USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 617 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 33 THR OG1 : rot 143:sc= 2.4 USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 1.01 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.818 K(o=2,f=-4.5!) USER MOD Set 2.2: A 25 TYR OH : rot -165:sc= 1.22 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.12) USER MOD Single : A 17 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.822 K(o=0.82,f=-1.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 71:sc= 1.27 USER MOD Single : A 65 GLN : amide:sc= 0.0256 X(o=0.026,f=-0.42) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.668 -12.499 1.702 1.00 0.00 N ATOM 67 CA PHE A 8 2.172 -11.122 1.652 1.00 0.00 C ATOM 68 C PHE A 8 1.090 -10.072 1.372 1.00 0.00 C ATOM 69 O PHE A 8 0.934 -9.121 2.133 1.00 0.00 O ATOM 70 CB PHE A 8 3.313 -11.012 0.628 1.00 0.00 C ATOM 71 CG PHE A 8 3.781 -9.584 0.439 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.592 -8.998 1.424 1.00 0.00 C ATOM 73 CD2 PHE A 8 3.322 -8.807 -0.646 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.920 -7.636 1.346 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.651 -7.445 -0.715 1.00 0.00 C ATOM 76 CZ PHE A 8 4.424 -6.854 0.294 1.00 0.00 C ATOM 0 HA PHE A 8 2.548 -10.899 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.152 -11.627 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.979 -11.412 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.964 -9.596 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.720 -9.259 -1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.555 -7.190 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.308 -6.850 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.637 -5.796 0.261 1.00 0.00 H new ATOM 86 N LYS A 9 0.330 -10.235 0.287 1.00 0.00 N ATOM 87 CA LYS A 9 -0.728 -9.311 -0.126 1.00 0.00 C ATOM 88 C LYS A 9 -1.732 -9.044 1.004 1.00 0.00 C ATOM 89 O LYS A 9 -2.170 -7.904 1.155 1.00 0.00 O ATOM 90 CB LYS A 9 -1.422 -9.964 -1.337 1.00 0.00 C ATOM 91 CG LYS A 9 -2.583 -9.226 -2.019 1.00 0.00 C ATOM 92 CD LYS A 9 -2.174 -8.290 -3.151 1.00 0.00 C ATOM 93 CE LYS A 9 -3.381 -7.931 -4.033 1.00 0.00 C ATOM 94 NZ LYS A 9 -4.438 -7.187 -3.315 1.00 0.00 N ATOM 0 H LYS A 9 0.435 -11.031 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.307 -8.339 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.659 -10.147 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.794 -10.937 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.282 -9.964 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.119 -8.649 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.739 -7.381 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.403 -8.764 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.038 -7.334 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.807 -8.847 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.287 -7.126 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.672 -7.683 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.099 -6.229 -3.095 1.00 0.00 H new ATOM 108 N ALA A 10 -2.125 -10.080 1.747 1.00 0.00 N ATOM 109 CA ALA A 10 -3.034 -9.992 2.877 1.00 0.00 C ATOM 110 C ALA A 10 -2.330 -9.326 4.046 1.00 0.00 C ATOM 111 O ALA A 10 -2.870 -8.363 4.585 1.00 0.00 O ATOM 112 CB ALA A 10 -3.518 -11.388 3.278 1.00 0.00 C ATOM 0 H ALA A 10 -1.805 -11.032 1.568 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.900 -9.394 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.198 -11.308 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.038 -11.848 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.663 -12.004 3.556 1.00 0.00 H new ATOM 118 N GLU A 11 -1.133 -9.793 4.419 1.00 0.00 N ATOM 119 CA GLU A 11 -0.362 -9.204 5.510 1.00 0.00 C ATOM 120 C GLU A 11 -0.189 -7.695 5.322 1.00 0.00 C ATOM 121 O GLU A 11 -0.214 -6.930 6.286 1.00 0.00 O ATOM 122 CB GLU A 11 1.041 -9.812 5.566 1.00 0.00 C ATOM 123 CG GLU A 11 1.216 -11.112 6.333 1.00 0.00 C ATOM 124 CD GLU A 11 1.117 -12.369 5.471 1.00 0.00 C ATOM 125 OE1 GLU A 11 2.085 -12.666 4.729 1.00 0.00 O ATOM 126 OE2 GLU A 11 0.099 -13.089 5.602 1.00 0.00 O ATOM 0 H GLU A 11 -0.676 -10.588 3.972 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.914 -9.408 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.376 -9.979 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.711 -9.071 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.187 -11.100 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.460 -11.162 7.117 1.00 0.00 H new ATOM 133 N LEU A 12 0.054 -7.274 4.086 1.00 0.00 N ATOM 134 CA LEU A 12 0.298 -5.896 3.711 1.00 0.00 C ATOM 135 C LEU A 12 -0.976 -5.065 3.839 1.00 0.00 C ATOM 136 O LEU A 12 -0.929 -3.954 4.364 1.00 0.00 O ATOM 137 CB LEU A 12 0.848 -5.901 2.285 1.00 0.00 C ATOM 138 CG LEU A 12 1.440 -4.544 1.871 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.785 -4.273 2.566 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.612 -4.551 0.353 1.00 0.00 C ATOM 0 H LEU A 12 0.087 -7.912 3.291 1.00 0.00 H new ATOM 0 HA LEU A 12 1.025 -5.433 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.617 -6.669 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.050 -6.170 1.593 1.00 0.00 H new ATOM 0 HG LEU A 12 0.764 -3.746 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.171 -3.305 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.642 -4.269 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.497 -5.053 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.031 -3.598 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.285 -5.359 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.643 -4.700 -0.122 1.00 0.00 H new ATOM 152 N ASN A 13 -2.115 -5.609 3.407 1.00 0.00 N ATOM 153 CA ASN A 13 -3.419 -4.971 3.572 1.00 0.00 C ATOM 154 C ASN A 13 -3.755 -4.824 5.058 1.00 0.00 C ATOM 155 O ASN A 13 -4.194 -3.764 5.506 1.00 0.00 O ATOM 156 CB ASN A 13 -4.482 -5.806 2.838 1.00 0.00 C ATOM 157 CG ASN A 13 -5.751 -5.017 2.535 1.00 0.00 C ATOM 158 OD1 ASN A 13 -5.748 -3.795 2.486 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.833 -5.694 2.214 1.00 0.00 N ATOM 0 H ASN A 13 -2.157 -6.510 2.930 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.398 -3.970 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.062 -6.181 1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.737 -6.675 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.676 -5.200 1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.828 -6.713 2.257 1.00 0.00 H new ATOM 166 N GLU A 14 -3.501 -5.874 5.841 1.00 0.00 N ATOM 167 CA GLU A 14 -3.673 -5.884 7.290 1.00 0.00 C ATOM 168 C GLU A 14 -2.750 -4.888 8.007 1.00 0.00 C ATOM 169 O GLU A 14 -3.136 -4.380 9.063 1.00 0.00 O ATOM 170 CB GLU A 14 -3.424 -7.299 7.830 1.00 0.00 C ATOM 171 CG GLU A 14 -4.520 -8.319 7.480 1.00 0.00 C ATOM 172 CD GLU A 14 -5.921 -7.993 8.006 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.046 -7.492 9.147 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.895 -8.306 7.279 1.00 0.00 O ATOM 0 H GLU A 14 -3.161 -6.763 5.473 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.698 -5.574 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.472 -7.660 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.326 -7.248 8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.571 -8.412 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.223 -9.293 7.870 1.00 0.00 H new ATOM 181 N PHE A 15 -1.557 -4.610 7.467 1.00 0.00 N ATOM 182 CA PHE A 15 -0.689 -3.543 7.962 1.00 0.00 C ATOM 183 C PHE A 15 -1.361 -2.200 7.672 1.00 0.00 C ATOM 184 O PHE A 15 -1.743 -1.490 8.601 1.00 0.00 O ATOM 185 CB PHE A 15 0.730 -3.659 7.361 1.00 0.00 C ATOM 186 CG PHE A 15 1.577 -2.402 7.485 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.239 -2.088 8.684 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.641 -1.490 6.415 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.967 -0.890 8.795 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.293 -0.253 6.562 1.00 0.00 C ATOM 191 CZ PHE A 15 2.984 0.033 7.744 1.00 0.00 C ATOM 0 H PHE A 15 -1.169 -5.121 6.674 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.554 -3.629 9.040 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.251 -4.482 7.851 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.643 -3.920 6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.189 -2.768 9.522 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.184 -1.743 5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.518 -0.681 9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.260 0.474 5.764 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.527 0.961 7.845 1.00 0.00 H new ATOM 201 N LEU A 16 -1.536 -1.883 6.386 1.00 0.00 N ATOM 202 CA LEU A 16 -1.937 -0.561 5.903 1.00 0.00 C ATOM 203 C LEU A 16 -3.249 -0.100 6.527 1.00 0.00 C ATOM 204 O LEU A 16 -3.413 1.092 6.766 1.00 0.00 O ATOM 205 CB LEU A 16 -2.114 -0.620 4.378 1.00 0.00 C ATOM 206 CG LEU A 16 -0.814 -0.707 3.571 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.105 -1.078 2.124 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.029 0.602 3.622 1.00 0.00 C ATOM 0 H LEU A 16 -1.399 -2.557 5.633 