -5.372 1.00 0.18 H new ATOM 0 HB3 HIS A 21 1.231 11.482 -5.711 1.00 0.18 H new ATOM 0 HD2 HIS A 21 0.008 8.147 -4.163 1.00 0.21 H new ATOM 0 HE1 HIS A 21 -3.117 10.984 -3.856 1.00 0.21 H new ATOM 0 HE2 HIS A 21 -2.355 8.650 -3.138 1.00 0.23 H new ATOM 392 N ASN A 22 2.684 9.982 -8.840 1.00 0.15 N ATOM 393 CA ASN A 22 3.739 10.536 -9.675 1.00 0.18 C ATOM 394 C ASN A 22 4.811 11.185 -8.815 1.00 0.19 C ATOM 395 O ASN A 22 5.490 12.119 -9.244 1.00 0.21 O ATOM 396 CB ASN A 22 3.165 11.554 -10.657 1.00 0.20 C ATOM 397 CG ASN A 22 2.214 10.921 -11.650 1.00 0.87 C ATOM 398 OD1 ASN A 22 2.602 10.569 -12.765 1.00 1.35 O ATOM 399 ND2 ASN A 22 0.961 10.767 -11.245 1.00 1.28 N ATOM 0 H ASN A 22 2.604 8.966 -8.880 1.00 0.15 H new ATOM 0 HA ASN A 22 4.191 9.722 -10.242 1.00 0.18 H new ATOM 0 HB2 ASN A 22 2.643 12.335 -10.104 1.00 0.20 H new ATOM 0 HB3 ASN A 22 3.981 12.036 -11.195 1.00 0.20 H new ATOM 0 HD21 ASN A 22 0.273 10.342 -11.866 1.00 1.28 H new ATOM 0 HD22 ASN A 22 0.685 11.074 -10.312 1.00 1.28 H new ATOM 406 N VAL A 23 4.955 10.680 -7.598 1.00 0.19 N ATOM 407 CA VAL A 23 5.940 11.202 -6.670 1.00 0.22 C ATOM 408 C VAL A 23 7.160 10.293 -6.622 1.00 0.25 C ATOM 409 O VAL A 23 7.045 9.082 -6.433 1.00 0.35 O ATOM 410 CB VAL A 23 5.345 11.363 -5.258 1.00 0.23 C ATOM 411 CG1 VAL A 23 4.703 10.073 -4.799 1.00 0.26 C ATOM 412 CG2 VAL A 23 6.403 11.817 -4.268 1.00 0.26 C ATOM 0 H VAL A 23 4.399 9.907 -7.232 1.00 0.19 H new ATOM 0 HA VAL A 23 6.245 12.186 -7.026 1.00 0.22 H new ATOM 0 HB VAL A 23 4.575 12.133 -5.304 1.00 0.23 H new ATOM 0 HG11 VAL A 23 4.289 10.208 -3.800 1.00 0.26 H new ATOM 0 HG12 VAL A 23 3.905 9.798 -5.488 1.00 0.26 H new ATOM 0 HG13 VAL A 23 5.452 9.281 -4.777 1.00 0.26 H new ATOM 0 HG21 VAL A 23 5.955 11.922 -3.280 1.00 0.26 H new ATOM 0 HG22 VAL A 23 7.204 11.078 -4.227 1.00 0.26 H new ATOM 0 HG23 VAL A 23 6.811 12.777 -4.586 1.00 0.26 H new ATOM 422 N SER A 24 8.328 10.893 -6.797 1.00 0.22 N ATOM 423 CA SER A 24 9.583 10.157 -6.795 1.00 0.25 C ATOM 424 C SER A 24 9.676 9.212 -5.606 1.00 0.27 C ATOM 425 O SER A 24 9.096 9.462 -4.550 1.00 0.49 O ATOM 426 CB SER A 24 10.762 11.128 -6.772 1.00 0.35 C ATOM 427 OG SER A 24 10.758 11.965 -7.915 1.00 0.82 O ATOM 0 H SER A 24 8.432 11.897 -6.943 1.00 0.22 H new ATOM 0 HA SER A 24 9.617 9.560 -7.707 1.00 0.25 H new ATOM 0 HB2 SER A 24 10.716 11.739 -5.870 1.00 0.35 H new ATOM 0 HB3 SER A 24 11.697 10.569 -6.731 1.00 0.35 H new ATOM 0 HG SER A 24 11.522 12.578 -7.874 1.00 0.82 H new ATOM 433 N VAL A 25 10.409 8.123 -5.794 1.00 0.20 N ATOM 434 CA VAL A 25 10.604 7.133 -4.748 1.00 0.17 C ATOM 435 C VAL A 25 11.834 6.287 -5.033 1.00 0.18 C ATOM 436 O VAL A 25 11.928 5.643 -6.078 1.00 0.25 O ATOM 437 CB VAL A 25 9.381 6.207 -4.595 1.00 0.13 C ATOM 438 CG1 VAL A 25 9.070 5.509 -5.908 1.00 0.13 C ATOM 439 CG2 VAL A 25 9.618 5.186 -3.491 1.00 0.15 C ATOM 0 H VAL A 25 10.882 7.903 -6.671 1.00 0.20 H new ATOM 0 HA VAL A 25 10.740 7.682 -3.816 1.00 0.17 H new ATOM 0 HB VAL A 25 8.522 6.818 -4.320 1.00 0.13 H new ATOM 0 HG11 VAL A 25 8.204 4.860 -5.779 1.00 0.13 H new ATOM 0 HG12 VAL A 25 8.854 6.254 -6.674 1.00 0.13 H new ATOM 0 HG13 VAL A 25 9.928 4.911 -6.215 1.00 0.13 H new ATOM 0 HG21 VAL A 25 8.744 4.541 -3.398 1.00 0.15 H new ATOM 0 HG22 VAL A 25 10.491 4.581 -3.736 1.00 0.15 H new ATOM 0 HG23 VAL A 25 9.789 5.704 -2.547 1.00 0.15 H new ATOM 449 N ASN A 26 12.782 6.304 -4.108 1.00 0.15 N ATOM 450 CA ASN A 26 14.000 5.528 -4.254 1.00 0.15 C ATOM 451 C ASN A 26 14.009 4.378 -3.259 1.00 0.16 C ATOM 452 O ASN A 26 14.529 4.504 -2.151 1.00 0.17 O ATOM 453 CB ASN A 26 15.226 6.410 -4.058 1.00 0.16 C ATOM 454 CG ASN A 26 16.514 5.671 -4.341 1.00 0.18 C ATOM 455 OD1 ASN A 26 16.527 4.668 -5.056 1.00 0.20 O ATOM 456 ND2 ASN A 26 17.609 6.173 -3.793 1.00 0.20 N ATOM 0 H ASN A 26 12.729 6.849 -3.247 1.00 0.15 H new ATOM 0 HA ASN A 26 14.032 5.119 -5.264 1.00 0.15 H new ATOM 0 HB2 ASN A 26 15.156 7.278 -4.714 1.00 0.16 H new ATOM 0 HB3 ASN A 26 15.242 6.785 -3.035 1.00 0.16 H new ATOM 0 HD21 ASN A 26 18.512 5.727 -3.956 1.00 0.20 H new ATOM 0 HD22 ASN A 26 17.550 7.006 -3.207 1.00 0.20 H new ATOM 463 N PRO A 27 13.426 3.235 -3.652 1.00 0.17 N ATOM 464 CA PRO A 27 13.350 2.049 -2.801 1.00 0.19 C ATOM 465 C PRO A 27 14.652 1.793 -2.065 1.00 0.20 C ATOM 466 O PRO A 27 14.663 1.258 -0.959 1.00 0.25 O ATOM 467 CB PRO A 27 13.072 0.935 -3.802 1.00 0.23 C ATOM 468 CG PRO A 27 12.299 1.597 -4.889 1.00 0.30 C ATOM 469 CD PRO A 27 12.807 3.007 -4.971 1.00 0.19 C ATOM 0 HA PRO A 27 12.596 2.141 -2.019 1.00 0.19 H new ATOM 0 HB2 PRO A 27 13.997 0.501 -4.180 1.00 0.23 H new ATOM 0 HB3 PRO A 27 12.503 0.125 -3.347 1.00 0.23 H new ATOM 0 HG2 PRO A 27 12.439 1.078 -5.837 1.00 0.30 H new ATOM 0 HG3 PRO A 27 11.231 1.581 -4.672 1.00 0.30 H new ATOM 0 HD2 PRO A 27 13.530 3.125 -5.778 1.00 0.19 H new ATOM 0 HD3 PRO A 27 11.999 3.713 -5.161 1.00 0.19 H new ATOM 477 N GLU A 28 15.747 2.186 -2.690 1.00 0.18 N ATOM 478 CA GLU A 28 17.064 2.008 -2.104 1.00 0.19 C ATOM 479 C GLU A 28 17.235 2.943 -0.919 1.00 0.19 C ATOM 480 O GLU A 28 17.726 2.546 0.138 1.00 0.21 O ATOM 481 CB GLU A 28 18.145 2.286 -3.145 1.00 0.21 C ATOM 482 CG GLU A 28 17.894 1.606 -4.481 1.00 0.23 C ATOM 483 CD GLU A 28 18.987 1.888 -5.493 1.00 0.72 C ATOM 484 OE1 GLU A 28 18.894 2.918 -6.194 1.00 1.24 O ATOM 485 OE2 GLU A 28 19.935 1.081 -5.583 1.00 0.70 O ATOM 0 H GLU A 28 15.750 2.632 -3.607 1.00 0.18 H new ATOM 0 HA GLU A 28 17.160 0.978 -1.762 1.00 0.19 H new ATOM 0 HB2 GLU A 28 18.217 3.362 -3.303 1.00 0.21 H new ATOM 0 HB3 GLU A 28 19.107 1.956 -2.754 1.00 0.21 H new ATOM 0 HG2 GLU A 28 17.815 0.530 -4.328 1.00 0.23 H new ATOM 0 HG3 GLU A 28 16.938 1.942 -4.882 1.00 0.23 H new ATOM 492 N GLU A 29 16.826 4.189 -1.109 1.00 0.18 N ATOM 493 CA GLU A 29 16.920 5.194 -0.063 1.00 0.18 C ATOM 494 C GLU A 29 15.861 4.952 0.997 1.00 0.16 C ATOM 495 O GLU A 29 16.127 5.057 2.195 1.00 0.20 O ATOM 496 CB GLU A 29 16.752 6.590 -0.651 1.00 0.20 C ATOM 497 CG GLU A 29 16.742 7.683 0.395 1.00 0.22 C ATOM 498 CD GLU A 29 16.468 9.053 -0.192 1.00 1.02 C ATOM 499 OE1 GLU A 29 15.283 9.435 -0.280 1.00 1.85 O ATOM 500 OE2 GLU A 29 17.440 9.745 -0.564 1.00 0.95 O ATOM 0 H GLU A 29 16.424 4.528 -1.983 1.00 0.18 H new ATOM 0 HA GLU A 29 17.906 5.120 0.397 1.00 0.18 H new ATOM 0 HB2 GLU A 29 17.561 6.779 -1.356 1.00 0.20 H new ATOM 0 HB3 GLU A 29 15.821 6.629 -1.216 1.00 0.20 H new ATOM 0 HG2 GLU A 29 15.984 7.456 1.145 1.00 0.22 H new ATOM 0 HG3 GLU A 29 17.704 7.698 0.908 1.00 0.22 H new ATOM 507 N ILE A 30 14.656 4.624 0.546 1.00 0.14 N ATOM 508 CA ILE A 30 13.552 4.361 1.454 1.00 0.14 C ATOM 509 C ILE A 30 13.955 3.312 2.473 1.00 0.14 C ATOM 510 O ILE A 30 13.672 3.431 3.664 1.00 0.21 O ATOM 511 CB ILE A 30 12.306 3.866 0.701 1.00 0.17 C ATOM 512 CG1 ILE A 30 11.870 4.889 -0.346 1.00 0.22 C ATOM 513 CG2 ILE A 30 11.177 3.580 1.678 1.00 0.17 C ATOM 514 CD1 ILE A 30 11.528 6.239 0.238 1.00 0.28 C ATOM 0 H ILE A 30 14.421 4.534 -0.443 1.00 0.14 H new ATOM 0 HA ILE A 30 13.310 5.299 1.953 1.00 0.14 H new ATOM 0 HB ILE A 30 12.557 2.939 0.186 1.00 0.17 H new ATOM 0 HG12 ILE A 30 12.668 5.010 -1.079 1.00 0.22 H new ATOM 0 HG13 ILE A 30 11.002 4.503 -0.881 1.00 0.22 H new ATOM 0 HG21 ILE A 30 10.302 3.230 1.130 1.00 0.17 H new ATOM 0 HG22 ILE A 30 11.493 2.813 2.385 1.00 0.17 H new ATOM 0 HG23 ILE A 30 10.926 4.491 2.220 1.00 0.17 H new ATOM 0 HD11 ILE A 30 11.227 6.916 -0.562 1.00 0.28 H new ATOM 0 HD12 ILE A 30 10.709 6.131 0.949 1.00 0.28 H new ATOM 0 HD13 ILE A 30 12.401 6.646 0.748 1.00 0.28 H new ATOM 526 N LYS A 31 14.609 2.273 1.994 1.00 0.15 N ATOM 527 CA LYS A 31 15.058 1.209 2.865 1.00 0.20 C ATOM 528 C LYS A 31 16.288 1.639 3.643 1.00 0.21 C ATOM 529 O LYS A 31 16.515 1.205 4.771 1.00 0.26 O ATOM 530 CB LYS A 31 15.371 -0.041 2.058 1.00 0.26 C ATOM 531 CG LYS A 31 14.148 -0.667 1.419 1.00 0.80 C ATOM 532 CD LYS A 31 14.418 -2.100 1.003 1.00 0.82 C ATOM 533 CE LYS A 31 15.644 -2.194 0.109 1.00 0.65 C ATOM 534 NZ LYS A 31 15.464 -1.440 -1.162 1.00 1.35 N ATOM 0 H LYS A 31 14.840 2.144 1.009 1.00 0.15 H new ATOM 0 HA LYS A 31 14.257 0.986 3.569 1.00 0.20 H new ATOM 0 HB2 LYS A 31 16.091 0.209 1.279 1.00 0.26 H new ATOM 0 HB3 LYS A 31 15.848 -0.774 2.708 1.00 0.26 H new ATOM 0 HG2 LYS A 31 13.314 -0.640 2.121 1.00 0.80 H new ATOM 0 HG3 LYS A 31 13.850 -0.083 0.548 1.00 0.80 H new ATOM 0 HD2 LYS A 31 14.564 -2.717 1.890 1.00 0.82 H new ATOM 0 HD3 LYS A 31 13.550 -2.498 0.477 1.00 0.82 H new ATOM 0 HE2 LYS A 31 16.512 -1.806 0.642 1.00 0.65 H new ATOM 0 HE3 LYS A 31 15.850 -3.241 -0.116 1.00 0.65 H new ATOM 0 HZ1 LYS A 31 16.308 -1.557 -1.758 1.00 1.35 H new ATOM 0 HZ2 LYS A 31 14.631 -1.804 -1.667 1.00 1.35 H new ATOM 0 HZ3 LYS A 31 15.327 -0.431 -0.951 1.00 1.35 H new ATOM 548 N HIS A 32 17.075 2.497 3.023 1.00 0.19 N ATOM 549 CA HIS A 32 18.294 2.998 3.630 1.00 0.23 C ATOM 550 C HIS A 32 17.980 3.866 4.839 1.00 0.23 C ATOM 551 O HIS A 32 18.714 3.872 5.826 1.00 0.29 O ATOM 552 CB HIS A 32 19.070 3.819 2.604 1.00 0.25 C ATOM 553 CG HIS A 32 20.480 4.111 3.008 1.00 0.32 C ATOM 554 ND1 HIS A 32 20.867 5.300 3.588 1.00 0.37 N ATOM 555 CD2 HIS A 32 21.599 3.360 2.907 1.00 0.38 C ATOM 556 CE1 HIS A 32 22.166 5.267 3.826 1.00 0.44 C ATOM 557 NE2 HIS A 32 22.635 4.100 3.423 1.00 0.44 N ATOM 0 H HIS A 32 16.890 2.865 2.090 1.00 0.19 H new ATOM 0 HA HIS A 32 18.893 2.149 3.959 1.00 0.23 H new ATOM 0 HB2 HIS A 32 19.077 3.284 1.654 1.00 0.25 H new ATOM 0 HB3 HIS A 32 18.548 4.761 2.435 1.00 0.25 H new ATOM 0 HD2 HIS A 32 21.666 2.363 2.497 1.00 0.38 H new ATOM 0 HE1 HIS A 32 22.746 6.060 4.274 1.00 0.44 H new ATOM 0 HE2 HIS A 32 23.607 3.798 3.485 1.00 0.44 H new ATOM 566 N ARG A 33 16.879 4.596 4.746 1.00 0.19 N ATOM 567 CA ARG A 33 16.465 5.500 5.807 1.00 0.21 C ATOM 568 C ARG A 33 15.370 4.914 6.687 1.00 0.21 C ATOM 569 O ARG A 33 15.313 5.191 7.886 1.00 0.27 O ATOM 570 CB ARG A 33 15.956 6.796 5.189 1.00 0.24 C ATOM 571 CG ARG A 33 16.965 7.465 4.279 1.00 0.29 C ATOM 572 CD ARG A 33 16.407 8.746 3.683 1.00 0.36 C ATOM 573 NE ARG A 33 15.997 9.697 4.711 1.00 0.47 N ATOM 574 CZ ARG A 33 15.628 10.947 4.451 1.00 0.64 C ATOM 575 NH1 ARG A 33 15.625 11.395 3.203 1.00 1.13 N ATOM 576 NH2 ARG A 33 15.262 11.752 5.440 1.00 0.71 N ATOM 0 H ARG A 33 16.253 4.579 3.941 1.00 0.19 H new ATOM 0 HA ARG A 33 17.336 5.677 6.438 1.00 0.21 H new ATOM 0 HB2 ARG A 33 15.049 6.588 4.622 1.00 0.24 H new ATOM 0 HB3 ARG A 33 15.682 7.487 5.986 1.00 0.24 H new ATOM 0 HG2 ARG A 33 17.872 7.688 4.840 1.00 0.29 H new ATOM 0 HG3 ARG A 33 17.245 6.781 3.478 1.00 0.29 H new ATOM 0 HD2 ARG A 33 17.161 9.206 3.044 1.00 0.36 H new ATOM 0 HD3 ARG A 33 15.553 8.508 3.049 1.00 0.36 H new ATOM 0 HE ARG A 33 15.993 9.385 5.682 1.00 0.47 H new ATOM 0 HH11 ARG A 33 15.906 10.780 2.440 1.00 1.13 H new ATOM 0 HH12 ARG A 33 15.341 12.355 3.006 1.00 1.13 H new ATOM 0 HH21 ARG A 33 15.264 11.412 6.402 1.00 0.71 H new ATOM 0 HH22 ARG A 33 14.979 12.711 5.239 1.00 0.71 H new ATOM 590 N PHE A 34 14.503 4.102 6.099 1.00 0.17 N ATOM 591 CA PHE A 34 13.385 3.541 6.845 1.00 0.21 C ATOM 592 C PHE A 34 13.500 2.033 7.063 1.00 0.22 C ATOM 593 O PHE A 34 13.043 1.521 8.085 1.00 0.31 O ATOM 594 CB PHE A 34 12.086 3.890 6.124 1.00 0.23 C ATOM 595 CG PHE A 34 11.930 5.371 5.912 1.00 0.21 C ATOM 596 CD1 PHE A 34 12.575 6.008 4.862 1.00 0.21 C ATOM 597 CD2 PHE A 34 11.152 6.129 6.770 1.00 0.29 C ATOM 598 CE1 PHE A 34 12.445 7.368 4.672 1.00 0.24 C ATOM 599 CE2 PHE A 34 11.021 7.491 6.585 1.00 0.29 C ATOM 600 CZ PHE A 34 11.667 8.112 5.535 1.00 0.23 C ATOM 0 H PHE A 34 14.550 3.819 5.120 1.00 0.17 H new ATOM 0 HA PHE A 34 13.395 3.983 7.842 1.00 0.21 H new ATOM 0 HB2 PHE A 34 12.061 3.383 5.160 1.00 0.23 H new ATOM 0 HB3 PHE A 34 11.241 3.517 6.702 1.00 0.23 H new ATOM 0 HD1 PHE A 34 13.187 5.431 4.184 1.00 0.21 H new ATOM 0 HD2 PHE A 34 10.642 5.650 7.593 1.00 0.29 H new ATOM 0 HE1 PHE A 34 12.952 7.850 3.849 1.00 0.24 H new ATOM 0 HE2 PHE A 34 10.412 8.071 7.263 1.00 0.29 H new ATOM 0 HZ PHE A 34 11.564 9.177 5.389 1.00 0.23 H new ATOM 610 N ASP A 35 14.102 1.320 6.122 1.00 0.19 N ATOM 611 CA ASP A 35 14.255 -0.127 6.266 1.00 0.22 C ATOM 612 C ASP A 35 15.676 -0.468 6.676 1.00 0.29 C ATOM 613 O ASP A 35 16.238 -1.477 