USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 589 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 65 MET CE :methyl -116:sc= -2.78! (180deg=-7.64!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 58 ASN : amide:sc= -0.886 K(o=-3.9,f=-3.3) USER MOD Set 2.2: A 77 SER OG : rot 129:sc= -3.01! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.19) USER MOD Single : A 30 THR OG1 : rot -156:sc= -2.04 USER MOD Single : A 35 THR OG1 : rot 122:sc= -2.02 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.279 K(o=0.28,f=-6.4!) USER MOD Single : A 67 HIS : no HE2:sc= -0.209 X(o=-0.21,f=-0.3) USER MOD Single : A 71 GLN : amide:sc= -0.858 K(o=-0.86,f=-1.9) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0065 X(o=-0.0065,f=-0.068) USER MOD Single : A 79 SER OG : rot -149:sc= -0.727 USER MOD Single : A 84 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.539 12.956 2.356 1.00 0.00 N ATOM 60 CA GLY A 7 -1.940 11.673 2.032 1.00 0.00 C ATOM 61 C GLY A 7 -1.079 11.162 3.189 1.00 0.00 C ATOM 62 O GLY A 7 -0.168 11.853 3.643 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.723 10.948 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.329 11.769 1.134 1.00 0.00 H new ATOM 66 N LEU A 8 -1.397 9.955 3.633 1.00 0.00 N ATOM 67 CA LEU A 8 -0.665 9.343 4.729 1.00 0.00 C ATOM 68 C LEU A 8 0.090 8.117 4.210 1.00 0.00 C ATOM 69 O LEU A 8 -0.287 7.536 3.193 1.00 0.00 O ATOM 70 CB LEU A 8 -1.604 9.038 5.897 1.00 0.00 C ATOM 71 CG LEU A 8 -1.466 7.649 6.523 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.929 7.656 7.982 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.204 6.597 5.693 1.00 0.00 C ATOM 0 H LEU A 8 -2.152 9.384 3.253 1.00 0.00 H new ATOM 0 HA LEU A 8 0.080 10.034 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.438 9.783 6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.631 9.159 5.553 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.410 7.378 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.820 6.656 8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.322 8.358 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.975 7.958 8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.090 5.619 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.262 6.852 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.787 6.569 4.686 1.00 0.00 H new ATOM 85 N THR A 9 1.142 7.760 4.932 1.00 0.00 N ATOM 86 CA THR A 9 1.953 6.615 4.558 1.00 0.00 C ATOM 87 C THR A 9 1.734 5.462 5.540 1.00 0.00 C ATOM 88 O THR A 9 1.277 5.676 6.662 1.00 0.00 O ATOM 89 CB THR A 9 3.410 7.073 4.475 1.00 0.00 C ATOM 90 OG1 THR A 9 3.397 8.092 3.478 1.00 0.00 O ATOM 91 CG2 THR A 9 4.331 5.997 3.896 1.00 0.00 C ATOM 0 H THR A 9 1.451 8.244 5.775 1.00 0.00 H new ATOM 0 HA THR A 9 1.663 6.228 3.581 1.00 0.00 H new ATOM 0 HB THR A 9 3.759 7.353 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.303 8.447 3.361 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.353 6.374 3.859 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.294 5.109 4.527 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.003 5.740 2.889 1.00 0.00 H new ATOM 99 N VAL A 10 2.070 4.265 5.083 1.00 0.00 N ATOM 100 CA VAL A 10 1.916 3.079 5.907 1.00 0.00 C ATOM 101 C VAL A 10 3.221 2.280 5.893 1.00 0.00 C ATOM 102 O VAL A 10 3.946 2.285 4.899 1.00 0.00 O ATOM 103 CB VAL A 10 0.711 2.264 5.432 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.826 1.934 3.942 1.00 0.00 C ATOM 105 CG2 VAL A 10 0.547 0.991 6.265 1.00 0.00 C ATOM 0 H VAL A 10 2.449 4.091 4.152 1.00 0.00 H new ATOM 0 HA VAL A 10 1.716 3.357 6.942 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.182 2.873 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.043 1.354 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.871 2.859 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.732 1.353 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.316 0.430 5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.443 0.377 6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.398 1.258 7.311 1.00 0.00 H new ATOM 115 N ASP A 11 3.481 1.612 7.008 1.00 0.00 N ATOM 116 CA ASP A 11 4.686 0.811 7.136 1.00 0.00 C ATOM 117 C ASP A 11 4.299 -0.640 7.434 1.00 0.00 C ATOM 118 O ASP A 11 4.193 -1.032 8.595 1.00 0.00 O ATOM 119 CB ASP A 11 5.561 1.312 8.287 1.00 0.00 C ATOM 120 CG ASP A 11 4.795 1.908 9.470 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.943 1.177 10.020 1.00 0.00 O ATOM 122 OD2 ASP A 11 5.079 3.080 9.797 1.00 0.00 O ATOM 0 H ASP A 11 2.878 1.609 7.830 1.00 0.00 H new ATOM 0 HA ASP A 11 5.242 0.886 6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.170 0.483 8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.247 2.066 7.901 1.00 0.00 H new ATOM 127 N VAL A 12 4.099 -1.396 6.365 1.00 0.00 N ATOM 128 CA VAL A 12 3.726 -2.794 6.497 1.00 0.00 C ATOM 129 C VAL A 12 4.889 -3.571 7.117 1.00 0.00 C ATOM 130 O VAL A 12 6.052 -3.243 6.888 1.00 0.00 O ATOM 131 CB VAL A 12 3.292 -3.350 5.139 1.00 0.00 C ATOM 132 CG1 VAL A 12 2.909 -4.828 5.249 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.143 -2.528 4.552 1.00 0.00 C ATOM 0 H VAL A 12 4.188 -1.067 5.404 1.00 0.00 H new ATOM 0 HA VAL A 12 2.871 -2.900 7.165 1.00 0.00 H new ATOM 0 HB VAL A 12 4.140 -3.273 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.604 -5.199 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.766 -5.401 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.083 -4.939 5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.854 -2.944 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.290 -2.558 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.465 -1.495 4.420 1.00 0.00 H new ATOM 143 N ALA A 13 4.534 -4.587 7.890 1.00 0.00 N ATOM 144 CA ALA A 13 5.534 -5.414 8.545 1.00 0.00 C ATOM 145 C ALA A 13 5.499 -6.821 7.945 1.00 0.00 C ATOM 146 O ALA A 13 4.683 -7.650 8.344 1.00 0.00 O ATOM 147 CB ALA A 13 5.284 -5.418 10.054 1.00 0.00 C ATOM 0 H ALA A 13 3.568 -4.856 8.078 1.00 0.00 H new ATOM 0 HA ALA A 13 6.533 -5.010 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.034 -6.038 10.545 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.349 -4.399 10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.291 -5.820 10.257 1.00 0.00 H new ATOM 153 N GLY A 14 6.394 -7.046 6.994 1.00 0.00 N ATOM 154 CA GLY A 14 6.476 -8.339 6.335 1.00 0.00 C ATOM 155 C GLY A 14 6.707 -9.459 7.351 1.00 0.00 C ATOM 156 O GLY A 14 6.447 -9.286 8.541 1.00 0.00 O ATOM 0 H GLY A 14 7.068 -6.355 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.556 -8.529 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.288 -8.330 5.608 1.00 0.00 H new ATOM 160 N PRO A 15 7.207 -10.612 6.831 1.00 0.00 N ATOM 161 CA PRO A 15 7.487 -10.733 5.411 1.00 0.00 C ATOM 162 C PRO A 15 6.194 -10.890 4.608 1.00 0.00 C ATOM 163 O PRO A 15 5.112 -10.576 5.100 1.00 0.00 O ATOM 164 CB PRO A 15 8.410 -11.935 5.293 1.00 0.00 C ATOM 165 CG PRO A 15 8.239 -12.719 6.584 1.00 0.00 C ATOM 166 CD PRO A 15 7.516 -11.827 7.579 1.00 0.00 C ATOM 0 HA PRO A 15 7.961 -9.842 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.149 -12.545 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.445 -11.621 5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.669 -13.631 6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.209 -13.022 6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.610 -12.304 7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.142 -11.611 8.445 1.00 0.00 H new ATOM 174 N ALA A 16 6.350 -11.377 3.385 1.00 0.00 N ATOM 175 CA ALA A 16 5.209 -11.580 2.510 1.00 0.00 C ATOM 176 C ALA A 16 4.639 -12.981 2.738 1.00 0.00 C ATOM 177 O ALA A 16 5.297 -13.833 3.332 1.00 0.00 O ATOM 178 CB ALA A 16 5.632 -11.352 1.057 1.00 0.00 C ATOM 0 H ALA A 16 7.250 -11.637 2.980 1.00 0.00 H new ATOM 0 HA ALA A 16 4.420 -10.863 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.775 -11.504 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.001 -10.333 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.421 -12.056 0.793 1.00 0.00 H new ATOM 184 N PRO A 17 3.389 -13.182 2.240 1.00 0.00 N ATOM 185 CA PRO A 17 2.679 -12.119 1.549 1.00 0.00 C ATOM 186 C PRO A 17 2.156 -11.075 2.538 1.00 0.00 C ATOM 187 O PRO A 17 2.288 -11.242 3.750 1.00 0.00 O ATOM 188 CB PRO A 17 1.570 -12.820 0.783 1.00 0.00 C ATOM 189 CG PRO A 17 1.410 -14.184 1.436 1.00 0.00 C ATOM 190 CD PRO A 17 2.621 -14.421 2.322 1.00 0.00 C ATOM 0 HA PRO A 17 3.320 -11.557 0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.641 -12.252 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.826 -12.920 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.493 -14.220 2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.333 -14.964 0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.324 -14.636 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.205 -15.273 1.974 1.00 0.00 H new ATOM 198 N TRP A 18 1.572 -10.023 1.985 1.00 0.00 N ATOM 199 CA TRP A 18 1.028 -8.953 2.804 1.00 0.00 C ATOM 200 C TRP A 18 -0.378 -9.364 3.247 1.00 0.00 C ATOM 201 O TRP A 18 -0.691 -9.333 4.436 1.00 0.00 O ATOM 202 CB TRP A 18 1.050 -7.621 2.051 1.00 0.00 C ATOM 203 CG TRP A 18 2.351 -7.359 1.289 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.537 -7.322 -0.038 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.648 -7.096 1.866 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.853 -7.057 -0.357 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.550 -6.915 0.838 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.045 -7.015 3.212 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.907 -6.641 1.048 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.404 -6.740 3.406 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.325 -6.555 2.381 1.00 0.00 C ATOM 0 H TRP A 18 1.463 -9.888 0.980 1.00 0.00 H new ATOM 0 HA TRP A 18 1.642 -8.797 3.691 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.218 -7.599 1.347 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.888 -6.811 2.762 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.755 -7.480 -0.766 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.243 -6.980 -1.296 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.356 -7.154 4.