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.158 0.148 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.733 -1.484 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.663 0.266 4.058 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.203 -1.487 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.169 -1.135 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.606 -2.045 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.748 -0.320 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.886 0.501 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.636 1.407 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.225 0.834 4.656 1.00 0.00 H new ATOM 220 N THR A 17 -4.153 -1.040 6.808 1.00 0.00 N ATOM 221 CA THR A 17 -5.411 -0.785 7.494 1.00 0.00 C ATOM 222 C THR A 17 -5.215 0.103 8.734 1.00 0.00 C ATOM 223 O THR A 17 -5.970 1.052 8.909 1.00 0.00 O ATOM 224 CB THR A 17 -6.054 -2.141 7.827 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.410 -2.799 6.620 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.307 -2.027 8.691 1.00 0.00 C ATOM 0 H THR A 17 -4.023 -2.020 6.557 1.00 0.00 H new ATOM 0 HA THR A 17 -6.084 -0.222 6.847 1.00 0.00 H new ATOM 0 HB THR A 17 -5.312 -2.701 8.396 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.682 -3.394 6.345 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.706 -3.022 8.886 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.055 -1.546 9.636 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.056 -1.431 8.169 1.00 0.00 H new ATOM 234 N ARG A 18 -4.222 -0.181 9.585 1.00 0.00 N ATOM 235 CA ARG A 18 -3.980 0.599 10.791 1.00 0.00 C ATOM 236 C ARG A 18 -3.348 1.929 10.415 1.00 0.00 C ATOM 237 O ARG A 18 -3.875 2.980 10.783 1.00 0.00 O ATOM 238 CB ARG A 18 -3.078 -0.192 11.751 1.00 0.00 C ATOM 239 CG ARG A 18 -3.863 -1.193 12.603 1.00 0.00 C ATOM 240 CD ARG A 18 -4.569 -2.279 11.789 1.00 0.00 C ATOM 241 NE ARG A 18 -5.001 -3.408 12.619 1.00 0.00 N ATOM 242 CZ ARG A 18 -6.092 -3.478 13.391 1.00 0.00 C ATOM 243 NH1 ARG A 18 -6.879 -2.421 13.582 1.00 0.00 N ATOM 244 NH2 ARG A 18 -6.391 -4.635 13.970 1.00 0.00 N ATOM 0 H ARG A 18 -3.570 -0.955 9.453 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.924 0.797 11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.320 -0.725 11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.552 0.503 12.405 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.182 -1.667 13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.605 -0.652 13.190 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.435 -1.848 11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.897 -2.640 11.010 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.402 -4.234 12.607 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.656 -1.532 13.135 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.705 -2.501 14.175 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.794 -5.449 13.822 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.218 -4.710 14.562 1.00 0.00 H new ATOM 258 N GLU A 19 -2.215 1.883 9.718 1.00 0.00 N ATOM 259 CA GLU A 19 -1.399 3.041 9.383 1.00 0.00 C ATOM 260 C GLU A 19 -2.167 4.134 8.638 1.00 0.00 C ATOM 261 O GLU A 19 -1.792 5.305 8.713 1.00 0.00 O ATOM 262 CB GLU A 19 -0.192 2.559 8.564 1.00 0.00 C ATOM 263 CG GLU A 19 1.065 2.490 9.434 1.00 0.00 C ATOM 264 CD GLU A 19 0.952 1.491 10.591 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.307 0.430 10.461 1.00 0.00 O ATOM 266 OE2 GLU A 19 1.540 1.783 11.657 1.00 0.00 O ATOM 0 H GLU A 19 -1.830 1.009 9.361 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.073 3.506 10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.402 1.576 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.023 3.235 7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.915 2.216 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.273 3.481 9.838 1.00 0.00 H new ATOM 273 N LEU A 20 -3.225 3.771 7.918 1.00 0.00 N ATOM 274 CA LEU A 20 -3.985 4.659 7.058 1.00 0.00 C ATOM 275 C LEU A 20 -5.466 4.674 7.442 1.00 0.00 C ATOM 276 O LEU A 20 -6.299 5.092 6.632 1.00 0.00 O ATOM 277 CB LEU A 20 -3.752 4.228 5.604 1.00 0.00 C ATOM 278 CG LEU A 20 -2.291 4.339 5.140 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.217 3.827 3.705 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.776 5.780 5.220 1.00 0.00 C ATOM 0 H LEU A 20 -3.585 2.817 7.921 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.645 5.687 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.082 3.196 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.376 4.839 4.951 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.657 3.743 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.189 3.894 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.546 2.788 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.862 4.433 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.740 5.815 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.386 6.420 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.835 6.131 6.250 1.00 0.00 H new ATOM 292 N ALA A 21 -5.793 4.236 8.669 1.00 0.00 N ATOM 293 CA ALA A 21 -7.163 4.053 9.128 1.00 0.00 C ATOM 294 C ALA A 21 -7.981 5.332 8.938 1.00 0.00 C ATOM 295 O ALA A 21 -8.904 5.362 8.123 1.00 0.00 O ATOM 296 CB ALA A 21 -7.151 3.636 10.610 1.00 0.00 C ATOM 0 H ALA A 21 -5.096 3.998 9.374 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.633 3.269 8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.175 3.498 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.601 2.701 10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.668 4.413 11.203 1.00 0.00 H new ATOM 302 N GLU A 22 -7.628 6.418 9.633 1.00 0.00 N ATOM 303 CA GLU A 22 -8.315 7.704 9.497 1.00 0.00 C ATOM 304 C GLU A 22 -8.012 8.356 8.147 1.00 0.00 C ATOM 305 O GLU A 22 -8.816 9.157 7.675 1.00 0.00 O ATOM 306 CB GLU A 22 -7.941 8.640 10.662 1.00 0.00 C ATOM 307 CG GLU A 22 -9.042 8.702 11.736 1.00 0.00 C ATOM 308 CD GLU A 22 -10.244 9.545 11.291 1.00 0.00 C ATOM 309 OE1 GLU A 22 -10.126 10.785 11.218 1.00 0.00 O ATOM 310 OE2 GLU A 22 -11.319 8.979 10.973 1.00 0.00 O ATOM 0 H GLU A 22 -6.860 6.429 10.304 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.389 7.520 9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.011 8.297 11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.756 9.642 10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.377 7.691 11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.628 9.120 12.654 1.00 0.00 H new ATOM 317 N ASP A 23 -6.906 7.986 7.501 1.00 0.00 N ATOM 318 CA ASP A 23 -6.454 8.615 6.267 1.00 0.00 C ATOM 319 C ASP A 23 -7.438 8.383 5.128 1.00 0.00 C ATOM 320 O ASP A 23 -7.448 9.190 4.201 1.00 0.00 O ATOM 321 CB ASP A 23 -5.073 8.103 5.824 1.00 0.00 C ATOM 322 CG ASP A 23 -3.926 8.532 6.747 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.095 8.534 7.984 1.00 0.00 O ATOM 324 OD2 ASP A 23 -2.851 8.897 6.233 1.00 0.00 O ATOM 0 H ASP A 23 -6.296 7.235 7.825 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.386 9.680 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.099 7.014 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.869 8.463 4.816 1.00 0.00 H new ATOM 329 N GLY A 24 -8.258 7.321 5.170 1.00 0.00 N ATOM 330 CA GLY A 24 -9.234 7.031 4.120 1.00 0.00 C ATOM 331 C GLY A 24 -9.018 5.703 3.394 1.00 0.00 C ATOM 332 O GLY A 24 -9.387 5.581 2.222 1.00 0.00 O ATOM 0 H GLY A 24 -8.259 6.644 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.231 7.030 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.209 7.838 3.387 1.00 0.00 H new ATOM 336 N TYR A 25 -8.371 4.727 4.036 1.00 0.00 N ATOM 337 CA TYR A 25 -7.901 3.524 3.371 1.00 0.00 C ATOM 338 C TYR A 25 -9.050 2.681 2.807 1.00 0.00 C ATOM 339 O TYR A 25 -10.223 2.857 3.159 1.00 0.00 O ATOM 340 CB TYR A 25 -7.035 2.735 4.361 1.00 0.00 C ATOM 341 CG TYR A 25 -6.292 1.560 3.761 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.333 1.768 2.750 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.576 0.257 4.205 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.668 0.667 2.178 1.00 0.00 C ATOM 345 CE2 TYR A 25 -5.902 -0.843 3.647 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.954 -0.625 2.627 1.00 0.00 C ATOM 347 OH TYR A 25 -4.300 -1.653 2.049 1.00 0.00 O ATOM 0 H TYR A 25 -8.161 4.755 5.034 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.301 3.803 2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.310 3.414 4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.671 2.371 5.168 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.109 2.770 2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.314 0.101 4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.940 0.820 1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.108 -1.844 3.996 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.753 -2.494 2.268 1.00 0.00 H new ATOM 357 N SER A 26 -8.691 1.742 1.931 1.00 0.00 N ATOM 358 CA SER A 26 -9.573 0.716 1.413 1.00 0.00 C ATOM 359 C SER A 26 -8.798 -0.569 1.149 1.00 0.00 C ATOM 360 O SER A 26 -9.217 -1.637 1.605 1.00 0.00 O ATOM 361 CB SER A 26 -10.265 1.213 0.136 1.00 0.00 C ATOM 362 OG SER A 26 -11.599 1.564 0.431 1.00 0.00 O ATOM 0 H SER A 26 -7.745 1.680 1.555 1.00 