6.250 1.00 0.34 O ATOM 614 CB ASP A 35 13.901 -0.849 4.971 1.00 0.23 C ATOM 615 CG ASP A 35 13.597 -2.316 5.186 1.00 0.28 C ATOM 616 OD1 ASP A 35 14.330 -2.965 5.961 1.00 1.10 O ATOM 617 OD2 ASP A 35 12.628 -2.818 4.580 1.00 0.94 O ATOM 0 H ASP A 35 14.488 1.709 5.262 1.00 0.19 H new ATOM 0 HA ASP A 35 13.568 -0.461 7.043 1.00 0.22 H new ATOM 0 HB2 ASP A 35 13.037 -0.366 4.515 1.00 0.23 H new ATOM 0 HB3 ASP A 35 14.728 -0.753 4.268 1.00 0.23 H new ATOM 622 N THR A 36 16.248 0.388 7.506 1.00 0.31 N ATOM 623 CA THR A 36 17.605 0.195 7.990 1.00 0.39 C ATOM 624 C THR A 36 17.793 -1.211 8.547 1.00 0.46 C ATOM 625 O THR A 36 18.907 -1.732 8.582 1.00 0.54 O ATOM 626 CB THR A 36 17.961 1.219 9.079 1.00 0.43 C ATOM 627 OG1 THR A 36 17.161 0.993 10.246 1.00 0.47 O ATOM 628 CG2 THR A 36 17.741 2.636 8.576 1.00 0.39 C ATOM 0 H THR A 36 15.791 1.228 7.860 1.00 0.31 H new ATOM 0 HA THR A 36 18.270 0.337 7.138 1.00 0.39 H new ATOM 0 HB THR A 36 19.014 1.097 9.333 1.00 0.43 H new ATOM 0 HG1 THR A 36 17.396 1.649 10.935 1.00 0.47 H new ATOM 0 HG21 THR A 36 17.999 3.345 9.362 1.00 0.39 H new ATOM 0 HG22 THR A 36 18.371 2.815 7.705 1.00 0.39 H new ATOM 0 HG23 THR A 36 16.695 2.766 8.299 1.00 0.39 H new ATOM 636 N ASP A 37 16.694 -1.821 8.981 1.00 0.45 N ATOM 637 CA ASP A 37 16.737 -3.167 9.530 1.00 0.51 C ATOM 638 C ASP A 37 16.788 -4.205 8.415 1.00 0.50 C ATOM 639 O ASP A 37 17.223 -5.337 8.627 1.00 0.58 O ATOM 640 CB ASP A 37 15.519 -3.417 10.421 1.00 0.51 C ATOM 641 CG ASP A 37 15.591 -2.658 11.732 1.00 1.04 C ATOM 642 OD1 ASP A 37 15.152 -1.490 11.765 1.00 1.71 O ATOM 643 OD2 ASP A 37 16.085 -3.233 12.725 1.00 0.98 O ATOM 0 H ASP A 37 15.764 -1.402 8.962 1.00 0.45 H new ATOM 0 HA ASP A 37 17.642 -3.260 10.131 1.00 0.51 H new ATOM 0 HB2 ASP A 37 14.616 -3.125 9.886 1.00 0.51 H new ATOM 0 HB3 ASP A 37 15.437 -4.484 10.627 1.00 0.51 H new ATOM 648 N GLY A 38 16.339 -3.812 7.226 1.00 0.43 N ATOM 649 CA GLY A 38 16.344 -4.716 6.095 1.00 0.46 C ATOM 650 C GLY A 38 15.304 -5.808 6.227 1.00 0.42 C ATOM 651 O GLY A 38 15.405 -6.854 5.586 1.00 0.46 O ATOM 0 H GLY A 38 15.972 -2.881 7.028 1.00 0.43 H new ATOM 0 HA2 GLY A 38 16.161 -4.151 5.181 1.00 0.46 H new ATOM 0 HA3 GLY A 38 17.331 -5.168 5.998 1.00 0.46 H new ATOM 655 N THR A 39 14.298 -5.562 7.059 1.00 0.35 N ATOM 656 CA THR A 39 13.235 -6.532 7.279 1.00 0.33 C ATOM 657 C THR A 39 11.881 -5.996 6.818 1.00 0.30 C ATOM 658 O THR A 39 10.838 -6.554 7.159 1.00 0.41 O ATOM 659 CB THR A 39 13.137 -6.926 8.765 1.00 0.35 C ATOM 660 OG1 THR A 39 12.046 -7.833 8.962 1.00 0.65 O ATOM 661 CG2 THR A 39 12.944 -5.696 9.639 1.00 0.64 C ATOM 0 H THR A 39 14.198 -4.698 7.592 1.00 0.35 H new ATOM 0 HA THR A 39 13.489 -7.412 6.688 1.00 0.33 H new ATOM 0 HB THR A 39 14.069 -7.413 9.050 1.00 0.35 H new ATOM 0 HG1 THR A 39 11.219 -7.428 8.625 1.00 0.65 H new ATOM 0 HG21 THR A 39 12.877 -5.999 10.684 1.00 0.64 H new ATOM 0 HG22 THR A 39 13.790 -5.021 9.510 1.00 0.64 H new ATOM 0 HG23 THR A 39 12.026 -5.185 9.350 1.00 0.64 H new ATOM 669 N GLY A 40 11.899 -4.915 6.041 1.00 0.22 N ATOM 670 CA GLY A 40 10.662 -4.336 5.557 1.00 0.21 C ATOM 671 C GLY A 40 10.319 -3.039 6.259 1.00 0.20 C ATOM 672 O GLY A 40 10.701 -2.826 7.411 1.00 0.32 O ATOM 0 H GLY A 40 12.746 -4.433 5.740 1.00 0.22 H new ATOM 0 HA2 GLY A 40 10.743 -4.155 4.485 1.00 0.21 H new ATOM 0 HA3 GLY A 40 9.850 -5.049 5.699 1.00 0.21 H new ATOM 676 N LEU A 41 9.599 -2.169 5.563 1.00 0.12 N ATOM 677 CA LEU A 41 9.205 -0.887 6.123 1.00 0.10 C ATOM 678 C LEU A 41 8.161 -1.060 7.213 1.00 0.10 C ATOM 679 O LEU A 41 7.151 -1.737 7.022 1.00 0.14 O ATOM 680 CB LEU A 41 8.648 0.024 5.032 1.00 0.10 C ATOM 681 CG LEU A 41 9.680 0.561 4.047 1.00 0.11 C ATOM 682 CD1 LEU A 41 10.687 1.440 4.766 1.00 0.12 C ATOM 683 CD2 LEU A 41 10.375 -0.583 3.334 1.00 0.14 C ATOM 0 H LEU A 41 9.277 -2.330 4.609 1.00 0.12 H new ATOM 0 HA LEU A 41 10.095 -0.432 6.559 1.00 0.10 H new ATOM 0 HB2 LEU A 41 7.889 -0.525 4.475 1.00 0.10 H new ATOM 0 HB3 LEU A 41 8.148 0.868 5.506 1.00 0.10 H new ATOM 0 HG LEU A 41 9.169 1.168 3.300 1.00 0.11 H new ATOM 0 HD11 LEU A 41 11.418 1.816 4.050 1.00 0.12 H new ATOM 0 HD12 LEU A 41 10.170 2.279 5.232 1.00 0.12 H new ATOM 0 HD13 LEU A 41 11.197 0.857 5.533 1.00 0.12 H new ATOM 0 HD21 LEU A 41 11.109 -0.183 2.634 1.00 0.14 H new ATOM 0 HD22 LEU A 41 10.878 -1.216 4.065 1.00 0.14 H new ATOM 0 HD23 LEU A 41 9.638 -1.173 2.789 1.00 0.14 H new ATOM 695 N GLY A 42 8.412 -0.442 8.358 1.00 0.09 N ATOM 696 CA GLY A 42 7.473 -0.519 9.454 1.00 0.11 C ATOM 697 C GLY A 42 6.297 0.399 9.217 1.00 0.10 C ATOM 698 O GLY A 42 6.321 1.205 8.292 1.00 0.11 O ATOM 0 H GLY A 42 9.249 0.110 8.546 1.00 0.09 H new ATOM 0 HA2 GLY A 42 7.122 -1.545 9.567 1.00 0.11 H new ATOM 0 HA3 GLY A 42 7.970 -0.247 10.385 1.00 0.11 H new ATOM 702 N LEU A 43 5.267 0.289 10.036 1.00 0.12 N ATOM 703 CA LEU A 43 4.098 1.135 9.871 1.00 0.12 C ATOM 704 C LEU A 43 4.490 2.604 9.945 1.00 0.11 C ATOM 705 O LEU A 43 4.149 3.395 9.067 1.00 0.12 O ATOM 706 CB LEU A 43 3.043 0.809 10.934 1.00 0.14 C ATOM 707 CG LEU A 43 1.714 1.566 10.804 1.00 0.14 C ATOM 708 CD1 LEU A 43 1.791 2.904 11.516 1.00 0.14 C ATOM 709 CD2 LEU A 43 1.344 1.762 9.340 1.00 0.14 C ATOM 0 H LEU A 43 5.215 -0.369 10.813 1.00 0.12 H new ATOM 0 HA LEU A 43 3.668 0.940 8.888 1.00 0.12 H new ATOM 0 HB2 LEU A 43 2.836 -0.261 10.899 1.00 0.14 H new ATOM 0 HB3 LEU A 43 3.466 1.020 11.916 1.00 0.14 H new ATOM 0 HG LEU A 43 0.935 0.968 11.276 1.00 0.14 H new ATOM 0 HD11 LEU A 43 0.840 3.426 11.413 1.00 0.14 H new ATOM 0 HD12 LEU A 43 2.003 2.742 12.573 1.00 0.14 H new ATOM 0 HD13 LEU A 43 2.585 3.506 11.074 1.00 0.14 H new ATOM 0 HD21 LEU A 43 0.399 2.301 9.273 1.00 0.14 H new ATOM 0 HD22 LEU A 43 2.125 2.336 8.841 1.00 0.14 H new ATOM 0 HD23 LEU A 43 1.243 0.790 8.857 1.00 0.14 H new ATOM 721 N THR A 44 5.212 2.960 10.998 1.00 0.11 N ATOM 722 CA THR A 44 5.656 4.334 11.193 1.00 0.12 C ATOM 723 C THR A 44 6.750 4.709 10.200 1.00 0.12 C ATOM 724 O THR A 44 6.766 5.818 9.670 1.00 0.16 O ATOM 725 CB THR A 44 6.174 4.557 12.624 1.00 0.15 C ATOM 726 OG1 THR A 44 5.148 4.243 13.572 1.00 0.18 O ATOM 727 CG2 THR A 44 6.624 5.997 12.817 1.00 0.18 C ATOM 0 H THR A 44 5.504 2.315 11.732 1.00 0.11 H new ATOM 0 HA THR A 44 4.789 4.973 11.025 1.00 0.12 H new ATOM 0 HB THR A 44 7.029 3.900 12.783 1.00 0.15 H new ATOM 0 HG1 THR A 44 5.487 4.386 14.480 1.00 0.18 H new ATOM 0 HG21 THR A 44 6.986 6.131 13.836 1.00 0.18 H new ATOM 0 HG22 THR A 44 7.425 6.225 12.114 1.00 0.18 H new ATOM 0 HG23 THR A 44 5.783 6.668 12.639 1.00 0.18 H new ATOM 735 N SER A 45 7.660 3.776 9.945 1.00 0.11 N ATOM 736 CA SER A 45 8.762 4.020 9.024 1.00 0.13 C ATOM 737 C SER A 45 8.242 4.122 7.600 1.00 0.13 C ATOM 738 O SER A 45 8.757 4.890 6.789 1.00 0.19 O ATOM 739 CB SER A 45 9.803 2.905 9.125 1.00 0.17 C ATOM 740 OG SER A 45 10.226 2.723 10.466 1.00 0.31 O ATOM 0 H SER A 45 7.656 2.845 10.363 1.00 0.11 H new ATOM 0 HA SER A 45 9.237 4.963 9.296 1.00 0.13 H new ATOM 0 HB2 SER A 45 9.382 1.975 8.743 1.00 0.17 H new ATOM 0 HB3 SER A 45 10.662 3.147 8.499 1.00 0.17 H new ATOM 0 HG SER A 45 10.890 2.004 10.505 1.00 0.31 H new ATOM 746 N TRP A 46 7.213 3.339 7.309 1.00 0.10 N ATOM 747 CA TRP A 46 6.602 3.340 5.994 1.00 0.09 C ATOM 748 C TRP A 46 5.859 4.646 5.766 1.00 0.08 C ATOM 749 O TRP A 46 5.983 5.274 4.717 1.00 0.10 O ATOM 750 CB TRP A 46 5.643 2.162 5.863 1.00 0.09 C ATOM 751 CG TRP A 46 5.103 2.001 4.483 1.00 0.09 C ATOM 752 CD1 TRP A 46 5.453 1.043 3.581 1.00 0.11 C ATOM 753 CD2 TRP A 46 4.127 2.825 3.839 1.00 0.08 C ATOM 754 NE1 TRP A 46 4.753 1.219 2.418 1.00 0.12 N ATOM 755 CE2 TRP A 46 3.934 2.304 2.549 1.00 0.10 C ATOM 756 CE3 TRP A 46 3.396 3.952 4.226 1.00 0.08 C ATOM 757 CZ2 TRP A 46 3.043 2.864 1.642 1.00 0.10 C ATOM 758 CZ3 TRP A 46 2.510 4.511 3.323 1.00 0.08 C ATOM 759 CH2 TRP A 46 2.340 3.966 2.045 1.00 0.09 C ATOM 0 H TRP A 46 6.784 2.693 7.972 1.00 0.10 H new ATOM 0 HA TRP A 46 7.384 3.243 5.241 1.00 0.09 H new ATOM 0 HB2 TRP A 46 6.158 1.247 6.155 1.00 0.09 H new ATOM 0 HB3 TRP A 46 4.814 2.296 6.558 1.00 0.09 H new ATOM 0 HD1 TRP A 46 6.176 0.260 3.757 1.00 0.11 H new ATOM 0 HE1 TRP A 46 4.831 0.633 1.586 1.00 0.12 H new ATOM 0 HE3 TRP A 46 3.521 4.378 5.211 1.00 0.08 H new ATOM 0 HZ2 TRP A 46 2.910 2.445 0.656 1.00 0.10 H new ATOM 0 HZ3 TRP A 46 1.940 5.383 3.609 1.00 0.08 H new ATOM 0 HH2 TRP A 46 1.639 4.425 1.363 1.00 0.09 H new ATOM 770 N LEU A 47 5.080 5.045 6.764 1.00 0.08 N ATOM 771 CA LEU A 47 4.321 6.281 6.691 1.00 0.08 C ATOM 772 C LEU A 47 5.264 7.456 6.490 1.00 0.08 C ATOM 773 O LEU A 47 5.038 8.312 5.636 1.00 0.11 O ATOM 774 CB LEU A 47 3.505 6.474 7.970 1.00 0.09 C ATOM 775 CG LEU A 47 2.314 5.530 8.131 1.00 0.15 C ATOM 776 CD1 LEU A 47 1.758 5.617 9.543 1.00 0.60 C ATOM 777 CD2 LEU A 47 1.233 5.855 7.112 1.00 0.62 C ATOM 0 H LEU A 47 4.959 4.527 7.634 1.00 0.08 H new ATOM 0 HA LEU A 47 3.637 6.227 5.844 1.00 0.08 H new ATOM 0 HB2 LEU A 47 4.167 6.347 8.827 1.00 0.09 H new ATOM 0 HB3 LEU A 47 3.141 7.501 7.998 1.00 0.09 H new ATOM 0 HG LEU A 47 2.655 4.510 7.955 1.00 0.15 H new ATOM 0 HD11 LEU A 47 0.910 4.939 9.643 1.00 0.60 H new ATOM 0 HD12 LEU A 47 2.533 5.337 10.257 1.00 0.60 H new ATOM 0 HD13 LEU A 47 1.432 6.638 9.743 1.00 0.60 H new ATOM 0 HD21 LEU A 47 0.393 5.172 7.242 1.00 0.62 H new ATOM 0 HD22 LEU A 47 0.893 6.880 7.257 1.00 0.62 H new ATOM 0 HD23 LEU A 47 1.637 5.745 6.106 1.00 0.62 H new ATOM 789 N LEU A 48 6.326 7.481 7.283 1.00 0.08 N ATOM 790 CA LEU A 48 7.325 8.534 7.198 1.00 0.10 C ATOM 791 C LEU A 48 8.085 8.437 5.881 1.00 0.10 C ATOM 792 O LEU A 48 8.625 9.428 5.388 1.00 0.11 O ATOM 793 CB LEU A 48 8.292 8.428 8.376 1.00 0.12 C ATOM 794 CG LEU A 48 7.652 8.607 9.749 1.00 0.13 C ATOM 795 CD1 LEU A 48 8.611 8.169 10.846 1.00 0.17 C ATOM 796 CD2 LEU A 48 7.231 10.052 9.948 1.00 0.17 C ATOM 0 H LEU A 48 6.518 6.778 7.997 1.00 0.08 H new ATOM 0 HA LEU A 48 6.823 9.501 7.237 1.00 0.10 H new ATOM 0 HB2 LEU A 48 8.778 7.453 8.342 1.00 0.12 H new ATOM 0 HB3 LEU A 48 9.073 9.178 8.255 1.00 0.12 H new ATOM 0 HG LEU A 48 6.763 7.978 9.804 1.00 0.13 H new ATOM 0 HD11 LEU A 48 8.137 8.304 11.818 1.00 0.17 H new ATOM 0 HD12 LEU A 48 8.865 7.118 10.709 1.00 0.17 H new ATOM 0 HD13 LEU A 48 9.518 8.771 10.798 1.00 0.17 H new ATOM 0 HD21 LEU A 48 6.776 10.166 10.932 1.00 0.17 H new ATOM 0 HD22 LEU A 48 8.105 10.699 9.875 1.00 0.17 H new ATOM 0 HD23 LEU A 48 6.509 10.330 9.180 1.00 0.17 H new ATOM 808 N ALA A 49 8.124 7.233 5.319 1.00 0.10 N ATOM 809 CA ALA A 49 8.807 6.999 4.057 1.00 0.11 C ATOM 810 C ALA A 49 8.089 7.722 2.927 1.00 0.11 C ATOM 811 O ALA A 49 8.716 8.246 2.007 1.00 0.15 O ATOM 812 CB ALA A 49 8.890 5.510 3.771 1.00 0.11 C ATOM 0 H ALA A 49 7.688 6.403 5.721 1.00 0.10 H new ATOM 0 HA ALA A 49 9.821 7.393 4.129 1.00 0.11 H new ATOM 0 HB1 ALA A 49 9.404 5.350 2.823 1.00 0.11 H new ATOM 0 HB2 ALA A 49 9.442 5.016 4.571 1.00 0.11 H new ATOM 0 HB3 ALA A 49 7.884 5.094 3.713 1.00 0.11 H new ATOM 818 N ALA A 50 6.763 7.744 3.010 1.00 0.08 N ATOM 819 CA ALA A 50 5.945 8.410 2.010 1.00 0.08 C ATOM 820 C ALA A 50 6.042 9.917 2.173 1.00 0.10 C ATOM 821 O ALA A 50 6.106 10.660 1.194 1.00 0.13 O ATOM 822 CB ALA A 50 4.501 7.957 2.127 1.00 0.10 C ATOM 0 H ALA A 50 6.233 7.306 3.763 1.00 0.08 H new ATOM 0 HA ALA A 50 6.314 8.143 1.020 1.00 0.08 H new ATOM 0 HB1 ALA A 50 3.899 8.463 1.373 1.00 0.10 H new ATOM 0 HB2 ALA A 50 4.444 6.879 1.974 1.00 0.10 H new ATOM 0 HB3 ALA A 50 4.122 8.203 3.119 1.00 0.10 H new ATOM 828 N LYS A 51 6.055 10.359 3.424 1.00 0.09 N ATOM 829 CA LYS A 51 6.155 11.776 3.728 1.00 0.11 C ATOM 830 C LYS A 51 7.491 12.317 3.243 1.00 0.13 C ATOM 831 O LYS A 51 7.577 13.442 2.750 1.00 0.15 O ATOM 832 CB LYS A 51 6.008 12.010 5.230 1.00 0.14 C ATOM 833 CG LYS A 51 4.693 11.503 5.795 1.00 0.14 C ATOM 834 CD LYS A 51 4.607 11.735 7.295 1.00 0.21 C ATOM 835 CE LYS A 51 3.337 11.138 7.881 1.00 0.61 C ATOM 836 NZ LYS A 51 2.113 11.688 7.235 1.00 1.40 N ATOM 0 H LYS A 51 5.997 9.754 4.243 1.00 0.09 H new ATOM 0 HA LYS A 51 5.350 12.302 3.214 1.00 0.11 H new ATOM 0 HB2 LYS A 51 6.831 11.518 5.749 1.00 0.14 H new ATOM 0 HB3 LYS A 51 6.095 13.077 5.434 1.00 0.14 H new ATOM 0 HG2 LYS A 51 3.864 12.008 5.299 1.00 0.14 H new ATOM 0 HG3 LYS A 