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.594 -6.503 0.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.762 -6.666 4.422 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.359 -6.346 2.612 1.00 0.00 H new ATOM 222 N GLY A 19 -1.186 -9.741 2.268 1.00 0.00 N ATOM 223 CA GLY A 19 -2.551 -10.159 2.542 1.00 0.00 C ATOM 224 C GLY A 19 -3.549 -9.076 2.128 1.00 0.00 C ATOM 225 O GLY A 19 -4.619 -8.953 2.722 1.00 0.00 O ATOM 0 H GLY A 19 -0.922 -9.766 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.767 -11.082 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.663 -10.375 3.605 1.00 0.00 H new ATOM 229 N PHE A 20 -3.164 -8.319 1.111 1.00 0.00 N ATOM 230 CA PHE A 20 -4.012 -7.251 0.611 1.00 0.00 C ATOM 231 C PHE A 20 -4.015 -7.224 -0.919 1.00 0.00 C ATOM 232 O PHE A 20 -3.019 -7.572 -1.551 1.00 0.00 O ATOM 233 CB PHE A 20 -3.429 -5.935 1.131 1.00 0.00 C ATOM 234 CG PHE A 20 -2.183 -5.466 0.378 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.303 -4.918 -0.861 1.00 0.00 C ATOM 236 CD2 PHE A 20 -0.955 -5.597 0.948 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.146 -4.483 -1.560 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.202 -5.162 0.249 1.00 0.00 C ATOM 239 CZ PHE A 20 0.082 -4.614 -0.990 1.00 0.00 C ATOM 0 H PHE A 20 -2.276 -8.424 0.620 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.038 -7.403 0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.193 -5.160 1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.181 -6.051 2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.278 -4.814 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.860 -6.032 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.241 -4.048 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.177 -5.266 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.962 -4.283 -1.521 1.00 0.00 H new ATOM 249 N ARG A 21 -5.145 -6.807 -1.470 1.00 0.00 N ATOM 250 CA ARG A 21 -5.291 -6.730 -2.914 1.00 0.00 C ATOM 251 C ARG A 21 -5.424 -5.272 -3.357 1.00 0.00 C ATOM 252 O ARG A 21 -5.493 -4.370 -2.523 1.00 0.00 O ATOM 253 CB ARG A 21 -6.517 -7.514 -3.386 1.00 0.00 C ATOM 254 CG ARG A 21 -6.218 -9.013 -3.449 1.00 0.00 C ATOM 255 CD ARG A 21 -7.368 -9.774 -4.113 1.00 0.00 C ATOM 256 NE ARG A 21 -6.936 -11.148 -4.454 1.00 0.00 N ATOM 257 CZ ARG A 21 -6.191 -11.457 -5.523 1.00 0.00 C ATOM 258 NH1 ARG A 21 -5.789 -10.493 -6.362 1.00 0.00 N ATOM 259 NH2 ARG A 21 -5.846 -12.732 -5.753 1.00 0.00 N ATOM 0 H ARG A 21 -5.969 -6.519 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.399 -7.169 -3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.351 -7.334 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.824 -7.159 -4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.296 -9.181 -4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.056 -9.398 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.226 -9.810 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.689 -9.251 -5.014 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.224 -11.907 -3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.050 -9.523 -6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.222 -10.729 -7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.151 -13.466 -5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.279 -12.968 -6.567 1.00 0.00 H new ATOM 273 N ILE A 22 -5.456 -5.086 -4.668 1.00 0.00 N ATOM 274 CA ILE A 22 -5.580 -3.752 -5.232 1.00 0.00 C ATOM 275 C ILE A 22 -6.461 -3.812 -6.482 1.00 0.00 C ATOM 276 O ILE A 22 -6.801 -4.895 -6.955 1.00 0.00 O ATOM 277 CB ILE A 22 -4.198 -3.146 -5.482 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.385 -4.012 -6.447 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.458 -2.906 -4.165 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.293 -3.190 -7.134 1.00 0.00 C ATOM 0 H ILE A 22 -5.398 -5.836 -5.356 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.073 -3.083 -4.526 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.333 -2.174 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.933 -4.842 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.046 -4.445 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.478 -2.475 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.033 -2.219 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.334 -3.853 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.730 -3.829 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.750 -2.376 -7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.620 -2.779 -6.382 1.00 0.00 H new ATOM 292 N SER A 23 -6.805 -2.633 -6.981 1.00 0.00 N ATOM 293 CA SER A 23 -7.640 -2.538 -8.166 1.00 0.00 C ATOM 294 C SER A 23 -7.203 -1.345 -9.019 1.00 0.00 C ATOM 295 O SER A 23 -6.251 -0.646 -8.674 1.00 0.00 O ATOM 296 CB SER A 23 -9.118 -2.408 -7.791 1.00 0.00 C ATOM 297 OG SER A 23 -9.948 -3.242 -8.595 1.00 0.00 O ATOM 0 H SER A 23 -6.521 -1.737 -6.586 1.00 0.00 H new ATOM 0 HA SER A 23 -7.519 -3.455 -8.743 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.250 -2.669 -6.741 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.430 -1.370 -7.903 1.00 0.00 H new ATOM 0 HG SER A 23 -10.883 -3.132 -8.324 1.00 0.00 H new ATOM 303 N GLY A 24 -7.919 -1.149 -10.116 1.00 0.00 N ATOM 304 CA GLY A 24 -7.617 -0.053 -11.021 1.00 0.00 C ATOM 305 C GLY A 24 -6.169 -0.129 -11.511 1.00 0.00 C ATOM 306 O GLY A 24 -5.668 -1.211 -11.812 1.00 0.00 O ATOM 0 H GLY A 24 -8.708 -1.731 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.295 -0.083 -11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.784 0.898 -10.515 1.00 0.00 H new ATOM 310 N GLY A 25 -5.538 1.034 -11.575 1.00 0.00 N ATOM 311 CA GLY A 25 -4.158 1.113 -12.023 1.00 0.00 C ATOM 312 C GLY A 25 -4.059 1.835 -13.368 1.00 0.00 C ATOM 313 O GLY A 25 -5.043 1.933 -14.098 1.00 0.00 O ATOM 0 H GLY A 25 -5.957 1.930 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.560 1.639 -11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.743 0.109 -12.114 1.00 0.00 H new ATOM 317 N ARG A 26 -2.860 2.322 -13.655 1.00 0.00 N ATOM 318 CA ARG A 26 -2.619 3.032 -14.899 1.00 0.00 C ATOM 319 C ARG A 26 -3.201 2.249 -16.078 1.00 0.00 C ATOM 320 O ARG A 26 -3.635 2.840 -17.066 1.00 0.00 O ATOM 321 CB ARG A 26 -1.122 3.248 -15.129 1.00 0.00 C ATOM 322 CG ARG A 26 -0.868 3.955 -16.462 1.00 0.00 C ATOM 323 CD ARG A 26 -1.001 5.471 -16.313 1.00 0.00 C ATOM 324 NE ARG A 26 -1.741 6.031 -17.466 1.00 0.00 N ATOM 325 CZ ARG A 26 -1.665 7.310 -17.858 1.00 0.00 C ATOM 326 NH1 ARG A 26 -0.881 8.169 -17.193 1.00 0.00 N ATOM 327 NH2 ARG A 26 -2.372 7.729 -18.916 1.00 0.00 N ATOM 0 H ARG A 26 -2.045 2.238 -13.047 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.108 4.004 -14.826 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.707 3.841 -14.314 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.607 2.288 -15.119 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.130 3.708 -16.824 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.576 3.596 -17.209 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.522 5.709 -15.386 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.013 5.926 -16.249 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.347 5.404 -17.995 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.342 7.849 -16.388 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.823 9.143 -17.491 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.968 7.074 -19.423 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.314 8.703 -19.215 1.00 0.00 H new ATOM 341 N ASP A 27 -3.192 0.932 -15.936 1.00 0.00 N ATOM 342 CA ASP A 27 -3.713 0.063 -16.976 1.00 0.00 C ATOM 343 C ASP A 27 -5.199 0.363 -17.188 