0.00 H new ATOM 0 HA SER A 26 -10.339 0.499 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.732 2.074 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.242 0.436 -0.629 1.00 0.00 H new ATOM 0 HG SER A 26 -12.041 1.883 -0.383 1.00 0.00 H new ATOM 368 N GLY A 27 -7.703 -0.517 0.393 1.00 0.00 N ATOM 369 CA GLY A 27 -7.027 -1.729 -0.036 1.00 0.00 C ATOM 370 C GLY A 27 -5.723 -1.416 -0.738 1.00 0.00 C ATOM 371 O GLY A 27 -5.266 -0.276 -0.738 1.00 0.00 O ATOM 0 H GLY A 27 -7.271 0.348 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.833 -2.364 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.677 -2.292 -0.706 1.00 0.00 H new ATOM 375 N VAL A 28 -5.102 -2.437 -1.316 1.00 0.00 N ATOM 376 CA VAL A 28 -3.775 -2.325 -1.886 1.00 0.00 C ATOM 377 C VAL A 28 -3.663 -3.315 -3.031 1.00 0.00 C ATOM 378 O VAL A 28 -4.057 -4.481 -2.914 1.00 0.00 O ATOM 379 CB VAL A 28 -2.723 -2.517 -0.773 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.877 -3.836 0.013 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.289 -2.417 -1.291 1.00 0.00 C ATOM 0 H VAL A 28 -5.511 -3.368 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.589 -1.335 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.918 -1.691 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.102 -3.897 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.857 -3.864 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.781 -4.680 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.593 -2.560 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.120 -3.186 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.130 -1.434 -1.734 1.00 0.00 H new ATOM 391 N GLU A 29 -3.120 -2.855 -4.145 1.00 0.00 N ATOM 392 CA GLU A 29 -2.630 -3.688 -5.224 1.00 0.00 C ATOM 393 C GLU A 29 -1.116 -3.774 -5.092 1.00 0.00 C ATOM 394 O GLU A 29 -0.480 -2.993 -4.385 1.00 0.00 O ATOM 395 CB GLU A 29 -3.046 -3.108 -6.582 1.00 0.00 C ATOM 396 CG GLU A 29 -4.505 -3.467 -6.874 1.00 0.00 C ATOM 397 CD GLU A 29 -4.974 -2.938 -8.228 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.226 -3.119 -9.218 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.099 -2.406 -8.328 1.00 0.00 O ATOM 0 H GLU A 29 -3.005 -1.858 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.060 -4.688 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.922 -2.025 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.401 -3.500 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.622 -4.550 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.141 -3.060 -6.088 1.00 0.00 H new ATOM 406 N VAL A 30 -0.542 -4.773 -5.748 1.00 0.00 N ATOM 407 CA VAL A 30 0.882 -5.034 -5.722 1.00 0.00 C ATOM 408 C VAL A 30 1.264 -5.510 -7.120 1.00 0.00 C ATOM 409 O VAL A 30 0.470 -6.196 -7.783 1.00 0.00 O ATOM 410 CB VAL A 30 1.194 -6.015 -4.566 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.624 -7.430 -4.753 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.693 -6.102 -4.266 1.00 0.00 C ATOM 0 H VAL A 30 -1.066 -5.434 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 30 1.491 -4.156 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 30 0.677 -5.578 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.892 -8.047 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.462 -7.377 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.036 -7.871 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.860 -6.803 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.222 -6.448 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.065 -5.117 -3.982 1.00 0.00 H new ATOM 422 N ARG A 31 2.458 -5.149 -7.580 1.00 0.00 N ATOM 423 CA ARG A 31 2.993 -5.567 -8.871 1.00 0.00 C ATOM 424 C ARG A 31 4.286 -6.334 -8.628 1.00 0.00 C ATOM 425 O ARG A 31 4.868 -6.251 -7.541 1.00 0.00 O ATOM 426 CB ARG A 31 3.157 -4.337 -9.793 1.00 0.00 C ATOM 427 CG ARG A 31 2.501 -4.566 -11.156 1.00 0.00 C ATOM 428 CD ARG A 31 2.514 -3.301 -12.022 1.00 0.00 C ATOM 429 NE ARG A 31 1.820 -3.562 -13.292 1.00 0.00 N ATOM 430 CZ ARG A 31 1.190 -2.679 -14.073 1.00 0.00 C ATOM 431 NH1 ARG A 31 1.218 -1.378 -13.819 1.00 0.00 N ATOM 432 NH2 ARG A 31 0.525 -3.124 -15.130 1.00 0.00 N ATOM 0 H ARG A 31 3.093 -4.546 -7.056 1.00 0.00 H new ATOM 0 HA ARG A 31 2.310 -6.239 -9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.713 -3.463 -9.317 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.217 -4.122 -9.930 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.022 -5.368 -11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.472 -4.896 -11.012 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.028 -2.481 -11.493 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.541 -2.991 -12.215 1.00 0.00 H new ATOM 0 HE ARG A 31 1.819 -4.530 -13.614 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.730 -1.027 -13.010 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.728 -0.728 -14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.501 -4.123 -15.334 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.037 -2.467 -15.739 1.00 0.00 H new ATOM 446 N VAL A 32 4.705 -7.124 -9.610 1.00 0.00 N ATOM 447 CA VAL A 32 5.882 -7.975 -9.521 1.00 0.00 C ATOM 448 C VAL A 32 6.567 -7.893 -10.880 1.00 0.00 C ATOM 449 O VAL A 32 5.941 -8.192 -11.898 1.00 0.00 O ATOM 450 CB VAL A 32 5.447 -9.386 -9.062 1.00 0.00 C ATOM 451 CG1 VAL A 32 4.620 -10.178 -10.078 1.00 0.00 C ATOM 452 CG2 VAL A 32 6.641 -10.215 -8.598 1.00 0.00 C ATOM 0 H VAL A 32 4.225 -7.191 -10.508 1.00 0.00 H new ATOM 0 HA VAL A 32 6.612 -7.663 -8.774 1.00 0.00 H new ATOM 0 HB VAL A 32 4.778 -9.197 -8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.366 -11.152 -9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.705 -9.632 -10.307 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.199 -10.315 -10.991 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.299 -11.201 -8.282 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.350 -10.323 -9.419 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.128 -9.715 -7.761 1.00 0.00 H new ATOM 462 N THR A 33 7.780 -7.356 -10.951 1.00 0.00 N ATOM 463 CA THR A 33 8.429 -7.015 -12.215 1.00 0.00 C ATOM 464 C THR A 33 9.762 -7.784 -12.344 1.00 0.00 C ATOM 465 O THR A 33 10.158 -8.515 -11.429 1.00 0.00 O ATOM 466 CB THR A 33 8.538 -5.482 -12.328 1.00 0.00 C ATOM 467 OG1 THR A 33 9.653 -5.060 -11.593 1.00 0.00 O ATOM 468 CG2 THR A 33 7.303 -4.710 -11.864 1.00 0.00 C ATOM 0 H THR A 33 8.345 -7.143 -10.129 1.00 0.00 H new ATOM 0 HA THR A 33 7.836 -7.334 -13.072 1.00 0.00 H new ATOM 0 HB THR A 33 8.635 -5.260 -13.391 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.094 -4.322 -12.063 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.477 -3.640 -11.982 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.442 -5.006 -12.464 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.108 -4.932 -10.815 1.00 0.00 H new ATOM 476 N PRO A 34 10.495 -7.667 -13.464 1.00 0.00 N ATOM 477 CA PRO A 34 11.874 -8.126 -13.542 1.00 0.00 C ATOM 478 C PRO A 34 12.839 -7.123 -12.885 1.00 0.00 C ATOM 479 O PRO A 34 14.046 -7.214 -13.109 1.00 0.00 O ATOM 480 CB PRO A 34 12.120 -8.322 -15.039 1.00 0.00 C ATOM 481 CG PRO A 34 11.272 -7.243 -15.699 1.00 0.00 C ATOM 482 CD PRO A 34 10.118 -7.032 -14.720 1.00 0.00 C ATOM 0 HA PRO A 34 12.050 -9.051 -12.993 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.175 -8.208 -15.288 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.822 -9.318 -15.365 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.840 -6.325 -15.850 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.913 -7.560 -16.678 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.929 -5.969 -14.572 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.198 -7.468 -15.110 1.00 0.00 H new ATOM 490 N THR A 35 12.345 -6.132 -12.132 1.00 0.00 N ATOM 491 CA THR A 35 13.136 -5.014 -11.631 1.00 0.00 C ATOM 492 C THR A 35 12.991 -4.822 -10.115 1.00 0.00 C ATOM 493 O THR A 35 13.997 -4.652 -9.419 1.00 0.00 O ATOM 494 CB THR A 35 12.814 -3.745 -12.451 1.00 0.00 C ATOM 495 OG1 THR A 35 11.497 -3.257 -12.290 1.00 0.00 O ATOM 496 CG2 THR A 35 12.915 -3.996 -13.950 1.00 0.00 C ATOM 0 H THR A 35 11.365 -6.089 -11.852 1.00 0.00 H new ATOM 0 HA THR A 35 14.193 -5.239 -11.773 1.00 0.00 H new ATOM 0 HB THR A 35 13.546 -3.031 -12.073 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.376 -2.455 -12.840 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.681 -3.078 -14.489 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.927 -4.314 -14.198 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.209 -4.775 -14.237 1.00 0.00 H new ATOM 504 N ARG A 36 11.753 -4.777 -9.605 1.00 0.00 N ATOM 505 CA ARG A 36 11.396 -4.390 -8.242 1.00 0.00 C ATOM 506 C ARG A 36 9.976 -4.869 -7.911 1.00 0.00 C ATOM 507 O ARG A 36 9.259 -5.363 -8.779 1.00 0.00 O ATOM 508 CB ARG A 36 11.564 -2.865 -8.063 1.00 0.00 C ATOM 509 CG ARG A 36 11.117 -1.977 -9.236 1.00 0.00 C ATOM 510 CD ARG A 36 11.126 -0.508 -8.809 1.00 0.00 C ATOM 511 NE ARG A 36 11.311 0.423 -9.927 1.00 0.00 N ATOM 512 CZ ARG A 36 11.314 1.756 -9.825 1.00 0.00 C ATOM 513 NH1 ARG A 36 11.059 2.352 -8.664 1.00 0.00 N ATOM 514 NH2 ARG A 36 11.574 2.489 -10.899 1.00 0.00 N ATOM 0 H ARG A 36 10.936 -5.023 