51 4.591 10.439 5.584 1.00 0.14 H new ATOM 0 HD2 LYS A 51 5.476 11.293 7.783 1.00 0.21 H new ATOM 0 HD3 LYS A 51 4.635 12.805 7.501 1.00 0.21 H new ATOM 0 HE2 LYS A 51 3.356 10.055 7.759 1.00 0.61 H new ATOM 0 HE3 LYS A 51 3.303 11.338 8.952 1.00 0.61 H new ATOM 0 HZ1 LYS A 51 1.426 11.959 7.967 1.00 1.40 H new ATOM 0 HZ2 LYS A 51 2.364 12.524 6.670 1.00 1.40 H new ATOM 0 HZ3 LYS A 51 1.693 10.966 6.616 1.00 1.40 H new ATOM 850 N SER A 52 8.534 11.507 3.389 1.00 0.12 N ATOM 851 CA SER A 52 9.866 11.900 2.948 1.00 0.15 C ATOM 852 C SER A 52 9.857 12.177 1.450 1.00 0.14 C ATOM 853 O SER A 52 10.671 12.949 0.943 1.00 0.16 O ATOM 854 CB SER A 52 10.891 10.813 3.276 1.00 0.17 C ATOM 855 OG SER A 52 12.179 11.166 2.802 1.00 1.23 O ATOM 0 H SER A 52 8.483 10.578 3.808 1.00 0.12 H new ATOM 0 HA SER A 52 10.150 12.809 3.479 1.00 0.15 H new ATOM 0 HB2 SER A 52 10.927 10.657 4.354 1.00 0.17 H new ATOM 0 HB3 SER A 52 10.581 9.869 2.827 1.00 0.17 H new ATOM 0 HG SER A 52 12.816 10.456 3.026 1.00 1.23 H new ATOM 861 N LEU A 53 8.923 11.537 0.748 1.00 0.12 N ATOM 862 CA LEU A 53 8.780 11.721 -0.690 1.00 0.12 C ATOM 863 C LEU A 53 7.846 12.887 -0.997 1.00 0.12 C ATOM 864 O LEU A 53 7.411 13.056 -2.134 1.00 0.15 O ATOM 865 CB LEU A 53 8.210 10.455 -1.328 1.00 0.13 C ATOM 866 CG LEU A 53 9.031 9.188 -1.111 1.00 0.12 C ATOM 867 CD1 LEU A 53 8.311 7.991 -1.708 1.00 0.13 C ATOM 868 CD2 LEU A 53 10.415 9.342 -1.721 1.00 0.14 C ATOM 0 H LEU A 53 8.253 10.885 1.156 1.00 0.12 H new ATOM 0 HA LEU A 53 9.768 11.933 -1.100 1.00 0.12 H new ATOM 0 HB2 LEU A 53 7.207 10.290 -0.934 1.00 0.13 H new ATOM 0 HB3 LEU A 53 8.108 10.623 -2.400 1.00 0.13 H new ATOM 0 HG LEU A 53 9.148 9.023 -0.040 1.00 0.12 H new ATOM 0 HD11 LEU A 53 8.906 7.092 -1.548 1.00 0.13 H new ATOM 0 HD12 LEU A 53 7.339 7.874 -1.228 1.00 0.13 H new ATOM 0 HD13 LEU A 53 8.171 8.147 -2.778 1.00 0.13 H new ATOM 0 HD21 LEU A 53 10.988 8.429 -1.558 1.00 0.14 H new ATOM 0 HD22 LEU A 53 10.322 9.526 -2.791 1.00 0.14 H new ATOM 0 HD23 LEU A 53 10.928 10.182 -1.252 1.00 0.14 H new ATOM 880 N GLU A 54 7.543 13.695 0.014 1.00 0.12 N ATOM 881 CA GLU A 54 6.636 14.814 -0.162 1.00 0.13 C ATOM 882 C GLU A 54 5.227 14.306 -0.465 1.00 0.11 C ATOM 883 O GLU A 54 4.382 15.046 -0.966 1.00 0.13 O ATOM 884 CB GLU A 54 7.127 15.725 -1.284 1.00 0.17 C ATOM 885 CG GLU A 54 8.568 16.170 -1.107 1.00 0.23 C ATOM 886 CD GLU A 54 9.042 17.086 -2.218 1.00 0.63 C ATOM 887 OE1 GLU A 54 8.822 18.311 -2.110 1.00 0.59 O ATOM 888 OE2 GLU A 54 9.630 16.579 -3.195 1.00 1.14 O ATOM 0 H GLU A 54 7.913 13.593 0.959 1.00 0.12 H new ATOM 0 HA GLU A 54 6.608 15.391 0.762 1.00 0.13 H new ATOM 0 HB2 GLU A 54 7.029 15.203 -2.236 1.00 0.17 H new ATOM 0 HB3 GLU A 54 6.486 16.605 -1.336 1.00 0.17 H new ATOM 0 HG2 GLU A 54 8.670 16.684 -0.151 1.00 0.23 H new ATOM 0 HG3 GLU A 54 9.212 15.292 -1.067 1.00 0.23 H new ATOM 895 N LEU A 55 4.987 13.031 -0.151 1.00 0.11 N ATOM 896 CA LEU A 55 3.695 12.408 -0.377 1.00 0.13 C ATOM 897 C LEU A 55 2.930 12.301 0.936 1.00 0.17 C ATOM 898 O LEU A 55 3.461 11.821 1.937 1.00 0.33 O ATOM 899 CB LEU A 55 3.892 11.021 -0.991 1.00 0.20 C ATOM 900 CG LEU A 55 2.638 10.153 -1.067 1.00 0.38 C ATOM 901 CD1 LEU A 55 1.692 10.666 -2.142 1.00 0.69 C ATOM 902 CD2 LEU A 55 3.017 8.702 -1.329 1.00 0.72 C ATOM 0 H LEU A 55 5.682 12.411 0.264 1.00 0.11 H new ATOM 0 HA LEU A 55 3.116 13.022 -1.067 1.00 0.13 H new ATOM 0 HB2 LEU A 55 4.291 11.142 -1.998 1.00 0.20 H new ATOM 0 HB3 LEU A 55 4.646 10.489 -0.411 1.00 0.20 H new ATOM 0 HG LEU A 55 2.120 10.208 -0.109 1.00 0.38 H new ATOM 0 HD11 LEU A 55 0.805 10.033 -2.179 1.00 0.69 H new ATOM 0 HD12 LEU A 55 1.398 11.689 -1.909 1.00 0.69 H new ATOM 0 HD13 LEU A 55 2.194 10.644 -3.109 1.00 0.69 H new ATOM 0 HD21 LEU A 55 2.114 8.094 -1.381 1.00 0.72 H new ATOM 0 HD22 LEU A 55 3.557 8.632 -2.273 1.00 0.72 H new ATOM 0 HD23 LEU A 55 3.652 8.340 -0.520 1.00 0.72 H new ATOM 914 N LYS A 56 1.683 12.750 0.927 1.00 0.15 N ATOM 915 CA LYS A 56 0.856 12.720 2.123 1.00 0.16 C ATOM 916 C LYS A 56 0.349 11.312 2.405 1.00 0.16 C ATOM 917 O LYS A 56 -0.200 10.647 1.528 1.00 0.20 O ATOM 918 CB LYS A 56 -0.324 13.682 1.980 1.00 0.18 C ATOM 919 CG LYS A 56 -1.141 13.830 3.254 1.00 0.61 C ATOM 920 CD LYS A 56 -2.307 14.788 3.063 1.00 0.62 C ATOM 921 CE LYS A 56 -1.827 16.196 2.753 1.00 1.18 C ATOM 922 NZ LYS A 56 -2.963 17.143 2.576 1.00 1.86 N ATOM 0 H LYS A 56 1.222 13.139 0.104 1.00 0.15 H new ATOM 0 HA LYS A 56 1.473 13.036 2.964 1.00 0.16 H new ATOM 0 HB2 LYS A 56 0.050 14.661 1.681 1.00 0.18 H new ATOM 0 HB3 LYS A 56 -0.974 13.331 1.179 1.00 0.18 H new ATOM 0 HG2 LYS A 56 -1.518 12.854 3.561 1.00 0.61 H new ATOM 0 HG3 LYS A 56 -0.500 14.192 4.058 1.00 0.61 H new ATOM 0 HD2 LYS A 56 -2.942 14.432 2.252 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -2.919 14.802 3.965 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -1.184 16.547 3.561 1.00 1.18 H new ATOM 0 HE3 LYS A 56 -1.221 16.182 1.847 1.00 1.18 H new ATOM 0 HZ1 LYS A 56 -2.594 18.092 2.366 1.00 1.86 H new ATOM 0 HZ2 LYS A 56 -3.563 16.823 1.789 1.00 1.86 H new ATOM 0 HZ3 LYS A 56 -3.527 17.176 3.449 1.00 1.86 H new ATOM 936 N VAL A 57 0.547 10.863 3.635 1.00 0.14 N ATOM 937 CA VAL A 57 0.106 9.539 4.051 1.00 0.14 C ATOM 938 C VAL A 57 -0.296 9.546 5.518 1.00 0.15 C ATOM 939 O VAL A 57 0.155 10.395 6.288 1.00 0.15 O ATOM 940 CB VAL A 57 1.204 8.482 3.832 1.00 0.12 C ATOM 941 CG1 VAL A 57 1.636 8.461 2.376 1.00 0.12 C ATOM 942 CG2 VAL A 57 2.393 8.742 4.745 1.00 0.13 C ATOM 0 H VAL A 57 1.013 11.399 4.367 1.00 0.14 H new ATOM 0 HA VAL A 57 -0.755 9.278 3.436 1.00 0.14 H new ATOM 0 HB VAL A 57 0.795 7.503 4.083 1.00 0.12 H new ATOM 0 HG11 VAL A 57 2.413 7.709 2.238 1.00 0.12 H new ATOM 0 HG12 VAL A 57 0.780 8.219 1.746 1.00 0.12 H new ATOM 0 HG13 VAL A 57 2.026 9.440 2.098 1.00 0.12 H new ATOM 0 HG21 VAL A 57 3.156 7.983 4.573 1.00 0.13 H new ATOM 0 HG22 VAL A 57 2.807 9.728 4.532 1.00 0.13 H new ATOM 0 HG23 VAL A 57 2.069 8.702 5.785 1.00 0.13 H new ATOM 952 N LYS A 58 -1.145 8.602 5.906 1.00 0.17 N ATOM 953 CA LYS A 58 -1.593 8.525 7.288 1.00 0.20 C ATOM 954 C LYS A 58 -2.325 7.221 7.571 1.00 0.16 C ATOM 955 O LYS A 58 -3.266 6.855 6.866 1.00 0.18 O ATOM 956 CB LYS A 58 -2.505 9.705 7.615 1.00 0.26 C ATOM 957 CG LYS A 58 -3.086 9.648 9.018 1.00 0.63 C ATOM 958 CD LYS A 58 -3.938 10.869 9.318 1.00 1.21 C ATOM 959 CE LYS A 58 -4.501 10.823 10.729 1.00 1.69 C ATOM 960 NZ LYS A 58 -5.328 12.023 11.038 1.00 2.33 N ATOM 0 H LYS A 58 -1.533 7.887 5.290 1.00 0.17 H new ATOM 0 HA LYS A 58 -0.706 8.561 7.921 1.00 0.20 H new ATOM 0 HB2 LYS A 58 -1.943 10.632 7.500 1.00 0.26 H new ATOM 0 HB3 LYS A 58 -3.321 9.735 6.893 1.00 0.26 H new ATOM 0 HG2 LYS A 58 -3.689 8.747 9.127 1.00 0.63 H new ATOM 0 HG3 LYS A 58 -2.277 9.580 9.745 1.00 0.63 H new ATOM 0 HD2 LYS A 58 -3.339 11.771 9.193 1.00 1.21 H new ATOM 0 HD3 LYS A 58 -4.756 10.928 8.600 1.00 1.21 H new ATOM 0 HE2 LYS A 58 -5.106 9.925 10.849 1.00 1.69 H new ATOM 0 HE3 LYS A 58 -3.682 10.753 11.444 1.00 1.69 H new ATOM 0 HZ1 LYS A 58 -5.693 11.952 12.009 1.00 2.33 H new ATOM 0 HZ2 LYS A 58 -4.744 12.879 10.949 1.00 2.33 H new ATOM 0 HZ3 LYS A 58 -6.125 12.076 10.372 1.00 2.33 H new ATOM 974 N GLN A 59 -1.884 6.529 8.612 1.00 0.15 N ATOM 975 CA GLN A 59 -2.499 5.277 9.016 1.00 0.13 C ATOM 976 C GLN A 59 -3.603 5.546 10.028 1.00 0.13 C ATOM 977 O GLN A 59 -3.387 6.234 11.026 1.00 0.16 O ATOM 978 CB GLN A 59 -1.453 4.343 9.619 1.00 0.16 C ATOM 979 CG GLN A 59 -2.021 3.006 10.066 1.00 0.20 C ATOM 980 CD GLN A 59 -1.959 2.799 11.569 1.00 0.44 C ATOM 981 OE1 GLN A 59 -1.773 1.678 12.042 1.00 1.13 O ATOM 982 NE2 GLN A 59 -2.126 3.873 12.332 1.00 0.36 N ATOM 0 H GLN A 59 -1.098 6.818 9.194 1.00 0.15 H new ATOM 0 HA GLN A 59 -2.930 4.797 8.137 1.00 0.13 H new ATOM 0 HB2 GLN A 59 -0.667 4.168 8.884 1.00 0.16 H new ATOM 0 HB3 GLN A 59 -0.987 4.835 10.473 1.00 0.16 H new ATOM 0 HG2 GLN A 59 -3.058 2.932 9.739 1.00 0.20 H new ATOM 0 HG3 GLN A 59 -1.473 2.203 9.573 1.00 0.20 H new ATOM 0 HE21 GLN A 59 -2.278 4.785 11.902 1.00 0.36 H new ATOM 0 HE22 GLN A 59 -2.102 3.785 13.348 1.00 0.36 H new ATOM 991 N VAL A 60 -4.781 5.003 9.770 1.00 0.13 N ATOM 992 CA VAL A 60 -5.915 5.207 10.659 1.00 0.16 C ATOM 993 C VAL A 60 -6.768 3.952 10.771 1.00 0.15 C ATOM 994 O VAL A 60 -6.825 3.142 9.846 1.00 0.18 O ATOM 995 CB VAL A 60 -6.797 6.370 10.171 1.00 0.20 C ATOM 996 CG1 VAL A 60 -7.287 6.107 8.755 1.00 0.22 C ATOM 997 CG2 VAL A 60 -7.967 6.592 11.117 1.00 0.23 C ATOM 0 H VAL A 60 -4.978 4.420 8.956 1.00 0.13 H new ATOM 0 HA VAL A 60 -5.508 5.448 11.641 1.00 0.16 H new ATOM 0 HB VAL A 60 -6.195 7.279 10.161 1.00 0.20 H new ATOM 0 HG11 VAL A 60 -7.909 6.939 8.425 1.00 0.22 H new ATOM 0 HG12 VAL A 60 -6.432 6.006 8.087 1.00 0.22 H new ATOM 0 HG13 VAL A 60 -7.872 5.187 8.737 1.00 0.22 H new ATOM 0 HG21 VAL A 60 -8.577 7.419 10.753 1.00 0.23 H new ATOM 0 HG22 VAL A 60 -8.573 5.687 11.165 1.00 0.23 H new ATOM 0 HG23 VAL A 60 -7.590 6.830 12.112 1.00 0.23 H new ATOM 1007 N LYS A 61 -7.431 3.802 11.910 1.00 0.19 N ATOM 1008 CA LYS A 61 -8.289 2.653 12.146 1.00 0.20 C ATOM 1009 C LYS A 61 -9.687 2.923 11.613 1.00 0.21 C ATOM 1010 O LYS A 61 -10.441 3.706 12.190 1.00 0.23 O ATOM 1011 CB LYS A 61 -8.357 2.337 13.638 1.00 0.23 C ATOM 1012 CG LYS A 61 -9.095 1.047 13.951 1.00 0.28 C ATOM 1013 CD LYS A 61 -9.518 0.985 15.411 1.00 0.37 C ATOM 1014 CE LYS A 61 -8.346 1.234 16.346 1.00 1.05 C ATOM 1015 NZ LYS A 61 -8.772 1.265 17.773 1.00 2.03 N ATOM 0 H LYS A 61 -7.390 4.464 12.685 1.00 0.19 H new ATOM 0 HA LYS A 61 -7.868 1.795 11.622 1.00 0.20 H new ATOM 0 HB2 LYS A 61 -7.344 2.272 14.034 1.00 0.23 H new ATOM 0 HB3 LYS A 61 -8.848 3.162 14.154 1.00 0.23 H new ATOM 0 HG2 LYS A 61 -9.975 0.966 13.313 1.00 0.28 H new ATOM 0 HG3 LYS A 61 -8.455 0.196 13.720 1.00 0.28 H new ATOM 0 HD2 LYS A 61 -10.296 1.726 15.597 1.00 0.37 H new ATOM 0 HD3 LYS A 61 -9.952 0.008 15.623 1.00 0.37 H new ATOM 0 HE2 LYS A 61 -7.598 0.453 16.207 1.00 1.05 H new ATOM 0 HE3 LYS A 61 -7.870 2.180 16.088 1.00 1.05 H new ATOM 0 HZ1 LYS A 61 -7.944 1.437 18.379 1.00 2.03 H new ATOM 0 HZ2 LYS A 61 -9.467 2.026 17.911 1.00 2.03 H new ATOM 0 HZ3 LYS A 61 -9.203 0.353 18.027 1.00 2.03 H new ATOM 1029 N LYS A 62 -10.027 2.271 10.513 1.00 0.20 N ATOM 1030 CA LYS A 62 -11.333 2.449 9.901 1.00 0.22 C ATOM 1031 C LYS A 62 -12.005 1.106 9.663 1.00 0.23 C ATOM 1032 O LYS A 62 -11.347 0.067 9.626 1.00 0.38 O ATOM 1033 CB LYS A 62 -11.194 3.198 8.575 1.00 0.23 C ATOM 1034 CG LYS A 62 -10.283 4.411 8.660 1.00 0.30 C ATOM 1035 CD LYS A 62 -10.851 5.469 9.594 1.00 0.50 C ATOM 1036 CE LYS A 62 -12.132 6.073 9.039 1.00 0.75 C ATOM 1037 NZ LYS A 62 -12.699 7.105 9.950 1.00 1.04 N ATOM 0 H LYS A 62 -9.417 1.614 10.026 1.00 0.20 H new ATOM 0 HA LYS A 62 -11.952 3.032 10.582 1.00 0.22 H new ATOM 0 HB2 LYS A 62 -10.807 2.515 7.819 1.00 0.23 H new ATOM 0 HB3 LYS A 62 -12.181 3.517 8.241 1.00 0.23 H new ATOM 0 HG2 LYS A 62 -9.298 4.104 9.012 1.00 0.30 H new ATOM 0 HG3 LYS A 62 -10.148 4.836 7.666 1.00 0.30 H new ATOM 0 HD2 LYS A 62 -11.050 5.026 10.570 1.00 0.50 H new ATOM 0 HD3 LYS A 62 -10.112 6.256 9.746 1.00 0.50 H new ATOM 0 HE2 LYS A 62 -11.931 6.519 8.065 1.00 0.75 H new ATOM 0 HE3 LYS A 62 -12.867 5.284 8.882 1.00 0.75 H new ATOM 0 HZ1 LYS A 62 -13.571 7.492 9.536 1.00 1.04 H new ATOM 0 HZ2 LYS A 62 -12.915 6.674 10.871 1.00 1.04 H new ATOM 0 HZ3 LYS A 62 -12.008 7.871 10.080 1.00 1.04 H new ATOM 1051 N THR A 63 -13.321 1.131 9.516 1.00 0.17 N ATOM 1052 CA THR A 63 -14.077 -0.083 9.267 1.00 0.15 C ATOM 1053 C THR A 63 -14.255 -0.297 7.771 1.00 0.13 C ATOM 1054 O THR A 63 -14.267 0.659 6.997 1.00 0.15 O ATOM 1055 CB THR A 63 -15.458 -0.049 9.945 1.00 0.20 C ATOM 1056 OG1 THR A 63 -16.247 1.017 9.403 1.00 0.24 O ATOM 1057 CG2 THR A 63 -15.314 0.136 11.450 1.00 0.24 C ATOM 0 H THR A 63 -13.886 1.979 9.565 1.00 0.17 H new ATOM 0 HA THR A 63 -13.509 -0.909 9.694 1.00 0.15 H new ATOM 0 HB THR A 63 -15.956 -1.000 9.754 1.00 0.20 H new ATOM 0 HG1 THR A 63 -17.124 1.029 9.840 1.00 0.24 H new ATOM 0 HG21 THR A 63 -16.302 0.157 11.910 1.00 0.24 H new ATOM 0 HG22 THR A 63 -14.738 -0.691 11.865 1.00 0.24 H new ATOM 0 HG23 THR A 63 -14.799 1.075 11.654 1.00 0.24 H new ATOM 1065 N