1.00 0.00 C ATOM 344 O ASP A 27 -5.654 0.491 -18.324 1.00 0.00 O ATOM 345 CB ASP A 27 -3.580 -1.410 -16.582 1.00 0.00 C ATOM 346 CG ASP A 27 -3.360 -2.374 -17.749 1.00 0.00 C ATOM 347 OD1 ASP A 27 -3.423 -1.894 -18.902 1.00 0.00 O ATOM 348 OD2 ASP A 27 -3.134 -3.570 -17.463 1.00 0.00 O ATOM 0 H ASP A 27 -2.832 0.445 -15.115 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.141 0.246 -17.886 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.748 -1.510 -15.886 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.481 -1.710 -16.047 1.00 0.00 H new ATOM 353 N PHE A 28 -5.913 0.466 -16.078 1.00 0.00 N ATOM 354 CA PHE A 28 -7.338 0.748 -16.128 1.00 0.00 C ATOM 355 C PHE A 28 -7.602 2.252 -16.028 1.00 0.00 C ATOM 356 O PHE A 28 -8.749 2.677 -15.898 1.00 0.00 O ATOM 357 CB PHE A 28 -7.975 0.049 -14.925 1.00 0.00 C ATOM 358 CG PHE A 28 -8.004 -1.476 -15.036 1.00 0.00 C ATOM 359 CD1 PHE A 28 -6.873 -2.196 -14.808 1.00 0.00 C ATOM 360 CD2 PHE A 28 -9.161 -2.113 -15.362 1.00 0.00 C ATOM 361 CE1 PHE A 28 -6.900 -3.612 -14.910 1.00 0.00 C ATOM 362 CE2 PHE A 28 -9.188 -3.529 -15.464 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.057 -4.249 -15.236 1.00 0.00 C ATOM 0 H PHE A 28 -5.532 0.359 -15.138 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.755 0.395 -17.071 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.428 0.327 -14.024 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.995 0.414 -14.804 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.954 -1.691 -14.549 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.059 -1.541 -15.543 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.002 -4.184 -14.729 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.107 -4.034 -15.723 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.077 -5.326 -15.314 1.00 0.00 H new ATOM 373 N HIS A 29 -6.522 3.016 -16.091 1.00 0.00 N ATOM 374 CA HIS A 29 -6.623 4.463 -16.009 1.00 0.00 C ATOM 375 C HIS A 29 -7.277 4.858 -14.684 1.00 0.00 C ATOM 376 O HIS A 29 -7.935 5.894 -14.596 1.00 0.00 O ATOM 377 CB HIS A 29 -7.360 5.026 -17.226 1.00 0.00 C ATOM 378 CG HIS A 29 -6.713 4.688 -18.547 1.00 0.00 C ATOM 379 ND1 HIS A 29 -6.705 5.559 -19.623 1.00 0.00 N ATOM 380 CD2 HIS A 29 -6.052 3.567 -18.955 1.00 0.00 C ATOM 381 CE1 HIS A 29 -6.066 4.977 -20.627 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.663 3.742 -20.211 1.00 0.00 N ATOM 0 H HIS A 29 -5.572 2.660 -16.198 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.626 4.902 -16.026 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.382 4.647 -17.226 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.422 6.110 -17.131 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.875 2.686 -18.356 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.894 5.405 -21.603 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.147 3.065 -20.773 1.00 0.00 H new ATOM 390 N THR A 30 -7.074 4.011 -13.685 1.00 0.00 N ATOM 391 CA THR A 30 -7.636 4.259 -12.368 1.00 0.00 C ATOM 392 C THR A 30 -6.545 4.180 -11.299 1.00 0.00 C ATOM 393 O THR A 30 -5.487 3.595 -11.528 1.00 0.00 O ATOM 394 CB THR A 30 -8.777 3.263 -12.147 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.299 2.053 -12.729 1.00 0.00 O ATOM 396 CG2 THR A 30 -10.021 3.606 -12.967 1.00 0.00 C ATOM 0 H THR A 30 -6.528 3.153 -13.761 1.00 0.00 H new ATOM 0 HA THR A 30 -8.045 5.267 -12.295 1.00 0.00 H new ATOM 0 HB THR A 30 -9.037 3.238 -11.089 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.059 1.487 -12.979 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.799 2.868 -12.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.381 4.596 -12.686 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.771 3.599 -14.028 1.00 0.00 H new ATOM 404 N PRO A 31 -6.846 4.794 -10.124 1.00 0.00 N ATOM 405 CA PRO A 31 -5.903 4.800 -9.019 1.00 0.00 C ATOM 406 C PRO A 31 -5.855 3.433 -8.332 1.00 0.00 C ATOM 407 O PRO A 31 -6.873 2.750 -8.228 1.00 0.00 O ATOM 408 CB PRO A 31 -6.382 5.910 -8.098 1.00 0.00 C ATOM 409 CG PRO A 31 -7.830 6.174 -8.481 1.00 0.00 C ATOM 410 CD PRO A 31 -8.089 5.497 -9.817 1.00 0.00 C ATOM 0 HA PRO A 31 -4.878 4.983 -9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.303 5.612 -7.053 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.776 6.808 -8.220 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.504 5.784 -7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.017 7.245 -8.553 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.930 4.806 -9.754 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.333 6.226 -10.590 1.00 0.00 H new ATOM 418 N ILE A 32 -4.662 3.075 -7.881 1.00 0.00 N ATOM 419 CA ILE A 32 -4.468 1.802 -7.207 1.00 0.00 C ATOM 420 C ILE A 32 -5.182 1.832 -5.855 1.00 0.00 C ATOM 421 O ILE A 32 -4.675 2.407 -4.893 1.00 0.00 O ATOM 422 CB ILE A 32 -2.977 1.470 -7.108 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.322 1.472 -8.491 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.758 0.148 -6.371 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.328 0.069 -9.102 1.00 0.00 C ATOM 0 H ILE A 32 -3.820 3.644 -7.969 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.914 0.993 -7.785 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.491 2.250 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.853 2.161 -9.148 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.297 1.834 -8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.690 -0.065 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.167 0.221 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.260 -0.656 -6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.857 0.098 -10.085 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.776 -0.612 -8.455 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.356 -0.280 -9.203 1.00 0.00 H new ATOM 437 N ILE A 33 -6.349 1.205 -5.824 1.00 0.00 N ATOM 438 CA ILE A 33 -7.139 1.152 -4.606 1.00 0.00 C ATOM 439 C ILE A 33 -7.149 -0.282 -4.072 1.00 0.00 C ATOM 440 O ILE A 33 -7.131 -1.237 -4.847 1.00 0.00 O ATOM 441 CB ILE A 33 -8.535 1.728 -4.847 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.473 3.240 -5.073 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.485 1.358 -3.706 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.245 3.638 -6.333 1.00 0.00 C ATOM 0 H ILE A 33 -6.766 0.729 -6.624 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.691 1.777 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.936 1.282 -5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.889 3.758 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.434 3.555 -5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.471 1.780 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.562 0.273 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.100 1.757 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.185 4.718 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.811 3.137 -7.199 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.289 3.343 -6.228 1.00 0.00 H new ATOM 456 N VAL A 34 -7.177 -0.387 -2.751 1.00 0.00 N ATOM 457 CA VAL A 34 -7.190 -1.688 -2.104 1.00 0.00 C ATOM 458 C VAL A 34 -8.608 -2.262 -2.152 1.00 0.00 C ATOM 459 O VAL A 34 -9.580 -1.545 -1.923 1.00 0.00 O ATOM 460 CB VAL A 34 -6.640 -1.571 -0.682 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.742 -2.907 0.058 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.198 -1.059 -0.692 1.00 0.00 C ATOM 0 H VAL A 34 -7.191 0.408 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.539 -2.384 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.250 -0.844 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.344 -2.796 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.786 -3.214 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.168 -3.664 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.831 -0.985 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.570 -1.751 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.164 -0.076 -1.161 1.00 0.00 H new ATOM 472 N THR A 35 -8.680 -3.552 -2.449 1.00 0.00 N ATOM 473 CA THR A 35 -9.962 -4.230 -2.529 1.00 0.00 C ATOM 474 C THR A 35 -10.234 -5.011 -1.242 1.00 0.00 C ATOM 475 O THR A 35 -11.287 -4.854 -0.626 1.00 0.00 O ATOM 476 CB THR A 35 -9.955 -5.108 -3.782 1.00 0.00 C ATOM 477 OG1 THR A 35 -8.846 -5.981 -3.588 1.00 0.00 O ATOM 478 CG2 THR A 35 -9.595 -4.323 -5.045 1.00 0.00 C ATOM 0 H THR A 35 -7.871 -4.145 -2.637 1.00 0.00 H new ATOM 0 HA THR A 35 -10.781 -3.517 -2.618 1.00 0.00 H new ATOM 0 HB THR A 35 -10.935 -5.568 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.154 -6.911 -3.613 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.604 -4.993 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.323 -3.526 -5.198 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.601 -3.890 -4.933 1.00 0.00 H new ATOM 486 N LYS A 36 -9.265 -5.836 -0.872 1.00 0.00 N ATOM 487 CA LYS A 36 -9.386 -6.642 0.331 1.00 0.00 C ATOM 