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 36 12.070 -4.873 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.006 -2.563 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.616 -2.660 -7.863 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.782 -2.122 -10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.117 -2.264 -9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.187 -0.278 -8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.923 -0.354 -8.082 1.00 0.00 H new ATOM 0 HE ARG A 36 11.448 0.022 -10.855 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.858 1.791 -7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.065 3.370 -8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.769 2.035 -11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.579 3.507 -10.833 1.00 0.00 H new ATOM 528 N THR A 37 9.549 -4.710 -6.664 1.00 0.00 N ATOM 529 CA THR A 37 8.149 -4.811 -6.279 1.00 0.00 C ATOM 530 C THR A 37 7.574 -3.390 -6.192 1.00 0.00 C ATOM 531 O THR A 37 8.273 -2.429 -5.859 1.00 0.00 O ATOM 532 CB THR A 37 8.069 -5.614 -4.970 1.00 0.00 C ATOM 533 OG1 THR A 37 8.535 -6.921 -5.253 1.00 0.00 O ATOM 534 CG2 THR A 37 6.650 -5.738 -4.406 1.00 0.00 C ATOM 0 H THR A 37 10.173 -4.505 -5.884 1.00 0.00 H new ATOM 0 HA THR A 37 7.542 -5.347 -7.009 1.00 0.00 H new ATOM 0 HB THR A 37 8.665 -5.088 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.500 -7.464 -4.438 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.675 -6.317 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.252 -4.744 -4.200 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.012 -6.241 -5.133 1.00 0.00 H new ATOM 542 N GLU A 38 6.284 -3.268 -6.483 1.00 0.00 N ATOM 543 CA GLU A 38 5.499 -2.043 -6.464 1.00 0.00 C ATOM 544 C GLU A 38 4.313 -2.326 -5.552 1.00 0.00 C ATOM 545 O GLU A 38 3.777 -3.440 -5.585 1.00 0.00 O ATOM 546 CB GLU A 38 4.975 -1.744 -7.870 1.00 0.00 C ATOM 547 CG GLU A 38 6.040 -1.548 -8.961 1.00 0.00 C ATOM 548 CD GLU A 38 5.398 -1.363 -10.343 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.304 -0.757 -10.435 1.00 0.00 O ATOM 550 OE2 GLU A 38 5.979 -1.825 -11.349 1.00 0.00 O ATOM 0 H GLU A 38 5.724 -4.076 -6.756 1.00 0.00 H new ATOM 0 HA GLU A 38 6.092 -1.194 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.320 -2.561 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.362 -0.844 -7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.651 -0.678 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.707 -2.410 -8.980 1.00 0.00 H new ATOM 557 N ILE A 39 3.893 -1.339 -4.767 1.00 0.00 N ATOM 558 CA ILE A 39 2.764 -1.409 -3.849 1.00 0.00 C ATOM 559 C ILE A 39 1.913 -0.186 -4.176 1.00 0.00 C ATOM 560 O ILE A 39 2.442 0.921 -4.193 1.00 0.00 O ATOM 561 CB ILE A 39 3.272 -1.411 -2.387 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.179 -2.629 -2.083 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.073 -1.390 -1.426 1.00 0.00 C ATOM 564 CD1 ILE A 39 4.919 -2.551 -0.741 1.00 0.00 C ATOM 0 H ILE A 39 4.352 -0.428 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 39 2.178 -2.321 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 39 3.878 -0.516 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.569 -3.532 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.913 -2.729 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.432 -1.391 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.481 -0.492 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.455 -2.272 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.530 -3.444 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.559 -1.669 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.195 -2.485 0.071 1.00 0.00 H new ATOM 576 N ILE A 40 0.625 -0.362 -4.461 1.00 0.00 N ATOM 577 CA ILE A 40 -0.264 0.701 -4.898 1.00 0.00 C ATOM 578 C ILE A 40 -1.426 0.714 -3.910 1.00 0.00 C ATOM 579 O ILE A 40 -2.326 -0.125 -3.981 1.00 0.00 O ATOM 580 CB ILE A 40 -0.678 0.490 -6.375 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.521 0.419 -7.356 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.577 1.660 -6.803 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.143 -0.968 -7.564 1.00 0.00 C ATOM 0 H ILE A 40 0.164 -1.269 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 40 0.212 1.681 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.191 -0.470 -6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.194 0.797 -8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.299 1.093 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.878 1.527 -7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.464 1.688 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.028 2.596 -6.701 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.971 -0.893 -8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.511 -1.348 -6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.390 -1.649 -7.960 1.00 0.00 H new ATOM 595 N ILE A 41 -1.358 1.607 -2.925 1.00 0.00 N ATOM 596 CA ILE A 41 -2.371 1.756 -1.892 1.00 0.00 C ATOM 597 C ILE A 41 -3.548 2.501 -2.514 1.00 0.00 C ATOM 598 O ILE A 41 -3.379 3.595 -3.058 1.00 0.00 O ATOM 599 CB ILE A 41 -1.782 2.486 -0.671 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.654 1.651 -0.018 1.00 0.00 C ATOM 601 CG2 ILE A 41 -2.876 2.800 0.374 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.753 1.955 -0.519 1.00 0.00 C ATOM 0 H ILE A 41 -0.580 2.259 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.717 0.789 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.362 3.427 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.681 1.813 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.862 0.594 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.430 3.315 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.638 3.436 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.333 1.870 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.469 1.318 -0.000 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.807 1.764 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.990 3.001 -0.325 1.00 0.00 H new ATOM 614 N LEU A 42 -4.731 1.903 -2.400 1.00 0.00 N ATOM 615 CA LEU A 42 -6.014 2.415 -2.837 1.00 0.00 C ATOM 616 C LEU A 42 -6.676 3.064 -1.624 1.00 0.00 C ATOM 617 O LEU A 42 -7.089 2.355 -0.696 1.00 0.00 O ATOM 618 CB LEU A 42 -6.893 1.266 -3.373 1.00 0.00 C ATOM 619 CG LEU A 42 -6.253 0.445 -4.514 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.027 -0.854 -4.710 1.00 0.00 C ATOM 621 CD2 LEU A 42 -6.227 1.197 -5.845 1.00 0.00 C ATOM 0 H LEU A 42 -4.817 0.983 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.887 3.139 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.131 0.594 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.836 1.682 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.222 0.250 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.572 -1.430 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.001 -1.436 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.062 -0.626 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.766 0.570 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.246 1.443 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.650 2.115 -5.733 1.00 0.00 H new ATOM 633 N ALA A 43 -6.752 4.393 -1.605 1.00 0.00 N ATOM 634 CA ALA A 43 -7.446 5.145 -0.567 1.00 0.00 C ATOM 635 C ALA A 43 -8.167 6.351 -1.175 1.00 0.00 C ATOM 636 O ALA A 43 -7.985 6.724 -2.339 1.00 0.00 O ATOM 637 CB ALA A 43 -6.461 5.590 0.524 1.00 0.00 C ATOM 0 H ALA A 43 -6.327 4.984 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.192 4.497 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.996 6.150 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.996 4.713 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.691 6.223 0.083 1.00 0.00 H new ATOM 643 N THR A 44 -9.031 6.975 -0.386 1.00 0.00 N ATOM 644 CA THR A 44 -9.876 8.065 -0.855 1.00 0.00 C ATOM 645 C THR A 44 -9.109 9.387 -0.927 1.00 0.00 C ATOM 646 O THR A 44 -9.474 10.263 -1.723 1.00 0.00 O ATOM 647 CB THR A 44 -11.088 8.171 0.080 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.684 8.219 1.424 1.00 0.00 O ATOM 649 CG2 THR A 44 -11.962 6.931 -0.061 1.00 0.00 C ATOM 0 H THR A 44 -9.166 6.740 0.597 1.00 0.00 H new ATOM 0 HA THR A 44 -10.211 7.853 -1.870 1.00 0.00 H new ATOM 0 HB THR A 44 -11.627 9.078 -0.193 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.473 8.288 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.820 7.013 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.309 6.846 -1.091 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.383 6.046 0.201 1.00 0.00 H new ATOM 657 N ARG A 45 -8.066 9.545 -0.105 1.00 0.00 N ATOM 658 CA ARG A 45 -7.371 10.799 0.158 1.00 0.00 C ATOM 659 C ARG A 45 -5.880 10.558 -0.038 1.00 0.00 C ATOM 660 O ARG A 45 -5.136 10.403 0.929 1.00 0.00 O ATOM 661 CB ARG A 45 -7.697 11.315 1.578 1.00 0.00 C ATOM 662 CG ARG A 45 -9.187 11.330 1.966 1.00 0.00 C ATOM 663 CD ARG A 45 -10.004 12.313 1.127 1.00 0.00 C ATOM 664 NE ARG A 45 -9.761 13.695 1.549 1.00 0.00 N ATOM 665 CZ ARG A 45 -10.274 14.793 0.991 1.00 0.00 C ATOM 666 NH1 ARG A 45 -10.858 14.759 -0.202 1.00 0.00 N ATOM 667 NH2 ARG A 45 -10.215 15.943 1.646 1.00 0.00 N ATOM 0 H ARG A 45 -7.669 