ILE A 64 -14.388 -1.551 7.368 1.00 0.12 N ATOM 1066 CA ILE A 64 -14.555 -1.885 5.962 1.00 0.13 C ATOM 1067 C ILE A 64 -15.613 -1.007 5.301 1.00 0.17 C ATOM 1068 O ILE A 64 -15.485 -0.625 4.137 1.00 0.21 O ATOM 1069 CB ILE A 64 -14.951 -3.361 5.794 1.00 0.15 C ATOM 1070 CG1 ILE A 64 -13.909 -4.266 6.447 1.00 0.16 C ATOM 1071 CG2 ILE A 64 -15.113 -3.705 4.326 1.00 0.20 C ATOM 1072 CD1 ILE A 64 -14.138 -5.735 6.181 1.00 0.20 C ATOM 0 H ILE A 64 -14.384 -2.355 7.995 1.00 0.12 H new ATOM 0 HA ILE A 64 -13.596 -1.707 5.476 1.00 0.13 H new ATOM 0 HB ILE A 64 -15.908 -3.522 6.289 1.00 0.15 H new ATOM 0 HG12 ILE A 64 -12.919 -3.989 6.084 1.00 0.16 H new ATOM 0 HG13 ILE A 64 -13.913 -4.094 7.523 1.00 0.16 H new ATOM 0 HG21 ILE A 64 -15.393 -4.754 4.227 1.00 0.20 H new ATOM 0 HG22 ILE A 64 -15.891 -3.079 3.889 1.00 0.20 H new ATOM 0 HG23 ILE A 64 -14.171 -3.530 3.805 1.00 0.20 H new ATOM 0 HD11 ILE A 64 -13.361 -6.319 6.674 1.00 0.20 H new ATOM 0 HD12 ILE A 64 -15.114 -6.027 6.569 1.00 0.20 H new ATOM 0 HD13 ILE A 64 -14.104 -5.920 5.107 1.00 0.20 H new ATOM 1084 N ASP A 65 -16.651 -0.682 6.059 1.00 0.21 N ATOM 1085 CA ASP A 65 -17.737 0.148 5.551 1.00 0.26 C ATOM 1086 C ASP A 65 -17.264 1.574 5.275 1.00 0.24 C ATOM 1087 O ASP A 65 -17.915 2.321 4.546 1.00 0.27 O ATOM 1088 CB ASP A 65 -18.896 0.165 6.547 1.00 0.33 C ATOM 1089 CG ASP A 65 -20.032 1.062 6.097 1.00 1.34 C ATOM 1090 OD1 ASP A 65 -20.007 2.265 6.431 1.00 2.08 O ATOM 1091 OD2 ASP A 65 -20.948 0.562 5.410 1.00 1.99 O ATOM 0 H ASP A 65 -16.765 -0.980 7.028 1.00 0.21 H new ATOM 0 HA ASP A 65 -18.077 -0.283 4.610 1.00 0.26 H new ATOM 0 HB2 ASP A 65 -19.270 -0.850 6.682 1.00 0.33 H new ATOM 0 HB3 ASP A 65 -18.533 0.503 7.517 1.00 0.33 H new ATOM 1096 N ARG A 66 -16.127 1.948 5.859 1.00 0.20 N ATOM 1097 CA ARG A 66 -15.579 3.286 5.669 1.00 0.20 C ATOM 1098 C ARG A 66 -14.714 3.351 4.416 1.00 0.15 C ATOM 1099 O ARG A 66 -14.593 4.401 3.789 1.00 0.14 O ATOM 1100 CB ARG A 66 -14.753 3.697 6.887 1.00 0.24 C ATOM 1101 CG ARG A 66 -15.575 3.866 8.154 1.00 0.71 C ATOM 1102 CD ARG A 66 -16.641 4.936 7.992 1.00 0.66 C ATOM 1103 NE ARG A 66 -17.400 5.140 9.222 1.00 1.54 N ATOM 1104 CZ ARG A 66 -18.274 6.125 9.392 1.00 1.70 C ATOM 1105 NH1 ARG A 66 -18.493 6.995 8.415 1.00 0.95 N ATOM 1106 NH2 ARG A 66 -18.929 6.242 10.539 1.00 2.72 N ATOM 0 H ARG A 66 -15.571 1.345 6.465 1.00 0.20 H new ATOM 0 HA ARG A 66 -16.414 3.977 5.549 1.00 0.20 H new ATOM 0 HB2 ARG A 66 -13.982 2.947 7.062 1.00 0.24 H new ATOM 0 HB3 ARG A 66 -14.242 4.634 6.669 1.00 0.24 H new ATOM 0 HG2 ARG A 66 -16.047 2.918 8.411 1.00 0.71 H new ATOM 0 HG3 ARG A 66 -14.917 4.130 8.982 1.00 0.71 H new ATOM 0 HD2 ARG A 66 -16.172 5.874 7.696 1.00 0.66 H new ATOM 0 HD3 ARG A 66 -17.321 4.652 7.189 1.00 0.66 H new ATOM 0 HE ARG A 66 -17.251 4.490 9.994 1.00 1.54 H new ATOM 0 HH11 ARG A 66 -17.990 6.908 7.532 1.00 0.95 H new ATOM 0 HH12 ARG A 66 -19.165 7.751 8.547 1.00 0.95 H new ATOM 0 HH21 ARG A 66 -18.762 5.575 11.292 1.00 2.72 H new ATOM 0 HH22 ARG A 66 -19.600 6.999 10.668 1.00 2.72 H new ATOM 1120 N LEU A 67 -14.118 2.219 4.056 1.00 0.13 N ATOM 1121 CA LEU A 67 -13.262 2.145 2.878 1.00 0.11 C ATOM 1122 C LEU A 67 -13.971 2.689 1.645 1.00 0.13 C ATOM 1123 O LEU A 67 -13.330 3.082 0.671 1.00 0.14 O ATOM 1124 CB LEU A 67 -12.821 0.701 2.643 1.00 0.11 C ATOM 1125 CG LEU A 67 -11.560 0.267 3.404 1.00 0.12 C ATOM 1126 CD1 LEU A 67 -11.499 0.899 4.790 1.00 0.12 C ATOM 1127 CD2 LEU A 67 -11.512 -1.246 3.514 1.00 0.15 C ATOM 0 H LEU A 67 -14.212 1.340 4.564 1.00 0.13 H new ATOM 0 HA LEU A 67 -12.382 2.763 3.057 1.00 0.11 H new ATOM 0 HB2 LEU A 67 -13.640 0.038 2.923 1.00 0.11 H new ATOM 0 HB3 LEU A 67 -12.648 0.561 1.576 1.00 0.11 H new ATOM 0 HG LEU A 67 -10.693 0.614 2.842 1.00 0.12 H new ATOM 0 HD11 LEU A 67 -10.594 0.570 5.300 1.00 0.12 H new ATOM 0 HD12 LEU A 67 -11.488 1.985 4.695 1.00 0.12 H new ATOM 0 HD13 LEU A 67 -12.372 0.595 5.367 1.00 0.12 H new ATOM 0 HD21 LEU A 67 -10.614 -1.543 4.055 1.00 0.15 H new ATOM 0 HD22 LEU A 67 -12.393 -1.600 4.050 1.00 0.15 H new ATOM 0 HD23 LEU A 67 -11.495 -1.683 2.516 1.00 0.15 H new ATOM 1139 N ASN A 68 -15.294 2.700 1.687 1.00 0.15 N ATOM 1140 CA ASN A 68 -16.078 3.212 0.577 1.00 0.19 C ATOM 1141 C ASN A 68 -15.991 4.737 0.503 1.00 0.19 C ATOM 1142 O ASN A 68 -16.347 5.336 -0.512 1.00 0.22 O ATOM 1143 CB ASN A 68 -17.539 2.788 0.728 1.00 0.25 C ATOM 1144 CG ASN A 68 -17.683 1.317 1.063 1.00 0.88 C ATOM 1145 OD1 ASN A 68 -17.697 0.933 2.233 1.00 1.69 O ATOM 1146 ND2 ASN A 68 -17.792 0.484 0.036 1.00 0.83 N ATOM 0 H ASN A 68 -15.845 2.361 2.476 1.00 0.15 H new ATOM 0 HA ASN A 68 -15.672 2.796 -0.345 1.00 0.19 H new ATOM 0 HB2 ASN A 68 -18.008 3.384 1.511 1.00 0.25 H new ATOM 0 HB3 ASN A 68 -18.074 3.001 -0.198 1.00 0.25 H new ATOM 0 HD21 ASN A 68 -17.892 -0.518 0.200 1.00 0.83 H new ATOM 0 HD22 ASN A 68 -17.776 0.845 -0.918 1.00 0.83 H new ATOM 1153 N PHE A 69 -15.513 5.365 1.581 1.00 0.17 N ATOM 1154 CA PHE A 69 -15.407 6.818 1.628 1.00 0.18 C ATOM 1155 C PHE A 69 -13.969 7.289 1.856 1.00 0.15 C ATOM 1156 O PHE A 69 -13.700 8.490 1.825 1.00 0.18 O ATOM 1157 CB PHE A 69 -16.307 7.365 2.734 1.00 0.22 C ATOM 1158 CG PHE A 69 -17.682 6.764 2.733 1.00 0.25 C ATOM 1159 CD1 PHE A 69 -18.696 7.333 1.980 1.00 0.32 C ATOM 1160 CD2 PHE A 69 -17.962 5.636 3.487 1.00 0.27 C ATOM 1161 CE1 PHE A 69 -19.964 6.789 1.978 1.00 0.36 C ATOM 1162 CE2 PHE A 69 -19.230 5.086 3.488 1.00 0.31 C ATOM 1163 CZ PHE A 69 -20.223 5.642 2.731 1.00 0.34 C ATOM 0 H PHE A 69 -15.196 4.890 2.426 1.00 0.17 H new ATOM 0 HA PHE A 69 -15.727 7.199 0.658 1.00 0.18 H new ATOM 0 HB2 PHE A 69 -15.838 7.179 3.700 1.00 0.22 H new ATOM 0 HB3 PHE A 69 -16.391 8.446 2.623 1.00 0.22 H new ATOM 0 HD1 PHE A 69 -18.492 8.213 1.388 1.00 0.32 H new ATOM 0 HD2 PHE A 69 -17.182 5.182 4.080 1.00 0.27 H new ATOM 0 HE1 PHE A 69 -20.751 7.247 1.398 1.00 0.36 H new ATOM 0 HE2 PHE A 69 -19.437 4.213 4.089 1.00 0.31 H new ATOM 0 HZ PHE A 69 -21.206 5.195 2.715 1.00 0.34 H new ATOM 1173 N ILE A 70 -13.044 6.357 2.084 1.00 0.12 N ATOM 1174 CA ILE A 70 -11.651 6.728 2.319 1.00 0.11 C ATOM 1175 C ILE A 70 -10.968 7.148 1.026 1.00 0.12 C ATOM 1176 O ILE A 70 -11.540 7.035 -0.059 1.00 0.13 O ATOM 1177 CB ILE A 70 -10.843 5.585 2.964 1.00 0.11 C ATOM 1178 CG1 ILE A 70 -10.742 4.396 2.014 1.00 0.11 C ATOM 1179 CG2 ILE A 70 -11.467 5.168 4.287 1.00 0.13 C ATOM 1180 CD1 ILE A 70 -9.956 3.238 2.586 1.00 0.15 C ATOM 0 H ILE A 70 -13.230 5.355 2.111 1.00 0.12 H new ATOM 0 HA ILE A 70 -11.674 7.569 3.012 1.00 0.11 H new ATOM 0 HB ILE A 70 -9.835 5.947 3.163 1.00 0.11 H new ATOM 0 HG12 ILE A 70 -11.746 4.055 1.762 1.00 0.11 H new ATOM 0 HG13 ILE A 70 -10.273 4.721 1.085 1.00 0.11 H new ATOM 0 HG21 ILE A 70 -10.882 4.360 4.727 1.00 0.13 H new ATOM 0 HG22 ILE A 70 -11.479 6.019 4.968 1.00 0.13 H new ATOM 0 HG23 ILE A 70 -12.488 4.826 4.116 1.00 0.13 H new ATOM 0 HD11 ILE A 70 -9.923 2.426 1.859 1.00 0.15 H new ATOM 0 HD12 ILE A 70 -8.941 3.564 2.812 1.00 0.15 H new ATOM 0 HD13 ILE A 70 -10.437 2.888 3.499 1.00 0.15 H new ATOM 1192 N SER A 71 -9.739 7.631 1.152 1.00 0.12 N ATOM 1193 CA SER A 71 -8.973 8.087 0.000 1.00 0.14 C ATOM 1194 C SER A 71 -8.310 6.921 -0.722 1.00 0.13 C ATOM 1195 O SER A 71 -7.217 6.489 -0.356 1.00 0.15 O ATOM 1196 CB SER A 71 -7.912 9.094 0.441 1.00 0.17 C ATOM 1197 OG SER A 71 -7.185 9.588 -0.670 1.00 1.14 O ATOM 0 H SER A 71 -9.250 7.717 2.043 1.00 0.12 H new ATOM 0 HA SER A 71 -9.664 8.567 -0.693 1.00 0.14 H new ATOM 0 HB2 SER A 71 -8.388 9.922 0.965 1.00 0.17 H new ATOM 0 HB3 SER A 71 -7.228 8.621 1.146 1.00 0.17 H new ATOM 0 HG SER A 71 -6.225 9.534 -0.483 1.00 1.14 H new ATOM 1203 N LEU A 72 -8.979 6.418 -1.751 1.00 0.12 N ATOM 1204 CA LEU A 72 -8.455 5.312 -2.539 1.00 0.12 C ATOM 1205 C LEU A 72 -7.565 5.835 -3.670 1.00 0.13 C ATOM 1206 O LEU A 72 -7.789 6.931 -4.183 1.00 0.15 O ATOM 1207 CB LEU A 72 -9.605 4.482 -3.114 1.00 0.13 C ATOM 1208 CG LEU A 72 -9.736 3.065 -2.549 1.00 0.15 C ATOM 1209 CD1 LEU A 72 -9.765 3.088 -1.030 1.00 0.17 C ATOM 1210 CD2 LEU A 72 -10.986 2.393 -3.093 1.00 0.16 C ATOM 0 H LEU A 72 -9.889 6.760 -2.060 1.00 0.12 H new ATOM 0 HA LEU A 72 -7.853 4.677 -1.889 1.00 0.12 H new ATOM 0 HB2 LEU A 72 -10.540 5.014 -2.936 1.00 0.13 H new ATOM 0 HB3 LEU A 72 -9.477 4.414 -4.194 1.00 0.13 H new ATOM 0 HG LEU A 72 -8.865 2.490 -2.863 1.00 0.15 H new ATOM 0 HD11 LEU A 72 -9.859 2.070 -0.652 1.00 0.17 H new ATOM 0 HD12 LEU A 72 -8.842 3.531 -0.655 1.00 0.17 H new ATOM 0 HD13 LEU A 72 -10.615 3.680 -0.691 1.00 0.17 H new ATOM 0 HD21 LEU A 72 -11.066 1.386 -2.683 1.00 0.16 H new ATOM 0 HD22 LEU A 72 -11.864 2.972 -2.807 1.00 0.16 H new ATOM 0 HD23 LEU A 72 -10.926 2.338 -4.180 1.00 0.16 H new ATOM 1222 N PRO A 73 -6.540 5.061 -4.079 1.00 0.13 N ATOM 1223 CA PRO A 73 -6.237 3.750 -3.500 1.00 0.11 C ATOM 1224 C PRO A 73 -5.601 3.857 -2.119 1.00 0.10 C ATOM 1225 O PRO A 73 -4.674 4.638 -1.908 1.00 0.13 O ATOM 1226 CB PRO A 73 -5.255 3.143 -4.498 1.00 0.12 C ATOM 1227 CG PRO A 73 -4.572 4.315 -5.110 1.00 0.19 C ATOM 1228 CD PRO A 73 -5.596 5.418 -5.155 1.00 0.14 C ATOM 0 HA PRO A 73 -7.136 3.153 -3.349 1.00 0.11 H new ATOM 0 HB2 PRO A 73 -4.543 2.483 -4.003 1.00 0.12 H new ATOM 0 HB3 PRO A 73 -5.772 2.547 -5.251 1.00 0.12 H new ATOM 0 HG2 PRO A 73 -3.705 4.612 -4.521 1.00 0.19 H new ATOM 0 HG3 PRO A 73 -4.211 4.077 -6.111 1.00 0.19 H new ATOM 0 HD2 PRO A 73 -5.142 6.394 -4.982 1.00 0.14 H new ATOM 0 HD3 PRO A 73 -6.092 5.465 -6.124 1.00 0.14 H new ATOM 1236 N ALA A 74 -6.110 3.064 -1.186 1.00 0.09 N ATOM 1237 CA ALA A 74 -5.601 3.064 0.180 1.00 0.09 C ATOM 1238 C ALA A 74 -4.780 1.813 0.457 1.00 0.08 C ATOM 1239 O ALA A 74 -5.044 0.750 -0.106 1.00 0.14 O ATOM 1240 CB ALA A 74 -6.753 3.169 1.167 1.00 0.09 C ATOM 0 H ALA A 74 -6.876 2.411 -1.350 1.00 0.09 H new ATOM 0 HA ALA A 74 -4.949 3.929 0.302 1.00 0.09 H new ATOM 0 HB1 ALA A 74 -6.362 3.168 2.184 1.00 0.09 H new ATOM 0 HB2 ALA A 74 -7.301 4.095 0.990 1.00 0.09 H new ATOM 0 HB3 ALA A 74 -7.423 2.320 1.035 1.00 0.09 H new ATOM 1246 N LEU A 75 -3.785 1.939 1.329 1.00 0.07 N ATOM 1247 CA LEU A 75 -2.931 0.810 1.673 1.00 0.07 C ATOM 1248 C LEU A 75 -3.378 0.162 2.975 1.00 0.07 C ATOM 1249 O LEU A 75 -3.238 0.743 4.050 1.00 0.10 O ATOM 1250 CB LEU A 75 -1.476 1.253 1.800 1.00 0.08 C ATOM 1251 CG LEU A 75 -0.525 0.176 2.322 1.00 0.07 C ATOM 1252 CD1 LEU A 75 -0.372 -0.940 1.301 1.00 0.07 C ATOM 1253 CD2 LEU A 75 0.827 0.780 2.664 1.00 0.09 C ATOM 0 H LEU A 75 -3.551 2.809 1.808 1.00 0.07 H new ATOM 0 HA LEU A 75 -3.015 0.079 0.869 1.00 0.07 H new ATOM 0 HB2 LEU A 75 -1.125 1.586 0.823 1.00 0.08 H new ATOM 0 HB3 LEU A 75 -1.429 2.114 2.466 1.00 0.08 H new ATOM 0 HG LEU A 75 -0.950 -0.249 3.232 1.00 0.07 H new ATOM 0 HD11 LEU A 75 0.308 -1.698 1.689 1.00 0.07 H new ATOM 0 HD12 LEU A 75 -1.345 -1.391 1.107 1.00 0.07 H new ATOM 0 HD13 LEU A 75 0.030 -0.532 0.374 1.00 0.07 H new ATOM 0 HD21 LEU A 75 1.491 -0.001 3.034 1.00 0.09 H new ATOM 0 HD22 LEU A 75 1.260 1.232 1.772 1.00 0.09 H new ATOM 0 HD23 LEU A 75 0.701 1.543 3.432 1.00 0.09 H new ATOM 1265 N VAL A 76 -3.907 -1.048 2.872 1.00 0.06 N ATOM 1266 CA VAL A 76 -4.365 -1.780 4.041 1.00 0.07 C ATOM 1267 C VAL A 76 -3.184 -2.406 4.771 1.00 0.07 C ATOM 1268 O VAL A 76 -2.724 -3.491 4.416 1.00 0.08 O ATOM 1269 CB VAL A 76 -5.364 -2.883 3.651 1.00 0.08 C ATOM 1270 CG1 VAL A 76 -4.767 -3.773 2.579 1.00 0.08 C ATOM 1271 CG2 VAL A 76 -5.774 -3.700 4.869 1.00 0.10 C ATOM 0 H VAL A 76 -4.029 -1.544 1.989 1.00 0.06 H new ATOM 0 HA VAL A 76 -4.867 -1.070 4.699 1.00 0.07 H new ATOM 0 HB VAL A 76 -6.261 -2.412 3.250 1.00 0.08 H new ATOM 0 HG11 VAL A 76 -5.483 -4.550 2.311 1.00 0.08 H new ATOM 0 HG12 VAL A 76 -4.534 -3.175 1.698 1.00 0.08 H new ATOM 0 HG13 VAL A 76 -3.855 -4.235 2.956 1.00 0.08 H new ATOM 0 HG21 VAL A 76 -6.481 -4.473 4.567 1.00 0.10 H new ATOM 0 HG22 VAL A 76 -4.892 -4.166 5.308 1.00 0.10 H new ATOM 0 HG23 VAL A 76 -6.243 -3.046 5.604 1.00 0.10 H new ATOM 1281 N TRP A 77 -2.698 -1.720 5.793 1.00 0.07 N ATOM 1282 CA TRP A 77 -1.568 -2.215 6.561 1.00 0.08 C ATOM 1283 C TRP A 77 -1.868 -3.587 7.146 1.00 0.09 C ATOM 1284 O TRP A 77 -2.939 -3.817 7.709 1.00 0.13 O ATOM 1285 CB TRP A 77 -1.215 -1.243 7.682 1.00 0.10 C ATOM 1286 CG TRP