488 C LYS A 36 -8.192 -6.365 1.247 1.00 0.00 C ATOM 489 O LYS A 36 -7.155 -5.883 0.793 1.00 0.00 O ATOM 490 CB LYS A 36 -9.555 -8.119 -0.029 1.00 0.00 C ATOM 491 CG LYS A 36 -10.734 -8.736 0.727 1.00 0.00 C ATOM 492 CD LYS A 36 -10.412 -10.162 1.177 1.00 0.00 C ATOM 493 CE LYS A 36 -11.690 -10.985 1.347 1.00 0.00 C ATOM 494 NZ LYS A 36 -11.687 -12.144 0.426 1.00 0.00 N ATOM 0 H LYS A 36 -8.392 -5.964 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.284 -6.368 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.714 -8.219 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.641 -8.662 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.975 -8.123 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.617 -8.743 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.762 -10.640 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.865 -10.135 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.772 -11.332 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.561 -10.360 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.562 -12.692 0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.631 -11.807 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.866 -12.749 0.632 1.00 0.00 H new ATOM 508 N VAL A 37 -8.379 -6.680 2.520 1.00 0.00 N ATOM 509 CA VAL A 37 -7.331 -6.471 3.504 1.00 0.00 C ATOM 510 C VAL A 37 -7.365 -7.607 4.529 1.00 0.00 C ATOM 511 O VAL A 37 -8.159 -7.577 5.468 1.00 0.00 O ATOM 512 CB VAL A 37 -7.479 -5.088 4.141 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.524 -4.924 5.326 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.262 -3.982 3.106 1.00 0.00 C ATOM 0 H VAL A 37 -9.241 -7.078 2.893 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.351 -6.492 3.027 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.498 -5.000 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.650 -3.932 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.745 -5.681 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.496 -5.042 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.373 -3.009 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.260 -4.068 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.999 -4.080 2.309 1.00 0.00 H new ATOM 524 N THR A 38 -6.494 -8.582 4.313 1.00 0.00 N ATOM 525 CA THR A 38 -6.414 -9.726 5.206 1.00 0.00 C ATOM 526 C THR A 38 -6.373 -9.263 6.663 1.00 0.00 C ATOM 527 O THR A 38 -5.663 -8.316 6.998 1.00 0.00 O ATOM 528 CB THR A 38 -5.198 -10.560 4.798 1.00 0.00 C ATOM 529 OG1 THR A 38 -5.590 -11.169 3.571 1.00 0.00 O ATOM 530 CG2 THR A 38 -4.957 -11.742 5.740 1.00 0.00 C ATOM 0 H THR A 38 -5.838 -8.603 3.533 1.00 0.00 H new ATOM 0 HA THR A 38 -7.300 -10.356 5.123 1.00 0.00 H new ATOM 0 HB THR A 38 -4.312 -9.925 4.778 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.508 -10.519 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.083 -12.301 5.406 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.787 -11.373 6.751 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.829 -12.395 5.735 1.00 0.00 H new ATOM 606 N ALA A 43 -0.402 -6.229 6.304 1.00 0.00 N ATOM 607 CA ALA A 43 -1.046 -4.999 5.874 1.00 0.00 C ATOM 608 C ALA A 43 -1.812 -4.391 7.051 1.00 0.00 C ATOM 609 O ALA A 43 -1.401 -3.372 7.603 1.00 0.00 O ATOM 610 CB ALA A 43 -1.953 -5.290 4.677 1.00 0.00 C ATOM 0 HA ALA A 43 -0.303 -4.269 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.436 -4.368 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.357 -5.693 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.713 -6.017 4.965 1.00 0.00 H new ATOM 616 N GLU A 44 -2.912 -5.043 7.400 1.00 0.00 N ATOM 617 CA GLU A 44 -3.738 -4.579 8.501 1.00 0.00 C ATOM 618 C GLU A 44 -2.866 -4.223 9.707 1.00 0.00 C ATOM 619 O GLU A 44 -3.062 -3.183 10.334 1.00 0.00 O ATOM 620 CB GLU A 44 -4.790 -5.625 8.876 1.00 0.00 C ATOM 621 CG GLU A 44 -5.703 -5.110 9.990 1.00 0.00 C ATOM 622 CD GLU A 44 -5.502 -5.911 11.278 1.00 0.00 C ATOM 623 OE1 GLU A 44 -4.403 -5.783 11.861 1.00 0.00 O ATOM 624 OE2 GLU A 44 -6.451 -6.634 11.651 1.00 0.00 O ATOM 0 H GLU A 44 -3.250 -5.888 6.940 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.264 -3.680 8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.387 -5.876 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.297 -6.542 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.496 -4.056 10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.744 -5.179 9.673 1.00 0.00 H new ATOM 631 N ALA A 45 -1.921 -5.106 9.994 1.00 0.00 N ATOM 632 CA ALA A 45 -1.017 -4.898 11.113 1.00 0.00 C ATOM 633 C ALA A 45 -0.566 -3.436 11.134 1.00 0.00 C ATOM 634 O ALA A 45 -0.606 -2.785 12.177 1.00 0.00 O ATOM 635 CB ALA A 45 0.160 -5.869 11.007 1.00 0.00 C ATOM 0 H ALA A 45 -1.761 -5.967 9.471 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.523 -5.101 12.057 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.838 -5.712 11.846 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.211 -6.894 11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.693 -5.694 10.073 1.00 0.00 H new ATOM 641 N ALA A 46 -0.147 -2.962 9.969 1.00 0.00 N ATOM 642 CA ALA A 46 0.311 -1.590 9.841 1.00 0.00 C ATOM 643 C ALA A 46 -0.886 -0.644 9.962 1.00 0.00 C ATOM 644 O ALA A 46 -1.273 -0.265 11.067 1.00 0.00 O ATOM 645 CB ALA A 46 1.054 -1.421 8.514 1.00 0.00 C ATOM 0 H ALA A 46 -0.115 -3.504 9.106 1.00 0.00 H new ATOM 0 HA ALA A 46 1.010 -1.343 10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.398 -0.391 8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.911 -2.094 8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.383 -1.658 7.688 1.00 0.00 H new ATOM 651 N ASP A 47 -1.439 -0.289 8.811 1.00 0.00 N ATOM 652 CA ASP A 47 -2.583 0.605 8.775 1.00 0.00 C ATOM 653 C ASP A 47 -3.164 0.626 7.360 1.00 0.00 C ATOM 654 O ASP A 47 -3.655 1.656 6.902 1.00 0.00 O ATOM 655 CB ASP A 47 -2.177 2.034 9.141 1.00 0.00 C ATOM 656 CG ASP A 47 -3.064 2.711 10.188 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.275 2.400 10.192 1.00 0.00 O ATOM 658 OD2 ASP A 47 -2.511 3.522 10.961 1.00 0.00 O ATOM 0 H ASP A 47 -1.116 -0.605 7.897 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.317 0.243 9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.151 2.021 9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.183 2.640 8.235 1.00 0.00 H new ATOM 663 N LEU A 48 -3.089 -0.525 6.707 1.00 0.00 N ATOM 664 CA LEU A 48 -3.601 -0.652 5.353 1.00 0.00 C ATOM 665 C LEU A 48 -5.071 -1.074 5.406 1.00 0.00 C ATOM 666 O LEU A 48 -5.428 -2.000 6.132 1.00 0.00 O ATOM 667 CB LEU A 48 -2.719 -1.595 4.533 1.00 0.00 C ATOM 668 CG LEU A 48 -2.976 -1.612 3.025 1.00 0.00 C ATOM 669 CD1 LEU A 48 -2.804 -0.216 2.424 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.092 -2.649 2.329 1.00 0.00 C ATOM 0 H LEU A 48 -2.681 -1.378 7.091 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.563 0.309 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.677 -1.323 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.850 -2.607 4.915 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.011 -1.909 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.992 -0.256 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.510 0.471 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.787 0.134 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.295 -2.640 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.043 -2.408 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.307 -3.639 2.731 1.00 0.00 H new ATOM 682 N ARG A 49 -5.883 -0.374 4.627 1.00 0.00 N ATOM 683 CA ARG A 49 -7.306 -0.665 4.577 1.00 0.00 C ATOM 684 C ARG A 49 -7.792 -0.684 3.126 1.00 0.00 C ATOM 685 O ARG A 49 -7.146 -0.121 2.244 1.00 0.00 O ATOM 686 CB ARG A 49 -8.109 0.373 5.363 1.00 0.00 C ATOM 687 CG ARG A 49 -8.457 -0.146 6.759 1.00 0.00 C ATOM 688 CD ARG A 49 -8.338 0.967 7.803 1.00 0.00 C ATOM 689 NE ARG A 49 -8.621 0.428 9.152 1.00 0.00 N ATOM 690 CZ ARG A 49 -9.852 0.285 9.661 1.00 0.00 C ATOM 691 NH1 ARG A 49 -10.922 0.640 8.936 1.00 0.00 N ATOM 692 NH2 ARG A 49 -10.014 -0.213 10.894 1.00 0.00 N ATOM 0 H ARG A 49 -5.583 0.393 4.026 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.461 -1.645 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.534 1.295 5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.024 0.616 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.472 -0.544 6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.792 -0.968 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.336 1.396 7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.036 1.771 7.570 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.829 0.148 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.799 1.019 7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.859 0.531 9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.200 -0.484 11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.951 -0.322 11.281 1.00 0.00 H new ATOM 706 N PRO A 50 -8.956 -1.356 2.919 1.00 0.00 N ATOM 707 CA PRO A 50 -9.536 -1.456 1.591 1.00 0.00 C ATOM 708 C PRO A 50 -10.185 -0.134 1.175 1.00 0.00 C ATOM 709 O PRO A 50 -11.056 0.381 1.874 1.00 0.00 O ATOM 710 CB PRO A 50 -10.530 -2.603 1.681 1.00 0.00 C ATOM 711 CG PRO A 50 -10.809 -2.798 3.162 1.00 0.00 C ATOM 712 CD PRO A 50 -9.748 -2.036 3.940 1.00 0.00 C ATOM 0 HA PRO A 50 -8.791 -1.652 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.446 -2.369 1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.120 -3.511 1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.804 -2.432 3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.784 -3.857 3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.199 -1.324 4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.132 -2.711 4.535 1.00 0.00 H new ATOM 720 N GLY A 51 -9.735 0.377 0.038 1.00 0.00 N ATOM 721 CA GLY A 51 -10.261 1.629 -0.480 1.00 0.00 C ATOM 722 C GLY A 51 -9.171 2.702 -0.529 1.00 0.00 C ATOM 723 O GLY A 51 -9.254 3.639 -1.322 1.00 0.00 O ATOM 0 H GLY A 51 -9.012 -0.053 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.667 1.472 -1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.084 1.970 0.148 1.00 0.00 H new ATOM 727 N ASP A 52 -8.176 2.529 0.328 1.00 0.00 N ATOM 728 CA ASP A 52 -7.071 3.471 0.392 1.00 0.00 C ATOM 729 C ASP A 52 -6.444 3.609 -0.997 1.00 0.00 C ATOM 730 O ASP A 52 -6.070 2.614 -1.615 1.00 0.00 O ATOM 731 CB ASP A 52 -5.987 2.983 1.354 1.00 0.00 C ATOM 732 CG ASP A 52 -6.350 3.075 2.838 1.00 0.00 C ATOM 733 OD1 ASP A 52 -7.211 2.274 3.261 1.00 0.00 O ATOM 734 OD2 ASP A 52 -5.757 3.943 3.514 1.00 0.00 O ATOM 0 H ASP A 52 -8.112 1.751 0.984 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.461 4.426 0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.752 1.945 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.081 3.563 1.181 1.00 0.00 H new ATOM 739 N ILE A 53 -6.348 4.852 -1.446 1.00 0.00 N ATOM 740 CA ILE A 53 -5.772 5.134 -2.750 1.00 0.00 C ATOM 741 C ILE A 53 -4.248 5.202 -2.626 1.00 0.00 C ATOM 742 O ILE A 53 -3.712 6.129 -2.022 1.00 0.00 O ATOM 743 CB ILE A 53 -6.397 6.395 -3.351 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.881 6.180 -3.653 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.621 6.856 -4.587 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.580 7.511 -3.939 1.00 0.00 C ATOM 0 H ILE A 53 -6.659 5.675 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.000 4.329 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.331 7.194 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.989 5.517 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.360 5.688 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.086 7.754 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.590 7.076 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.633 6.067 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.634 7.330 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.491 8.163 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.114 7.989 -4.800 1.00 0.00 H new ATOM 758 N ILE A 54 -3.594 4.207 -3.208 1.00 0.00 N ATOM 759 CA ILE A 54 -2.143 4.142 -3.170 1.00 0.00 C ATOM 760 C ILE A 54 -1.565 5.235 -4.071 1.00 0.00 C ATOM 761 O ILE A 54 -1.675 5.160 -5.294 1.00 0.00 O ATOM 762 CB ILE A 54 -1.660 2.734 -3.525 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.751 1.803 -2.314 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.249 2.771 -4.115 1.00 0.00 C ATOM 765 CD1 ILE A 54 -2.048 0.366 -2.749 1.00 0.00 C ATOM 0 H ILE A 54 -4.042 3.440 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.779 4.334 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.319 2.329 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.814 1.832 -1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.534 2.152 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.070 1.758 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.249 3.379 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.438 3.203 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.108 -0.275 -1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.997 0.337 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.251 0.012 -3.403 1.00 0.00 H new ATOM 777 N VAL A 55 -0.960 6.226 -3.432 1.00 0.00 N ATOM 778 CA VAL A 55 -0.364 7.333 -4.159 1.00 0.00 C ATOM 779 C VAL A 55 0.984 6.893 -4.734 1.00 0.00 C ATOM 780 O VAL A 55 1.266 7.123 -5.909 1.00 0.00 O ATOM 781 CB VAL A 55 -0.255 8.559 -3.250 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.338 9.853 -4.062 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.325 8.528 -2.157 1.00 0.00 C ATOM 0 H VAL A 55 -0.870 6.285 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.996 7.623 -4.998 1.00 0.00 H new ATOM 0 HB VAL A 55 0.721 8.530 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.258 10.709 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.477 9.881 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.292 9.892 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.225 9.410 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.314 8.520 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.200 7.631 -1.550 1.00 0.00 H new ATOM 793 N ALA A 56 1.780 6.269 -3.879 1.00 0.00 N ATOM 794 CA ALA A 56 3.091 5.794 -4.287 1.00 0.00 C ATOM 795 C ALA A 56 3.323 4.394 -3.716 1.00 0.00 C ATOM 796 O ALA A 56 2.522 3.903 -2.923 1.00 0.00 O ATOM 797 CB ALA A 56 4.159 6.793 -3.835 1.00 0.00 C ATOM 0 H ALA A 56 1.542 6.081 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 56 3.152 5.720 -5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.143 6.437 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.966 7.764 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.130 6.891 -2.750 1.00 0.00 H new ATOM 803 N ILE A 57 4.424 3.791 -4.141 1.00 0.00 N ATOM 804 CA ILE A 57 4.771 2.457 -3.682 1.00 0.00 C ATOM 805 C ILE A 57 6.237 2.439 -3.244 1.00 0.00 C ATOM 806 O ILE A 57 7.138 2.377 -4.079 1.00 0.00 O ATOM 807 CB ILE A 57 4.437 1.417 -4.753 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.932 1.375 -5.026 1.00 0.00 C ATOM 809 CG2 ILE A 57 4.989 0.042 -4.374 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.597 0.332 -6.094 1.00 0.00 C ATOM 0 H ILE A 57 5.087 4.202 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 57 4.173 2.187 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 57 4.925 1.715 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.398 1.142 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.590 2.357 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.737 -0.678 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.072 0.101 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.551 -0.278 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.521 0.323 -6.269 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.113 0.582 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.918 -0.653 -5.754 1.00 0.00 H new ATOM 822 N ASN A 58 6.430 2.494 -1.934 1.00 0.00 N ATOM 823 CA ASN A 58 7.771 2.485 -1.375 1.00 0.00 C ATOM 824 C ASN A 58 8.449 3.826 -1.663 1.00 0.00 C ATOM 825 O ASN A 58 9.643 3.988 -1.416 1.00 0.00 O ATOM 826 CB ASN A 58 8.623 1.380 -2.004 1.00 0.00 C ATOM 827 CG ASN A 58 9.302 0.531 -0.927 1.00 0.00 C ATOM 828 OD1 ASN A 58 9.515 0.959 0.195 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.628 -0.694 -1.331 1.00 0.00 N ATOM 0 H ASN A 58 5.680 2.545 -1.244 1.00 0.00 H new ATOM 0 HA ASN A 58 7.687 2.310 -0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.997 0.745 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.379 1.823 -2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.085 -1.339 -0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.421 -0.988 -2.285 1.00 0.00 H new ATOM 836 N GLY A 59 7.657 4.753 -2.181 1.00 0.00 N ATOM 837 CA GLY A 59 8.165 6.075 -2.505 1.00 0.00 C ATOM 838 C GLY A 59 8.034 6.361 -4.003 1.00 0.00 C ATOM 839 O GLY A 59 8.216 7.496 -4.440 1.00 0.00 O ATOM 0 H GLY A 59 6.667 4.615 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.617 6.828 -1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.211 6.150 -2.207 1.00 0.00 H new ATOM 843 N GLN A 60 7.720 5.311 -4.748 1.00 0.00 N ATOM 844 CA GLN A 60 7.563 5.435 -6.187 1.00 0.00 C ATOM 845 C GLN A 60 6.098 5.704 -6.539 1.00 0.00 C ATOM 846 O GLN A 60 5.223 4.897 -6.229 1.00 0.00 O ATOM 847 CB GLN A 60 8.079 4.186 -6.904 1.00 0.00 C ATOM 848 CG GLN A 60 7.715 4.217 -8.390 1.00 0.00 C ATOM 849 CD GLN A 60 8.970 4.274 -9.262 1.00 0.00 C ATOM 850 OE1 GLN A 60 9.523 3.264 -9.666 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.389 5.508 -9.527 1.00 0.00 N ATOM 0 H GLN A 60 7.570 4.371 -4.382 1.00 0.00 H new ATOM 0 HA GLN A 60 8.160 6.281 -6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.161 4.119 -6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.655 3.295 -6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.132 3.332 -8.644 