8.763 0.416 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.701 11.575 -0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.161 10.698 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.307 12.328 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.599 10.328 1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.281 11.592 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.745 12.200 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.065 12.082 1.221 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.140 13.831 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.922 13.879 -0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.242 15.613 -0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.780 15.983 2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.604 16.788 1.228 1.00 0.00 H new ATOM 681 N THR A 46 -5.437 10.558 -1.290 1.00 0.00 N ATOM 682 CA THR A 46 -4.037 10.403 -1.667 1.00 0.00 C ATOM 683 C THR A 46 -3.133 11.346 -0.859 1.00 0.00 C ATOM 684 O THR A 46 -2.048 10.955 -0.432 1.00 0.00 O ATOM 685 CB THR A 46 -3.913 10.652 -3.182 1.00 0.00 C ATOM 686 OG1 THR A 46 -4.715 11.761 -3.556 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.385 9.458 -4.013 1.00 0.00 C ATOM 0 H THR A 46 -6.058 10.669 -2.092 1.00 0.00 H new ATOM 0 HA THR A 46 -3.703 9.391 -1.439 1.00 0.00 H new ATOM 0 HB THR A 46 -2.856 10.830 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.631 11.915 -4.520 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.276 9.687 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.783 8.583 -3.767 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.432 9.252 -3.792 1.00 0.00 H new ATOM 695 N GLN A 47 -3.579 12.580 -0.610 1.00 0.00 N ATOM 696 CA GLN A 47 -2.824 13.570 0.139 1.00 0.00 C ATOM 697 C GLN A 47 -2.592 13.144 1.591 1.00 0.00 C ATOM 698 O GLN A 47 -1.490 13.361 2.086 1.00 0.00 O ATOM 699 CB GLN A 47 -3.553 14.911 0.039 1.00 0.00 C ATOM 700 CG GLN A 47 -2.831 16.071 0.737 1.00 0.00 C ATOM 701 CD GLN A 47 -3.748 17.280 0.884 1.00 0.00 C ATOM 702 OE1 GLN A 47 -4.408 17.712 -0.062 1.00 0.00 O ATOM 703 NE2 GLN A 47 -3.806 17.856 2.073 1.00 0.00 N ATOM 0 H GLN A 47 -4.487 12.917 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.829 13.668 -0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.687 15.162 -1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.548 14.804 0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.487 15.750 1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.946 16.349 0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.253 17.486 2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.404 18.670 2.217 1.00 0.00 H new ATOM 712 N ASN A 48 -3.572 12.537 2.269 1.00 0.00 N ATOM 713 CA ASN A 48 -3.387 12.060 3.644 1.00 0.00 C ATOM 714 C ASN A 48 -2.258 11.033 3.671 1.00 0.00 C ATOM 715 O ASN A 48 -1.350 11.130 4.499 1.00 0.00 O ATOM 716 CB ASN A 48 -4.659 11.401 4.211 1.00 0.00 C ATOM 717 CG ASN A 48 -5.653 12.335 4.884 1.00 0.00 C ATOM 718 OD1 ASN A 48 -5.300 13.403 5.379 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.904 11.912 4.970 1.00 0.00 N ATOM 0 H ASN A 48 -4.502 12.364 1.888 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.150 12.927 4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.170 10.885 3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.359 10.641 4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.601 12.476 5.456 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.171 11.022 4.550 1.00 0.00 H new ATOM 726 N VAL A 49 -2.329 10.067 2.751 1.00 0.00 N ATOM 727 CA VAL A 49 -1.425 8.930 2.666 1.00 0.00 C ATOM 728 C VAL A 49 -0.005 9.389 2.315 1.00 0.00 C ATOM 729 O VAL A 49 0.970 8.921 2.906 1.00 0.00 O ATOM 730 CB VAL A 49 -1.978 7.933 1.627 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.091 6.693 1.565 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.413 7.486 1.932 1.00 0.00 C ATOM 0 H VAL A 49 -3.043 10.060 2.023 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.364 8.432 3.634 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.983 8.459 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.491 5.996 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.080 6.983 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.068 6.213 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.746 6.786 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.443 6.999 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.071 8.355 1.940 1.00 0.00 H new ATOM 742 N LEU A 50 0.132 10.312 1.356 1.00 0.00 N ATOM 743 CA LEU A 50 1.417 10.913 1.016 1.00 0.00 C ATOM 744 C LEU A 50 1.927 11.748 2.190 1.00 0.00 C ATOM 745 O LEU A 50 3.125 11.764 2.462 1.00 0.00 O ATOM 746 CB LEU A 50 1.290 11.777 -0.252 1.00 0.00 C ATOM 747 CG LEU A 50 1.018 10.955 -1.532 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.519 11.865 -2.660 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.269 10.216 -2.005 1.00 0.00 C ATOM 0 H LEU A 50 -0.647 10.660 0.797 1.00 0.00 H new ATOM 0 HA LEU A 50 2.136 10.119 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.483 12.496 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.208 12.350 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 50 0.252 10.220 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.333 11.269 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.405 12.354 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.274 12.620 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.038 9.649 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.057 10.937 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.606 9.534 -1.224 1.00 0.00 H new ATOM 761 N GLY A 51 1.026 12.421 2.901 1.00 0.00 N ATOM 762 CA GLY A 51 1.333 13.445 3.876 1.00 0.00 C ATOM 763 C GLY A 51 1.707 14.750 3.182 1.00 0.00 C ATOM 764 O GLY A 51 1.836 14.831 1.951 1.00 0.00 O ATOM 0 H GLY A 51 0.024 12.256 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.473 13.606 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.155 13.116 4.511 1.00 0.00 H new ATOM 768 N GLU A 52 1.920 15.781 3.998 1.00 0.00 N ATOM 769 CA GLU A 52 2.539 17.020 3.557 1.00 0.00 C ATOM 770 C GLU A 52 3.883 16.646 2.934 1.00 0.00 C ATOM 771 O GLU A 52 4.666 15.933 3.565 1.00 0.00 O ATOM 772 CB GLU A 52 2.720 17.946 4.768 1.00 0.00 C ATOM 773 CG GLU A 52 3.426 19.274 4.440 1.00 0.00 C ATOM 774 CD GLU A 52 4.305 19.700 5.613 1.00 0.00 C ATOM 775 OE1 GLU A 52 5.412 19.141 5.782 1.00 0.00 O ATOM 776 OE2 GLU A 52 3.871 20.503 6.465 1.00 0.00 O ATOM 0 H GLU A 52 1.666 15.776 4.986 1.00 0.00 H new ATOM 0 HA GLU A 52 1.928 17.548 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.741 18.163 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.293 17.421 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.033 19.161 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.686 20.047 4.229 1.00 0.00 H new ATOM 783 N LYS A 53 4.152 17.109 1.707 1.00 0.00 N ATOM 784 CA LYS A 53 5.461 16.977 1.057 1.00 0.00 C ATOM 785 C LYS A 53 6.004 15.537 1.094 1.00 0.00 C ATOM 786 O LYS A 53 7.195 15.316 1.311 1.00 0.00 O ATOM 787 CB LYS A 53 6.411 18.013 1.686 1.00 0.00 C ATOM 788 CG LYS A 53 6.050 19.462 1.311 1.00 0.00 C ATOM 789 CD LYS A 53 6.659 19.845 -0.045 1.00 0.00 C ATOM 790 CE LYS A 53 6.805 21.360 -0.205 1.00 0.00 C ATOM 791 NZ LYS A 53 8.027 21.871 0.456 1.00 0.00 N ATOM 0 H LYS A 53 3.460 17.590 1.132 1.00 0.00 H new ATOM 0 HA LYS A 53 5.367 17.187 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.389 17.907 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.432 17.804 1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.966 19.572 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.412 20.142 2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.637 19.374 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.031 19.455 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.834 21.612 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.930 21.855 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.088 22.901 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.989 21.654 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.864 21.418 0.037 1.00 0.00 H new ATOM 805 N GLY A 54 5.122 14.548 0.913 1.00 0.00 N ATOM 806 CA GLY A 54 5.491 13.142 0.807 1.00 0.00 C ATOM 807 C GLY A 54 5.969 12.524 2.126 1.00 0.00 C ATOM 808 O GLY A 54 6.456 11.393 2.128 1.00 0.00 O ATOM 0 H GLY A 54 4.118 14.710 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.633 12.578 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.280 13.039 0.062 1.00 0.00 H new ATOM 812 N ARG A 55 5.819 13.222 3.260 1.00 0.00 N ATOM 813 CA ARG A 55 6.325 12.768 4.551 1.00 0.00 C ATOM 814 C ARG A 55 5.885 11.359 4.905 1.00 0.00 C ATOM 815 O ARG A 55 6.733 10.540 5.270 1.00 0.00 O ATOM 816 CB ARG A 55 5.938 13.756 5.669 1.00 0.00 C ATOM 817 CG ARG A 55 7.113 14.725 5.899 1.00 0.00 C ATOM 818 CD ARG A 55 7.038 15.450 7.237 1.00 0.00 C ATOM 819 NE ARG A 55 6.051 16.540 7.257 1.00 0.00 N ATOM 820 CZ ARG A 55 5.383 16.947 8.338 1.00 0.00 C ATOM 821 NH1 ARG A 55 5.473 16.306 9.503 1.00 0.00 N ATOM 822 NH2 ARG A 55 4.672 18.059 8.277 1.00 0.00 N ATOM 0 H ARG A 55 5.340 14.121 3.302 1.00 0.00 H new ATOM 0 HA ARG