A 77 0.153 -1.469 8.239 1.00 0.09 C ATOM 1287 CD1 TRP A 77 0.466 -1.967 9.470 1.00 0.10 C ATOM 1288 CD2 TRP A 77 1.396 -1.212 7.579 1.00 0.09 C ATOM 1289 NE1 TRP A 77 1.829 -2.028 9.618 1.00 0.11 N ATOM 1290 CE2 TRP A 77 2.422 -1.570 8.472 1.00 0.10 C ATOM 1291 CE3 TRP A 77 1.741 -0.711 6.321 1.00 0.09 C ATOM 1292 CZ2 TRP A 77 3.770 -1.444 8.147 1.00 0.11 C ATOM 1293 CZ3 TRP A 77 3.079 -0.587 5.999 1.00 0.11 C ATOM 1294 CH2 TRP A 77 4.079 -0.952 6.909 1.00 0.12 C ATOM 0 H TRP A 77 -3.067 -0.823 6.109 1.00 0.07 H new ATOM 0 HA TRP A 77 -0.718 -2.302 5.885 1.00 0.08 H new ATOM 0 HB2 TRP A 77 -1.285 -0.222 7.306 1.00 0.10 H new ATOM 0 HB3 TRP A 77 -1.948 -1.338 8.483 1.00 0.10 H new ATOM 0 HD1 TRP A 77 -0.253 -2.269 10.218 1.00 0.10 H new ATOM 0 HE1 TRP A 77 2.321 -2.361 10.447 1.00 0.11 H new ATOM 0 HE3 TRP A 77 0.976 -0.426 5.614 1.00 0.09 H new ATOM 0 HZ2 TRP A 77 4.543 -1.725 8.847 1.00 0.11 H new ATOM 0 HZ3 TRP A 77 3.358 -0.202 5.029 1.00 0.11 H new ATOM 0 HH2 TRP A 77 5.116 -0.843 6.627 1.00 0.12 H new ATOM 1305 N ARG A 78 -0.913 -4.496 7.006 1.00 0.10 N ATOM 1306 CA ARG A 78 -1.063 -5.847 7.520 1.00 0.13 C ATOM 1307 C ARG A 78 0.081 -6.198 8.458 1.00 0.15 C ATOM 1308 O ARG A 78 1.242 -6.255 8.052 1.00 0.17 O ATOM 1309 CB ARG A 78 -1.128 -6.850 6.368 1.00 0.16 C ATOM 1310 CG ARG A 78 -2.487 -6.900 5.688 1.00 0.19 C ATOM 1311 CD ARG A 78 -3.463 -7.775 6.455 1.00 0.30 C ATOM 1312 NE ARG A 78 -2.970 -9.143 6.600 1.00 0.23 N ATOM 1313 CZ ARG A 78 -3.533 -10.050 7.392 1.00 0.33 C ATOM 1314 NH1 ARG A 78 -4.600 -9.735 8.112 1.00 0.79 N ATOM 1315 NH2 ARG A 78 -3.026 -11.273 7.463 1.00 0.38 N ATOM 0 H ARG A 78 -0.024 -4.320 6.539 1.00 0.10 H new ATOM 0 HA ARG A 78 -1.995 -5.896 8.082 1.00 0.13 H new ATOM 0 HB2 ARG A 78 -0.369 -6.593 5.629 1.00 0.16 H new ATOM 0 HB3 ARG A 78 -0.882 -7.842 6.746 1.00 0.16 H new ATOM 0 HG2 ARG A 78 -2.890 -5.891 5.604 1.00 0.19 H new ATOM 0 HG3 ARG A 78 -2.373 -7.283 4.674 1.00 0.19 H new ATOM 0 HD2 ARG A 78 -3.638 -7.346 7.441 1.00 0.30 H new ATOM 0 HD3 ARG A 78 -4.423 -7.788 5.938 1.00 0.30 H new ATOM 0 HE ARG A 78 -2.147 -9.417 6.063 1.00 0.23 H new ATOM 0 HH11 ARG A 78 -4.991 -8.795 8.059 1.00 0.79 H new ATOM 0 HH12 ARG A 78 -5.030 -10.433 8.719 1.00 0.79 H new ATOM 0 HH21 ARG A 78 -2.204 -11.517 6.910 1.00 0.38 H new ATOM 0 HH22 ARG A 78 -3.458 -11.969 8.071 1.00 0.38 H new ATOM 1329 N GLU A 79 -0.262 -6.432 9.717 1.00 0.17 N ATOM 1330 CA GLU A 79 0.724 -6.780 10.729 1.00 0.20 C ATOM 1331 C GLU A 79 1.498 -8.031 10.332 1.00 0.23 C ATOM 1332 O GLU A 79 2.593 -8.279 10.835 1.00 0.28 O ATOM 1333 CB GLU A 79 0.036 -7.001 12.074 1.00 0.21 C ATOM 1334 CG GLU A 79 -0.736 -5.791 12.570 1.00 0.28 C ATOM 1335 CD GLU A 79 0.171 -4.637 12.953 1.00 0.86 C ATOM 1336 OE1 GLU A 79 0.654 -4.620 14.105 1.00 1.13 O ATOM 1337 OE2 GLU A 79 0.397 -3.751 12.102 1.00 1.75 O ATOM 0 H GLU A 79 -1.221 -6.387 10.063 1.00 0.17 H new ATOM 0 HA GLU A 79 1.429 -5.954 10.814 1.00 0.20 H new ATOM 0 HB2 GLU A 79 -0.647 -7.847 11.989 1.00 0.21 H new ATOM 0 HB3 GLU A 79 0.787 -7.271 12.816 1.00 0.21 H new ATOM 0 HG2 GLU A 79 -1.427 -5.463 11.794 1.00 0.28 H new ATOM 0 HG3 GLU A 79 -1.338 -6.077 13.433 1.00 0.28 H new ATOM 1344 N ASP A 80 0.922 -8.819 9.429 1.00 0.24 N ATOM 1345 CA ASP A 80 1.562 -10.043 8.970 1.00 0.32 C ATOM 1346 C ASP A 80 2.566 -9.763 7.852 1.00 0.35 C ATOM 1347 O ASP A 80 3.160 -10.688 7.300 1.00 0.45 O ATOM 1348 CB ASP A 80 0.509 -11.041 8.489 1.00 0.34 C ATOM 1349 CG ASP A 80 -0.485 -11.402 9.576 1.00 1.29 C ATOM 1350 OD1 ASP A 80 -1.468 -10.653 9.754 1.00 2.00 O ATOM 1351 OD2 ASP A 80 -0.279 -12.434 10.248 1.00 1.86 O ATOM 0 H ASP A 80 0.015 -8.631 9.002 1.00 0.24 H new ATOM 0 HA ASP A 80 2.106 -10.471 9.812 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -0.025 -10.619 7.638 1.00 0.34 H new ATOM 0 HB3 ASP A 80 1.004 -11.946 8.138 1.00 0.34 H new ATOM 1356 N GLY A 81 2.757 -8.486 7.517 1.00 0.32 N ATOM 1357 CA GLY A 81 3.693 -8.131 6.465 1.00 0.40 C ATOM 1358 C GLY A 81 3.164 -8.445 5.077 1.00 0.45 C ATOM 1359 O GLY A 81 3.904 -8.378 4.096 1.00 0.82 O ATOM 0 H GLY A 81 2.282 -7.696 7.954 1.00 0.32 H new ATOM 0 HA2 GLY A 81 3.920 -7.067 6.530 1.00 0.40 H new ATOM 0 HA3 GLY A 81 4.629 -8.667 6.622 1.00 0.40 H new ATOM 1363 N ARG A 82 1.881 -8.787 4.994 1.00 0.18 N ATOM 1364 CA ARG A 82 1.252 -9.104 3.721 1.00 0.18 C ATOM 1365 C ARG A 82 0.205 -8.053 3.391 1.00 0.14 C ATOM 1366 O ARG A 82 -0.993 -8.337 3.363 1.00 0.17 O ATOM 1367 CB ARG A 82 0.606 -10.485 3.786 1.00 0.22 C ATOM 1368 CG ARG A 82 1.493 -11.535 4.430 1.00 0.29 C ATOM 1369 CD ARG A 82 2.808 -11.688 3.685 1.00 0.60 C ATOM 1370 NE ARG A 82 3.555 -12.865 4.123 1.00 0.96 N ATOM 1371 CZ ARG A 82 4.836 -13.074 3.834 1.00 1.46 C ATOM 1372 NH1 ARG A 82 5.512 -12.184 3.121 1.00 1.68 N ATOM 1373 NH2 ARG A 82 5.442 -14.173 4.261 1.00 1.85 N ATOM 0 H ARG A 82 1.257 -8.851 5.798 1.00 0.18 H new ATOM 0 HA ARG A 82 2.011 -9.109 2.939 1.00 0.18 H new ATOM 0 HB2 ARG A 82 -0.327 -10.416 4.345 1.00 0.22 H new ATOM 0 HB3 ARG A 82 0.350 -10.806 2.776 1.00 0.22 H new ATOM 0 HG2 ARG A 82 1.691 -11.260 5.466 1.00 0.29 H new ATOM 0 HG3 ARG A 82 0.971 -12.492 4.449 1.00 0.29 H new ATOM 0 HD2 ARG A 82 2.612 -11.761 2.615 1.00 0.60 H new ATOM 0 HD3 ARG A 82 3.416 -10.796 3.837 1.00 0.60 H new ATOM 0 HE ARG A 82 3.067 -13.565 4.681 1.00 0.96 H new ATOM 0 HH11 ARG A 82 5.050 -11.336 2.793 1.00 1.68 H new ATOM 0 HH12 ARG A 82 6.495 -12.347 2.901 1.00 1.68 H new ATOM 0 HH21 ARG A 82 4.926 -14.859 4.812 1.00 1.85 H new ATOM 0 HH22 ARG A 82 6.425 -14.333 4.039 1.00 1.85 H new ATOM 1387 N HIS A 83 0.670 -6.839 3.136 1.00 0.11 N ATOM 1388 CA HIS A 83 -0.221 -5.725 2.835 1.00 0.09 C ATOM 1389 C HIS A 83 -0.641 -5.731 1.372 1.00 0.08 C ATOM 1390 O HIS A 83 -0.143 -6.521 0.569 1.00 0.10 O ATOM 1391 CB HIS A 83 0.450 -4.379 3.161 1.00 0.12 C ATOM 1392 CG HIS A 83 1.600 -4.470 4.121 1.00 0.12 C ATOM 1393 ND1 HIS A 83 1.433 -4.941 5.400 1.00 0.22 N ATOM 1394 CD2 HIS A 83 2.902 -4.144 3.935 1.00 0.13 C ATOM 1395 CE1 HIS A 83 2.626 -4.892 5.964 1.00 0.23 C ATOM 1396 NE2 HIS A 83 3.550 -4.415 5.114 1.00 0.15 N ATOM 0 H HIS A 83 1.661 -6.599 3.131 1.00 0.11 H new ATOM 0 HA HIS A 83 -1.107 -5.847 3.458 1.00 0.09 H new ATOM 0 HB2 HIS A 83 0.803 -3.930 2.233 1.00 0.12 H new ATOM 0 HB3 HIS A 83 -0.300 -3.705 3.576 1.00 0.12 H new ATOM 0 HD2 HIS A 83 3.344 -3.747 3.033 1.00 0.13 H new ATOM 0 HE1 HIS A 83 2.832 -5.197 6.979 1.00 0.23 H new ATOM 0 HE2 HIS A 83 4.542 -4.280 5.307 1.00 0.15 H new ATOM 1404 N PHE A 84 -1.571 -4.845 1.041 1.00 0.09 N ATOM 1405 CA PHE A 84 -2.061 -4.707 -0.322 1.00 0.08 C ATOM 1406 C PHE A 84 -2.765 -3.368 -0.486 1.00 0.08 C ATOM 1407 O PHE A 84 -3.283 -2.806 0.479 1.00 0.08 O ATOM 1408 CB PHE A 84 -2.989 -5.864 -0.705 1.00 0.09 C ATOM 1409 CG PHE A 84 -4.192 -6.023 0.181 1.00 0.09 C ATOM 1410 CD1 PHE A 84 -5.349 -5.297 -0.057 1.00 0.12 C ATOM 1411 CD2 PHE A 84 -4.157 -6.884 1.266 1.00 0.11 C ATOM 1412 CE1 PHE A 84 -6.449 -5.429 0.769 1.00 0.14 C ATOM 1413 CE2 PHE A 84 -5.252 -7.018 2.096 1.00 0.14 C ATOM 1414 CZ PHE A 84 -6.435 -6.343 1.791 1.00 0.15 C ATOM 0 H PHE A 84 -2.004 -4.205 1.707 1.00 0.09 H new ATOM 0 HA PHE A 84 -1.207 -4.742 -0.998 1.00 0.08 H new ATOM 0 HB2 PHE A 84 -3.327 -5.717 -1.731 1.00 0.09 H new ATOM 0 HB3 PHE A 84 -2.417 -6.792 -0.688 1.00 0.09 H new ATOM 0 HD1 PHE A 84 -5.391 -4.620 -0.898 1.00 0.12 H new ATOM 0 HD2 PHE A 84 -3.263 -7.457 1.465 1.00 0.11 H new ATOM 0 HE1 PHE A 84 -7.321 -4.812 0.609 1.00 0.14 H new ATOM 0 HE2 PHE A 84 -5.194 -7.641 2.976 1.00 0.14 H new ATOM 0 HZ PHE A 84 -7.334 -6.539 2.357 1.00 0.15 H new ATOM 1424 N ILE A 85 -2.780 -2.861 -1.709 1.00 0.09 N ATOM 1425 CA ILE A 85 -3.393 -1.570 -1.986 1.00 0.09 C ATOM 1426 C ILE A 85 -4.837 -1.711 -2.445 1.00 0.08 C ATOM 1427 O ILE A 85 -5.115 -2.305 -3.486 1.00 0.09 O ATOM 1428 CB ILE A 85 -2.594 -0.799 -3.057 1.00 0.11 C ATOM 1429 CG1 ILE A 85 -1.171 -0.539 -2.564 1.00 0.12 C ATOM 1430 CG2 ILE A 85 -3.282 0.513 -3.413 1.00 0.13 C ATOM 1431 CD1 ILE A 85 -0.360 0.326 -3.503 1.00 0.12 C ATOM 0 H ILE A 85 -2.376 -3.322 -2.524 1.00 0.09 H new ATOM 0 HA ILE A 85 -3.381 -1.012 -1.050 1.00 0.09 H new ATOM 0 HB ILE A 85 -2.550 -1.411 -3.958 1.00 0.11 H new ATOM 0 HG12 ILE A 85 -1.215 -0.059 -1.586 1.00 0.12 H new ATOM 0 HG13 ILE A 85 -0.661 -1.493 -2.428 1.00 0.12 H new ATOM 0 HG21 ILE A 85 -2.698 1.036 -4.170 1.00 0.13 H new ATOM 0 HG22 ILE A 85 -4.279 0.307 -3.802 1.00 0.13 H new ATOM 0 HG23 ILE A 85 -3.362 1.135 -2.522 1.00 0.13 H new ATOM 0 HD11 ILE A 85 0.639 0.471 -3.093 1.00 0.12 H new ATOM 0 HD12 ILE A 85 -0.286 -0.162 -4.475 1.00 0.12 H new ATOM 0 HD13 ILE A 85 -0.848 1.294 -3.619 1.00 0.12 H new ATOM 1443 N LEU A 86 -5.749 -1.153 -1.659 1.00 0.08 N ATOM 1444 CA LEU A 86 -7.164 -1.182 -1.992 1.00 0.08 C ATOM 1445 C LEU A 86 -7.461 -0.090 -3.006 1.00 0.08 C ATOM 1446 O LEU A 86 -7.207 1.084 -2.751 1.00 0.10 O ATOM 1447 CB LEU A 86 -8.020 -0.987 -0.737 1.00 0.09 C ATOM 1448 CG LEU A 86 -9.530 -1.005 -0.976 1.00 0.10 C ATOM 1449 CD1 LEU A 86 -9.930 -2.236 -1.774 1.00 0.11 C ATOM 1450 CD2 LEU A 86 -10.280 -0.964 0.349 1.00 0.14 C ATOM 0 H LEU A 86 -5.531 -0.674 -0.785 1.00 0.08 H new ATOM 0 HA LEU A 86 -7.410 -2.154 -2.420 1.00 0.08 H new ATOM 0 HB2 LEU A 86 -7.771 -1.770 -0.021 1.00 0.09 H new ATOM 0 HB3 LEU A 86 -7.751 -0.036 -0.276 1.00 0.09 H new ATOM 0 HG LEU A 86 -9.797 -0.119 -1.552 1.00 0.10 H new ATOM 0 HD11 LEU A 86 -11.008 -2.231 -1.934 1.00 0.11 H new ATOM 0 HD12 LEU A 86 -9.420 -2.227 -2.737 1.00 0.11 H new ATOM 0 HD13 LEU A 86 -9.649 -3.134 -1.223 1.00 0.11 H new ATOM 0 HD21 LEU A 86 -11.353 -0.977 0.160 1.00 0.14 H new ATOM 0 HD22 LEU A 86 -10.006 -1.832 0.949 1.00 0.14 H new ATOM 0 HD23 LEU A 86 -10.018 -0.053 0.887 1.00 0.14 H new ATOM 1462 N THR A 87 -7.992 -0.479 -4.156 1.00 0.08 N ATOM 1463 CA THR A 87 -8.295 0.478 -5.212 1.00 0.09 C ATOM 1464 C THR A 87 -9.795 0.638 -5.429 1.00 0.09 C ATOM 1465 O THR A 87 -10.236 1.604 -6.052 1.00 0.11 O ATOM 1466 CB THR A 87 -7.647 0.058 -6.543 1.00 0.10 C ATOM 1467 OG1 THR A 87 -8.180 -1.199 -6.971 1.00 0.14 O ATOM 1468 CG2 THR A 87 -6.139 -0.052 -6.396 1.00 0.13 C ATOM 0 H THR A 87 -8.222 -1.447 -4.382 1.00 0.08 H new ATOM 0 HA THR A 87 -7.884 1.433 -4.885 1.00 0.09 H new ATOM 0 HB THR A 87 -7.871 0.821 -7.289 1.00 0.10 H new ATOM 0 HG1 THR A 87 -8.381 -1.753 -6.188 1.00 0.14 H new ATOM 0 HG21 THR A 87 -5.701 -0.350 -7.349 1.00 0.13 H new ATOM 0 HG22 THR A 87 -5.731 0.913 -6.096 1.00 0.13 H new ATOM 0 HG23 THR A 87 -5.901 -0.798 -5.638 1.00 0.13 H new ATOM 1476 N LYS A 88 -10.576 -0.307 -4.923 1.00 0.09 N ATOM 1477 CA LYS A 88 -12.020 -0.250 -5.080 1.00 0.10 C ATOM 1478 C LYS A 88 -12.697 -1.401 -4.351 1.00 0.11 C ATOM 1479 O LYS A 88 -12.070 -2.414 -4.049 1.00 0.11 O ATOM 1480 CB LYS A 88 -12.382 -0.286 -6.564 1.00 0.12 C ATOM 1481 CG LYS A 88 -13.873 -0.378 -6.829 1.00 0.16 C ATOM 1482 CD LYS A 88 -14.171 -0.382 -8.320 1.00 0.21 C ATOM 1483 CE LYS A 88 -15.656 -0.559 -8.591 1.00 0.55 C ATOM 1484 NZ LYS A 88 -16.467 0.513 -7.950 1.00 1.43 N ATOM 0 H LYS A 88 -10.235 -1.116 -4.404 1.00 0.09 H new ATOM 0 HA LYS A 88 -12.375 0.683 -4.643 1.00 0.10 H new ATOM 0 HB2 LYS A 88 -11.992 0.611 -7.045 1.00 0.12 H new ATOM 0 HB3 LYS A 88 -11.887 -1.139 -7.029 1.00 0.12 H new ATOM 0 HG2 LYS A 88 -14.270 -1.286 -6.374 1.00 0.16 H new ATOM 0 HG3 LYS A 88 -14.381 0.463 -6.357 1.00 0.16 H new ATOM 0 HD2 LYS A 88 -13.828 0.553 -8.763 1.00 0.21 H new ATOM 0 HD3 LYS A 88 -13.614 -1.186 -8.801 1.00 0.21 H new ATOM 0 HE2 LYS A 88 -15.832 -0.554 -9.667 1.00 0.55 H new ATOM 0 HE3 LYS A 88 -15.980 -1.531 -8.219 1.00 0.55 H new ATOM 0 HZ1 LYS A 88 -17.439 0.480 -8.318 1.00 1.43 H new ATOM 0 HZ2 LYS A 88 -16.482 0.368 -6.920 1.00 1.43 H new ATOM 0 HZ3 LYS A 88 -16.047 1.440 -8.163 1.00 1.43 H new ATOM 1498 N VAL A 89 -13.981 -1.232 -4.063 1.00 0.13 N ATOM 1499 CA VAL A 89 -14.748 -2.256 -3.375 1.00 0.15 C ATOM 1500 C VAL A 89 -16.159 -2.359 -3.943 1.00 0.17 C ATOM 1501 O VAL A 89 -16.950 -1.422 -3.841 1.00 0.20 O ATOM 1502 CB VAL A 89 -14.819 -1.981 -1.859 1.00 0.18 C ATOM 1503 CG1 VAL A 89 -13.424 -1.778 -1.294 1.00 0.18 C ATOM 1504 CG2 VAL A 89 -15.697 -0.778 -1.560 1.00 0.21 C ATOM 0 H VAL A 89 -14.512 -0.393 -4.297 1.00 0.13 H new