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.086 5.083 -8.596 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.879 6.310 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.220 5.652 -10.100 1.00 0.00 H new ATOM 860 N SER A 61 5.877 6.840 -7.183 1.00 0.00 N ATOM 861 CA SER A 61 4.533 7.225 -7.582 1.00 0.00 C ATOM 862 C SER A 61 3.767 6.002 -8.088 1.00 0.00 C ATOM 863 O SER A 61 4.349 5.112 -8.706 1.00 0.00 O ATOM 864 CB SER A 61 4.568 8.312 -8.658 1.00 0.00 C ATOM 865 OG SER A 61 4.593 9.621 -8.094 1.00 0.00 O ATOM 0 H SER A 61 6.605 7.507 -7.439 1.00 0.00 H new ATOM 0 HA SER A 61 4.021 7.631 -6.710 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.447 8.171 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.695 8.212 -9.303 1.00 0.00 H new ATOM 0 HG SER A 61 4.617 10.287 -8.813 1.00 0.00 H new ATOM 871 N ALA A 62 2.472 5.996 -7.807 1.00 0.00 N ATOM 872 CA ALA A 62 1.620 4.897 -8.226 1.00 0.00 C ATOM 873 C ALA A 62 0.489 5.439 -9.102 1.00 0.00 C ATOM 874 O ALA A 62 -0.420 4.700 -9.476 1.00 0.00 O ATOM 875 CB ALA A 62 1.099 4.156 -6.993 1.00 0.00 C ATOM 0 H ALA A 62 1.992 6.736 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 62 2.184 4.180 -8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.460 3.331 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.940 3.765 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.525 4.843 -6.371 1.00 0.00 H new ATOM 881 N GLU A 63 0.582 6.726 -9.404 1.00 0.00 N ATOM 882 CA GLU A 63 -0.422 7.376 -10.228 1.00 0.00 C ATOM 883 C GLU A 63 -0.488 6.713 -11.606 1.00 0.00 C ATOM 884 O GLU A 63 -1.574 6.478 -12.135 1.00 0.00 O ATOM 885 CB GLU A 63 -0.142 8.875 -10.354 1.00 0.00 C ATOM 886 CG GLU A 63 -1.172 9.693 -9.571 1.00 0.00 C ATOM 887 CD GLU A 63 -2.131 10.416 -10.518 1.00 0.00 C ATOM 888 OE1 GLU A 63 -3.085 9.751 -10.978 1.00 0.00 O ATOM 889 OE2 GLU A 63 -1.890 11.619 -10.761 1.00 0.00 O ATOM 0 H GLU A 63 1.338 7.336 -9.092 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.392 7.261 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.859 9.094 -9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.164 9.166 -11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.736 9.036 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.661 10.420 -8.940 1.00 0.00 H new ATOM 896 N ASN A 64 0.687 6.430 -12.148 1.00 0.00 N ATOM 897 CA ASN A 64 0.777 5.798 -13.453 1.00 0.00 C ATOM 898 C ASN A 64 1.390 4.405 -13.300 1.00 0.00 C ATOM 899 O ASN A 64 2.393 4.091 -13.940 1.00 0.00 O ATOM 900 CB ASN A 64 1.670 6.607 -14.396 1.00 0.00 C ATOM 901 CG ASN A 64 2.988 6.983 -13.715 1.00 0.00 C ATOM 902 OD1 ASN A 64 3.031 7.369 -12.559 1.00 0.00 O ATOM 903 ND2 ASN A 64 4.057 6.849 -14.495 1.00 0.00 N ATOM 0 H ASN A 64 1.585 6.627 -11.707 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.229 5.740 -13.869 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.874 6.027 -15.296 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.148 7.511 -14.711 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.984 7.075 -14.133 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.950 6.520 -15.455 1.00 0.00 H new ATOM 910 N MET A 65 0.762 3.607 -12.449 1.00 0.00 N ATOM 911 CA MET A 65 1.234 2.255 -12.204 1.00 0.00 C ATOM 912 C MET A 65 0.217 1.222 -12.695 1.00 0.00 C ATOM 913 O MET A 65 -0.941 1.240 -12.280 1.00 0.00 O ATOM 914 CB MET A 65 1.475 2.062 -10.706 1.00 0.00 C ATOM 915 CG MET A 65 2.935 2.346 -10.345 1.00 0.00 C ATOM 916 SD MET A 65 3.278 1.769 -8.691 1.00 0.00 S ATOM 917 CE MET A 65 4.975 2.296 -8.524 1.00 0.00 C ATOM 0 H MET A 65 -0.070 3.871 -11.921 1.00 0.00 H new ATOM 0 HA MET A 65 2.165 2.110 -12.752 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.821 2.726 -10.140 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.218 1.042 -10.421 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.597 1.852 -11.056 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.134 3.415 -10.415 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.618 1.423 -8.415 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.271 2.856 -9.411 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.074 2.931 -7.644 1.00 0.00 H new ATOM 927 N LEU A 66 0.687 0.346 -13.571 1.00 0.00 N ATOM 928 CA LEU A 66 -0.167 -0.692 -14.123 1.00 0.00 C ATOM 929 C LEU A 66 -0.503 -1.705 -13.027 1.00 0.00 C ATOM 930 O LEU A 66 0.263 -1.877 -12.080 1.00 0.00 O ATOM 931 CB LEU A 66 0.480 -1.316 -15.361 1.00 0.00 C ATOM 932 CG LEU A 66 1.051 -0.335 -16.386 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.345 -0.873 -16.999 1.00 0.00 C ATOM 934 CD2 LEU A 66 0.011 0.010 -17.454 1.00 0.00 C ATOM 0 H LEU A 66 1.648 0.334 -13.912 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.111 -0.268 -14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.283 -1.976 -15.033 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.262 -1.940 -15.859 1.00 0.00 H new ATOM 0 HG LEU A 66 1.301 0.591 -15.869 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.730 -0.156 -17.724 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.084 -1.026 -16.213 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.145 -1.821 -17.498 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.443 0.709 -18.170 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.293 -0.899 -17.973 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.859 0.466 -16.981 1.00 0.00 H new ATOM 946 N HIS A 67 -1.649 -2.350 -13.193 1.00 0.00 N ATOM 947 CA HIS A 67 -2.095 -3.343 -12.229 1.00 0.00 C ATOM 948 C HIS A 67 -1.000 -4.392 -12.028 1.00 0.00 C ATOM 949 O HIS A 67 -0.959 -5.062 -10.998 1.00 0.00 O ATOM 950 CB HIS A 67 -3.430 -3.954 -12.659 1.00 0.00 C ATOM 951 CG HIS A 67 -4.124 -4.739 -11.571 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.126 -4.202 -10.782 1.00 0.00 N ATOM 953 CD2 HIS A 67 -3.950 -6.025 -11.150 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.530 -5.131 -9.928 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.799 -6.260 -10.158 1.00 0.00 N ATOM 0 H HIS A 67 -2.282 -2.205 -13.980 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.273 -2.866 -11.265 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.092 -3.156 -12.996 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.260 -4.609 -13.514 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.492 -3.252 -10.847 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.241 -6.732 -11.556 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.302 -5.015 -9.181 1.00 0.00 H new ATOM 963 N ALA A 68 -0.138 -4.501 -13.029 1.00 0.00 N ATOM 964 CA ALA A 68 0.954 -5.457 -12.975 1.00 0.00 C ATOM 965 C ALA A 68 2.186 -4.783 -12.367 1.00 0.00 C ATOM 966 O ALA A 68 3.033 -5.450 -11.774 1.00 0.00 O ATOM 967 CB ALA A 68 1.223 -6.006 -14.378 1.00 0.00 C ATOM 0 H ALA A 68 -0.174 -3.943 -13.882 1.00 0.00 H new ATOM 0 HA ALA A 68 0.692 -6.303 -12.339 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.043 -6.723 -14.337 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.327 -6.500 -14.753 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.491 -5.186 -15.044 1.00 0.00 H new ATOM 973 N GLU A 69 2.246 -3.470 -12.534 1.00 0.00 N ATOM 974 CA GLU A 69 3.360 -2.699 -12.009 1.00 0.00 C ATOM 975 C GLU A 69 3.299 -2.652 -10.481 1.00 0.00 C ATOM 976 O GLU A 69 4.238 -3.072 -9.806 1.00 0.00 O ATOM 977 CB GLU A 69 3.377 -1.288 -12.600 1.00 0.00 C ATOM 978 CG GLU A 69 3.822 -1.313 -14.064 1.00 0.00 C ATOM 979 CD GLU A 69 5.121 -0.529 -14.256 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.047 0.717 -14.197 1.00 0.00 O ATOM 981 OE2 GLU A 69 6.161 -1.194 -14.458 1.00 0.00 O ATOM 0 H GLU A 69 1.541 -2.921 -13.026 1.00 0.00 H new ATOM 0 HA GLU A 69 4.287 -3.191 -12.302 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.383 -0.847 -12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.051 -0.656 -12.022 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.965 -2.344 -14.387 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.040 -0.887 -14.693 1.00 0.00 H new ATOM 988 N ALA A 70 2.185 -2.139 -9.980 1.00 0.00 N ATOM 989 CA ALA A 70 1.990 -2.032 -8.544 1.00 0.00 C ATOM 990 C ALA A 70 2.065 -3.426 -7.918 1.00 0.00 C ATOM 991 O ALA A 70 2.531 -3.579 -6.790 1.00 0.00 O ATOM 992 CB ALA A 70 0.657 -1.336 -8.260 1.00 0.00 C ATOM 0 H ALA A 70 1.408 -1.793 -10.543 1.00 0.00 H new ATOM 0 HA ALA A 70 2.776 -1.426 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.511 -1.256 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.666 -0.339 -8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.157 -1.917 -8.694 1.00 0.00 H new ATOM 998 N GLN A 71 1.599 -4.406 -8.678 1.00 0.00 N ATOM 999 CA GLN A 71 1.608 -5.782 -8.212 1.00 0.00 C ATOM 1000 C GLN A 71 3.044 -6.301 -8.114 1.00 0.00 C ATOM 1001 O GLN A 71 3.426 -6.892 -7.105 1.00 0.00 O ATOM 1002 CB GLN A 71 0.763 -6.675 -9.123 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.709 -6.648 -8.707 1.00 0.00 C ATOM 1004 CD GLN A 71 -0.897 -7.262 -7.319 1.00 0.00 C ATOM 1005 OE1 GLN A 71 -0.011 -7.890 -6.764 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.099 -7.046 -6.790 1.00 0.00 N ATOM 0 H GLN A 71 1.213 -4.274 -9.613 1.00 0.00 H new ATOM 0 HA GLN A 71 1.164 -5.810 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.859 -6.340 -10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.137 -7.698 -9.083 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.072 -5.620 -8.706 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.307 -7.196 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.796 -6.511 -7.309 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.323 -7.415 -5.866 1.00 0.00 H new ATOM 1015 N SER A 72 3.800 -6.061 -9.175 1.00 0.00 N ATOM 1016 CA SER A 72 5.185 -6.496 -9.221 1.00 0.00 C ATOM 1017 C SER A 72 5.993 -5.787 -8.132 1.00 0.00 C ATOM 1018 O SER A 72 6.604 -6.436 -7.285 1.00 0.00 O ATOM 1019 CB SER A 72 5.800 -6.231 -10.596 1.00 0.00 C ATOM 1020 OG SER A 72 7.211 -6.435 -10.599 1.00 0.00 O ATOM 0 H SER A 72 3.479 -5.571 -10.010 1.00 0.00 H new ATOM 0 HA SER A 72 5.212 -7.571 -9.042 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.337 -6.888 -11.333 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.581 -5.207 -10.900 1.00 0.00 H new ATOM 0 HG SER A 72 7.565 -6.257 -11.495 1.00 0.00 H new ATOM 1026 N LYS A 73 5.970 -4.463 -8.191 1.00 0.00 N ATOM 1027 CA LYS A 73 6.693 -3.659 -7.220 1.00 0.00 C ATOM 1028 C LYS A 73 6.408 -4.187 -5.813 1.00 0.00 C ATOM 1029 O LYS A 73 7.327 -4.571 -5.092 1.00 0.00 O ATOM 1030 CB LYS A 73 6.360 -2.176 -7.400 1.00 0.00 C ATOM 1031 CG LYS A 73 7.436 -1.469 -8.227 1.00 0.00 C ATOM 1032 CD LYS A 73 6.893 -1.059 -9.597 1.00 0.00 C ATOM 1033 CE LYS A 73 7.648 0.152 -10.147 1.00 0.00 C ATOM 1034 NZ LYS A 73 6.852 0.829 -11.195 1.00 0.00 N ATOM 0 H LYS A 73 5.463 -3.928 -8.895 1.00 0.00 H new ATOM 0 HA LYS A 73 7.768 -3.743 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.393 -2.074 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.274 -1.698 -6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.789 -0.587 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.294 -2.129 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.982 -1.894 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.832 -0.824 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.864 0.851 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.606 -0.166 -10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.380 1.649 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.667 0.165 -11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.949 1.150 -10.792 1.00 0.00 H new ATOM 1048 N ILE A 74 5.129 -4.189 -5.464 1.00 0.00 N ATOM 1049 CA ILE A 74 4.712 -4.664 -4.156 1.00 0.00 C ATOM 1050 C ILE A 74 5.386 -6.006 -3.866 1.00 0.00 C ATOM 1051 O ILE A 74 6.068 -6.156 -2.853 1.00 0.00 O ATOM 1052 CB ILE A 74 3.185 -4.710 -4.065 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.613 -3.330 -3.732 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.727 -5.776 -3.067 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.196 -3.176 -4.288 1.00 0.00 C ATOM 0 H ILE A 74 4.369 -3.869 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 74 5.034 -3.971 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 74 2.793 -4.994 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.601 -3.188 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.257 -2.555 -4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.638 -5.788 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.087 -6.753 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.129 -5.547 -2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.812 -2.187 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.215 -3.294 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.549 -3.937 -3.852 1.00 0.00 H new ATOM 1067 N ARG A 75 5.172 -6.948 -4.773 1.00 0.00 N ATOM 1068 CA ARG A 75 5.751 -8.272 -4.627 1.00 0.00 C ATOM 1069 C ARG A 75 7.260 -8.170 -4.398 1.00 0.00 C ATOM 1070 O ARG A 75 7.781 -8.700 -3.418 1.00 0.00 O ATOM 1071 CB ARG A 75 5.487 -9.128 -5.868 1.00 0.00 C ATOM 1072 CG ARG A 75 5.596 -10.618 -5.539 1.00 0.00 C ATOM 1073 CD ARG A 75 6.345 -11.370 -6.642 1.00 0.00 C ATOM 1074 NE ARG A 75 6.437 -12.807 -6.302 1.00 0.00 N ATOM 1075 CZ ARG A 75 7.381 -13.332 -5.508 1.00 0.00 C ATOM 1076 NH1 ARG A 75 8.318 -12.542 -4.968 1.00 0.00 N ATOM 1077 NH2 ARG A 75 7.387 -14.648 -5.255 1.00 0.00 N ATOM 0 H ARG A 75 4.606 -6.820 -5.612 1.00 0.00 H new ATOM 0 HA ARG A 75 5.281 -8.746 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.494 -8.910 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.202 -8.871 -6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.115 -10.747 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.599 -11.041 -5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.829 -11.245 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.344 -10.952 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 75 5.739 -13.437 -6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.314 -11.540 -5.161 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.036 -12.942 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.674 -15.250 -5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.105 -15.048 -4.651 1.00 0.00 H new ATOM 1091 N GLN A 76 7.922 -7.485 -5.320 1.00 0.00 N ATOM 1092 CA GLN A 76 9.361 -7.306 -5.231 1.00 0.00 C ATOM 1093 C GLN A 76 9.712 -6.413 -4.039 1.00 0.00 C ATOM 1094 O GLN A 76 10.884 -6.255 -3.702 1.00 0.00 O ATOM 1095 CB GLN A 76 9.924 -6.731 -6.532 1.00 0.00 C ATOM 1096 CG GLN A 76 9.627 -7.657 -7.714 1.00 0.00 C ATOM 1097 CD GLN A 76 10.911 -8.019 -8.462 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.878 -8.497 -7.892 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.867 -7.766 -9.767 1.00 0.00 N ATOM 0 H GLN A 76 7.488 -7.047 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 76 9.820 -8.282 -5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.490 -5.748 -6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.001 -6.591 -6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.142 -8.565 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.930 -7.170 -8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.025 -7.365 -10.181 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.675 -7.973 -10.354 1.00 0.00 H new ATOM 1108 N SER A 77 8.675 -5.852 -3.435 1.00 0.00 N ATOM 1109 CA SER A 77 8.859 -4.978 -2.289 1.00 0.00 C ATOM 1110 C SER A 77 9.177 -5.809 -1.044 1.00 0.00 C ATOM 1111 O SER A 77 8.526 -6.820 -0.785 1.00 0.00 O ATOM 1112 CB SER A 77 7.619 -4.116 -2.049 1.00 0.00 C ATOM 1113 OG SER A 77 7.959 -2.774 -1.710 1.00 0.00 O ATOM 0 H SER A 77 7.704 -5.986 -3.718 1.00 0.00 H new ATOM 0 HA SER A 77 9.696 -4.312 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.998 -4.117 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.024 -4.553 -1.247 1.00 0.00 H new ATOM 0 HG SER A 77 7.463 -2.155 -2.286 1.00 0.00 H new ATOM 1119 N ALA A 78 10.179 -5.352 -0.307 1.00 0.00 N ATOM 1120 CA ALA A 78 10.591 -6.040 0.905 1.00 0.00 C ATOM 1121 C ALA A 78 9.915 -5.387 2.112 1.00 0.00 C ATOM 1122 O ALA A 78 9.041 -4.536 1.954 1.00 0.00 O ATOM 1123 CB ALA A 78 12.117 -6.019 1.010 1.00 0.00 C ATOM 0 H ALA A 78 10.718 -4.514 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 78 10.280 -7.084 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.426 -6.535 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.548 -6.520 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.465 -4.987 1.042 1.00 0.00 H new ATOM 1129 N SER A 79 10.345 -5.811 3.292 1.00 0.00 N ATOM 1130 CA SER A 79 9.792 -5.279 4.525 1.00 0.00 C ATOM 1131 C SER A 79 10.846 -4.440 5.252 1.00 0.00 C ATOM 1132 O SER A 79 12.018 -4.809 5.293 1.00 0.00 O ATOM 1133 CB SER A 79 9.290 -6.402 5.434 1.00 0.00 C ATOM 1134 OG SER A 79 8.599 -5.898 6.574 1.00 0.00 O ATOM 0 H SER A 79 11.070 -6.517 3.419 1.00 0.00 H new ATOM 0 HA SER A 79 8.942 -4.645 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.627 -7.057 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.135 -7.009 5.761 1.00 0.00 H new ATOM 0 HG SER A 79 8.723 -6.510 7.329 1.00 0.00 H new ATOM 1140 N PRO A 80 10.378 -3.297 5.821 1.00 0.00 N ATOM 1141 CA PRO A 80 8.974 -2.933 5.725 1.00 0.00 C ATOM 1142 C PRO A 80 8.636 -2.415 4.326 1.00 0.00 C ATOM 1143 O PRO A 80 9.527 -2.021 3.574 1.00 0.00 O ATOM 1144 CB PRO A 80 8.763 -1.891 6.811 1.00 0.00 C ATOM 1145 CG PRO A 80 10.147 -1.371 7.165 1.00 0.00 C ATOM 1146 CD PRO A 80 11.170 -2.324 6.568 1.00 0.00 C ATOM 0 HA PRO A 80 8.308 -3.783 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.121 -1.084 6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.276 -2.328 7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.288 -0.364 6.772 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.267 -1.311 8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.868 -1.798 5.917 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.761 -2.808 7.345 1.00 0.00 H new ATOM 1154 N LEU A 81 7.348 -2.433 4.018 1.00 0.00 N ATOM 1155 CA LEU A 81 6.881 -1.970 2.722 1.00 0.00 C ATOM 1156 C LEU A 81 6.135 -0.646 2.897 1.00 0.00 C ATOM 1157 O LEU A 81 5.021 -0.621 3.419 1.00 0.00 O ATOM 1158 CB LEU A 81 6.054 -3.056 2.032 1.00 0.00 C ATOM 1159 CG LEU A 81 5.012 -2.566 1.024 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.682 -2.065 -0.257 1.00 0.00 C ATOM 1161 CD2 LEU A 81 3.972 -3.651 0.739 1.00 0.00 C ATOM 0 H LEU A 81 6.612 -2.761 4.644 1.00 0.00 H new ATOM 0 HA LEU A 81 7.725 -1.775 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.736 -3.734 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.543 -3.638 2.799 1.00 0.00 H new ATOM 0 HG LEU A 81 4.483 -1.720 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.919 -1.723 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.352 -1.239 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.252 -2.876 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.243 -3.277 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.467 -4.531 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.463 -3.919 1.665 1.00 0.00 H new ATOM 1173 N ARG A 82 6.779 0.423 2.451 1.00 0.00 N ATOM 1174 CA ARG A 82 6.190 1.747 2.551 1.00 0.00 C ATOM 1175 C ARG A 82 5.187 1.970 1.417 1.00 0.00 C ATOM 1176 O ARG A 82 5.497 1.721 0.252 1.00 0.00 O ATOM 1177 CB ARG A 82 7.265 2.834 2.493 1.00 0.00 C ATOM 1178 CG ARG A 82 7.224 3.714 3.743 1.00 0.00 C ATOM 1179 CD ARG A 82 7.916 5.055 3.493 1.00 0.00 C ATOM 1180 NE ARG A 82 7.096 5.886 2.584 1.00 0.00 N ATOM 1181 CZ ARG A 82 7.511 7.037 2.038 1.00 0.00 C ATOM 1182 NH1 ARG A 82 8.739 7.501 2.307 1.00 0.00 N ATOM 1183 NH2 ARG A 82 6.698 7.724 1.224 1.00 0.00 N ATOM 0 H ARG A 82 7.703 0.399 2.020 1.00 0.00 H new ATOM 0 HA ARG A 82 5.677 1.810 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.248 2.373 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.117 3.450 1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.189 3.885 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.711 3.199 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.068 5.577 4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.902 4.889 3.058 1.00 0.00 H new ATOM 0 HE ARG A 82 6.155 5.562 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.357 6.978 2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.055 8.377 1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.763 7.371 1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.014 8.600 0.808 1.00 0.00 H new ATOM 1197 N LEU A 83 4.006 2.435 1.796 1.00 0.00 N ATOM 1198 CA LEU A 83 2.957 2.694 0.826 1.00 0.00 C ATOM 1199 C LEU A 83 2.236 3.992 1.195 1.00 0.00 C ATOM 1200 O LEU A 83 1.649 4.097 2.270 1.00 0.00 O ATOM 1201 CB LEU A 83 2.026 1.486 0.709 1.00 0.00 C ATOM 1202 CG LEU A 83 2.630 0.232 0.073 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.699 -0.970 0.239 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.990 0.480 -1.394 1.00 0.00 C ATOM 0 H LEU A 83 3.753 2.639 2.763 1.00 0.00 H new ATOM 0 HA LEU A 83 3.383 2.837 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.671 1.228 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.153 1.780 0.126 1.00 0.00 H new ATOM 0 HG LEU A 83 3.556 -0.004 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.152 -1.848 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.536 -1.160 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.744 -0.760 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.417 -0.427 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.092 0.755 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.717 1.289 -1.458 1.00 0.00 H new ATOM 1216 N GLN A 84 2.304 4.950 0.281 1.00 0.00 N ATOM 1217 CA GLN A 84 1.665 6.237 0.497 1.00 0.00 C ATOM 1218 C GLN A 84 0.201 6.183 0.055 1.00 0.00 C ATOM 1219 O GLN A 84 -0.088 5.985 -1.124 1.00 0.00 O ATOM 1220 CB GLN A 84 2.418 7.351 -0.232 1.00 0.00 C ATOM 1221 CG GLN A 84 1.985 8.728 0.276 1.00 0.00 C ATOM 1222 CD GLN A 84 2.167 9.794 -0.807 1.00 0.00 C ATOM 1223 OE1 GLN A 84 2.545 9.514 -1.933 1.00 0.00 O ATOM 1224 NE2 GLN A 84 1.878 11.029 -0.405 1.00 0.00 N ATOM 0 H GLN A 84 2.792 4.860 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 84 1.694 6.462 1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.491 7.226 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.232 7.280 -1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.940 8.693 0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.570 8.995 1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.567 11.194 0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.968 11.811 -1.054 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.683 6.365 1.024 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.110 6.340 0.749 1.00 0.00 C ATOM 1235 C LEU A 85 -2.647 7.772 0.734 1.00 0.00 C ATOM 1236 O LEU A 85 -2.202 8.614 1.512 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.831 5.424 1.741 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.140 4.094 2.049 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.833 3.371 3.206 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.051 3.219 0.797 1.00 0.00 C ATOM 0 H LEU A 85 -0.439 6.530 2.001 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.300 5.917 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.963 5.967 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.827 5.212 1.352 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.119 4.305 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.322 2.429 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.800 3.997 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.871 3.172 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.556 2.280 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.055 3.013 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.479 3.740 0.029 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.596 8.005 -0.161 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.198 9.321 -0.289 1.00 0.00 C ATOM 1254 C ASP A 86 -5.534 9.340 0.457 1.00 0.00 C ATOM 1255 O ASP A 86 -6.539 8.846 -0.050 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.471 9.662 -1.755 1.00 0.00 C ATOM 1257 CG ASP A 86 -4.083 11.083 -2.171 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.891 11.274 -2.497 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.987 11.946 -2.154 1.00 0.00 O ATOM 0 H ASP A 86 -3.963 7.304 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.504 10.051 0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.930 8.955 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.533 9.518 -1.954 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.501 9.917 1.650 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.697 10.007 2.470 1.00 0.00 C ATOM 1266 C ARG A 87 -7.192 11.453 2.530 1.00 0.00 C ATOM 1267 O ARG A 87 -6.615 12.282 3.231 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.428 9.508 3.892 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.690 8.901 4.508 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.415 8.379 5.919 1.00 0.00 C ATOM 1271 NE ARG A 87 -7.646 9.453 6.911 1.00 0.00 N ATOM 1272 CZ ARG A 87 -7.778 9.244 8.228 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -7.702 8.000 8.719 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -7.986 10.279 9.053 1.00 0.00 N ATOM 0 H ARG A 87 -4.665 10.326 2.068 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.460 9.377 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.633 8.763 3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.078 10.334 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.480 9.652 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.051 8.087 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.063 7.529 6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.387 8.022 5.990 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.709 10.413 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.544 7.212 8.090 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.802 7.840 9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.044 11.226 8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.087 10.120 10.055 1.00 0.00 H new ATOM 1288 N SER A 88 -8.256 11.712 1.784 1.00 0.00 N ATOM 1289 CA SER A 88 -8.836 13.044 1.743 1.00 0.00 C ATOM 1290 C SER A 88 -10.273 13.005 2.266 1.00 0.00 C ATOM 1291 O SER A 88 -11.221 12.961 1.483 1.00 0.00 O ATOM 1292 CB SER A 88 -8.802 13.615 0.325 1.00 0.00 C ATOM 1293 OG SER A 88 -9.157 14.995 0.297 1.00 0.00 O ATOM 0 H SER A 88 -8.732 11.022 1.203 1.00 0.00 H new ATOM 0 HA SER A 88 -8.241 13.696 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.803 13.489 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.486 13.052 -0.309 1.00 0.00 H new ATOM 0 HG SER A 88 -9.122 15.323 -0.626 1.00 0.00 H new