A 55 7.411 12.739 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.041 14.309 5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.708 13.216 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.050 14.170 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.132 15.460 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.790 14.731 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.021 15.855 7.478 1.00 0.00 H new ATOM 0 HE ARG A 55 5.863 17.021 6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.065 15.480 9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.950 16.642 10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.638 18.596 7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.157 18.381 9.097 1.00 0.00 H new ATOM 836 N ARG A 56 4.579 11.086 4.867 1.00 0.00 N ATOM 837 CA ARG A 56 4.095 9.786 5.294 1.00 0.00 C ATOM 838 C ARG A 56 4.535 8.725 4.314 1.00 0.00 C ATOM 839 O ARG A 56 4.983 7.697 4.798 1.00 0.00 O ATOM 840 CB ARG A 56 2.573 9.738 5.505 1.00 0.00 C ATOM 841 CG ARG A 56 2.182 10.052 6.953 1.00 0.00 C ATOM 842 CD ARG A 56 1.693 11.485 7.168 1.00 0.00 C ATOM 843 NE ARG A 56 0.233 11.536 6.926 1.00 0.00 N ATOM 844 CZ ARG A 56 -0.725 11.448 7.866 1.00 0.00 C ATOM 845 NH1 ARG A 56 -0.444 11.563 9.162 1.00 0.00 N ATOM 846 NH2 ARG A 56 -1.981 11.223 7.501 1.00 0.00 N ATOM 0 H ARG A 56 3.858 11.735 4.552 1.00 0.00 H new ATOM 0 HA ARG A 56 4.537 9.590 6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.092 10.452 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.201 8.749 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.399 9.361 7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.042 9.872 7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.918 11.812 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.211 12.165 6.492 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.074 11.648 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.517 11.722 9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.190 11.492 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.214 11.118 6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.713 11.155 8.208 1.00 0.00 H new ATOM 860 N ILE A 57 4.455 8.916 2.993 1.00 0.00 N ATOM 861 CA ILE A 57 4.822 7.831 2.074 1.00 0.00 C ATOM 862 C ILE A 57 6.291 7.417 2.260 1.00 0.00 C ATOM 863 O ILE A 57 6.591 6.224 2.271 1.00 0.00 O ATOM 864 CB ILE A 57 4.429 8.136 0.621 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.624 6.882 -0.255 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.134 9.377 0.051 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.690 6.871 -1.468 1.00 0.00 C ATOM 0 H ILE A 57 4.150 9.781 2.546 1.00 0.00 H new ATOM 0 HA ILE A 57 4.231 6.953 2.336 1.00 0.00 H new ATOM 0 HB ILE A 57 3.370 8.393 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.659 6.836 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.446 5.990 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.813 9.537 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.877 10.250 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.213 9.226 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.865 5.969 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.654 6.889 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.885 7.748 -2.085 1.00 0.00 H new ATOM 879 N ARG A 58 7.202 8.365 2.506 1.00 0.00 N ATOM 880 CA ARG A 58 8.602 8.077 2.792 1.00 0.00 C ATOM 881 C ARG A 58 8.732 7.168 4.015 1.00 0.00 C ATOM 882 O ARG A 58 9.411 6.142 3.955 1.00 0.00 O ATOM 883 CB ARG A 58 9.322 9.428 2.978 1.00 0.00 C ATOM 884 CG ARG A 58 10.790 9.436 2.545 1.00 0.00 C ATOM 885 CD ARG A 58 11.620 8.300 3.155 1.00 0.00 C ATOM 886 NE ARG A 58 13.062 8.588 3.202 1.00 0.00 N ATOM 887 CZ ARG A 58 13.733 9.055 4.262 1.00 0.00 C ATOM 888 NH1 ARG A 58 13.085 9.553 5.314 1.00 0.00 N ATOM 889 NH2 ARG A 58 15.057 9.017 4.270 1.00 0.00 N ATOM 0 H ARG A 58 6.981 9.361 2.511 1.00 0.00 H new ATOM 0 HA ARG A 58 9.066 7.533 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.786 10.190 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.266 9.712 4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.839 9.367 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.237 10.390 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.264 8.102 4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.458 7.391 2.576 1.00 0.00 H new ATOM 0 HE ARG A 58 13.598 8.417 2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.065 9.582 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.608 9.906 6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.561 8.633 3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.573 9.372 5.075 1.00 0.00 H new ATOM 903 N GLU A 59 8.112 7.553 5.128 1.00 0.00 N ATOM 904 CA GLU A 59 8.167 6.830 6.397 1.00 0.00 C ATOM 905 C GLU A 59 7.366 5.524 6.352 1.00 0.00 C ATOM 906 O GLU A 59 7.697 4.582 7.068 1.00 0.00 O ATOM 907 CB GLU A 59 7.661 7.762 7.511 1.00 0.00 C ATOM 908 CG GLU A 59 8.759 8.214 8.477 1.00 0.00 C ATOM 909 CD GLU A 59 9.093 7.252 9.627 1.00 0.00 C ATOM 910 OE1 GLU A 59 8.429 7.331 10.687 1.00 0.00 O ATOM 911 OE2 GLU A 59 10.183 6.632 9.575 1.00 0.00 O ATOM 0 H GLU A 59 7.543 8.398 5.174 1.00 0.00 H new ATOM 0 HA GLU A 59 9.199 6.542 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.203 8.641 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.881 7.251 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.669 8.389 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.464 9.171 8.907 1.00 0.00 H new ATOM 918 N LEU A 60 6.321 5.447 5.524 1.00 0.00 N ATOM 919 CA LEU A 60 5.487 4.264 5.331 1.00 0.00 C ATOM 920 C LEU A 60 6.173 3.274 4.388 1.00 0.00 C ATOM 921 O LEU A 60 5.913 2.073 4.482 1.00 0.00 O ATOM 922 CB LEU A 60 4.096 4.631 4.786 1.00 0.00 C ATOM 923 CG LEU A 60 3.133 5.219 5.835 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.789 5.529 5.186 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.847 4.283 7.016 1.00 0.00 C ATOM 0 H LEU A 60 6.024 6.236 4.950 1.00 0.00 H new ATOM 0 HA LEU A 60 5.353 3.797 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.215 5.351 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.642 3.739 4.354 1.00 0.00 H new ATOM 0 HG LEU A 60 3.633 6.110 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.112 5.945 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.931 6.252 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.362 4.613 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.161 4.771 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.397 3.361 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.779 4.051 7.531 1.00 0.00 H new ATOM 937 N THR A 61 7.068 3.748 3.517 1.00 0.00 N ATOM 938 CA THR A 61 8.016 2.908 2.804 1.00 0.00 C ATOM 939 C THR A 61 8.979 2.324 3.841 1.00 0.00 C ATOM 940 O THR A 61 9.081 1.107 3.948 1.00 0.00 O ATOM 941 CB THR A 61 8.732 3.723 1.709 1.00 0.00 C ATOM 942 OG1 THR A 61 7.805 4.286 0.802 1.00 0.00 O ATOM 943 CG2 THR A 61 9.740 2.900 0.909 1.00 0.00 C ATOM 0 H THR A 61 7.150 4.739 3.289 1.00 0.00 H new ATOM 0 HA THR A 61 7.517 2.088 2.287 1.00 0.00 H new ATOM 0 HB THR A 61 9.271 4.507 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.309 5.005 1.246 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.209 3.532 0.155 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.504 2.508 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.227 2.072 0.420 1.00 0.00 H new ATOM 951 N ALA A 62 9.637 3.177 4.637 1.00 0.00 N ATOM 952 CA ALA A 62 10.678 2.787 5.586 1.00 0.00 C ATOM 953 C ALA A 62 10.189 1.716 6.564 1.00 0.00 C ATOM 954 O ALA A 62 10.839 0.693 6.753 1.00 0.00 O ATOM 955 CB ALA A 62 11.135 4.029 6.354 1.00 0.00 C ATOM 0 H ALA A 62 9.453 4.180 4.636 1.00 0.00 H new ATOM 0 HA ALA A 62 11.510 2.357 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.912 3.751 7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.531 4.765 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.288 4.457 6.890 1.00 0.00 H new ATOM 961 N VAL A 63 9.038 1.939 7.192 1.00 0.00 N ATOM 962 CA VAL A 63 8.439 0.990 8.121 1.00 0.00 C ATOM 963 C VAL A 63 8.180 -0.356 7.430 1.00 0.00 C ATOM 964 O VAL A 63 8.578 -1.379 7.979 1.00 0.00 O ATOM 965 CB VAL A 63 7.200 1.643 8.765 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.118 1.899 7.730 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.537 0.864 9.893 1.00 0.00 C ATOM 0 H VAL A 63 8.491 2.791 7.068 1.00 0.00 H new ATOM 0 HA VAL A 63 9.122 0.749 8.936 1.00 0.00 H new ATOM 0 HB VAL A 63 7.610 2.558 9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.256 2.360 8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.503 2.566 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.818 0.955 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.678 1.423 10.265 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.205 -0.105 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.252 0.716 10.702 1.00 0.00 H new ATOM 977 N VAL A 64 7.573 -0.382 6.233 1.00 0.00 N ATOM 978 CA VAL A 64 7.342 -1.608 5.466 1.00 0.00 C ATOM 979 C VAL A 64 8.676 -2.275 5.146 1.00 0.00 C ATOM 980 O VAL A 64 8.777 -3.498 5.241 1.00 0.00 O ATOM 981 CB VAL A 64 6.513 -1.294 4.196 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.674 -2.299 3.042 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.028 -1.236 4.578 1.00 0.00 C ATOM 0 H VAL A 64 7.227 0.458 5.769 1.00 0.00 H new ATOM 0 HA VAL A 64 6.760 -2.314 6.059 1.00 0.00 H new ATOM 0 HB VAL A 64 6.894 -0.343 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.053 -1.990 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.718 -2.331 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.365 -3.289 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.433 -1.015 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.721 -2.197 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.874 -0.455 5.322 1.00 0.00 H new ATOM 993 N GLN A 65 9.696 -1.486 4.809 1.00 0.00 N ATOM 994 CA GLN A 65 11.027 -1.968 4.517 1.00 0.00 C ATOM 995 C GLN A 65 11.554 -2.829 5.660 1.00 0.00 C ATOM 996 O GLN A 65 12.051 -3.915 5.382 1.00 0.00 O ATOM 997 CB GLN A 65 11.979 -0.807 4.189 1.00 0.00 C ATOM 998 CG GLN A 65 12.380 -0.747 2.713 1.00 0.00 C ATOM 999 CD GLN A 65 13.754 -0.097 2.610 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.892 1.122 2.685 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.796 -0.904 2.507 1.00 0.00 N ATOM 0 H GLN A 65 9.608 -0.473 4.732 1.00 0.00 H new ATOM 0 HA GLN A 65 10.974 -2.598 3.629 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.502 0.133 4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.878 -0.901 4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.403 -1.750 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.647 -0.175 2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.656 -1.913 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.740 -0.518 2.488 1.00 0.00 H new ATOM 1010 N LYS A 66 11.391 -2.402 6.917 1.00 0.00 N ATOM 1011 CA LYS A 66 11.738 -3.240 8.062 1.00 0.00 C ATOM 1012 C LYS A 66 10.754 -4.399 8.166 1.00 0.00 C ATOM 1013 O LYS A 66 11.154 -5.563 8.110 1.00 0.00 O ATOM 1014 CB LYS A 66 11.740 -2.435 9.370 1.00 0.00 C ATOM 1015 CG LYS A 66 12.945 -1.507 9.568 1.00 0.00 C ATOM 1016 CD LYS A 66 12.832 -0.148 8.878 1.00 0.00 C ATOM 1017 CE LYS A 66 13.924 0.778 9.417 1.00 0.00 C ATOM 1018 NZ LYS A 66 13.830 2.142 8.858 1.00 0.00 N ATOM 0 H LYS A 66 11.022 -1.484 7.163 1.00 0.00 H new ATOM 0 HA LYS A 66 12.746 -3.625 7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.831 -1.835 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.698 -3.133 10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.088 -1.345 10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.838 -2.012 9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.936 -0.264 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.848 0.285 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.851 0.827 10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.902 0.358 9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.590 2.732 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.926 2.100 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.908 2.555 9.104 1.00 0.00 H new ATOM 1032 N ARG A 67 9.459 -4.088 8.298 1.00 0.00 N ATOM 1033 CA ARG A 67 8.390 -5.025 8.648 1.00 0.00 C ATOM 1034 C ARG A 67 8.420 -6.272 7.773 1.00 0.00 C ATOM 1035 O ARG A 67 8.312 -7.384 8.280 1.00 0.00 O ATOM 1036 CB ARG A 67 7.030 -4.301 8.550 1.00 0.00 C ATOM 1037 CG ARG A 67 6.010 -4.744 9.602 1.00 0.00 C ATOM 1038 CD ARG A 67 5.129 -5.911 9.148 1.00 0.00 C ATOM 1039 NE ARG A 67 4.508 -6.561 10.311 1.00 0.00 N ATOM 1040 CZ ARG A 67 3.402 -6.177 10.962 1.00 0.00 C ATOM 1041 NH1 ARG A 67 2.714 -5.108 10.573 1.00 0.00 N ATOM 1042 NH2 ARG A 67 2.981 -6.867 12.008 1.00 0.00 N ATOM 0 H ARG A 67 9.116 -3.138 8.158 1.00 0.00 H new ATOM 0 HA ARG A 67 8.543 -5.364 9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.194 -3.228 8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.611 -4.471 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.539 -5.031 10.511 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.373 -3.897 9.858 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.357 -5.550 8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.728 -6.634 8.595 1.00 0.00 H new ATOM 0 HE ARG A 67 4.972 -7.399 10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.026 -4.566 9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.874 -4.830 11.080 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.498 -7.690 12.318 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.139 -6.577 12.505 1.00 0.00 H new ATOM 1056 N PHE A 68 8.574 -6.075 6.466 1.00 0.00 N ATOM 1057 CA PHE A 68 8.569 -7.121 5.456 1.00 0.00 C ATOM 1058 C PHE A 68 9.991 -7.401 4.948 1.00 0.00 C ATOM 1059 O PHE A 68 10.186 -8.342 4.183 1.00 0.00 O ATOM 1060 CB PHE A 68 7.590 -6.718 4.344 1.00 0.00 C ATOM 1061 CG PHE A 68 6.146 -6.578 4.797 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.679 -5.358 5.321 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.256 -7.661 4.669 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.339 -5.228 5.724 1.00 0.00 C ATOM 1065 CE2 PHE A 68 3.900 -7.512 5.012 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.446 -6.299 5.557 1.00 0.00 C ATOM 0 H PHE A 68 8.711 -5.145 6.070 1.00 0.00 H new ATOM 0 HA PHE A 68 8.225 -8.064 5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.917 -5.771 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.638 -7.461 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.353 -4.519 5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.616 -8.612 4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.995 -4.303 6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.210 -8.328 4.857 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.411 -6.190 5.847 1.00 0.00 H new ATOM 1076 N GLY A 69 11.011 -6.677 5.426 1.00 0.00 N ATOM 1077 CA GLY A 69 12.424 -6.918 5.139 1.00 0.00 C ATOM 1078 C GLY A 69 12.740 -6.787 3.653 1.00 0.00 C ATOM 1079 O GLY A 69 13.374 -7.677 3.080 1.00 0.00 O ATOM 0 H GLY A 69 10.866 -5.879 6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.033 -6.211 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.697 -7.916 5.480 1.00 0.00 H new ATOM 1083 N PHE A 70 12.261 -5.707 3.035 1.00 0.00 N ATOM 1084 CA PHE A 70 12.439 -5.429 1.616 1.00 0.00 C ATOM 1085 C PHE A 70 13.826 -4.841 1.333 1.00 0.00 C ATOM 1086 O PHE A 70 14.301 -4.013 2.124 1.00 0.00 O ATOM 1087 CB PHE A 70 11.402 -4.406 1.145 1.00 0.00 C ATOM 1088 CG PHE A 70 10.081 -4.980 0.698 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.970 -5.545 -0.586 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.943 -4.855 1.516 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.722 -5.959 -1.060 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.691 -5.290 1.046 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.588 -5.833 -0.248 1.00 0.00 C ATOM 0 H PHE A 70 11.727 -4.987 3.521 1.00 0.00 H new ATOM 0 HA PHE A 70 12.323 -6.375 1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.217 -3.702 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.829 -3.836 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.848 -5.659 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.031 -4.426 2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.632 -6.376 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.816 -5.208 1.673 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.626 -6.155 -0.618 1.00 0.00 H new ATOM 1103 N PRO A 71 14.425 -5.163 0.170 1.00 0.00 N ATOM 1104 CA PRO A 71 15.587 -4.450 -0.333 1.00 0.00 C ATOM 1105 C PRO A 71 15.202 -3.006 -0.668 1.00 0.00 C ATOM 1106 O PRO A 71 14.135 -2.749 -1.236 1.00 0.00 O ATOM 1107 CB PRO A 71 16.052 -5.221 -1.569 1.00 0.00 C ATOM 1108 CG PRO A 71 14.796 -5.938 -2.073 1.00 0.00 C ATOM 1109 CD PRO A 71 13.893 -6.059 -0.850 1.00 0.00 C ATOM 0 HA PRO A 71 16.391 -4.394 0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.456 -4.549 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.841 -5.931 -1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.310 -5.372 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.039 -6.918 -2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.867 -5.790 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.873 -7.087 -0.487 1.00 0.00 H new ATOM 1117 N GLU A 72 16.070 -2.071 -0.299 1.00 0.00 N ATOM 1118 CA GLU A 72 15.892 -0.649 -0.534 1.00 0.00 C ATOM 1119 C GLU A 72 15.891 -0.377 -2.034 1.00 0.00 C ATOM 1120 O GLU A 72 16.606 -1.035 -2.795 1.00 0.00 O ATOM 1121 CB GLU A 72 17.034 0.101 0.156 1.00 0.00 C ATOM 1122 CG GLU A 72 16.714 1.590 0.332 1.00 0.00 C ATOM 1123 CD GLU A 72 17.999 2.342 0.654 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.518 2.208 1.782 1.00 0.00 O ATOM 1125 OE2 GLU A 72 18.531 3.028 -0.253 1.00 0.00 O ATOM 0 H GLU A 72 16.940 -2.291 0.185 1.00 0.00 H new ATOM 0 HA GLU A 72 14.940 -0.308 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.226 -0.347 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.947 -0.008 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.264 1.988 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.988 1.726 1.133 1.00 0.00 H new ATOM 1132 N GLY A 73 15.061 0.565 -2.484 1.00 0.00 N ATOM 1133 CA GLY A 73 14.995 0.974 -3.878 1.00 0.00 C ATOM 1134 C GLY A 73 14.377 -0.082 -4.791 1.00 