ATOM 0 HA VAL A 89 -14.233 -3.203 -3.534 1.00 0.15 H new ATOM 0 HB VAL A 89 -15.268 -2.850 -1.378 1.00 0.18 H new ATOM 0 HG11 VAL A 89 -13.490 -1.585 -0.223 1.00 0.18 H new ATOM 0 HG12 VAL A 89 -12.828 -2.675 -1.465 1.00 0.18 H new ATOM 0 HG13 VAL A 89 -12.952 -0.929 -1.788 1.00 0.18 H new ATOM 0 HG21 VAL A 89 -15.728 -0.609 -0.484 1.00 0.21 H new ATOM 0 HG22 VAL A 89 -15.288 0.103 -2.054 1.00 0.21 H new ATOM 0 HG23 VAL A 89 -16.706 -0.964 -1.927 1.00 0.21 H new ATOM 1514 N SER A 90 -16.465 -3.503 -4.542 1.00 0.20 N ATOM 1515 CA SER A 90 -17.782 -3.728 -5.121 1.00 0.24 C ATOM 1516 C SER A 90 -18.770 -4.149 -4.042 1.00 0.23 C ATOM 1517 O SER A 90 -19.139 -5.317 -3.946 1.00 0.22 O ATOM 1518 CB SER A 90 -17.706 -4.800 -6.209 1.00 0.27 C ATOM 1519 OG SER A 90 -16.784 -4.436 -7.222 1.00 1.15 O ATOM 0 H SER A 90 -15.820 -4.287 -4.639 1.00 0.20 H new ATOM 0 HA SER A 90 -18.128 -2.796 -5.568 1.00 0.24 H new ATOM 0 HB2 SER A 90 -17.408 -5.751 -5.767 1.00 0.27 H new ATOM 0 HB3 SER A 90 -18.693 -4.948 -6.648 1.00 0.27 H new ATOM 0 HG SER A 90 -16.753 -5.139 -7.904 1.00 1.15 H new ATOM 1525 N LYS A 91 -19.204 -3.184 -3.237 1.00 0.28 N ATOM 1526 CA LYS A 91 -20.141 -3.454 -2.153 1.00 0.31 C ATOM 1527 C LYS A 91 -21.354 -4.220 -2.666 1.00 0.33 C ATOM 1528 O LYS A 91 -21.963 -4.999 -1.934 1.00 0.35 O ATOM 1529 CB LYS A 91 -20.591 -2.144 -1.505 1.00 0.41 C ATOM 1530 CG LYS A 91 -21.189 -2.322 -0.120 1.00 0.80 C ATOM 1531 CD LYS A 91 -20.167 -2.873 0.862 1.00 1.43 C ATOM 1532 CE LYS A 91 -20.750 -3.016 2.259 1.00 1.61 C ATOM 1533 NZ LYS A 91 -21.263 -1.719 2.783 1.00 1.86 N ATOM 0 H LYS A 91 -18.921 -2.207 -3.315 1.00 0.28 H new ATOM 0 HA LYS A 91 -19.633 -4.066 -1.408 1.00 0.31 H new ATOM 0 HB2 LYS A 91 -19.737 -1.470 -1.439 1.00 0.41 H new ATOM 0 HB3 LYS A 91 -21.327 -1.664 -2.150 1.00 0.41 H new ATOM 0 HG2 LYS A 91 -21.563 -1.364 0.242 1.00 0.80 H new ATOM 0 HG3 LYS A 91 -22.043 -2.997 -0.175 1.00 0.80 H new ATOM 0 HD2 LYS A 91 -19.814 -3.844 0.514 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -19.301 -2.212 0.895 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -21.559 -3.746 2.242 1.00 1.61 H new ATOM 0 HE3 LYS A 91 -19.986 -3.403 2.933 1.00 1.61 H new ATOM 0 HZ1 LYS A 91 -20.979 -1.610 3.778 1.00 1.86 H new ATOM 0 HZ2 LYS A 91 -20.868 -0.937 2.222 1.00 1.86 H new ATOM 0 HZ3 LYS A 91 -22.301 -1.703 2.715 1.00 1.86 H new ATOM 1547 N GLU A 92 -21.696 -3.992 -3.927 1.00 0.36 N ATOM 1548 CA GLU A 92 -22.831 -4.665 -4.543 1.00 0.41 C ATOM 1549 C GLU A 92 -22.602 -6.168 -4.587 1.00 0.35 C ATOM 1550 O GLU A 92 -23.548 -6.956 -4.582 1.00 0.39 O ATOM 1551 CB GLU A 92 -23.054 -4.135 -5.957 1.00 0.49 C ATOM 1552 CG GLU A 92 -23.411 -2.661 -6.001 1.00 0.57 C ATOM 1553 CD GLU A 92 -24.718 -2.358 -5.294 1.00 1.27 C ATOM 1554 OE1 GLU A 92 -25.778 -2.428 -5.952 1.00 1.29 O ATOM 1555 OE2 GLU A 92 -24.682 -2.050 -4.085 1.00 2.09 O ATOM 0 H GLU A 92 -21.203 -3.346 -4.543 1.00 0.36 H new ATOM 0 HA GLU A 92 -23.717 -4.463 -3.941 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -22.151 -4.300 -6.545 1.00 0.49 H new ATOM 0 HB3 GLU A 92 -23.851 -4.708 -6.430 1.00 0.49 H new ATOM 0 HG2 GLU A 92 -22.610 -2.083 -5.540 1.00 0.57 H new ATOM 0 HG3 GLU A 92 -23.480 -2.338 -7.040 1.00 0.57 H new ATOM 1562 N ALA A 93 -21.334 -6.556 -4.632 1.00 0.30 N ATOM 1563 CA ALA A 93 -20.960 -7.960 -4.679 1.00 0.30 C ATOM 1564 C ALA A 93 -20.130 -8.362 -3.461 1.00 0.26 C ATOM 1565 O ALA A 93 -19.837 -9.540 -3.264 1.00 0.34 O ATOM 1566 CB ALA A 93 -20.191 -8.246 -5.956 1.00 0.36 C ATOM 0 H ALA A 93 -20.544 -5.911 -4.637 1.00 0.30 H new ATOM 0 HA ALA A 93 -21.874 -8.553 -4.665 1.00 0.30 H new ATOM 0 HB1 ALA A 93 -19.914 -9.300 -5.985 1.00 0.36 H new ATOM 0 HB2 ALA A 93 -20.816 -8.011 -6.818 1.00 0.36 H new ATOM 0 HB3 ALA A 93 -19.290 -7.633 -5.983 1.00 0.36 H new ATOM 1572 N ASN A 94 -19.752 -7.376 -2.645 1.00 0.18 N ATOM 1573 CA ASN A 94 -18.956 -7.625 -1.451 1.00 0.18 C ATOM 1574 C ASN A 94 -17.511 -7.947 -1.814 1.00 0.19 C ATOM 1575 O ASN A 94 -16.776 -8.513 -1.009 1.00 0.33 O ATOM 1576 CB ASN A 94 -19.557 -8.770 -0.634 1.00 0.24 C ATOM 1577 CG ASN A 94 -21.052 -8.616 -0.440 1.00 0.21 C ATOM 1578 OD1 ASN A 94 -21.849 -9.118 -1.234 1.00 0.53 O ATOM 1579 ND2 ASN A 94 -21.441 -7.918 0.619 1.00 0.44 N ATOM 0 H ASN A 94 -19.988 -6.395 -2.794 1.00 0.18 H new ATOM 0 HA ASN A 94 -18.966 -6.717 -0.848 1.00 0.18 H new ATOM 0 HB2 ASN A 94 -19.354 -9.716 -1.135 1.00 0.24 H new ATOM 0 HB3 ASN A 94 -19.069 -8.813 0.340 1.00 0.24 H new ATOM 0 HD21 ASN A 94 -22.435 -7.780 0.802 1.00 0.44 H new ATOM 0 HD22 ASN A 94 -20.746 -7.520 1.251 1.00 0.44 H new ATOM 1586 N ARG A 95 -17.102 -7.578 -3.025 1.00 0.15 N ATOM 1587 CA ARG A 95 -15.742 -7.833 -3.476 1.00 0.15 C ATOM 1588 C ARG A 95 -14.851 -6.625 -3.218 1.00 0.13 C ATOM 1589 O ARG A 95 -15.339 -5.528 -2.943 1.00 0.15 O ATOM 1590 CB ARG A 95 -15.726 -8.191 -4.960 1.00 0.18 C ATOM 1591 CG ARG A 95 -16.537 -9.431 -5.291 1.00 0.26 C ATOM 1592 CD ARG A 95 -16.526 -9.720 -6.783 1.00 0.30 C ATOM 1593 NE ARG A 95 -17.169 -10.992 -7.102 1.00 1.01 N ATOM 1594 CZ ARG A 95 -17.328 -11.446 -8.341 1.00 1.19 C ATOM 1595 NH1 ARG A 95 -16.894 -10.732 -9.372 1.00 0.65 N ATOM 1596 NH2 ARG A 95 -17.919 -12.613 -8.552 1.00 1.98 N ATOM 0 H ARG A 95 -17.693 -7.103 -3.708 1.00 0.15 H new ATOM 0 HA ARG A 95 -15.352 -8.678 -2.909 1.00 0.15 H new ATOM 0 HB2 ARG A 95 -16.114 -7.349 -5.533 1.00 0.18 H new ATOM 0 HB3 ARG A 95 -14.695 -8.345 -5.278 1.00 0.18 H new ATOM 0 HG2 ARG A 95 -16.133 -10.287 -4.750 1.00 0.26 H new ATOM 0 HG3 ARG A 95 -17.564 -9.296 -4.953 1.00 0.26 H new ATOM 0 HD2 ARG A 95 -17.036 -8.914 -7.311 1.00 0.30 H new ATOM 0 HD3 ARG A 95 -15.497 -9.735 -7.141 1.00 0.30 H new ATOM 0 HE ARG A 95 -17.515 -11.564 -6.331 1.00 1.01 H new ATOM 0 HH11 ARG A 95 -16.438 -9.834 -9.214 1.00 0.65 H new ATOM 0 HH12 ARG A 95 -17.017 -11.082 -10.322 1.00 0.65 H new ATOM 0 HH21 ARG A 95 -18.253 -13.165 -7.762 1.00 1.98 H new ATOM 0 HH22 ARG A 95 -18.040 -12.959 -9.504 1.00 1.98 H new ATOM 1610 N TYR A 96 -13.545 -6.834 -3.309 1.00 0.11 N ATOM 1611 CA TYR A 96 -12.588 -5.765 -3.072 1.00 0.10 C ATOM 1612 C TYR A 96 -11.450 -5.791 -4.083 1.00 0.08 C ATOM 1613 O TYR A 96 -10.732 -6.782 -4.203 1.00 0.09 O ATOM 1614 CB TYR A 96 -12.032 -5.887 -1.657 1.00 0.11 C ATOM 1615 CG TYR A 96 -13.093 -5.710 -0.601 1.00 0.11 C ATOM 1616 CD1 TYR A 96 -14.016 -6.713 -0.346 1.00 0.10 C ATOM 1617 CD2 TYR A 96 -13.158 -4.548 0.156 1.00 0.14 C ATOM 1618 CE1 TYR A 96 -14.976 -6.565 0.633 1.00 0.12 C ATOM 1619 CE2 TYR A 96 -14.112 -4.392 1.141 1.00 0.16 C ATOM 1620 CZ TYR A 96 -15.078 -5.368 1.311 1.00 0.13 C ATOM 1621 OH TYR A 96 -15.969 -5.253 2.361 1.00 0.17 O ATOM 0 H TYR A 96 -13.125 -7.733 -3.545 1.00 0.11 H new ATOM 0 HA TYR A 96 -13.107 -4.813 -3.187 1.00 0.10 H new ATOM 0 HB2 TYR A 96 -11.565 -6.864 -1.537 1.00 0.11 H new ATOM 0 HB3 TYR A 96 -11.251 -5.140 -1.511 1.00 0.11 H new ATOM 0 HD1 TYR A 96 -13.983 -7.625 -0.924 1.00 0.10 H new ATOM 0 HD2 TYR A 96 -12.451 -3.753 -0.029 1.00 0.14 H new ATOM 0 HE1 TYR A 96 -15.644 -7.381 0.867 1.00 0.12 H new ATOM 0 HE2 TYR A 96 -14.105 -3.516 1.773 1.00 0.16 H new ATOM 0 HH TYR A 96 -16.077 -6.125 2.795 1.00 0.17 H new ATOM 1631 N LEU A 97 -11.292 -4.688 -4.804 1.00 0.08 N ATOM 1632 CA LEU A 97 -10.238 -4.573 -5.799 1.00 0.07 C ATOM 1633 C LEU A 97 -8.956 -4.080 -5.150 1.00 0.07 C ATOM 1634 O LEU A 97 -8.870 -2.931 -4.717 1.00 0.08 O ATOM 1635 CB LEU A 97 -10.649 -3.610 -6.910 1.00 0.09 C ATOM 1636 CG LEU A 97 -9.646 -3.482 -8.059 1.00 0.10 C ATOM 1637 CD1 LEU A 97 -9.473 -4.812 -8.776 1.00 0.15 C ATOM 1638 CD2 LEU A 97 -10.089 -2.401 -9.033 1.00 0.13 C ATOM 0 H LEU A 97 -11.882 -3.861 -4.717 1.00 0.08 H new ATOM 0 HA LEU A 97 -10.069 -5.559 -6.231 1.00 0.07 H new ATOM 0 HB2 LEU A 97 -11.606 -3.936 -7.318 1.00 0.09 H new ATOM 0 HB3 LEU A 97 -10.808 -2.623 -6.475 1.00 0.09 H new ATOM 0 HG LEU A 97 -8.681 -3.195 -7.641 1.00 0.10 H new ATOM 0 HD11 LEU A 97 -8.756 -4.697 -9.589 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -9.107 -5.560 -8.072 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -10.432 -5.134 -9.182 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -9.365 -2.323 -9.844 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -11.066 -2.658 -9.442 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -10.154 -1.446 -8.512 1.00 0.13 H new ATOM 1650 N ILE A 98 -7.962 -4.949 -5.085 1.00 0.08 N ATOM 1651 CA ILE A 98 -6.689 -4.596 -4.484 1.00 0.09 C ATOM 1652 C ILE A 98 -5.545 -4.863 -5.445 1.00 0.09 C ATOM 1653 O ILE A 98 -5.684 -5.637 -6.387 1.00 0.10 O ATOM 1654 CB ILE A 98 -6.449 -5.391 -3.191 1.00 0.09 C ATOM 1655 CG1 ILE A 98 -6.392 -6.892 -3.486 1.00 0.09 C ATOM 1656 CG2 ILE A 98 -7.540 -5.091 -2.175 1.00 0.09 C ATOM 1657 CD1 ILE A 98 -5.042 -7.367 -3.976 1.00 0.11 C ATOM 0 H ILE A 98 -8.013 -5.904 -5.441 1.00 0.08 H new ATOM 0 HA ILE A 98 -6.726 -3.532 -4.250 1.00 0.09 H new ATOM 0 HB ILE A 98 -5.490 -5.086 -2.771 1.00 0.09 H new ATOM 0 HG12 ILE A 98 -6.653 -7.441 -2.581 1.00 0.09 H new ATOM 0 HG13 ILE A 98 -7.146 -7.135 -4.235 1.00 0.09 H new ATOM 0 HG21 ILE A 98 -7.356 -5.662 -1.265 1.00 0.09 H new ATOM 0 HG22 ILE A 98 -7.538 -4.026 -1.943 1.00 0.09 H new ATOM 0 HG23 ILE A 98 -8.509 -5.370 -2.589 1.00 0.09 H new ATOM 0 HD11 ILE A 98 -5.080 -8.440 -4.163 1.00 0.11 H new ATOM 0 HD12 ILE A 98 -4.786 -6.846 -4.899 1.00 0.11 H new ATOM 0 HD13 ILE A 98 -4.286 -7.157 -3.219 1.00 0.11 H new ATOM 1669 N PHE A 99 -4.416 -4.213 -5.211 1.00 0.10 N ATOM 1670 CA PHE A 99 -3.252 -4.410 -6.058 1.00 0.11 C ATOM 1671 C PHE A 99 -2.287 -5.380 -5.394 1.00 0.12 C ATOM 1672 O PHE A 99 -1.763 -5.104 -4.318 1.00 0.14 O ATOM 1673 CB PHE A 99 -2.551 -3.084 -6.351 1.00 0.12 C ATOM 1674 CG PHE A 99 -1.481 -3.209 -7.394 1.00 0.12 C ATOM 1675 CD1 PHE A 99 -1.806 -3.219 -8.740 1.00 0.16 C ATOM 1676 CD2 PHE A 99 -0.148 -3.310 -7.029 1.00 0.12 C ATOM 1677 CE1 PHE A 99 -0.823 -3.327 -9.703 1.00 0.18 C ATOM 1678 CE2 PHE A 99 0.840 -3.418 -7.987 1.00 0.13 C ATOM 1679 CZ PHE A 99 0.499 -3.455 -9.327 1.00 0.15 C ATOM 0 H PHE A 99 -4.282 -3.550 -4.448 1.00 0.10 H new ATOM 0 HA PHE A 99 -3.587 -4.829 -7.007 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -3.289 -2.353 -6.681 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -2.111 -2.700 -5.431 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -2.841 -3.141 -9.040 1.00 0.16 H new ATOM 0 HD2 PHE A 99 0.121 -3.304 -5.983 1.00 0.12 H new ATOM 0 HE1 PHE A 99 -1.088 -3.311 -10.750 1.00 0.18 H new ATOM 0 HE2 PHE A 99 1.877 -3.473 -7.691 1.00 0.13 H new ATOM 0 HZ PHE A 99 1.265 -3.584 -10.077 1.00 0.15 H new ATOM 1689 N ASP A 100 -2.065 -6.519 -6.035 1.00 0.17 N ATOM 1690 CA ASP A 100 -1.170 -7.534 -5.495 1.00 0.20 C ATOM 1691 C ASP A 100 0.281 -7.066 -5.514 1.00 0.15 C ATOM 1692 O ASP A 100 0.878 -6.895 -6.577 1.00 0.14 O ATOM 1693 CB ASP A 100 -1.314 -8.834 -6.283 1.00 0.28 C ATOM 1694 CG ASP A 100 -0.664 -10.010 -5.580 1.00 0.32 C ATOM 1695 OD1 ASP A 100 0.552 -9.944 -5.311 1.00 0.17 O ATOM 1696 OD2 ASP A 100 -1.376 -10.998 -5.296 1.00 0.58 O ATOM 0 H ASP A 100 -2.492 -6.764 -6.929 1.00 0.17 H new ATOM 0 HA ASP A 100 -1.451 -7.710 -4.457 1.00 0.20 H new ATOM 0 HB2 ASP A 100 -2.372 -9.046 -6.439 1.00 0.28 H new ATOM 0 HB3 ASP A 100 -0.865 -8.710 -7.269 1.00 0.28 H new ATOM 1701 N LEU A 101 0.840 -6.858 -4.326 1.00 0.14 N ATOM 1702 CA LEU A 101 2.223 -6.415 -4.190 1.00 0.12 C ATOM 1703 C LEU A 101 3.203 -7.549 -4.493 1.00 0.13 C ATOM 1704 O LEU A 101 4.395 -7.313 -4.688 1.00 0.16 O ATOM 1705 CB LEU A 101 2.461 -5.877 -2.776 1.00 0.14 C ATOM 1706 CG LEU A 101 1.845 -4.504 -2.474 1.00 0.11 C ATOM 1707 CD1 LEU A 101 0.518 -4.328 -3.192 1.00 0.10 C ATOM 1708 CD2 LEU A 101 1.656 -4.324 -0.976 1.00 0.11 C ATOM 0 H LEU A 101 0.353 -6.990 -3.439 1.00 0.14 H new ATOM 0 HA LEU A 101 2.397 -5.619 -4.914 1.00 0.12 H new ATOM 0 HB2 LEU A 101 2.064 -6.598 -2.061 1.00 0.14 H new ATOM 0 HB3 LEU A 101 3.536 -5.818 -2.606 1.00 0.14 H new ATOM 0 HG LEU A 101 2.534 -3.742 -2.838 1.00 0.11 H new ATOM 0 HD11 LEU A 101 0.106 -3.346 -2.959 1.00 0.10 H new ATOM 0 HD12 LEU A 101 0.673 -4.411 -4.268 1.00 0.10 H new ATOM 0 HD13 LEU A 101 -0.178 -5.101 -2.865 1.00 0.10 H new ATOM 0 HD21 LEU A 101 1.218 -3.345 -0.780 1.00 0.11 H new ATOM 0 HD22 LEU A 101 0.992 -5.101 -0.597 1.00 0.11 H new ATOM 0 HD23 LEU A 101 2.622 -4.396 -0.476 1.00 0.11 H new ATOM 1720 N GLU A 102 2.696 -8.780 -4.531 1.00 0.14 N ATOM 1721 CA GLU A 102 3.529 -9.945 -4.806 1.00 0.16 C ATOM 1722 C GLU A 102 3.618 -10.198 -6.304 1.00 0.16 C ATOM 1723 O GLU A 102 4.688 -10.490 -6.838 1.00 0.20 O ATOM 1724 CB GLU A 102 2.947 -11.179 -4.119 1.00 0.17 C ATOM 1725 CG GLU A 102 2.406 -10.904 -2.729 1.00 0.21 C ATOM 1726 CD GLU A 102 1.974 -12.168 -2.010 1.00 0.23 C ATOM 1727 OE1 GLU A 102 2.845 -12.843 -1.422 1.00 0.32 O ATOM 1728 OE2 GLU A 102 0.765 -12.483 -2.036 1.00 0.29 O ATOM 0 H GLU A 102 1.711 -8.995 -4.374 1.00 0.14 H new ATOM 0 HA GLU A 102 4.529 -9.749 -4.419 1.00 0.16 H new ATOM 0 HB2 GLU A 102 2.146 -11.585 -4.737 1.00 0.17 H new ATOM 0 HB3 GLU A 102 3.719 -11.946 -4.054 1.00 0.17 H new ATOM 0 HG2 GLU A 102 3.171 -10.398 -2.139 1.00 0.21 H new ATOM 0 HG3 GLU A 102 1.557 -10.224 -2.802 1.00 0.21 H new ATOM 1735 N GLN A 103 2.478 -10.082 -6.970 1.00 0.15 N ATOM 1736 CA GLN A 103 2.395 -10.306 -8.405 1.00 0.16 C ATOM 1737 C GLN A 103 2.463 -8.995 -9.181 1.00 0.15 C ATOM 1738 O GLN A 103 2.709 -8.994 -10.387 1.00 0.17 O ATOM 1739 CB GLN A 103 1.097 -11.036 -8.739 1.00 0.17 C ATOM 1740 CG GLN A 103 0.788 -12.163 -7.776 1.00 0.23 C ATOM 1741 CD GLN A 103 -0.512 -12.870 -8.095 1.00 0.56 C ATOM 1742 OE1 GLN A 103 -0.928 -12.941 -9.252 1.00 1.11 O ATOM 1743 NE2 GLN A 103 -1.159 -13.401 -7.065 1.00 0.45 N ATOM 0 H GLN A 103 1.591 -9.832 -6.534 1.00 0.15 H new ATOM 0 HA GLN A 103 3.249 -10.916 -8.700 1.00 0.16 H new ATOM 0 HB2 GLN A 103 0.273 -10.323 -8.731 1.00 0.17 H new ATOM 0 HB3 GLN A 103 1.162 -11.437 -9.750 1.00 0.17 H new ATOM 0 HG2 GLN A 103 1.604 -12.886 -7.797 1.00 0.23 H new ATOM 0 HG3 GLN A 103 0.740 -11.765 -6.762 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -0.775 -13.317 -6.124 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -2.040 -13.893 -7.215 1.00 0.45 H new ATOM 1752 N ARG A 104 2.241 -7.882 -8.485 1.00 0.15 N ATOM 1753 CA ARG A 104 2.274 -6.569 -9.116 1.00 0.15 C ATOM 1754 C ARG A 104 1.082 -6.393 -10.044 1.00 0.16 C ATOM 1755 O ARG A 104 1.137 -5.626 -11.004 1.00 0.20 O ATOM 1756 CB ARG A 104 3.572 -6.389 -9.903 1.00 0.16 C ATOM 1757 CG ARG A 104 4.816 -6.724 -9.102 1.00 0.17 C ATOM 1758 CD ARG A 104 6.077 -6.462 -9.907 1.00 0.21 C ATOM 1759 NE ARG A 104 7.281 -6.902 -9.206 1.00 0.79 N ATOM 1760 CZ ARG A 104 8.509 -6.536 -9.555 1.00 0.98 C ATOM 1761 NH1 ARG A 104 8.693 -5.726 -10.589 1.00 0.64 N ATOM 1762 NH2 ARG A 104 9.554 -6.980 -8.873 1.00 1.67 N ATOM 0 H ARG A 104 2.037 -7.865 -7.486 1.00 0.15 H new ATOM 0 HA ARG A 104 2.226 -5.813 -8.332 1.00 0.15 H new ATOM 0 HB2 ARG A 104 3.540 -7.021 -10.791 1.00 0.16 H new ATOM 0 HB3 ARG A 104 3.638 -5.357 -10.248 1.00 0.16 H new ATOM 0 HG2 ARG A 104 4.835 -6.129 -8.189 1.00 0.17 H new ATOM 0 HG3 ARG A 104 4.786 -7.771 -8.800 1.00 0.17 H new ATOM 0 HD2 ARG A 104 6.008 -6.977 -10.865 1.00 0.21 H new ATOM 0 HD3 ARG A 104 6.153 -5.396 -10.123 1.00 0.21 H new ATOM 0 HE ARG A 104 7.173 -7.524 -8.405 1.00 0.79 H new ATOM 0 HH11 ARG A 104 7.891 -5.383 -11.117 1.00 0.64 H new ATOM 0 HH12 ARG A 104 9.637 -5.446 -10.856 1.00 0.64 H new ATOM 0 HH21 ARG A 104 9.416 -7.604 -8.078 1.00 1.67 H new ATOM 0 HH22 ARG A 104 10.496 -6.698 -9.143 1.00 1.67 H new ATOM 1776 N ASN A 105 0.002 -7.106 -9.746 1.00 0.14 N ATOM 1777 CA ASN A 105 -1.201 -7.039 -10.561 1.00 0.16 C ATOM 1778 C ASN A 105 -2.437 -6.818 -9.696 1.00 0.13 C ATOM 1779 O ASN A 105 -2.463 -7.206 -8.529 1.00 0.15 O ATOM 1780 CB ASN A 105 -1.363 -8.331 -11.360 1.00 0.22 C ATOM 1781 CG ASN A 105 -1.513 -9.546 -10.466 1.00 0.42 C ATOM 1782 OD1 ASN A 105 -2.024 -9.448 -9.350 1.00 1.23 O ATOM 1783 ND2 ASN A 105 -1.070 -10.700 -10.949 1.00 0.45 N ATOM 0 H ASN A 105 -0.063 -7.736 -8.946 1.00 0.14 H new ATOM 0 HA ASN A 105 -1.100 -6.195 -11.244 1.00 0.16 H new ATOM 0 HB2 ASN A 105 -2.237 -8.248 -12.007 1.00 0.22 H new ATOM 0 HB3 ASN A 105 -0.498 -8.465 -12.009 1.00 0.22 H new ATOM 0 HD21 ASN A 105 -1.147 -11.550 -10.390 1.00 0.45 H new ATOM 0 HD22 ASN A 105 -0.653 -10.737 -11.879 1.00 0.45 H new ATOM 1790 N PRO A 106 -3.478 -6.185 -10.259 1.00 0.14 N ATOM 1791 CA PRO A 106 -4.723 -5.929 -9.540 1.00 0.13 C ATOM 1792 C PRO A 106 -5.496 -7.213 -9.294 1.00 0.15 C ATOM 1793 O PRO A 106 -5.384 -8.174 -10.056 1.00 0.21 O ATOM 1794 CB PRO A 106 -5.514 -5.002 -10.470 1.00 0.15 C ATOM 1795 CG PRO A 106 -4.549 -4.569 -11.521 1.00 0.20 C ATOM 1796 CD PRO A 106 -3.533 -5.665 -11.630 1.00 0.22 C ATOM 0 HA PRO A 106 -4.542 -5.493 -8.558 1.00 0.13 H new ATOM 0 HB2 PRO A 106 -6.365 -5.522 -10.910 1.00 0.15 H new ATOM 0 HB3 PRO A 106 -5.910 -4.145 -9.925 1.00 0.15 H new ATOM 0 HG2 PRO A 106 -5.055 -4.411 -12.473 1.00 0.20 H new ATOM 0 HG3 PRO A 106 -4.076 -3.625 -11.251 1.00 0.20 H new ATOM 0 HD2 PRO A 106 -3.838 -6.431 -12.343 1.00 0.22 H new ATOM 0 HD3 PRO A 106 -2.565 -5.289 -11.961 1.00 0.22 H new ATOM 1804 N ARG A 107 -6.282 -7.223 -8.232 1.00 0.11 N ATOM 1805 CA ARG A 107 -7.067 -8.392 -7.879 1.00 0.13 C ATOM 1806 C ARG A 107 -8.361 -7.994 -7.192 1.00 0.11 C ATOM 1807 O ARG A 107 -8.442 -6.949 -6.554 1.00 0.11 O ATOM 1808 CB ARG A 107 -6.259 -9.311 -6.967 1.00 0.16 C ATOM 1809 CG ARG A 107 -5.180 -10.088 -7.697 1.00 0.18 C ATOM 1810 CD ARG A 107 -4.449 -11.036 -6.760 1.00 0.27 C ATOM 1811 NE ARG A 107 -5.365 -11.952 -6.084 1.00 0.35 N ATOM 1812 CZ ARG A 107 -5.822 -13.075 -6.631 1.00 0.98 C ATOM 1813 NH1 ARG A 107 -5.456 -13.414 -7.860 1.00 1.70 N ATOM 1814 NH2 ARG A 107 -6.646 -13.858 -5.950 1.00 1.02 N ATOM 0 H ARG A 107 -6.394 -6.432 -7.598 1.00 0.11 H new ATOM 0 HA ARG A 107 -7.315 -8.922 -8.798 1.00 0.13 H new ATOM 0 HB2 ARG A 107 -5.797 -8.715 -6.180 1.00 0.16 H new ATOM 0 HB3 ARG A 107 -6.935 -10.013 -6.480 1.00 0.16 H new ATOM 0 HG2 ARG A 107 -5.627 -10.654 -8.514 1.00 0.18 H new ATOM 0 HG3 ARG A 107 -4.468 -9.394 -8.143 1.00 0.18 H new ATOM 0 HD2 ARG A 107 -3.714 -11.610 -7.325 1.00 0.27 H new ATOM 0 HD3 ARG A 107 -3.899 -10.459 -6.017 1.00 0.27 H new ATOM 0 HE ARG A 107 -5.671 -11.717 -5.140 1.00 0.35 H new ATOM 0 HH11 ARG A 107 -4.823 -12.813 -8.388 1.00 1.70 H new ATOM 0 HH12 ARG A 107 -5.808 -14.276 -8.277 1.00 1.70 H new ATOM 0 HH21 ARG A 107 -6.931 -13.600 -5.005 1.00 1.02 H new ATOM 0 HH22 ARG A 107 -6.996 -14.719 -6.371 1.00 1.02 H new ATOM 1828 N VAL A 108 -9.366 -8.842 -7.322 1.00 0.13 N ATOM 1829 CA VAL A 108 -10.661 -8.591 -6.713 1.00 0.12 C ATOM 1830 C VAL A 108 -10.988 -9.674 -5.694 1.00 0.12 C ATOM 1831 O VAL A 108 -11.362 -10.790 -6.054 1.00 0.15 O ATOM 1832 CB VAL A 108 -11.781 -8.519 -7.770 1.00 0.14 C ATOM 1833 CG1 VAL A 108 -11.808 -9.782 -8.613 1.00 0.66 C ATOM 1834 CG2 VAL A 108 -13.129 -8.289 -7.106 1.00 0.61 C ATOM 0 H VAL A 108 -9.310 -9.715 -7.847 1.00 0.13 H new ATOM 0 HA VAL A 108 -10.603 -7.625 -6.211 1.00 0.12 H new ATOM 0 HB VAL A 108 -11.574 -7.675 -8.428 1.00 0.14 H new ATOM 0 HG11 VAL A 108 -12.606 -9.709 -9.352 1.00 0.66 H new ATOM 0 HG12 VAL A 108 -10.851 -9.900 -9.122 1.00 0.66 H new ATOM 0 HG13 VAL A 108 -11.986 -10.644 -7.971 1.00 0.66 H new ATOM 0 HG21 VAL A 108 -13.907 -8.241 -7.868 1.00 0.61 H new ATOM 0 HG22 VAL A 108 -13.342 -9.110 -6.421 1.00 0.61 H new ATOM 0 HG23 VAL A 108 -13.106 -7.351 -6.552 1.00 0.61 H new ATOM 1844 N LEU A 109 -10.839 -9.339 -4.420 1.00 0.12 N ATOM 1845 CA LEU A 109 -11.104 -10.287 -3.347 1.00 0.12 C ATOM 1846 C LEU A 109 -12.562 -10.252 -2.935 1.00 0.12 C ATOM 1847 O LEU A 109 -13.305 -9.342 -3.298 1.00 0.17 O ATOM 1848 CB LEU A 109 -10.240 -9.968 -2.127 1.00 0.11 C ATOM 1849 CG LEU A 109 -8.741 -10.213 -2.292 1.00 0.12 C ATOM 1850 CD1 LEU A 109 -8.141 -9.212 -3.265 1.00 0.12 C ATOM 1851 CD2 LEU A 109 -8.048 -10.134 -0.941 1.00 0.14 C ATOM 0 H LEU A 109 -10.536 -8.418 -4.104 1.00 0.12 H new ATOM 0 HA LEU A 109 -10.862 -11.281 -3.722 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -10.391 -8.922 -1.862 1.00 0.11 H new ATOM 0 HB3 LEU A 109 -10.596 -10.564 -1.287 1.00 0.11 H new ATOM 0 HG LEU A 109 -8.591 -11.212 -2.701 1.00 0.12 H new ATOM 0 HD11 LEU A 109 -7.073 -9.402 -3.370 1.00 0.12 H new ATOM 0 HD12 LEU A 109 -8.625 -9.314 -4.236 1.00 0.12 H new ATOM 0 HD13 LEU A 109 -8.294 -8.201 -2.888 1.00 0.12 H new ATOM 0 HD21 LEU A 109 -6.980 -10.310 -1.069 1.00 0.14 H new ATOM 0 HD22 LEU A 109 -8.204 -9.145 -0.510 1.00 0.14 H new ATOM 0 HD23 LEU A 109 -8.463 -10.890 -0.274 1.00 0.14 H new ATOM 1863 N GLU A 110 -12.966 -11.258 -2.181 1.00 0.13 N ATOM 1864 CA GLU A 110 -14.325 -11.336 -1.685 1.00 0.13 C ATOM 1865 C GLU A 110 -14.353 -10.843 -0.252 1.00 0.12 C ATOM 1866 O GLU A 110 -13.357 -10.957 0.462 1.00 0.12 O ATOM 1867 CB GLU A 110 -14.846 -12.768 -1.756 1.00 0.15 C ATOM 1868 CG GLU A 110 -14.442 -13.492 -3.027 1.00 0.19 C ATOM 1869 CD GLU A 110 -15.060 -14.873 -3.136 1.00 0.26 C ATOM 1870 OE1 GLU A 110 -16.169 -14.984 -3.697 1.00 0.33 O ATOM 1871 OE2 GLU A 110 -14.433 -15.842 -2.658 1.00 0.34 O ATOM 0 H GLU A 110 -12.368 -12.035 -1.899 1.00 0.13 H new ATOM 0 HA GLU A 110 -14.969 -10.712 -2.305 1.00 0.13 H new ATOM 0 HB2 GLU A 110 -14.475 -13.325 -0.895 1.00 0.15 H new ATOM 0 HB3 GLU A 110 -15.934 -12.756 -1.683 1.00 0.15 H new ATOM 0 HG2 GLU A 110 -14.740 -12.896 -3.890 1.00 0.19 H new ATOM 0 HG3 GLU A 110 -13.356 -13.581 -3.060 1.00 0.19 H new ATOM 1878 N GLN A 111 -15.479 -10.301 0.183 1.00 0.13 N ATOM 1879 CA GLN A 111 -15.582 -9.792 1.544 1.00 0.13 C ATOM 1880 C GLN A 111 -15.036 -10.802 2.542 1.00 0.12 C ATOM 1881 O GLN A 111 -14.296 -10.451 3.458 1.00 0.13 O ATOM 1882 CB GLN A 111 -17.026 -9.451 1.882 1.00 0.14 C ATOM 1883 CG GLN A 111 -17.196 -8.985 3.309 1.00 0.16 C ATOM 1884 CD GLN A 111 -18.533 -8.323 3.556 1.00 0.17 C ATOM 1885 OE1 GLN A 111 -19.543 -8.681 2.949 1.00 0.36 O ATOM 1886 NE2 GLN A 111 -18.542 -7.341 4.447 1.00 0.31 N ATOM 0 H GLN A 111 -16.326 -10.202 -0.377 1.00 0.13 H new ATOM 0 HA GLN A 111 -14.984 -8.883 1.609 1.00 0.13 H new ATOM 0 HB2 GLN A 111 -17.379 -8.673 1.205 1.00 0.14 H new ATOM 0 HB3 GLN A 111 -17.651 -10.328 1.713 1.00 0.14 H new ATOM 0 HG2 GLN A 111 -17.089 -9.838 3.980 1.00 0.16 H new ATOM 0 HG3 GLN A 111 -16.398 -8.284 3.555 1.00 0.16 H new ATOM 0 HE21 GLN A 111 -17.680 -7.079 4.926 1.00 0.31 H new ATOM 0 HE22 GLN A 111 -19.411 -6.848 4.654 1.00 0.31 H new ATOM 1895 N SER A 112 -15.394 -12.060 2.351 1.00 0.13 N ATOM 1896 CA SER A 112 -14.914 -13.115 3.226 1.00 0.14 C ATOM 1897 C SER A 112 -13.393 -13.127 3.209 1.00 0.14 C ATOM 1898 O SER A 112 -12.748 -13.359 4.232 1.00 0.16 O ATOM 1899 CB SER A 112 -15.456 -14.475 2.783 1.00 0.16 C ATOM 1900 OG SER A 112 -15.147 -15.481 3.731 1.00 0.95 O ATOM 0 H SER A 112 -16.012 -12.374 1.603 1.00 0.13 H new ATOM 0 HA SER A 112 -15.267 -12.924 4.239 1.00 0.14 H new ATOM 0 HB2 SER A 112 -16.536 -14.414 2.652 1.00 0.16 H new ATOM 0 HB3 SER A 112 -15.032 -14.741 1.815 1.00 0.16 H new ATOM 0 HG SER A 112 -15.506 -16.340 3.425 1.00 0.95 H new ATOM 1906 N GLU A 113 -12.829 -12.875 2.031 1.00 0.13 N ATOM 1907 CA GLU A 113 -11.385 -12.834 1.863 1.00 0.13 C ATOM 1908 C GLU A 113 -10.819 -11.543 2.434 1.00 0.14 C ATOM 1909 O GLU A 113 -9.917 -11.566 3.271 1.00 0.17 O ATOM 1910 CB GLU A 113 -11.023 -12.956 0.386 1.00 0.14 C ATOM 1911 CG GLU A 113 -11.364 -14.309 -0.205 1.00 0.18 C ATOM 1912 CD GLU A 113 -10.661 -15.449 0.504 1.00 0.25 C ATOM 1913 OE1 GLU A 113 -9.538 -15.806 0.089 1.00 0.31 O ATOM 1914 OE2 GLU A 113 -11.234 -15.986 1.476 1.00 0.30 O ATOM 0 H GLU A 113 -13.356 -12.696 1.176 1.00 0.13 H new ATOM 0 HA GLU A 113 -10.950 -13.674 2.404 1.00 0.13 H new ATOM 0 HB2 GLU A 113 -11.545 -12.181 -0.174 1.00 0.14 H new ATOM 0 HB3 GLU A 113 -9.955 -12.773 0.264 1.00 0.14 H new ATOM 0 HG2 GLU A 113 -12.442 -14.463 -0.152 1.00 0.18 H new ATOM 0 HG3 GLU A 113 -11.092 -14.319 -1.260 1.00 0.18 H new ATOM 1921 N PHE A 114 -11.355 -10.417 1.975 1.00 0.11 N ATOM 1922 CA PHE A 114 -10.905 -9.119 2.448 1.00 0.12 C ATOM 1923 C PHE A 114 -11.045 -9.044 3.960 1.00 0.13 C ATOM 1924 O PHE A 114 -10.109 -8.669 4.663 1.00 0.19 O ATOM 1925 CB PHE A 114 -11.699 -7.997 1.780 1.00 0.12 C ATOM 1926 CG PHE A 114 -11.236 -6.631 2.186 1.00 0.12 C ATOM 1927 CD1 PHE A 114 -10.221 -5.996 1.491 1.00 0.12 C ATOM 1928 CD2 PHE A 114 -11.825 -5.976 3.255 