0.00 C ATOM 1135 O GLY A 73 14.143 0.213 -5.961 1.00 0.00 O ATOM 0 H GLY A 73 14.411 1.068 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.414 1.893 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.001 1.204 -4.230 1.00 0.00 H new ATOM 1139 N SER A 74 14.089 -1.286 -4.284 1.00 0.00 N ATOM 1140 CA SER A 74 13.406 -2.366 -4.976 1.00 0.00 C ATOM 1141 C SER A 74 12.071 -2.726 -4.312 1.00 0.00 C ATOM 1142 O SER A 74 11.421 -3.684 -4.731 1.00 0.00 O ATOM 1143 CB SER A 74 14.347 -3.565 -5.112 1.00 0.00 C ATOM 1144 OG SER A 74 15.419 -3.270 -5.992 1.00 0.00 O ATOM 0 H SER A 74 14.343 -1.539 -3.329 1.00 0.00 H new ATOM 0 HA SER A 74 13.144 -2.030 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.740 -3.837 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.793 -4.427 -5.484 1.00 0.00 H new ATOM 0 HG SER A 74 16.008 -4.050 -6.062 1.00 0.00 H new ATOM 1150 N VAL A 75 11.627 -1.934 -3.337 1.00 0.00 N ATOM 1151 CA VAL A 75 10.223 -1.768 -3.005 1.00 0.00 C ATOM 1152 C VAL A 75 9.886 -0.324 -3.349 1.00 0.00 C ATOM 1153 O VAL A 75 10.731 0.559 -3.166 1.00 0.00 O ATOM 1154 CB VAL A 75 9.977 -2.150 -1.535 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.688 -1.253 -0.509 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.479 -2.207 -1.215 1.00 0.00 C ATOM 0 H VAL A 75 12.250 -1.381 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 75 9.564 -2.428 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 75 10.420 -3.141 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.456 -1.598 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.765 -1.300 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.348 -0.224 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.341 -2.480 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.030 -1.231 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.999 -2.951 -1.850 1.00 0.00 H new ATOM 1166 N GLU A 76 8.705 -0.069 -3.901 1.00 0.00 N ATOM 1167 CA GLU A 76 8.168 1.273 -4.064 1.00 0.00 C ATOM 1168 C GLU A 76 6.724 1.253 -3.606 1.00 0.00 C ATOM 1169 O GLU A 76 6.065 0.211 -3.665 1.00 0.00 O ATOM 1170 CB GLU A 76 8.247 1.750 -5.525 1.00 0.00 C ATOM 1171 CG GLU A 76 9.240 2.912 -5.695 1.00 0.00 C ATOM 1172 CD GLU A 76 8.716 4.245 -5.158 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.229 4.283 -4.008 1.00 0.00 O ATOM 1174 OE2 GLU A 76 8.800 5.264 -5.887 1.00 0.00 O ATOM 0 H GLU A 76 8.087 -0.800 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 76 8.760 1.969 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.548 0.919 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.258 2.065 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.170 2.663 -5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.479 3.024 -6.753 1.00 0.00 H new ATOM 1181 N LEU A 77 6.249 2.416 -3.182 1.00 0.00 N ATOM 1182 CA LEU A 77 4.889 2.668 -2.760 1.00 0.00 C ATOM 1183 C LEU A 77 4.377 3.771 -3.666 1.00 0.00 C ATOM 1184 O LEU A 77 5.070 4.763 -3.896 1.00 0.00 O ATOM 1185 CB LEU A 77 4.823 3.127 -1.296 1.00 0.00 C ATOM 1186 CG LEU A 77 4.907 2.007 -0.244 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.237 1.243 -0.227 1.00 0.00 C ATOM 1188 CD2 LEU A 77 4.701 2.654 1.125 1.00 0.00 C ATOM 0 H LEU A 77 6.836 3.248 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 77 4.292 1.759 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.636 3.830 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.891 3.672 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 77 4.143 1.271 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.205 0.474 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.401 0.776 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.052 1.936 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.754 1.890 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.478 3.399 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.724 3.136 1.156 1.00 0.00 H new ATOM 1200 N TYR A 78 3.153 3.612 -4.139 1.00 0.00 N ATOM 1201 CA TYR A 78 2.425 4.567 -4.947 1.00 0.00 C ATOM 1202 C TYR A 78 1.092 4.840 -4.246 1.00 0.00 C ATOM 1203 O TYR A 78 0.698 4.094 -3.339 1.00 0.00 O ATOM 1204 CB TYR A 78 2.286 3.973 -6.352 1.00 0.00 C ATOM 1205 CG TYR A 78 3.617 3.615 -6.997 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.385 4.647 -7.574 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.124 2.294 -6.964 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.644 4.364 -8.131 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.361 2.006 -7.562 1.00 0.00 C ATOM 1210 CZ TYR A 78 6.129 3.040 -8.142 1.00 0.00 C ATOM 1211 OH TYR A 78 7.362 2.780 -8.651 1.00 0.00 O ATOM 0 H TYR A 78 2.613 2.766 -3.958 1.00 0.00 H new ATOM 0 HA TYR A 78 2.931 5.526 -5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.665 3.079 -6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.763 4.687 -6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.005 5.658 -7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.561 1.510 -6.480 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.240 5.161 -8.551 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.727 0.990 -7.579 1.00 0.00 H new ATOM 0 HH TYR A 78 7.548 1.820 -8.584 1.00 0.00 H new ATOM 1221 N ALA A 79 0.407 5.926 -4.612 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.790 6.382 -3.922 1.00 0.00 C ATOM 1223 C ALA A 79 -1.885 6.674 -4.931 1.00 0.00 C ATOM 1224 O ALA A 79 -1.820 7.677 -5.649 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.464 7.623 -3.079 1.00 0.00 C ATOM 0 H ALA A 79 0.674 6.514 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.146 5.600 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.364 7.960 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.302 7.373 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.098 8.418 -3.728 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.911 5.826 -4.953 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.905 5.834 -6.007 1.00 0.00 C ATOM 1233 C GLU A 80 -5.285 6.103 -5.431 1.00 0.00 C ATOM 1234 O GLU A 80 -5.615 5.673 -4.320 1.00 0.00 O ATOM 1235 CB GLU A 80 -3.849 4.492 -6.751 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.481 4.539 -8.144 1.00 0.00 C ATOM 1237 CD GLU A 80 -3.997 5.766 -8.902 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -2.795 5.828 -9.253 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -4.799 6.719 -9.001 1.00 0.00 O ATOM 0 H GLU A 80 -3.071 5.117 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.693 6.635 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.809 4.180 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.358 3.734 -6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.224 3.636 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.567 4.562 -8.057 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.108 6.808 -6.204 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.349 7.369 -5.718 1.00 0.00 C ATOM 1248 C LYS A 81 -8.527 6.509 -6.162 1.00 0.00 C ATOM 1249 O LYS A 81 -8.586 6.064 -7.315 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.438 8.814 -6.212 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.807 9.373 -5.844 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.895 10.890 -5.867 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.387 11.527 -7.170 1.00 0.00 C ATOM 1254 NZ LYS A 81 -9.320 11.403 -8.311 1.00 0.00 N ATOM 0 H LYS A 81 -5.924 7.002 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.380 7.377 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.650 9.417 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.291 8.854 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.548 8.968 -6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.073 9.021 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.932 11.186 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.320 11.290 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.188 12.584 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.437 11.066 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.905 11.857 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.492 10.397 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.220 11.868 -8.076 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.488 6.339 -5.261 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.640 5.464 -5.474 1.00 0.00 C ATOM 1270 C VAL A 82 -11.621 6.225 -6.391 1.00 0.00 C ATOM 1271 O VAL A 82 -11.561 7.456 -6.504 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.236 5.051 -4.102 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -12.490 4.168 -4.213 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -10.237 4.271 -3.221 1.00 0.00 C ATOM 0 H VAL A 82 -9.492 6.807 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.377 4.528 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.490 6.009 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.850 3.920 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.267 4.706 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.243 3.251 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.712 4.010 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.931 3.361 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.361 4.891 -3.028 1.00 0.00 H new