1.00 0.14 C ATOM 1929 CE1 PHE A 114 -9.800 -4.733 1.856 1.00 0.13 C ATOM 1930 CE2 PHE A 114 -11.406 -4.714 3.624 1.00 0.15 C ATOM 1931 CZ PHE A 114 -10.362 -4.111 2.952 1.00 0.14 C ATOM 0 H PHE A 114 -12.099 -10.380 1.278 1.00 0.11 H new ATOM 0 HA PHE A 114 -9.855 -8.994 2.184 1.00 0.12 H new ATOM 0 HB2 PHE A 114 -11.617 -8.096 0.698 1.00 0.12 H new ATOM 0 HB3 PHE A 114 -12.754 -8.107 2.031 1.00 0.12 H new ATOM 0 HD1 PHE A 114 -9.754 -6.494 0.654 1.00 0.12 H new ATOM 0 HD2 PHE A 114 -12.620 -6.458 3.805 1.00 0.14 H new ATOM 0 HE1 PHE A 114 -9.032 -4.233 1.285 1.00 0.13 H new ATOM 0 HE2 PHE A 114 -11.894 -4.199 4.438 1.00 0.15 H new ATOM 0 HZ PHE A 114 -9.986 -3.154 3.283 1.00 0.14 H new ATOM 1941 N GLU A 115 -12.222 -9.407 4.456 1.00 0.12 N ATOM 1942 CA GLU A 115 -12.478 -9.408 5.888 1.00 0.14 C ATOM 1943 C GLU A 115 -11.448 -10.279 6.586 1.00 0.15 C ATOM 1944 O GLU A 115 -11.021 -10.000 7.706 1.00 0.18 O ATOM 1945 CB GLU A 115 -13.875 -9.948 6.181 1.00 0.14 C ATOM 1946 CG GLU A 115 -14.992 -8.990 5.820 1.00 0.14 C ATOM 1947 CD GLU A 115 -16.352 -9.491 6.265 1.00 0.41 C ATOM 1948 OE1 GLU A 115 -16.698 -10.643 5.932 1.00 0.60 O ATOM 1949 OE2 GLU A 115 -17.075 -8.727 6.940 1.00 0.66 O ATOM 0 H GLU A 115 -13.014 -9.704 3.886 1.00 0.12 H new ATOM 0 HA GLU A 115 -12.410 -8.384 6.256 1.00 0.14 H new ATOM 0 HB2 GLU A 115 -14.016 -10.879 5.632 1.00 0.14 H new ATOM 0 HB3 GLU A 115 -13.945 -10.190 7.242 1.00 0.14 H new ATOM 0 HG2 GLU A 115 -14.797 -8.021 6.279 1.00 0.14 H new ATOM 0 HG3 GLU A 115 -15.000 -8.836 4.741 1.00 0.14 H new ATOM 1956 N ALA A 116 -11.061 -11.338 5.895 1.00 0.13 N ATOM 1957 CA ALA A 116 -10.083 -12.282 6.406 1.00 0.15 C ATOM 1958 C ALA A 116 -8.670 -11.705 6.367 1.00 0.16 C ATOM 1959 O ALA A 116 -7.723 -12.334 6.839 1.00 0.21 O ATOM 1960 CB ALA A 116 -10.148 -13.567 5.598 1.00 0.17 C ATOM 0 H ALA A 116 -11.415 -11.567 4.966 1.00 0.13 H new ATOM 0 HA ALA A 116 -10.323 -12.491 7.449 1.00 0.15 H new ATOM 0 HB1 ALA A 116 -9.414 -14.276 5.982 1.00 0.17 H new ATOM 0 HB2 ALA A 116 -11.146 -13.998 5.680 1.00 0.17 H new ATOM 0 HB3 ALA A 116 -9.931 -13.350 4.552 1.00 0.17 H new ATOM 1966 N LEU A 117 -8.526 -10.507 5.800 1.00 0.16 N ATOM 1967 CA LEU A 117 -7.222 -9.867 5.701 1.00 0.18 C ATOM 1968 C LEU A 117 -7.217 -8.511 6.401 1.00 0.19 C ATOM 1969 O LEU A 117 -6.238 -8.137 7.044 1.00 0.28 O ATOM 1970 CB LEU A 117 -6.842 -9.695 4.230 1.00 0.19 C ATOM 1971 CG LEU A 117 -6.823 -10.989 3.416 1.00 0.19 C ATOM 1972 CD1 LEU A 117 -6.719 -10.688 1.930 1.00 0.22 C ATOM 1973 CD2 LEU A 117 -5.675 -11.881 3.863 1.00 0.23 C ATOM 0 H LEU A 117 -9.295 -9.965 5.405 1.00 0.16 H new ATOM 0 HA LEU A 117 -6.490 -10.505 6.196 1.00 0.18 H new ATOM 0 HB2 LEU A 117 -7.544 -9.002 3.767 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -5.856 -9.234 4.176 1.00 0.19 H new ATOM 0 HG LEU A 117 -7.760 -11.518 3.591 1.00 0.19 H new ATOM 0 HD11 LEU A 117 -6.707 -11.623 1.369 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -7.575 -10.089 1.619 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -5.800 -10.136 1.734 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -5.676 -12.798 3.274 1.00 0.23 H new ATOM 0 HD22 LEU A 117 -4.730 -11.358 3.718 1.00 0.23 H new ATOM 0 HD23 LEU A 117 -5.795 -12.128 4.918 1.00 0.23 H new ATOM 1985 N TYR A 118 -8.318 -7.782 6.274 1.00 0.14 N ATOM 1986 CA TYR A 118 -8.438 -6.464 6.882 1.00 0.14 C ATOM 1987 C TYR A 118 -8.375 -6.551 8.404 1.00 0.20 C ATOM 1988 O TYR A 118 -8.941 -7.463 9.007 1.00 0.28 O ATOM 1989 CB TYR A 118 -9.747 -5.801 6.453 1.00 0.14 C ATOM 1990 CG TYR A 118 -9.811 -4.329 6.781 1.00 0.17 C ATOM 1991 CD1 TYR A 118 -8.853 -3.455 6.292 1.00 0.22 C ATOM 1992 CD2 TYR A 118 -10.824 -3.813 7.579 1.00 0.19 C ATOM 1993 CE1 TYR A 118 -8.897 -2.107 6.586 1.00 0.27 C ATOM 1994 CE2 TYR A 118 -10.879 -2.465 7.877 1.00 0.23 C ATOM 1995 CZ TYR A 118 -9.913 -1.616 7.379 1.00 0.27 C ATOM 1996 OH TYR A 118 -9.960 -0.276 7.676 1.00 0.33 O ATOM 0 H TYR A 118 -9.142 -8.082 5.754 1.00 0.14 H new ATOM 0 HA TYR A 118 -7.599 -5.859 6.539 1.00 0.14 H new ATOM 0 HB2 TYR A 118 -9.877 -5.932 5.379 1.00 0.14 H new ATOM 0 HB3 TYR A 118 -10.579 -6.310 6.939 1.00 0.14 H new ATOM 0 HD1 TYR A 118 -8.057 -3.836 5.669 1.00 0.22 H new ATOM 0 HD2 TYR A 118 -11.580 -4.476 7.973 1.00 0.19 H new ATOM 0 HE1 TYR A 118 -8.141 -1.441 6.198 1.00 0.27 H new ATOM 0 HE2 TYR A 118 -11.674 -2.078 8.497 1.00 0.23 H new ATOM 0 HH TYR A 118 -10.236 -0.157 8.609 1.00 0.33 H new ATOM 2006 N GLN A 119 -7.684 -5.595 9.019 1.00 0.22 N ATOM 2007 CA GLN A 119 -7.553 -5.569 10.472 1.00 0.29 C ATOM 2008 C GLN A 119 -8.085 -4.263 11.059 1.00 0.26 C ATOM 2009 O GLN A 119 -7.746 -3.899 12.185 1.00 0.40 O ATOM 2010 CB GLN A 119 -6.092 -5.762 10.885 1.00 0.36 C ATOM 2011 CG GLN A 119 -5.526 -7.122 10.512 1.00 0.56 C ATOM 2012 CD GLN A 119 -4.281 -7.465 11.304 1.00 0.70 C ATOM 2013 OE1 GLN A 119 -4.114 -7.025 12.441 1.00 1.49 O ATOM 2014 NE2 GLN A 119 -3.401 -8.256 10.708 1.00 0.36 N ATOM 0 H GLN A 119 -7.209 -4.832 8.537 1.00 0.22 H new ATOM 0 HA GLN A 119 -8.150 -6.391 10.867 1.00 0.29 H new ATOM 0 HB2 GLN A 119 -5.486 -4.986 10.418 1.00 0.36 H new ATOM 0 HB3 GLN A 119 -6.008 -5.627 11.963 1.00 0.36 H new ATOM 0 HG2 GLN A 119 -6.284 -7.887 10.682 1.00 0.56 H new ATOM 0 HG3 GLN A 119 -5.292 -7.136 9.448 1.00 0.56 H new ATOM 0 HE21 GLN A 119 -3.580 -8.598 9.764 1.00 0.36 H new ATOM 0 HE22 GLN A 119 -2.544 -8.523 11.193 1.00 0.36 H new ATOM 2023 N GLY A 120 -8.918 -3.560 10.298 1.00 0.26 N ATOM 2024 CA GLY A 120 -9.478 -2.306 10.777 1.00 0.25 C ATOM 2025 C GLY A 120 -8.532 -1.128 10.620 1.00 0.22 C ATOM 2026 O GLY A 120 -8.916 0.015 10.870 1.00 0.35 O ATOM 0 H GLY A 120 -9.215 -3.834 9.361 1.00 0.26 H new ATOM 0 HA2 GLY A 120 -10.400 -2.097 10.235 1.00 0.25 H new ATOM 0 HA3 GLY A 120 -9.743 -2.413 11.829 1.00 0.25 H new ATOM 2030 N HIS A 121 -7.296 -1.397 10.209 1.00 0.20 N ATOM 2031 CA HIS A 121 -6.310 -0.340 10.024 1.00 0.18 C ATOM 2032 C HIS A 121 -5.957 -0.181 8.553 1.00 0.17 C ATOM 2033 O HIS A 121 -5.758 -1.165 7.842 1.00 0.26 O ATOM 2034 CB HIS A 121 -5.046 -0.635 10.833 1.00 0.21 C ATOM 2035 CG HIS A 121 -5.212 -0.411 12.301 1.00 0.23 C ATOM 2036 ND1 HIS A 121 -5.171 -1.429 13.230 1.00 0.29 N ATOM 2037 CD2 HIS A 121 -5.417 0.727 13.000 1.00 0.24 C ATOM 2038 CE1 HIS A 121 -5.344 -0.925 14.439 1.00 0.32 C ATOM 2039 NE2 HIS A 121 -5.496 0.382 14.327 1.00 0.29 N ATOM 0 H HIS A 121 -6.955 -2.335 9.999 1.00 0.20 H new ATOM 0 HA HIS A 121 -6.748 0.592 10.381 1.00 0.18 H new ATOM 0 HB2 HIS A 121 -4.748 -1.670 10.663 1.00 0.21 H new ATOM 0 HB3 HIS A 121 -4.235 -0.006 10.467 1.00 0.21 H new ATOM 0 HD2 HIS A 121 -5.503 1.723 12.591 1.00 0.24 H new ATOM 0 HE1 HIS A 121 -5.359 -1.486 15.362 1.00 0.32 H new ATOM 0 HE2 HIS A 121 -5.647 1.030 15.100 1.00 0.29 H new ATOM 2048 N ILE A 122 -5.882 1.065 8.103 1.00 0.09 N ATOM 2049 CA ILE A 122 -5.554 1.345 6.716 1.00 0.08 C ATOM 2050 C ILE A 122 -4.767 2.644 6.588 1.00 0.08 C ATOM 2051 O ILE A 122 -4.933 3.566 7.386 1.00 0.12 O ATOM 2052 CB ILE A 122 -6.824 1.419 5.844 1.00 0.08 C ATOM 2053 CG1 ILE A 122 -6.453 1.393 4.367 1.00 0.09 C ATOM 2054 CG2 ILE A 122 -7.636 2.664 6.171 1.00 0.10 C ATOM 2055 CD1 ILE A 122 -7.593 0.959 3.474 1.00 0.12 C ATOM 0 H ILE A 122 -6.043 1.892 8.677 1.00 0.09 H new ATOM 0 HA ILE A 122 -4.934 0.522 6.361 1.00 0.08 H new ATOM 0 HB ILE A 122 -7.441 0.548 6.063 1.00 0.08 H new ATOM 0 HG12 ILE A 122 -6.121 2.386 4.065 1.00 0.09 H new ATOM 0 HG13 ILE A 122 -5.610 0.718 4.223 1.00 0.09 H new ATOM 0 HG21 ILE A 122 -8.526 2.693 5.543 1.00 0.10 H new ATOM 0 HG22 ILE A 122 -7.932 2.640 7.220 1.00 0.10 H new ATOM 0 HG23 ILE A 122 -7.032 3.552 5.985 1.00 0.10 H new ATOM 0 HD11 ILE A 122 -7.263 0.962 2.435 1.00 0.12 H new ATOM 0 HD12 ILE A 122 -7.910 -0.046 3.751 1.00 0.12 H new ATOM 0 HD13 ILE A 122 -8.429 1.648 3.591 1.00 0.12 H new ATOM 2067 N ILE A 123 -3.908 2.706 5.578 1.00 0.08 N ATOM 2068 CA ILE A 123 -3.093 3.885 5.345 1.00 0.08 C ATOM 2069 C ILE A 123 -3.606 4.685 4.157 1.00 0.08 C ATOM 2070 O ILE A 123 -3.568 4.221 3.017 1.00 0.09 O ATOM 2071 CB ILE A 123 -1.623 3.501 5.108 1.00 0.09 C ATOM 2072 CG1 ILE A 123 -1.096 2.728 6.314 1.00 0.10 C ATOM 2073 CG2 ILE A 123 -0.779 4.742 4.852 1.00 0.09 C ATOM 2074 CD1 ILE A 123 0.305 2.194 6.133 1.00 0.10 C ATOM 0 H ILE A 123 -3.760 1.951 4.908 1.00 0.08 H new ATOM 0 HA ILE A 123 -3.159 4.504 6.240 1.00 0.08 H new ATOM 0 HB ILE A 123 -1.559 2.866 4.225 1.00 0.09 H new ATOM 0 HG12 ILE A 123 -1.116 3.379 7.188 1.00 0.10 H new ATOM 0 HG13 ILE A 123 -1.768 1.895 6.522 1.00 0.10 H new ATOM 0 HG21 ILE A 123 0.258 4.449 4.687 1.00 0.09 H new ATOM 0 HG22 ILE A 123 -1.154 5.262 3.970 1.00 0.09 H new ATOM 0 HG23 ILE A 123 -0.835 5.405 5.715 1.00 0.09 H new ATOM 0 HD11 ILE A 123 0.609 1.657 7.032 1.00 0.10 H new ATOM 0 HD12 ILE A 123 0.329 1.516 5.280 1.00 0.10 H new ATOM 0 HD13 ILE A 123 0.990 3.023 5.957 1.00 0.10 H new ATOM 2086 N LEU A 124 -4.087 5.887 4.436 1.00 0.08 N ATOM 2087 CA LEU A 124 -4.606 6.761 3.395 1.00 0.09 C ATOM 2088 C LEU A 124 -3.495 7.644 2.842 1.00 0.09 C ATOM 2089 O LEU A 124 -2.766 8.283 3.600 1.00 0.09 O ATOM 2090 CB LEU A 124 -5.739 7.624 3.952 1.00 0.10 C ATOM 2091 CG LEU A 124 -6.860 6.847 4.648 1.00 0.11 C ATOM 2092 CD1 LEU A 124 -7.918 7.799 5.183 1.00 0.16 C ATOM 2093 CD2 LEU A 124 -7.481 5.836 3.694 1.00 0.13 C ATOM 0 H LEU A 124 -4.129 6.280 5.376 1.00 0.08 H new ATOM 0 HA LEU A 124 -4.997 6.146 2.584 1.00 0.09 H new ATOM 0 HB2 LEU A 124 -5.318 8.338 4.660 1.00 0.10 H new ATOM 0 HB3 LEU A 124 -6.171 8.202 3.135 1.00 0.10 H new ATOM 0 HG LEU A 124 -6.431 6.305 5.490 1.00 0.11 H new ATOM 0 HD11 LEU A 124 -8.706 7.228 5.674 1.00 0.16 H new ATOM 0 HD12 LEU A 124 -7.463 8.482 5.901 1.00 0.16 H new ATOM 0 HD13 LEU A 124 -8.344 8.370 4.358 1.00 0.16 H new ATOM 0 HD21 LEU A 124 -8.276 5.293 4.206 1.00 0.13 H new ATOM 0 HD22 LEU A 124 -7.895 6.357 2.831 1.00 0.13 H new ATOM 0 HD23 LEU A 124 -6.717 5.133 3.361 1.00 0.13 H new ATOM 2105 N ILE A 125 -3.368 7.679 1.520 1.00 0.10 N ATOM 2106 CA ILE A 125 -2.332 8.477 0.880 1.00 0.11 C ATOM 2107 C ILE A 125 -2.926 9.618 0.060 1.00 0.12 C ATOM 2108 O ILE A 125 -4.065 9.552 -0.401 1.00 0.17 O ATOM 2109 CB ILE A 125 -1.429 7.610 -0.028 1.00 0.12 C ATOM 2110 CG1 ILE A 125 -0.718 6.539 0.797 1.00 0.11 C ATOM 2111 CG2 ILE A 125 -0.410 8.467 -0.771 1.00 0.13 C ATOM 2112 CD1 ILE A 125 -1.566 5.318 1.070 1.00 0.11 C ATOM 0 H ILE A 125 -3.968 7.166 0.874 1.00 0.10 H new ATOM 0 HA ILE A 125 -1.727 8.899 1.682 1.00 0.11 H new ATOM 0 HB ILE A 125 -2.064 7.123 -0.768 1.00 0.12 H new ATOM 0 HG12 ILE A 125 0.187 6.232 0.274 1.00 0.11 H new ATOM 0 HG13 ILE A 125 -0.405 6.973 1.747 1.00 0.11 H new ATOM 0 HG21 ILE A 125 0.211 7.830 -1.401 1.00 0.13 H new ATOM 0 HG22 ILE A 125 -0.931 9.195 -1.392 1.00 0.13 H new ATOM 0 HG23 ILE A 125 0.220 8.989 -0.051 1.00 0.13 H new ATOM 0 HD11 ILE A 125 -0.994 4.602 1.660 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.459 5.611 1.621 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.857 4.859 0.125 1.00 0.11 H new ATOM 2124 N ALA A 126 -2.124 10.660 -0.109 1.00 0.12 N ATOM 2125 CA ALA A 126 -2.517 11.835 -0.868 1.00 0.14 C ATOM 2126 C ALA A 126 -1.277 12.581 -1.337 1.00 0.13 C ATOM 2127 O ALA A 126 -0.230 12.521 -0.695 1.00 0.21 O ATOM 2128 CB ALA A 126 -3.394 12.744 -0.025 1.00 0.17 C ATOM 0 H ALA A 126 -1.182 10.713 0.278 1.00 0.12 H new ATOM 0 HA ALA A 126 -3.092 11.518 -1.738 1.00 0.14 H new ATOM 0 HB1 ALA A 126 -3.679 13.619 -0.609 1.00 0.17 H new ATOM 0 HB2 ALA A 126 -4.290 12.204 0.280 1.00 0.17 H new ATOM 0 HB3 ALA A 126 -2.843 13.062 0.860 1.00 0.17 H new ATOM 2134 N SER A 127 -1.390 13.279 -2.454 1.00 0.19 N ATOM 2135 CA SER A 127 -0.261 14.024 -2.992 1.00 0.19 C ATOM 2136 C SER A 127 -0.597 15.498 -3.160 1.00 0.26 C ATOM 2137 O SER A 127 -1.730 15.861 -3.472 1.00 0.28 O ATOM 2138 CB SER A 127 0.180 13.429 -4.327 1.00 0.23 C ATOM 2139 OG SER A 127 1.284 14.136 -4.863 1.00 0.27 O ATOM 0 H SER A 127 -2.246 13.347 -3.004 1.00 0.19 H new ATOM 0 HA SER A 127 0.559 13.946 -2.279 1.00 0.19 H new ATOM 0 HB2 SER A 127 0.447 12.381 -4.191 1.00 0.23 H new ATOM 0 HB3 SER A 127 -0.650 13.457 -5.033 1.00 0.23 H new ATOM 0 HG SER A 127 1.547 13.733 -5.717 1.00 0.27 H new